data_wwPDB_remediated_restraints_file_for_PDB_entry_1lae

# This wwPDB archive file contains, for PDB entry 1lae:
#
# - Sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the NMR restraints share the same atom names as in the coordinate 
# file, and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in
# collaboration with the PDBe (formerly MSD) group at the European
# Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud
# University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, 
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for 
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396.

#######################
#  Entry information  #
#######################

save_entry_information
   _Entry.Sf_category                  entry_information
   _Entry.Sf_framecode                 entry_information
   _Entry.ID                           rr_1lae
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 1lae'
   _Entry.Version_type                 original
   _Entry.NMR_STAR_version             3.1.0.8
   _Entry.Experimental_method          NMR
   _Entry.Experimental_method_subtype  solution
   _Entry.Details                      'Contains the remediated restraint lists and coordinates for PDB entry 1lae'
   _Entry.PDB_coordinate_file_version  3.20

   loop_
      _Related_entries.Database_name
      _Related_entries.Database_accession_code
      _Related_entries.Relationship
      _Related_entries.Entry_ID

     PDB   1lae   'Master copy'   rr_1lae    

   stop_

save_

#############################################
#  Molecular system (assembly) description  #
#############################################

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_1lae
   _Assembly.ID                    1
   _Assembly.Name                  1lae
   _Assembly.Number_of_components  1
   _Assembly.Organic_ligands       0
   _Assembly.Metal_ions            0
   _Assembly.Non_standard_bonds    no
   _Assembly.Paramagnetic          no
   _Assembly.Thiol_state           'not present'
   _Assembly.Molecular_mass        4096.58628

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

     1   '5 D CP GP CP GP GP TP P P TP CP CP GP CP G 3'   1   $5__D__CP_GP_CP_GP_GP_TP__P_P_TP_CP_CP_GP_CP_G__3_   A   .   no   .   .   .   .   .   .   rr_1lae   1    

   stop_

save_

    ####################################
    #  Biological polymers and ligands #
    ####################################

save_5__D__CP_GP_CP_GP_GP_TP__P_P_TP_CP_CP_GP_CP_G__3_
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     5__D__CP_GP_CP_GP_GP_TP__P_P_TP_CP_CP_GP_CP_G__3_
   _Entity.Entry_ID                         rr_1lae
   _Entity.ID                               1
   _Entity.Name                             5__D__CP_GP_CP_GP_GP_TP__P_P_TP_CP_CP_GP_CP_G__3_
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polydeoxyribonucleotide
   _Entity.Polymer_strand_ID                A
   _Entity.Polymer_seq_one_letter_code      CGCGGTXTCCGCG
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     yes
   _Entity.Nstd_chirality                   yes
   _Entity.Nstd_linkage                     yes
   _Entity.Number_of_monomers               13
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   4096.58628

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

     1    .   DC   .   rr_1lae   1    
     2    .   DG   .   rr_1lae   1    
     3    .   DC   .   rr_1lae   1    
     4    .   DG   .   rr_1lae   1    
     5    .   DG   .   rr_1lae   1    
     6    .   DT   .   rr_1lae   1    
     7    .   P    .   rr_1lae   1    
     8    .   DT   .   rr_1lae   1    
     9    .   DC   .   rr_1lae   1    
     10   .   DC   .   rr_1lae   1    
     11   .   DG   .   rr_1lae   1    
     12   .   DC   .   rr_1lae   1    
     13   .   DG   .   rr_1lae   1    

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

     .   DC   1    1    rr_1lae   1    
     .   DG   2    2    rr_1lae   1    
     .   DC   3    3    rr_1lae   1    
     .   DG   4    4    rr_1lae   1    
     .   DG   5    5    rr_1lae   1    
     .   DT   6    6    rr_1lae   1    
     .   P    7    7    rr_1lae   1    
     .   DT   8    8    rr_1lae   1    
     .   DC   9    9    rr_1lae   1    
     .   DC   10   10   rr_1lae   1    
     .   DG   11   11   rr_1lae   1    
     .   DC   12   12   rr_1lae   1    
     .   DG   13   13   rr_1lae   1    

   stop_

save_

    #################################
    #  Polymer residues and ligands #
    #################################

save_chem_comp_P
   _Chem_comp.Sf_category     chem_comp
   _Chem_comp.Sf_framecode    chem_comp_P
   _Chem_comp.Entry_ID        rr_1lae
   _Chem_comp.ID              P
   _Chem_comp.Name            "2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE"
   _Chem_comp.Type            non-polymer
   _Chem_comp.PDB_code        P
   _Chem_comp.Formal_charge   0
   _Chem_comp.Paramagnetic    no
   _Chem_comp.Aromatic        yes
   _Chem_comp.Formula         'C13 H18 N5 O7 P'
   _Chem_comp.Formula_weight  387.28826

save_


##############################
#  Structure determinations  #
##############################

    ##########################
    #  Conformer statistics  #
    ##########################

save_conformer_statistics
   _Conformer_stat_list.Sf_category                    conformer_statistics
   _Conformer_stat_list.Sf_framecode                   conformer_statistics
   _Conformer_stat_list.Entry_ID                       rr_1lae
   _Conformer_stat_list.ID                             1
   _Conformer_stat_list.Conf_family_coord_set_ID       1
   _Conformer_stat_list.Conf_family_coord_set_label    $Original_constraints_and_structures
   _Conformer_stat_list.Conformer_submitted_total_num  1

save_

###########################
#  Constraint Statistics  #
###########################

save_constraint_statistics
   _Constraint_stat_list.Sf_framecode  constraint_statistics
   _Constraint_stat_list.Sf_category   constraint_statistics
   _Constraint_stat_list.Entry_ID      rr_1lae
   _Constraint_stat_list.ID            1

   loop_
      _Constraint_file.ID
      _Constraint_file.Constraint_filename
      _Constraint_file.Software_ID
      _Constraint_file.Software_label
      _Constraint_file.Software_name
      _Constraint_file.Block_ID
      _Constraint_file.Constraint_type
      _Constraint_file.Constraint_subtype
      _Constraint_file.Constraint_subsubtype
      _Constraint_file.Constraint_number
      _Constraint_file.Entry_ID
      _Constraint_file.Constraint_stat_list_ID

     1   1lae.mr   .   .   'MR format'   1    comment                  'Not applicable'   'Not applicable'   0     rr_1lae   1    
     1   1lae.mr   .   .   XPLOR/CNS     2    distance                 NOE                ambi               159   rr_1lae   1    
     1   1lae.mr   .   .   XPLOR/CNS     3    distance                 NOE                ambi               44    rr_1lae   1    
     1   1lae.mr   .   .   XPLOR/CNS     4    distance                 NOE                ambi               70    rr_1lae   1    
     1   1lae.mr   .   .   XPLOR/CNS     5    distance                 NOE                ambi               27    rr_1lae   1    
     1   1lae.mr   .   .   XPLOR/CNS     6    distance                 'hydrogen bond'    simple             25    rr_1lae   1    
     1   1lae.mr   .   .   n/a           7    comment                  'Not applicable'   'Not applicable'   0     rr_1lae   1    
     1   1lae.mr   .   .   XPLOR/CNS     8    'dihedral angle'         'Not applicable'   'Not applicable'   34    rr_1lae   1    
     1   1lae.mr   .   .   n/a           9    comment                  'Not applicable'   'Not applicable'   0     rr_1lae   1    
     1   1lae.mr   .   .   XPLOR/CNS     10   'dihedral angle'         'Not applicable'   'Not applicable'   65    rr_1lae   1    
     1   1lae.mr   .   .   n/a           11   comment                  'Not applicable'   'Not applicable'   0     rr_1lae   1    
     1   1lae.mr   .   .   XPLOR/CNS     12   'dihedral angle'         'Not applicable'   'Not applicable'   10    rr_1lae   1    
     1   1lae.mr   .   .   n/a           13   comment                  'Not applicable'   'Not applicable'   0     rr_1lae   1    
     1   1lae.mr   .   .   'MR format'   14   'nomenclature mapping'   'Not applicable'   'Not applicable'   0     rr_1lae   1    

   stop_

save_

save_CNS/XPLOR_distance_constraints_2
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_2
   _Gen_dist_constraint_list.Entry_ID            rr_1lae
   _Gen_dist_constraint_list.ID                  1
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            2

   loop_
      _Gen_dist_constraint_software.Software_ID
      _Gen_dist_constraint_software.Software_label
      _Gen_dist_constraint_software.Method_ID
      _Gen_dist_constraint_software.Method_label
      _Gen_dist_constraint_software.Entry_ID
      _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

     .   .   .   .   rr_1lae   1    

   stop_

   loop_
      _Gen_dist_constraint.ID
      _Gen_dist_constraint.Member_ID
      _Gen_dist_constraint.Member_logic_code
      _Gen_dist_constraint.Assembly_atom_ID_1
      _Gen_dist_constraint.Entity_assembly_ID_1
      _Gen_dist_constraint.Entity_ID_1
      _Gen_dist_constraint.Comp_index_ID_1
      _Gen_dist_constraint.Seq_ID_1
      _Gen_dist_constraint.Comp_ID_1
      _Gen_dist_constraint.Atom_ID_1
      _Gen_dist_constraint.Atom_type_1
      _Gen_dist_constraint.Atom_isotope_number_1
      _Gen_dist_constraint.Resonance_ID_1
      _Gen_dist_constraint.Assembly_atom_ID_2
      _Gen_dist_constraint.Entity_assembly_ID_2
      _Gen_dist_constraint.Entity_ID_2
      _Gen_dist_constraint.Comp_index_ID_2
      _Gen_dist_constraint.Seq_ID_2
      _Gen_dist_constraint.Comp_ID_2
      _Gen_dist_constraint.Atom_ID_2
      _Gen_dist_constraint.Atom_type_2
      _Gen_dist_constraint.Atom_isotope_number_2
      _Gen_dist_constraint.Resonance_ID_2
      _Gen_dist_constraint.Intensity_val
      _Gen_dist_constraint.Intensity_lower_val_err
      _Gen_dist_constraint.Intensity_upper_val_err
      _Gen_dist_constraint.Distance_val
      _Gen_dist_constraint.Distance_lower_bound_val
      _Gen_dist_constraint.Distance_upper_bound_val
      _Gen_dist_constraint.Contribution_fractional_val
      _Gen_dist_constraint.Spectral_peak_ID
      _Gen_dist_constraint.Spectral_peak_list_ID
      _Gen_dist_constraint.PDB_record_ID_1
      _Gen_dist_constraint.PDB_model_num_1
      _Gen_dist_constraint.PDB_strand_ID_1
      _Gen_dist_constraint.PDB_ins_code_1
      _Gen_dist_constraint.PDB_residue_no_1
      _Gen_dist_constraint.PDB_residue_name_1
      _Gen_dist_constraint.PDB_atom_name_1
      _Gen_dist_constraint.PDB_record_ID_2
      _Gen_dist_constraint.PDB_model_num_2
      _Gen_dist_constraint.PDB_strand_ID_2
      _Gen_dist_constraint.PDB_ins_code_2
      _Gen_dist_constraint.PDB_residue_no_2
      _Gen_dist_constraint.PDB_residue_name_2
      _Gen_dist_constraint.PDB_atom_name_2
      _Gen_dist_constraint.Auth_entity_assembly_ID_1
      _Gen_dist_constraint.Auth_asym_ID_1
      _Gen_dist_constraint.Auth_chain_ID_1
      _Gen_dist_constraint.Auth_seq_ID_1
      _Gen_dist_constraint.Auth_comp_ID_1
      _Gen_dist_constraint.Auth_atom_ID_1
      _Gen_dist_constraint.Auth_alt_ID_1
      _Gen_dist_constraint.Auth_atom_name_1
      _Gen_dist_constraint.Auth_entity_assembly_ID_2
      _Gen_dist_constraint.Auth_asym_ID_2
      _Gen_dist_constraint.Auth_chain_ID_2
      _Gen_dist_constraint.Auth_seq_ID_2
      _Gen_dist_constraint.Auth_comp_ID_2
      _Gen_dist_constraint.Auth_atom_ID_2
      _Gen_dist_constraint.Auth_alt_ID_2
      _Gen_dist_constraint.Auth_atom_name_2
      _Gen_dist_constraint.Entry_ID
      _Gen_dist_constraint.Gen_dist_constraint_list_ID

     1     1   .    .   1   1   1    1    DC   H2'    H   .   .   .   1   1   1    1    DC   H1'    H   .   .   .   .   .   3.91   3.08   4.74    .   .   .   .   .   A   .   1    DC   H2'    .   .   A   .   1    DC   H1'    .   .   .   1    .   H2'    .   .   .   .   .   1    .   H1'    .   .   rr_1lae   1    
     2     1   .    .   1   1   1    1    DC   H2'    H   .   .   .   1   1   1    1    DC   H6     H   .   .   .   .   .   2.00   2.00   2.32    .   .   .   .   .   A   .   1    DC   H2'    .   .   A   .   1    DC   H6     .   .   .   1    .   H2'    .   .   .   .   .   1    .   H6     .   .   rr_1lae   1    
     3     1   .    .   1   1   1    1    DC   H2'    H   .   .   .   1   1   1    1    DC   H5     H   .   .   .   .   .   4.33   3.42   5.20    .   .   .   .   .   A   .   1    DC   H2'    .   .   A   .   1    DC   H5     .   .   .   1    .   H2'    .   .   .   .   .   1    .   H5     .   .   rr_1lae   1    
     4     1   OR   .   1   1   1    1    DC   H6     H   .   .   .   1   1   1    1    DC   H5''   H   .   .   .   .   .   4.00   3.50   4.50    .   .   .   .   .   A   .   1    DC   H6     .   .   A   .   1    DC   H5''   .   .   .   1    .   H6     .   .   .   .   .   1    .   H5''   .   .   rr_1lae   1    
     4     2   OR   .   1   1   1    1    DC   H6     H   .   .   .   1   1   1    1    DC   H5'    H   .   .   .   .   .   4.00   3.50   4.50    .   .   .   .   .   A   .   1    DC   H6     .   .   A   .   1    DC   H5'    .   .   .   1    .   H6     .   .   .   .   .   1    .   H5'    .   .   rr_1lae   1    
     5     1   .    .   1   1   2    2    DG   H5''   H   .   .   .   1   1   1    1    DC   H2''   H   .   .   .   .   .   3.65   2.05   5.20    .   .   .   .   .   A   .   2    DG   H5''   .   .   A   .   1    DC   H2''   .   .   .   2    .   H5''   .   .   .   .   .   1    .   H2''   .   .   rr_1lae   1    
     6     1   .    .   1   1   1    1    DC   H1'    H   .   .   .   1   1   2    2    DG   H8     H   .   .   .   .   .   5.54   3.50   5.21    .   .   .   .   .   A   .   1    DC   H1'    .   .   A   .   2    DG   H8     .   .   .   1    .   H1'    .   .   .   .   .   2    .   H8     .   .   rr_1lae   1    
     7     1   .    .   1   1   1    1    DC   H2'    H   .   .   .   1   1   2    2    DG   H8     H   .   .   .   .   .   3.17   3.00   3.85    .   .   .   .   .   A   .   1    DC   H2'    .   .   A   .   2    DG   H8     .   .   .   1    .   H2'    .   .   .   .   .   2    .   H8     .   .   rr_1lae   1    
     8     1   .    .   1   1   1    1    DC   H2''   H   .   .   .   1   1   2    2    DG   H8     H   .   .   .   .   .   3.00   2.30   3.30    .   .   .   .   .   A   .   1    DC   H2''   .   .   A   .   2    DG   H8     .   .   .   1    .   H2''   .   .   .   .   .   2    .   H8     .   .   rr_1lae   1    
     9     1   .    .   1   1   1    1    DC   H6     H   .   .   .   1   1   2    2    DG   H8     H   .   .   .   .   .   4.50   4.00   5.40    .   .   .   .   .   A   .   1    DC   H6     .   .   A   .   2    DG   H8     .   .   .   1    .   H6     .   .   .   .   .   2    .   H8     .   .   rr_1lae   1    
     10    1   .    .   1   1   2    2    DG   H8     H   .   .   .   1   1   2    2    DG   H3'    H   .   .   .   .   .   4.99   3.94   5.20    .   .   .   .   .   A   .   2    DG   H8     .   .   A   .   2    DG   H3'    .   .   .   2    .   H8     .   .   .   .   .   2    .   H3'    .   .   rr_1lae   1    
     11    1   .    .   1   1   2    2    DG   H8     H   .   .   .   1   1   2    2    DG   H4'    H   .   .   .   .   .   4.80   4.50   5.10    .   .   .   .   .   A   .   2    DG   H8     .   .   A   .   2    DG   H4'    .   .   .   2    .   H8     .   .   .   .   .   2    .   H4'    .   .   rr_1lae   1    
     12    1   .    .   1   1   2    2    DG   H8     H   .   .   .   1   1   2    2    DG   H5'    H   .   .   .   .   .   5.00   4.70   5.30    .   .   .   .   .   A   .   2    DG   H8     .   .   A   .   2    DG   H5'    .   .   .   2    .   H8     .   .   .   .   .   2    .   H5'    .   .   rr_1lae   1    
     13    1   .    .   1   1   2    2    DG   H8     H   .   .   .   1   1   2    2    DG   H1'    H   .   .   .   .   .   4.89   3.64   5.20    .   .   .   .   .   A   .   2    DG   H8     .   .   A   .   2    DG   H1'    .   .   .   2    .   H8     .   .   .   .   .   2    .   H1'    .   .   rr_1lae   1    
     14    1   .    .   1   1   2    2    DG   H5''   H   .   .   .   1   1   2    2    DG   H8     H   .   .   .   .   .   4.76   3.75   5.20    .   .   .   .   .   A   .   2    DG   H5''   .   .   A   .   2    DG   H8     .   .   .   2    .   H5''   .   .   .   .   .   2    .   H8     .   .   rr_1lae   1    
     15    1   .    .   1   1   2    2    DG   H8     H   .   .   .   1   1   3    3    DC   H5     H   .   .   .   .   .   4.36   3.56   4.66    .   .   .   .   .   A   .   2    DG   H8     .   .   A   .   3    DC   H5     .   .   .   2    .   H8     .   .   .   .   .   3    .   H5     .   .   rr_1lae   1    
     16    1   .    .   1   1   3    3    DC   H5'    H   .   .   .   1   1   2    2    DG   H2''   H   .   .   .   .   .   3.32   3.02   3.62    .   .   .   .   .   A   .   3    DC   H5'    .   .   A   .   2    DG   H2''   .   .   .   3    .   H5'    .   .   .   .   .   2    .   H2''   .   .   rr_1lae   1    
     17    1   .    .   1   1   2    2    DG   H8     H   .   .   .   1   1   3    3    DC   H6     H   .   .   .   .   .   5.17   4.51   5.41    .   .   .   .   .   A   .   2    DG   H8     .   .   A   .   3    DC   H6     .   .   .   2    .   H8     .   .   .   .   .   3    .   H6     .   .   rr_1lae   1    
     18    1   .    .   1   1   3    3    DC   H2'    H   .   .   .   1   1   3    3    DC   H1'    H   .   .   .   .   .   2.84   2.54   3.14    .   .   .   .   .   A   .   3    DC   H2'    .   .   A   .   3    DC   H1'    .   .   .   3    .   H2'    .   .   .   .   .   3    .   H1'    .   .   rr_1lae   1    
     19    1   .    .   1   1   3    3    DC   H5     H   .   .   .   1   1   3    3    DC   H2'    H   .   .   .   .   .   4.14   3.45   4.84    .   .   .   .   .   A   .   3    DC   H5     .   .   A   .   3    DC   H2'    .   .   .   3    .   H5     .   .   .   .   .   3    .   H2'    .   .   rr_1lae   1    
     20    1   .    .   1   1   3    3    DC   H6     H   .   .   .   1   1   3    3    DC   H2''   H   .   .   .   .   .   3.55   3.25   3.85    .   .   .   .   .   A   .   3    DC   H6     .   .   A   .   3    DC   H2''   .   .   .   3    .   H6     .   .   .   .   .   3    .   H2''   .   .   rr_1lae   1    
     21    1   .    .   1   1   3    3    DC   H2'    H   .   .   .   1   1   3    3    DC   H4'    H   .   .   .   .   .   3.82   3.52   4.12    .   .   .   .   .   A   .   3    DC   H2'    .   .   A   .   3    DC   H4'    .   .   .   3    .   H2'    .   .   .   .   .   3    .   H4'    .   .   rr_1lae   1    
     22    1   .    .   1   1   3    3    DC   H2''   H   .   .   .   1   1   4    4    DG   H5''   H   .   .   .   .   .   4.09   3.67   4.81    .   .   .   .   .   A   .   3    DC   H2''   .   .   A   .   4    DG   H5''   .   .   .   3    .   H2''   .   .   .   .   .   4    .   H5''   .   .   rr_1lae   1    
     23    1   .    .   1   1   3    3    DC   H1'    H   .   .   .   1   1   4    4    DG   H8     H   .   .   .   .   .   3.92   3.60   4.21    .   .   .   .   .   A   .   3    DC   H1'    .   .   A   .   4    DG   H8     .   .   .   3    .   H1'    .   .   .   .   .   4    .   H8     .   .   rr_1lae   1    
     24    1   .    .   1   1   3    3    DC   H2'    H   .   .   .   1   1   4    4    DG   H8     H   .   .   .   .   .   3.12   2.82   3.92    .   .   .   .   .   A   .   3    DC   H2'    .   .   A   .   4    DG   H8     .   .   .   3    .   H2'    .   .   .   .   .   4    .   H8     .   .   rr_1lae   1    
     25    1   .    .   1   1   3    3    DC   H2''   H   .   .   .   1   1   4    4    DG   H8     H   .   .   .   .   .   3.04   2.34   3.34    .   .   .   .   .   A   .   3    DC   H2''   .   .   A   .   4    DG   H8     .   .   .   3    .   H2''   .   .   .   .   .   4    .   H8     .   .   rr_1lae   1    
     26    1   .    .   1   1   4    4    DG   H8     H   .   .   .   1   1   3    3    DC   H3'    H   .   .   .   .   .   4.91   4.35   5.20    .   .   .   .   .   A   .   4    DG   H8     .   .   A   .   3    DC   H3'    .   .   .   4    .   H8     .   .   .   .   .   3    .   H3'    .   .   rr_1lae   1    
     27    1   .    .   1   1   3    3    DC   H6     H   .   .   .   1   1   4    4    DG   H8     H   .   .   .   .   .   4.99   4.65   5.50    .   .   .   .   .   A   .   3    DC   H6     .   .   A   .   4    DG   H8     .   .   .   3    .   H6     .   .   .   .   .   4    .   H8     .   .   rr_1lae   1    
     28    1   .    .   1   1   4    4    DG   H1'    H   .   .   .   1   1   4    4    DG   H5'    H   .   .   .   .   .   4.80   4.50   5.10    .   .   .   .   .   A   .   4    DG   H1'    .   .   A   .   4    DG   H5'    .   .   .   4    .   H1'    .   .   .   .   .   4    .   H5'    .   .   rr_1lae   1    
     29    1   .    .   1   1   4    4    DG   H1'    H   .   .   .   1   1   4    4    DG   H3'    H   .   .   .   .   .   4.13   3.91   4.36    .   .   .   .   .   A   .   4    DG   H1'    .   .   A   .   4    DG   H3'    .   .   .   4    .   H1'    .   .   .   .   .   4    .   H3'    .   .   rr_1lae   1    
     30    1   .    .   1   1   4    4    DG   H5'    H   .   .   .   1   1   4    4    DG   H3'    H   .   .   .   .   .   3.10   2.80   4.20    .   .   .   .   .   A   .   4    DG   H5'    .   .   A   .   4    DG   H3'    .   .   .   4    .   H5'    .   .   .   .   .   4    .   H3'    .   .   rr_1lae   1    
     31    1   .    .   1   1   4    4    DG   H8     H   .   .   .   1   1   4    4    DG   H3'    H   .   .   .   .   .   4.30   4.00   4.60    .   .   .   .   .   A   .   4    DG   H8     .   .   A   .   4    DG   H3'    .   .   .   4    .   H8     .   .   .   .   .   4    .   H3'    .   .   rr_1lae   1    
     32    1   OR   .   1   1   4    4    DG   H3'    H   .   .   .   1   1   4    4    DG   H2''   H   .   .   .   .   .   2.31   2.01   2.61    .   .   .   .   .   A   .   4    DG   H3'    .   .   A   .   4    DG   H2''   .   .   .   4    .   H3'    .   .   .   .   .   4    .   H2''   .   .   rr_1lae   1    
     32    2   OR   .   1   1   4    4    DG   H3'    H   .   .   .   1   1   4    4    DG   H2'    H   .   .   .   .   .   2.31   2.01   2.61    .   .   .   .   .   A   .   4    DG   H3'    .   .   A   .   4    DG   H2'    .   .   .   4    .   H3'    .   .   .   .   .   4    .   H2'    .   .   rr_1lae   1    
     33    1   .    .   1   1   4    4    DG   H1'    H   .   .   .   1   1   4    4    DG   H4'    H   .   .   .   .   .   3.23   2.93   3.53    .   .   .   .   .   A   .   4    DG   H1'    .   .   A   .   4    DG   H4'    .   .   .   4    .   H1'    .   .   .   .   .   4    .   H4'    .   .   rr_1lae   1    
     34    1   .    .   1   1   4    4    DG   H3'    H   .   .   .   1   1   4    4    DG   H4'    H   .   .   .   .   .   2.83   2.53   3.13    .   .   .   .   .   A   .   4    DG   H3'    .   .   A   .   4    DG   H4'    .   .   .   4    .   H3'    .   .   .   .   .   4    .   H4'    .   .   rr_1lae   1    
     35    1   .    .   1   1   4    4    DG   H8     H   .   .   .   1   1   4    4    DG   H4'    H   .   .   .   .   .   4.80   4.50   5.10    .   .   .   .   .   A   .   4    DG   H8     .   .   A   .   4    DG   H4'    .   .   .   4    .   H8     .   .   .   .   .   4    .   H4'    .   .   rr_1lae   1    
     36    1   .    .   1   1   4    4    DG   H5''   H   .   .   .   1   1   4    4    DG   H3'    H   .   .   .   .   .   2.50   2.20   2.80    .   .   .   .   .   A   .   4    DG   H5''   .   .   A   .   4    DG   H3'    .   .   .   4    .   H5''   .   .   .   .   .   4    .   H3'    .   .   rr_1lae   1    
     37    1   .    .   1   1   4    4    DG   H5''   H   .   .   .   1   1   4    4    DG   H8     H   .   .   .   .   .   4.80   4.30   5.30    .   .   .   .   .   A   .   4    DG   H5''   .   .   A   .   4    DG   H8     .   .   .   4    .   H5''   .   .   .   .   .   4    .   H8     .   .   rr_1lae   1    
     38    1   .    .   1   1   4    4    DG   H8     H   .   .   .   1   1   4    4    DG   H1'    H   .   .   .   .   .   3.92   3.62   4.22    .   .   .   .   .   A   .   4    DG   H8     .   .   A   .   4    DG   H1'    .   .   .   4    .   H8     .   .   .   .   .   4    .   H1'    .   .   rr_1lae   1    
     39    1   .    .   1   1   4    4    DG   H8     H   .   .   .   1   1   4    4    DG   H5'    H   .   .   .   .   .   4.82   4.47   5.17    .   .   .   .   .   A   .   4    DG   H8     .   .   A   .   4    DG   H5'    .   .   .   4    .   H8     .   .   .   .   .   4    .   H5'    .   .   rr_1lae   1    
     40    1   OR   .   1   1   4    4    DG   H1'    H   .   .   .   1   1   4    4    DG   H2''   H   .   .   .   .   .   2.50   2.20   2.80    .   .   .   .   .   A   .   4    DG   H1'    .   .   A   .   4    DG   H2''   .   .   .   4    .   H1'    .   .   .   .   .   4    .   H2''   .   .   rr_1lae   1    
     40    2   OR   .   1   1   4    4    DG   H1'    H   .   .   .   1   1   4    4    DG   H2'    H   .   .   .   .   .   2.50   2.20   2.80    .   .   .   .   .   A   .   4    DG   H1'    .   .   A   .   4    DG   H2'    .   .   .   4    .   H1'    .   .   .   .   .   4    .   H2'    .   .   rr_1lae   1    
     41    1   OR   .   1   1   4    4    DG   H5''   H   .   .   .   1   1   4    4    DG   H2''   H   .   .   .   .   .   5.24   4.07   6.41    .   .   .   .   .   A   .   4    DG   H5''   .   .   A   .   4    DG   H2''   .   .   .   4    .   H5''   .   .   .   .   .   4    .   H2''   .   .   rr_1lae   1    
     41    2   OR   .   1   1   4    4    DG   H5''   H   .   .   .   1   1   4    4    DG   H2'    H   .   .   .   .   .   5.24   4.07   6.41    .   .   .   .   .   A   .   4    DG   H5''   .   .   A   .   4    DG   H2'    .   .   .   4    .   H5''   .   .   .   .   .   4    .   H2'    .   .   rr_1lae   1    
     42    1   OR   .   1   1   4    4    DG   H8     H   .   .   .   1   1   4    4    DG   H2''   H   .   .   .   .   .   2.84   2.54   3.14    .   .   .   .   .   A   .   4    DG   H8     .   .   A   .   4    DG   H2''   .   .   .   4    .   H8     .   .   .   .   .   4    .   H2''   .   .   rr_1lae   1    
     42    2   OR   .   1   1   4    4    DG   H8     H   .   .   .   1   1   4    4    DG   H2'    H   .   .   .   .   .   2.84   2.54   3.14    .   .   .   .   .   A   .   4    DG   H8     .   .   A   .   4    DG   H2'    .   .   .   4    .   H8     .   .   .   .   .   4    .   H2'    .   .   rr_1lae   1    
     43    1   .    .   1   1   4    4    DG   H1'    H   .   .   .   1   1   5    5    DG   H8     H   .   .   .   .   .   4.16   3.85   4.47    .   .   .   .   .   A   .   4    DG   H1'    .   .   A   .   5    DG   H8     .   .   .   4    .   H1'    .   .   .   .   .   5    .   H8     .   .   rr_1lae   1    
     44    1   .    .   1   1   4    4    DG   H3'    H   .   .   .   1   1   5    5    DG   H8     H   .   .   .   .   .   4.60   4.30   4.90    .   .   .   .   .   A   .   4    DG   H3'    .   .   A   .   5    DG   H8     .   .   .   4    .   H3'    .   .   .   .   .   5    .   H8     .   .   rr_1lae   1    
     45    1   .    .   1   1   5    5    DG   H3'    H   .   .   .   1   1   5    5    DG   H1'    H   .   .   .   .   .   3.89   3.42   4.20    .   .   .   .   .   A   .   5    DG   H3'    .   .   A   .   5    DG   H1'    .   .   .   5    .   H3'    .   .   .   .   .   5    .   H1'    .   .   rr_1lae   1    
     46    1   .    .   1   1   5    5    DG   H8     H   .   .   .   1   1   5    5    DG   H3'    H   .   .   .   .   .   4.79   3.98   5.20    .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   5    DG   H3'    .   .   .   5    .   H8     .   .   .   .   .   5    .   H3'    .   .   rr_1lae   1    
     47    1   .    .   1   1   5    5    DG   H1'    H   .   .   .   1   1   5    5    DG   H4'    H   .   .   .   .   .   3.06   2.76   3.36    .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   5    DG   H4'    .   .   .   5    .   H1'    .   .   .   .   .   5    .   H4'    .   .   rr_1lae   1    
     48    1   .    .   1   1   5    5    DG   H8     H   .   .   .   1   1   5    5    DG   H4'    H   .   .   .   .   .   4.80   4.50   5.10    .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   5    DG   H4'    .   .   .   5    .   H8     .   .   .   .   .   5    .   H4'    .   .   rr_1lae   1    
     49    1   .    .   1   1   5    5    DG   H8     H   .   .   .   1   1   5    5    DG   H5''   H   .   .   .   .   .   5.04   4.32   5.20    .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   5    DG   H5''   .   .   .   5    .   H8     .   .   .   .   .   5    .   H5''   .   .   rr_1lae   1    
     50    1   OR   .   1   1   5    5    DG   H1'    H   .   .   .   1   1   5    5    DG   H2''   H   .   .   .   .   .   2.37   2.07   2.67    .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   5    DG   H2''   .   .   .   5    .   H1'    .   .   .   .   .   5    .   H2''   .   .   rr_1lae   1    
     50    2   OR   .   1   1   5    5    DG   H1'    H   .   .   .   1   1   5    5    DG   H2'    H   .   .   .   .   .   2.37   2.07   2.67    .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   5    DG   H2'    .   .   .   5    .   H1'    .   .   .   .   .   5    .   H2'    .   .   rr_1lae   1    
     51    1   .    .   1   1   5    5    DG   H4'    H   .   .   .   1   1   6    6    DT   H6     H   .   .   .   .   .   4.49   4.19   4.79    .   .   .   .   .   A   .   5    DG   H4'    .   .   A   .   6    DT   H6     .   .   .   5    .   H4'    .   .   .   .   .   6    .   H6     .   .   rr_1lae   1    
     52    1   .    .   1   1   5    5    DG   H1'    H   .   .   .   1   1   6    6    DT   H2'    H   .   .   .   .   .   3.63   3.33   3.93    .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   6    DT   H2'    .   .   .   5    .   H1'    .   .   .   .   .   6    .   H2'    .   .   rr_1lae   1    
     53    1   .    .   1   1   6    6    DT   H1'    H   .   .   .   1   1   6    6    DT   H4'    H   .   .   .   .   .   3.64   3.34   3.94    .   .   .   .   .   A   .   6    DT   H1'    .   .   A   .   6    DT   H4'    .   .   .   6    .   H1'    .   .   .   .   .   6    .   H4'    .   .   rr_1lae   1    
     54    1   .    .   1   1   6    6    DT   H2'    H   .   .   .   1   1   6    6    DT   H1'    H   .   .   .   .   .   3.19   2.89   3.49    .   .   .   .   .   A   .   6    DT   H2'    .   .   A   .   6    DT   H1'    .   .   .   6    .   H2'    .   .   .   .   .   6    .   H1'    .   .   rr_1lae   1    
     55    1   .    .   1   1   6    6    DT   H2'    H   .   .   .   1   1   6    6    DT   H4'    H   .   .   .   .   .   4.35   3.94   4.76    .   .   .   .   .   A   .   6    DT   H2'    .   .   A   .   6    DT   H4'    .   .   .   6    .   H2'    .   .   .   .   .   6    .   H4'    .   .   rr_1lae   1    
     56    1   .    .   1   1   6    6    DT   H1'    H   .   .   .   1   1   6    6    DT   H2''   H   .   .   .   .   .   2.56   2.26   2.86    .   .   .   .   .   A   .   6    DT   H1'    .   .   A   .   6    DT   H2''   .   .   .   6    .   H1'    .   .   .   .   .   6    .   H2''   .   .   rr_1lae   1    
     57    1   .    .   1   1   6    6    DT   H1'    H   .   .   .   1   1   6    6    DT   H3'    H   .   .   .   .   .   4.33   3.83   4.83    .   .   .   .   .   A   .   6    DT   H1'    .   .   A   .   6    DT   H3'    .   .   .   6    .   H1'    .   .   .   .   .   6    .   H3'    .   .   rr_1lae   1    
     58    1   .    .   1   1   6    6    DT   H2''   H   .   .   .   1   1   6    6    DT   H3'    H   .   .   .   .   .   2.81   2.51   3.11    .   .   .   .   .   A   .   6    DT   H2''   .   .   A   .   6    DT   H3'    .   .   .   6    .   H2''   .   .   .   .   .   6    .   H3'    .   .   rr_1lae   1    
     59    1   .    .   1   1   6    6    DT   H4'    H   .   .   .   1   1   6    6    DT   H3'    H   .   .   .   .   .   2.77   2.47   3.07    .   .   .   .   .   A   .   6    DT   H4'    .   .   A   .   6    DT   H3'    .   .   .   6    .   H4'    .   .   .   .   .   6    .   H3'    .   .   rr_1lae   1    
     60    1   .    .   1   1   6    6    DT   H6     H   .   .   .   1   1   6    6    DT   H5'    H   .   .   .   .   .   5.45   4.00   5.20    .   .   .   .   .   A   .   6    DT   H6     .   .   A   .   6    DT   H5'    .   .   .   6    .   H6     .   .   .   .   .   6    .   H5'    .   .   rr_1lae   1    
     61    1   .    .   1   1   6    6    DT   H6     H   .   .   .   1   1   6    6    DT   H1'    H   .   .   .   .   .   3.42   3.12   3.72    .   .   .   .   .   A   .   6    DT   H6     .   .   A   .   6    DT   H1'    .   .   .   6    .   H6     .   .   .   .   .   6    .   H1'    .   .   rr_1lae   1    
     62    1   .    .   1   1   6    6    DT   H6     H   .   .   .   1   1   6    6    DT   H4'    H   .   .   .   .   .   4.78   4.48   5.08    .   .   .   .   .   A   .   6    DT   H6     .   .   A   .   6    DT   H4'    .   .   .   6    .   H6     .   .   .   .   .   6    .   H4'    .   .   rr_1lae   1    
     63    1   .    .   1   1   5    5    DG   H1'    H   .   .   .   1   1   7    7    P    H8     H   .   .   .   .   .   3.77   3.47   4.07    .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   7    P    H8     .   .   .   5    .   H1'    .   .   .   .   .   7    .   H8     .   .   rr_1lae   1    
     64    1   .    .   1   1   6    6    DT   H1'    H   .   .   .   1   1   7    7    P    H5'    H   .   .   .   .   .   4.31   3.94   4.68    .   .   .   .   .   A   .   6    DT   H1'    .   .   A   .   7    P    H5'    .   .   .   6    .   H1'    .   .   .   .   .   7    .   H5'    .   .   rr_1lae   1    
     65    1   .    .   1   1   6    6    DT   H3'    H   .   .   .   1   1   7    7    P    H8     H   .   .   .   .   .   3.22   2.92   3.52    .   .   .   .   .   A   .   6    DT   H3'    .   .   A   .   7    P    H8     .   .   .   6    .   H3'    .   .   .   .   .   7    .   H8     .   .   rr_1lae   1    
     66    1   .    .   1   1   6    6    DT   H4'    H   .   .   .   1   1   7    7    P    H8     H   .   .   .   .   .   4.38   4.08   4.68    .   .   .   .   .   A   .   6    DT   H4'    .   .   A   .   7    P    H8     .   .   .   6    .   H4'    .   .   .   .   .   7    .   H8     .   .   rr_1lae   1    
     67    1   .    .   1   1   7    7    P    H2'    H   .   .   .   1   1   7    7    P    H1'    H   .   .   .   .   .   2.71   1.99   3.42    .   .   .   .   .   A   .   7    P    H2'    .   .   A   .   7    P    H1'    .   .   .   7    .   H2'    .   .   .   .   .   7    .   H1'    .   .   rr_1lae   1    
     68    1   .    .   1   1   7    7    P    H2'    H   .   .   .   1   1   7    7    P    H3'    H   .   .   .   .   .   2.25   1.90   2.60    .   .   .   .   .   A   .   7    P    H2'    .   .   A   .   7    P    H3'    .   .   .   7    .   H2'    .   .   .   .   .   7    .   H3'    .   .   rr_1lae   1    
     69    1   .    .   1   1   7    7    P    H3'    H   .   .   .   1   1   7    7    P    H2''   H   .   .   .   .   .   2.69   2.36   3.02    .   .   .   .   .   A   .   7    P    H3'    .   .   A   .   7    P    H2''   .   .   .   7    .   H3'    .   .   .   .   .   7    .   H2''   .   .   rr_1lae   1    
     70    1   .    .   1   1   7    7    P    H8     H   .   .   .   1   1   7    7    P    H3'    H   .   .   .   .   .   5.20   4.60   5.20    .   .   .   .   .   A   .   7    P    H8     .   .   A   .   7    P    H3'    .   .   .   7    .   H8     .   .   .   .   .   7    .   H3'    .   .   rr_1lae   1    
     71    1   .    .   1   1   7    7    P    H2'    H   .   .   .   1   1   7    7    P    H4'    H   .   .   .   .   .   4.17   3.38   4.96    .   .   .   .   .   A   .   7    P    H2'    .   .   A   .   7    P    H4'    .   .   .   7    .   H2'    .   .   .   .   .   7    .   H4'    .   .   rr_1lae   1    
     72    1   .    .   1   1   7    7    P    H3'    H   .   .   .   1   1   7    7    P    H4'    H   .   .   .   .   .   3.59   2.57   4.11    .   .   .   .   .   A   .   7    P    H3'    .   .   A   .   7    P    H4'    .   .   .   7    .   H3'    .   .   .   .   .   7    .   H4'    .   .   rr_1lae   1    
     73    1   .    .   1   1   7    7    P    H8     H   .   .   .   1   1   7    7    P    H4'    H   .   .   .   .   .   4.90   4.56   5.20    .   .   .   .   .   A   .   7    P    H8     .   .   A   .   7    P    H4'    .   .   .   7    .   H8     .   .   .   .   .   7    .   H4'    .   .   rr_1lae   1    
     74    1   .    .   1   1   7    7    P    H8     H   .   .   .   1   1   7    7    P    H5''   H   .   .   .   .   .   4.84   4.01   5.20    .   .   .   .   .   A   .   7    P    H8     .   .   A   .   7    P    H5''   .   .   .   7    .   H8     .   .   .   .   .   7    .   H5''   .   .   rr_1lae   1    
     75    1   .    .   1   1   7    7    P    H8     H   .   .   .   1   1   7    7    P    H1'    H   .   .   .   .   .   3.29   2.98   3.90    .   .   .   .   .   A   .   7    P    H8     .   .   A   .   7    P    H1'    .   .   .   7    .   H8     .   .   .   .   .   7    .   H1'    .   .   rr_1lae   1    
     76    1   .    .   1   1   8    8    DT   H1'    H   .   .   .   1   1   7    7    P    H6A2   H   .   .   .   .   .   4.00   3.50   4.50    .   .   .   .   .   A   .   8    DT   H1'    .   .   A   .   7    P    H6A2   .   .   .   8    .   H1'    .   .   .   .   .   7    .   H6A2   .   .   rr_1lae   1    
     77    1   .    .   1   1   7    7    P    H1'    H   .   .   .   1   1   8    8    DT   H4'    H   .   .   .   .   .   4.90   4.52   5.20    .   .   .   .   .   A   .   7    P    H1'    .   .   A   .   8    DT   H4'    .   .   .   7    .   H1'    .   .   .   .   .   8    .   H4'    .   .   rr_1lae   1    
     78    1   .    .   1   1   7    7    P    H1'    H   .   .   .   1   1   8    8    DT   H5'    H   .   .   .   .   .   2.96   2.60   3.33    .   .   .   .   .   A   .   7    P    H1'    .   .   A   .   8    DT   H5'    .   .   .   7    .   H1'    .   .   .   .   .   8    .   H5'    .   .   rr_1lae   1    
     79    1   .    .   1   1   7    7    P    H2''   H   .   .   .   1   1   8    8    DT   H5'    H   .   .   .   .   .   2.90   2.24   3.56    .   .   .   .   .   A   .   7    P    H2''   .   .   A   .   8    DT   H5'    .   .   .   7    .   H2''   .   .   .   .   .   8    .   H5'    .   .   rr_1lae   1    
     80    1   .    .   1   1   8    8    DT   H1'    H   .   .   .   1   1   8    8    DT   H2'    H   .   .   .   .   .   2.83   2.53   3.13    .   .   .   .   .   A   .   8    DT   H1'    .   .   A   .   8    DT   H2'    .   .   .   8    .   H1'    .   .   .   .   .   8    .   H2'    .   .   rr_1lae   1    
     81    1   .    .   1   1   8    8    DT   H2'    H   .   .   .   1   1   8    8    DT   H6     H   .   .   .   .   .   2.35   2.05   2.65    .   .   .   .   .   A   .   8    DT   H2'    .   .   A   .   8    DT   H6     .   .   .   8    .   H2'    .   .   .   .   .   8    .   H6     .   .   rr_1lae   1    
     82    1   .    .   1   1   8    8    DT   H1'    H   .   .   .   1   1   8    8    DT   H4'    H   .   .   .   .   .   3.09   2.79   3.39    .   .   .   .   .   A   .   8    DT   H1'    .   .   A   .   8    DT   H4'    .   .   .   8    .   H1'    .   .   .   .   .   8    .   H4'    .   .   rr_1lae   1    
     83    1   .    .   1   1   8    8    DT   H4'    H   .   .   .   1   1   8    8    DT   H2'    H   .   .   .   .   .   4.00   3.54   4.46    .   .   .   .   .   A   .   8    DT   H4'    .   .   A   .   8    DT   H2'    .   .   .   8    .   H4'    .   .   .   .   .   8    .   H2'    .   .   rr_1lae   1    
     84    1   .    .   1   1   8    8    DT   H4'    H   .   .   .   1   1   8    8    DT   H2''   H   .   .   .   .   .   3.50   3.11   3.89    .   .   .   .   .   A   .   8    DT   H4'    .   .   A   .   8    DT   H2''   .   .   .   8    .   H4'    .   .   .   .   .   8    .   H2''   .   .   rr_1lae   1    
     85    1   .    .   1   1   8    8    DT   H4'    H   .   .   .   1   1   8    8    DT   H6     H   .   .   .   .   .   4.45   3.62   5.20    .   .   .   .   .   A   .   8    DT   H4'    .   .   A   .   8    DT   H6     .   .   .   8    .   H4'    .   .   .   .   .   8    .   H6     .   .   rr_1lae   1    
     86    1   .    .   1   1   8    8    DT   H1'    H   .   .   .   1   1   8    8    DT   H6     H   .   .   .   .   .   4.56   3.24   5.20    .   .   .   .   .   A   .   8    DT   H1'    .   .   A   .   8    DT   H6     .   .   .   8    .   H1'    .   .   .   .   .   8    .   H6     .   .   rr_1lae   1    
     87    1   .    .   1   1   8    8    DT   H5'    H   .   .   .   1   1   8    8    DT   H6     H   .   .   .   .   .   2.99   2.58   3.40    .   .   .   .   .   A   .   8    DT   H5'    .   .   A   .   8    DT   H6     .   .   .   8    .   H5'    .   .   .   .   .   8    .   H6     .   .   rr_1lae   1    
     88    1   .    .   1   1   8    8    DT   H4'    H   .   .   .   1   1   9    9    DC   H6     H   .   .   .   .   .   3.30   3.00   3.60    .   .   .   .   .   A   .   8    DT   H4'    .   .   A   .   9    DC   H6     .   .   .   8    .   H4'    .   .   .   .   .   9    .   H6     .   .   rr_1lae   1    
     89    1   .    .   1   1   8    8    DT   H5'    H   .   .   .   1   1   9    9    DC   H1'    H   .   .   .   .   .   2.69   2.40   3.48    .   .   .   .   .   A   .   8    DT   H5'    .   .   A   .   9    DC   H1'    .   .   .   8    .   H5'    .   .   .   .   .   9    .   H1'    .   .   rr_1lae   1    
     90    1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   9    9    DC   H2'    H   .   .   .   .   .   2.31   2.01   2.61    .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   9    DC   H2'    .   .   .   9    .   H6     .   .   .   .   .   9    .   H2'    .   .   rr_1lae   1    
     91    1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   9    9    DC   H2''   H   .   .   .   .   .   3.25   2.95   3.85    .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   9    DC   H2''   .   .   .   9    .   H6     .   .   .   .   .   9    .   H2''   .   .   rr_1lae   1    
     92    1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   9    9    DC   H3'    H   .   .   .   .   .   4.00   3.70   4.30    .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   9    DC   H3'    .   .   .   9    .   H6     .   .   .   .   .   9    .   H3'    .   .   rr_1lae   1    
     93    1   .    .   1   1   9    9    DC   H1'    H   .   .   .   1   1   9    9    DC   H4'    H   .   .   .   .   .   3.12   2.82   3.42    .   .   .   .   .   A   .   9    DC   H1'    .   .   A   .   9    DC   H4'    .   .   .   9    .   H1'    .   .   .   .   .   9    .   H4'    .   .   rr_1lae   1    
     94    1   .    .   1   1   9    9    DC   H2'    H   .   .   .   1   1   9    9    DC   H4'    H   .   .   .   .   .   3.46   3.16   3.76    .   .   .   .   .   A   .   9    DC   H2'    .   .   A   .   9    DC   H4'    .   .   .   9    .   H2'    .   .   .   .   .   9    .   H4'    .   .   rr_1lae   1    
     95    1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   9    9    DC   H4'    H   .   .   .   .   .   4.80   4.50   5.10    .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   9    DC   H4'    .   .   .   9    .   H6     .   .   .   .   .   9    .   H4'    .   .   rr_1lae   1    
     96    1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   9    9    DC   H5'    H   .   .   .   .   .   4.50   4.00   5.00    .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   9    DC   H5'    .   .   .   9    .   H6     .   .   .   .   .   9    .   H5'    .   .   rr_1lae   1    
     97    1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   9    9    DC   H5''   H   .   .   .   .   .   2.85   2.55   3.15    .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   9    DC   H5''   .   .   .   9    .   H6     .   .   .   .   .   9    .   H5''   .   .   rr_1lae   1    
     98    1   .    .   1   1   9    9    DC   H2''   H   .   .   .   1   1   10   10   DC   H5     H   .   .   .   .   .   3.28   2.98   3.58    .   .   .   .   .   A   .   9    DC   H2''   .   .   A   .   10   DC   H5     .   .   .   9    .   H2''   .   .   .   .   .   10   .   H5     .   .   rr_1lae   1    
     99    1   .    .   1   1   9    9    DC   H1'    H   .   .   .   1   1   10   10   DC   H6     H   .   .   .   .   .   3.74   3.44   4.04    .   .   .   .   .   A   .   9    DC   H1'    .   .   A   .   10   DC   H6     .   .   .   9    .   H1'    .   .   .   .   .   10   .   H6     .   .   rr_1lae   1    
     100   1   .    .   1   1   9    9    DC   H2''   H   .   .   .   1   1   10   10   DC   H6     H   .   .   .   .   .   2.79   2.49   3.09    .   .   .   .   .   A   .   9    DC   H2''   .   .   A   .   10   DC   H6     .   .   .   9    .   H2''   .   .   .   .   .   10   .   H6     .   .   rr_1lae   1    
     101   1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   10   10   DC   H6     H   .   .   .   .   .   6.33   4.34   5.40    .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   10   DC   H6     .   .   .   9    .   H6     .   .   .   .   .   10   .   H6     .   .   rr_1lae   1    
     102   1   OR   .   1   1   9    9    DC   H1'    H   .   .   .   1   1   10   10   DC   H5''   H   .   .   .   .   .   5.14   4.84   5.44    .   .   .   .   .   A   .   9    DC   H1'    .   .   A   .   10   DC   H5''   .   .   .   9    .   H1'    .   .   .   .   .   10   .   H5''   .   .   rr_1lae   1    
     102   2   OR   .   1   1   9    9    DC   H1'    H   .   .   .   1   1   10   10   DC   H5'    H   .   .   .   .   .   5.14   4.84   5.44    .   .   .   .   .   A   .   9    DC   H1'    .   .   A   .   10   DC   H5'    .   .   .   9    .   H1'    .   .   .   .   .   10   .   H5'    .   .   rr_1lae   1    
     103   1   .    .   1   1   10   10   DC   H2'    H   .   .   .   1   1   10   10   DC   H1'    H   .   .   .   .   .   2.95   2.65   3.25    .   .   .   .   .   A   .   10   DC   H2'    .   .   A   .   10   DC   H1'    .   .   .   10   .   H2'    .   .   .   .   .   10   .   H1'    .   .   rr_1lae   1    
     104   1   .    .   1   1   10   10   DC   H5     H   .   .   .   1   1   10   10   DC   H2'    H   .   .   .   .   .   5.09   3.47   5.20    .   .   .   .   .   A   .   10   DC   H5     .   .   A   .   10   DC   H2'    .   .   .   10   .   H5     .   .   .   .   .   10   .   H2'    .   .   rr_1lae   1    
     105   1   .    .   1   1   10   10   DC   H6     H   .   .   .   1   1   10   10   DC   H2'    H   .   .   .   .   .   2.32   2.02   2.62    .   .   .   .   .   A   .   10   DC   H6     .   .   A   .   10   DC   H2'    .   .   .   10   .   H6     .   .   .   .   .   10   .   H2'    .   .   rr_1lae   1    
     106   1   .    .   1   1   10   10   DC   H1'    H   .   .   .   1   1   10   10   DC   H2''   H   .   .   .   .   .   2.19   1.89   2.49    .   .   .   .   .   A   .   10   DC   H1'    .   .   A   .   10   DC   H2''   .   .   .   10   .   H1'    .   .   .   .   .   10   .   H2''   .   .   rr_1lae   1    
     107   1   .    .   1   1   10   10   DC   H1'    H   .   .   .   1   1   10   10   DC   H3'    H   .   .   .   .   .   4.18   3.84   4.52    .   .   .   .   .   A   .   10   DC   H1'    .   .   A   .   10   DC   H3'    .   .   .   10   .   H1'    .   .   .   .   .   10   .   H3'    .   .   rr_1lae   1    
     108   1   .    .   1   1   10   10   DC   H2'    H   .   .   .   1   1   10   10   DC   H3'    H   .   .   .   .   .   2.34   2.04   2.64    .   .   .   .   .   A   .   10   DC   H2'    .   .   A   .   10   DC   H3'    .   .   .   10   .   H2'    .   .   .   .   .   10   .   H3'    .   .   rr_1lae   1    
     109   1   .    .   1   1   10   10   DC   H2''   H   .   .   .   1   1   10   10   DC   H3'    H   .   .   .   .   .   2.73   2.43   3.03    .   .   .   .   .   A   .   10   DC   H2''   .   .   A   .   10   DC   H3'    .   .   .   10   .   H2''   .   .   .   .   .   10   .   H3'    .   .   rr_1lae   1    
     110   1   .    .   1   1   10   10   DC   H6     H   .   .   .   1   1   10   10   DC   H3'    H   .   .   .   .   .   3.67   3.37   3.97    .   .   .   .   .   A   .   10   DC   H6     .   .   A   .   10   DC   H3'    .   .   .   10   .   H6     .   .   .   .   .   10   .   H3'    .   .   rr_1lae   1    
     111   1   .    .   1   1   10   10   DC   H2'    H   .   .   .   1   1   10   10   DC   H4'    H   .   .   .   .   .   3.56   3.26   3.86    .   .   .   .   .   A   .   10   DC   H2'    .   .   A   .   10   DC   H4'    .   .   .   10   .   H2'    .   .   .   .   .   10   .   H4'    .   .   rr_1lae   1    
     112   1   .    .   1   1   10   10   DC   H6     H   .   .   .   1   1   10   10   DC   H4'    H   .   .   .   .   .   4.54   4.24   4.84    .   .   .   .   .   A   .   10   DC   H6     .   .   A   .   10   DC   H4'    .   .   .   10   .   H6     .   .   .   .   .   10   .   H4'    .   .   rr_1lae   1    
     113   1   .    .   1   1   10   10   DC   H6     H   .   .   .   1   1   10   10   DC   H1'    H   .   .   .   .   .   3.41   3.11   3.71    .   .   .   .   .   A   .   10   DC   H6     .   .   A   .   10   DC   H1'    .   .   .   10   .   H6     .   .   .   .   .   10   .   H1'    .   .   rr_1lae   1    
     114   1   OR   .   1   1   10   10   DC   H5''   H   .   .   .   1   1   10   10   DC   H2''   H   .   .   .   .   .   4.44   3.40   5.48    .   .   .   .   .   A   .   10   DC   H5''   .   .   A   .   10   DC   H2''   .   .   .   10   .   H5''   .   .   .   .   .   10   .   H2''   .   .   rr_1lae   1    
     114   2   OR   .   1   1   10   10   DC   H5'    H   .   .   .   1   1   10   10   DC   H2''   H   .   .   .   .   .   4.44   3.40   5.48    .   .   .   .   .   A   .   10   DC   H5'    .   .   A   .   10   DC   H2''   .   .   .   10   .   H5'    .   .   .   .   .   10   .   H2''   .   .   rr_1lae   1    
     115   1   OR   .   1   1   10   10   DC   H6     H   .   .   .   1   1   10   10   DC   H5''   H   .   .   .   .   .   5.15   4.76   5.54    .   .   .   .   .   A   .   10   DC   H6     .   .   A   .   10   DC   H5''   .   .   .   10   .   H6     .   .   .   .   .   10   .   H5''   .   .   rr_1lae   1    
     115   2   OR   .   1   1   10   10   DC   H6     H   .   .   .   1   1   10   10   DC   H5'    H   .   .   .   .   .   5.15   4.76   5.54    .   .   .   .   .   A   .   10   DC   H6     .   .   A   .   10   DC   H5'    .   .   .   10   .   H6     .   .   .   .   .   10   .   H5'    .   .   rr_1lae   1    
     116   1   .    .   1   1   10   10   DC   H1'    H   .   .   .   1   1   11   11   DG   H8     H   .   .   .   .   .   4.03   3.73   4.33    .   .   .   .   .   A   .   10   DC   H1'    .   .   A   .   11   DG   H8     .   .   .   10   .   H1'    .   .   .   .   .   11   .   H8     .   .   rr_1lae   1    
     117   1   .    .   1   1   10   10   DC   H2'    H   .   .   .   1   1   11   11   DG   H8     H   .   .   .   .   .   3.57   3.27   3.87    .   .   .   .   .   A   .   10   DC   H2'    .   .   A   .   11   DG   H8     .   .   .   10   .   H2'    .   .   .   .   .   11   .   H8     .   .   rr_1lae   1    
     118   1   .    .   1   1   10   10   DC   H2''   H   .   .   .   1   1   11   11   DG   H8     H   .   .   .   .   .   2.60   2.30   2.90    .   .   .   .   .   A   .   10   DC   H2''   .   .   A   .   11   DG   H8     .   .   .   10   .   H2''   .   .   .   .   .   11   .   H8     .   .   rr_1lae   1    
     119   1   .    .   1   1   10   10   DC   H6     H   .   .   .   1   1   11   11   DG   H8     H   .   .   .   .   .   4.90   4.60   5.40    .   .   .   .   .   A   .   10   DC   H6     .   .   A   .   11   DG   H8     .   .   .   10   .   H6     .   .   .   .   .   11   .   H8     .   .   rr_1lae   1    
     120   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   11   11   DG   H3'    H   .   .   .   .   .   4.79   3.92   5.20    .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   11   DG   H3'    .   .   .   11   .   H8     .   .   .   .   .   11   .   H3'    .   .   rr_1lae   1    
     121   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   11   11   DG   H4'    H   .   .   .   .   .   4.50   4.00   5.00    .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   11   DG   H4'    .   .   .   11   .   H8     .   .   .   .   .   11   .   H4'    .   .   rr_1lae   1    
     122   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   11   11   DG   H1'    H   .   .   .   .   .   3.89   3.25   4.20    .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   11   DG   H1'    .   .   .   11   .   H8     .   .   .   .   .   11   .   H1'    .   .   rr_1lae   1    
     123   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   12   12   DC   H5     H   .   .   .   .   .   4.14   3.84   4.44    .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   12   DC   H5     .   .   .   11   .   H8     .   .   .   .   .   12   .   H5     .   .   rr_1lae   1    
     124   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   12   12   DC   H6     H   .   .   .   .   .   4.82   4.44   5.40    .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   12   DC   H6     .   .   .   11   .   H8     .   .   .   .   .   12   .   H6     .   .   rr_1lae   1    
     125   1   .    .   1   1   12   12   DC   H2'    H   .   .   .   1   1   12   12   DC   H1'    H   .   .   .   .   .   3.33   2.97   3.70    .   .   .   .   .   A   .   12   DC   H2'    .   .   A   .   12   DC   H1'    .   .   .   12   .   H2'    .   .   .   .   .   12   .   H1'    .   .   rr_1lae   1    
     126   1   .    .   1   1   12   12   DC   H5     H   .   .   .   1   1   12   12   DC   H2'    H   .   .   .   .   .   4.18   3.75   4.61    .   .   .   .   .   A   .   12   DC   H5     .   .   A   .   12   DC   H2'    .   .   .   12   .   H5     .   .   .   .   .   12   .   H2'    .   .   rr_1lae   1    
     127   1   .    .   1   1   12   12   DC   H3'    H   .   .   .   1   1   12   12   DC   H2''   H   .   .   .   .   .   2.84   2.54   3.14    .   .   .   .   .   A   .   12   DC   H3'    .   .   A   .   12   DC   H2''   .   .   .   12   .   H3'    .   .   .   .   .   12   .   H2''   .   .   rr_1lae   1    
     128   1   .    .   1   1   12   12   DC   H2'    H   .   .   .   1   1   12   12   DC   H4'    H   .   .   .   .   .   4.04   3.70   4.38    .   .   .   .   .   A   .   12   DC   H2'    .   .   A   .   12   DC   H4'    .   .   .   12   .   H2'    .   .   .   .   .   12   .   H4'    .   .   rr_1lae   1    
     129   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   12   12   DC   H5'    H   .   .   .   .   .   4.70   4.08   5.20    .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   12   DC   H5'    .   .   .   12   .   H6     .   .   .   .   .   12   .   H5'    .   .   rr_1lae   1    
     130   1   .    .   1   1   12   12   DC   H1'    H   .   .   .   1   1   13   13   DG   H8     H   .   .   .   .   .   4.92   4.67   5.17    .   .   .   .   .   A   .   12   DC   H1'    .   .   A   .   13   DG   H8     .   .   .   12   .   H1'    .   .   .   .   .   13   .   H8     .   .   rr_1lae   1    
     131   1   .    .   1   1   12   12   DC   H2'    H   .   .   .   1   1   13   13   DG   H8     H   .   .   .   .   .   3.38   3.08   4.18    .   .   .   .   .   A   .   12   DC   H2'    .   .   A   .   13   DG   H8     .   .   .   12   .   H2'    .   .   .   .   .   13   .   H8     .   .   rr_1lae   1    
     132   1   .    .   1   1   13   13   DG   H2'    H   .   .   .   1   1   13   13   DG   H1'    H   .   .   .   .   .   3.20   2.90   3.50    .   .   .   .   .   A   .   13   DG   H2'    .   .   A   .   13   DG   H1'    .   .   .   13   .   H2'    .   .   .   .   .   13   .   H1'    .   .   rr_1lae   1    
     133   1   .    .   1   1   13   13   DG   H8     H   .   .   .   1   1   13   13   DG   H3'    H   .   .   .   .   .   4.50   4.20   4.80    .   .   .   .   .   A   .   13   DG   H8     .   .   A   .   13   DG   H3'    .   .   .   13   .   H8     .   .   .   .   .   13   .   H3'    .   .   rr_1lae   1    
     134   1   .    .   1   1   13   13   DG   H1'    H   .   .   .   1   1   13   13   DG   H4'    H   .   .   .   .   .   3.46   3.16   3.76    .   .   .   .   .   A   .   13   DG   H1'    .   .   A   .   13   DG   H4'    .   .   .   13   .   H1'    .   .   .   .   .   13   .   H4'    .   .   rr_1lae   1    
     135   1   .    .   1   1   13   13   DG   H8     H   .   .   .   1   1   13   13   DG   H1'    H   .   .   .   .   .   4.86   3.56   5.20    .   .   .   .   .   A   .   13   DG   H8     .   .   A   .   13   DG   H1'    .   .   .   13   .   H8     .   .   .   .   .   13   .   H1'    .   .   rr_1lae   1    
     136   1   .    .   1   1   8    8    DT   H1'    H   .   .   .   1   1   9    9    DC   H6     H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   8    DT   H1'    .   .   A   .   9    DC   H6     .   .   .   8    .   H1'    .   .   .   .   .   9    .   H6     .   .   rr_1lae   1    
     137   1   .    .   1   1   8    8    DT   H2'    H   .   .   .   1   1   9    9    DC   H6     H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   8    DT   H2'    .   .   A   .   9    DC   H6     .   .   .   8    .   H2'    .   .   .   .   .   9    .   H6     .   .   rr_1lae   1    
     138   1   .    .   1   1   8    8    DT   H2''   H   .   .   .   1   1   9    9    DC   H6     H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   8    DT   H2''   .   .   A   .   9    DC   H6     .   .   .   8    .   H2''   .   .   .   .   .   9    .   H6     .   .   rr_1lae   1    
     139   1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   8    8    DT   H3'    H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   8    DT   H3'    .   .   .   9    .   H6     .   .   .   .   .   8    .   H3'    .   .   rr_1lae   1    
     140   1   .    .   1   1   8    8    DT   H1'    H   .   .   .   1   1   9    9    DC   H5     H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   8    DT   H1'    .   .   A   .   9    DC   H5     .   .   .   8    .   H1'    .   .   .   .   .   9    .   H5     .   .   rr_1lae   1    
     141   1   .    .   1   1   8    8    DT   H2'    H   .   .   .   1   1   9    9    DC   H5     H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   8    DT   H2'    .   .   A   .   9    DC   H5     .   .   .   8    .   H2'    .   .   .   .   .   9    .   H5     .   .   rr_1lae   1    
     142   1   .    .   1   1   8    8    DT   H2''   H   .   .   .   1   1   9    9    DC   H5     H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   8    DT   H2''   .   .   A   .   9    DC   H5     .   .   .   8    .   H2''   .   .   .   .   .   9    .   H5     .   .   rr_1lae   1    
     143   1   .    .   1   1   5    5    DG   H1'    H   .   .   .   1   1   6    6    DT   H5'    H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   6    DT   H5'    .   .   .   5    .   H1'    .   .   .   .   .   6    .   H5'    .   .   rr_1lae   1    
     144   1   .    .   1   1   5    5    DG   H1'    H   .   .   .   1   1   7    7    P    H5'    H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   7    P    H5'    .   .   .   5    .   H1'    .   .   .   .   .   7    .   H5'    .   .   rr_1lae   1    
     145   1   .    .   1   1   5    5    DG   H1'    H   .   .   .   1   1   7    7    P    H3'    H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   7    P    H3'    .   .   .   5    .   H1'    .   .   .   .   .   7    .   H3'    .   .   rr_1lae   1    
     146   1   .    .   1   1   5    5    DG   H1'    H   .   .   .   1   1   7    7    P    H2'    H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   7    P    H2'    .   .   .   5    .   H1'    .   .   .   .   .   7    .   H2'    .   .   rr_1lae   1    
     147   1   .    .   1   1   5    5    DG   H8     H   .   .   .   1   1   7    7    P    H3'    H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   7    P    H3'    .   .   .   5    .   H8     .   .   .   .   .   7    .   H3'    .   .   rr_1lae   1    
     148   1   .    .   1   1   5    5    DG   H8     H   .   .   .   1   1   6    6    DT   H3'    H   .   .   .   .   .   5.00   5.00   15.00   .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   6    DT   H3'    .   .   .   5    .   H8     .   .   .   .   .   6    .   H3'    .   .   rr_1lae   1    

   stop_

   loop_
      _Gen_dist_constraint_comment_org.ID
      _Gen_dist_constraint_comment_org.Comment_text
      _Gen_dist_constraint_comment_org.Comment_begin_line
      _Gen_dist_constraint_comment_org.Comment_begin_column
      _Gen_dist_constraint_comment_org.Comment_end_line
      _Gen_dist_constraint_comment_org.Comment_end_column
      _Gen_dist_constraint_comment_org.Entry_ID
      _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID

     1    'Class 1 Distance Restraints'                                                                             1     1    1     30   rr_1lae   1    
     2    man                                                                                                       7     81   7     86   rr_1lae   1    
     3    lb-1.0                                                                                                    9     81   9     90   rr_1lae   1    
     4    ub+0.5                                                                                                    10    81   10    90   rr_1lae   1    
     5    lb-0.5                                                                                                    11    81   11    90   rr_1lae   1    
     6    man                                                                                                       12    81   12    86   rr_1lae   1    
     7    man                                                                                                       14    81   14    87   rr_1lae   1    
     8    man                                                                                                       15    81   15    88   rr_1lae   1    
     9    lb-0.5                                                                                                    16    81   16    90   rr_1lae   1    
     10   lb-0.5                                                                                                    18    81   18    90   rr_1lae   1    
     11   "assign ( resid 3 and name H2'' )( resid 3 and name H5 ) 6.45 0.69 0.69 ! sd"                             23    1    23    88   rr_1lae   1    
     12   ub+0.3                                                                                                    26    81   26    90   rr_1lae   1    
     13   -1                                                                                                        27    81   27    86   rr_1lae   1    
     14   ub+0.5                                                                                                    28    81   28    90   rr_1lae   1    
     15   lb-0.5                                                                                                    29    81   29    90   rr_1lae   1    
     16   man                                                                                                       32    81   32    87   rr_1lae   1    
     17   ub+0.8                                                                                                    34    81   34    90   rr_1lae   1    
     18   man                                                                                                       40    81   40    87   rr_1lae   1    
     19   man                                                                                                       42    81   42    88   rr_1lae   1    
     20   man                                                                                                       52    81   52    88   rr_1lae   1    
     21   -1                                                                                                        53    81   53    85   rr_1lae   1    
     22   man                                                                                                       56    81   56    87   rr_1lae   1    
     23   man                                                                                                       62    81   62    88   rr_1lae   1    
     24   -1                                                                                                        68    81   68    86   rr_1lae   1    
     25   -0.6                                                                                                      70    81   70    87   rr_1lae   1    
     26   "assign ( resid 7 and name H8 )( resid 6 and name H1' ) 6.41 0.32 0.32 ! sd"                              77    1    77    87   rr_1lae   1    
     27   lb-0.5                                                                                                    85    81   85    90   rr_1lae   1    
     28   
;
ub+0.3
assign ( resid 7 and name H4' )( resid 8 and name H5# ) 7.35 0.48 0.47 ! sd
;
                  88    81   89    88   rr_1lae   1    
     29   '! man***'                                                                                                90    81   90    92   rr_1lae   1    
     30   +1                                                                                                        92    81   92    86   rr_1lae   1    
     31   
;
+1
assign ( resid 8 and name H6 )( resid 7 and name H8 ) 4.60 0.60 0.60 ! man
;
                       93    81   94    89   rr_1lae   1    
     32   ub+0.3                                                                                                    97    81   97    90   rr_1lae   1    
     33   lb-0.5                                                                                                    98    81   98    90   rr_1lae   1    
     34   ub+0.5                                                                                                    110   81   110   90   rr_1lae   1    
     35   +0.5                                                                                                      112   81   112   88   rr_1lae   1    
     36   man                                                                                                       113   81   113   86   rr_1lae   1    
     37   man                                                                                                       116   81   116   86   rr_1lae   1    
     38   man                                                                                                       117   81   117   86   rr_1lae   1    
     39   +0.5                                                                                                      134   81   134   88   rr_1lae   1    
     40   -0.5                                                                                                      142   81   142   88   rr_1lae   1    
     41   man                                                                                                       145   81   145   88   rr_1lae   1    
     42   -1                                                                                                        146   81   146   86   rr_1lae   1    
     43   ub+0.50                                                                                                   155   81   155   92   rr_1lae   1    
     44   man                                                                                                       157   81   157   88   rr_1lae   1    
     45   
;
lb-0.5
negative restraints
;
                                                                          159   81   160   22   rr_1lae   1    
     46   "assign ( resid 5 and name H1' )( resid 6 and name H1' ) 6.00 0.00 10.00"                                 168   1    168   84   rr_1lae   1    
     47   
;
assign (( resid 5 and name H2' ) or ( resid 5 and name H2'' ))
( resid 6 and name H6 ) 5.00 0.00 10.00
;
170   1    171   83   rr_1lae   1    

   stop_

   loop_
      _Gen_dist_constraint_conv_err.ID
      _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
      _Gen_dist_constraint_conv_err.Parse_file_constraint_ID
      _Gen_dist_constraint_conv_err.Conv_error_type
      _Gen_dist_constraint_conv_err.Conv_error_note
      _Gen_dist_constraint_conv_err.Entry_ID
      _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID

     1    2   52    1   "Not handling restraint 52, item 1, resonance(s) ' .6.H5#' (nmrStar names) not linked"    rr_1lae   1    
     2    2   53    1   "Not handling restraint 53, item 1, resonance(s) ' .6.H5#' (nmrStar names) not linked"    rr_1lae   1    
     3    2   65    1   "Not handling restraint 65, item 1, resonance(s) ' .6.H5#' (nmrStar names) not linked"    rr_1lae   1    
     4    2   83    1   "Not handling restraint 83, item 1, resonance(s) ' .8.H5#' (nmrStar names) not linked"    rr_1lae   1    
     5    2   84    1   "Not handling restraint 84, item 1, resonance(s) ' .8.H5#' (nmrStar names) not linked"    rr_1lae   1    
     6    2   85    1   "Not handling restraint 85, item 1, resonance(s) ' .8.H5#' (nmrStar names) not linked"    rr_1lae   1    
     7    2   86    1   "Not handling restraint 86, item 1, resonance(s) ' .8.H5#' (nmrStar names) not linked"    rr_1lae   1    
     8    2   89    1   "Not handling restraint 89, item 1, resonance(s) ' .8.H5#' (nmrStar names) not linked"    rr_1lae   1    
     9    2   96    1   "Not handling restraint 96, item 1, resonance(s) ' .8.H5#' (nmrStar names) not linked"    rr_1lae   1    
     10   2   153   1   "Not handling restraint 153, item 1, resonance(s) ' .6.H5#' (nmrStar names) not linked"   rr_1lae   1    
     11   2   153   1   "Not handling restraint 153, item 1, resonance(s) ' .6.H5#' (nmrStar names) not linked"   rr_1lae   1    
     12   2   154   1   "Not handling restraint 154, item 1, resonance(s) ' .6.H5#' (nmrStar names) not linked"   rr_1lae   1    

   stop_

save_

save_CNS/XPLOR_distance_constraints_3
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_3
   _Gen_dist_constraint_list.Entry_ID            rr_1lae
   _Gen_dist_constraint_list.ID                  2
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            3

   loop_
      _Gen_dist_constraint_software.Software_ID
      _Gen_dist_constraint_software.Software_label
      _Gen_dist_constraint_software.Method_ID
      _Gen_dist_constraint_software.Method_label
      _Gen_dist_constraint_software.Entry_ID
      _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

     .   .   .   .   rr_1lae   2    

   stop_

   loop_
      _Gen_dist_constraint.ID
      _Gen_dist_constraint.Member_ID
      _Gen_dist_constraint.Member_logic_code
      _Gen_dist_constraint.Assembly_atom_ID_1
      _Gen_dist_constraint.Entity_assembly_ID_1
      _Gen_dist_constraint.Entity_ID_1
      _Gen_dist_constraint.Comp_index_ID_1
      _Gen_dist_constraint.Seq_ID_1
      _Gen_dist_constraint.Comp_ID_1
      _Gen_dist_constraint.Atom_ID_1
      _Gen_dist_constraint.Atom_type_1
      _Gen_dist_constraint.Atom_isotope_number_1
      _Gen_dist_constraint.Resonance_ID_1
      _Gen_dist_constraint.Assembly_atom_ID_2
      _Gen_dist_constraint.Entity_assembly_ID_2
      _Gen_dist_constraint.Entity_ID_2
      _Gen_dist_constraint.Comp_index_ID_2
      _Gen_dist_constraint.Seq_ID_2
      _Gen_dist_constraint.Comp_ID_2
      _Gen_dist_constraint.Atom_ID_2
      _Gen_dist_constraint.Atom_type_2
      _Gen_dist_constraint.Atom_isotope_number_2
      _Gen_dist_constraint.Resonance_ID_2
      _Gen_dist_constraint.Intensity_val
      _Gen_dist_constraint.Intensity_lower_val_err
      _Gen_dist_constraint.Intensity_upper_val_err
      _Gen_dist_constraint.Distance_val
      _Gen_dist_constraint.Distance_lower_bound_val
      _Gen_dist_constraint.Distance_upper_bound_val
      _Gen_dist_constraint.Contribution_fractional_val
      _Gen_dist_constraint.Spectral_peak_ID
      _Gen_dist_constraint.Spectral_peak_list_ID
      _Gen_dist_constraint.PDB_record_ID_1
      _Gen_dist_constraint.PDB_model_num_1
      _Gen_dist_constraint.PDB_strand_ID_1
      _Gen_dist_constraint.PDB_ins_code_1
      _Gen_dist_constraint.PDB_residue_no_1
      _Gen_dist_constraint.PDB_residue_name_1
      _Gen_dist_constraint.PDB_atom_name_1
      _Gen_dist_constraint.PDB_record_ID_2
      _Gen_dist_constraint.PDB_model_num_2
      _Gen_dist_constraint.PDB_strand_ID_2
      _Gen_dist_constraint.PDB_ins_code_2
      _Gen_dist_constraint.PDB_residue_no_2
      _Gen_dist_constraint.PDB_residue_name_2
      _Gen_dist_constraint.PDB_atom_name_2
      _Gen_dist_constraint.Auth_entity_assembly_ID_1
      _Gen_dist_constraint.Auth_asym_ID_1
      _Gen_dist_constraint.Auth_chain_ID_1
      _Gen_dist_constraint.Auth_seq_ID_1
      _Gen_dist_constraint.Auth_comp_ID_1
      _Gen_dist_constraint.Auth_atom_ID_1
      _Gen_dist_constraint.Auth_alt_ID_1
      _Gen_dist_constraint.Auth_atom_name_1
      _Gen_dist_constraint.Auth_entity_assembly_ID_2
      _Gen_dist_constraint.Auth_asym_ID_2
      _Gen_dist_constraint.Auth_chain_ID_2
      _Gen_dist_constraint.Auth_seq_ID_2
      _Gen_dist_constraint.Auth_comp_ID_2
      _Gen_dist_constraint.Auth_atom_ID_2
      _Gen_dist_constraint.Auth_alt_ID_2
      _Gen_dist_constraint.Auth_atom_name_2
      _Gen_dist_constraint.Entry_ID
      _Gen_dist_constraint.Gen_dist_constraint_list_ID

     1    1   .    .   1   1   1    1    DC   H1'    H   .   .   .   1   1   1    1    DC   H2''   H   .   .   .   .   .   2.28   1.98   2.58   .   .   .   .   .   A   .   1    DC   H1'    .   .   A   .   1    DC   H2''   .   .   .   1    .   H1'    .   .   .   .   .   1    .   H2''   .   .   rr_1lae   2    
     2    1   .    .   1   1   1    1    DC   H6     H   .   .   .   1   1   1    1    DC   H2''   H   .   .   .   .   .   3.10   1.74   4.45   .   .   .   .   .   A   .   1    DC   H6     .   .   A   .   1    DC   H2''   .   .   .   1    .   H6     .   .   .   .   .   1    .   H2''   .   .   rr_1lae   2    
     3    1   .    .   1   1   1    1    DC   H1'    H   .   .   .   1   1   1    1    DC   H4'    H   .   .   .   .   .   2.92   2.62   3.72   .   .   .   .   .   A   .   1    DC   H1'    .   .   A   .   1    DC   H4'    .   .   .   1    .   H1'    .   .   .   .   .   1    .   H4'    .   .   rr_1lae   2    
     4    1   .    .   1   1   1    1    DC   H1'    H   .   .   .   1   1   1    1    DC   H6     H   .   .   .   .   .   2.72   2.26   4.18   .   .   .   .   .   A   .   1    DC   H1'    .   .   A   .   1    DC   H6     .   .   .   1    .   H1'    .   .   .   .   .   1    .   H6     .   .   rr_1lae   2    
     5    1   .    .   1   1   2    2    DG   H3'    H   .   .   .   1   1   2    2    DG   H1'    H   .   .   .   .   .   4.48   3.71   5.20   .   .   .   .   .   A   .   2    DG   H3'    .   .   A   .   2    DG   H1'    .   .   .   2    .   H3'    .   .   .   .   .   2    .   H1'    .   .   rr_1lae   2    
     6    1   .    .   1   1   2    2    DG   H5''   H   .   .   .   1   1   2    2    DG   H3'    H   .   .   .   .   .   2.79   2.39   3.19   .   .   .   .   .   A   .   2    DG   H5''   .   .   A   .   2    DG   H3'    .   .   .   2    .   H5''   .   .   .   .   .   2    .   H3'    .   .   rr_1lae   2    
     7    1   .    .   1   1   2    2    DG   H4'    H   .   .   .   1   1   2    2    DG   H2'    H   .   .   .   .   .   4.30   3.62   4.98   .   .   .   .   .   A   .   2    DG   H4'    .   .   A   .   2    DG   H2'    .   .   .   2    .   H4'    .   .   .   .   .   2    .   H2'    .   .   rr_1lae   2    
     8    1   .    .   1   1   2    2    DG   H4'    H   .   .   .   1   1   2    2    DG   H2''   H   .   .   .   .   .   3.85   3.49   4.21   .   .   .   .   .   A   .   2    DG   H4'    .   .   A   .   2    DG   H2''   .   .   .   2    .   H4'    .   .   .   .   .   2    .   H2''   .   .   rr_1lae   2    
     9    1   .    .   1   1   3    3    DC   H5     H   .   .   .   1   1   2    2    DG   H2'    H   .   .   .   .   .   3.27   2.98   3.56   .   .   .   .   .   A   .   3    DC   H5     .   .   A   .   2    DG   H2'    .   .   .   3    .   H5     .   .   .   .   .   2    .   H2'    .   .   rr_1lae   2    
     10   1   .    .   1   1   3    3    DC   H5     H   .   .   .   1   1   2    2    DG   H2''   H   .   .   .   .   .   2.95   2.65   3.25   .   .   .   .   .   A   .   3    DC   H5     .   .   A   .   2    DG   H2''   .   .   .   3    .   H5     .   .   .   .   .   2    .   H2''   .   .   rr_1lae   2    
     11   1   .    .   1   1   2    2    DG   H3'    H   .   .   .   1   1   3    3    DC   H6     H   .   .   .   .   .   4.80   4.50   5.10   .   .   .   .   .   A   .   2    DG   H3'    .   .   A   .   3    DC   H6     .   .   .   2    .   H3'    .   .   .   .   .   3    .   H6     .   .   rr_1lae   2    
     12   1   .    .   1   1   3    3    DC   H6     H   .   .   .   1   1   3    3    DC   H2'    H   .   .   .   .   .   2.35   2.05   2.65   .   .   .   .   .   A   .   3    DC   H6     .   .   A   .   3    DC   H2'    .   .   .   3    .   H6     .   .   .   .   .   3    .   H2'    .   .   rr_1lae   2    
     13   1   OR   .   1   1   4    4    DG   H2''   H   .   .   .   1   1   4    4    DG   H4'    H   .   .   .   .   .   3.46   3.16   3.76   .   .   .   .   .   A   .   4    DG   H2''   .   .   A   .   4    DG   H4'    .   .   .   4    .   H2''   .   .   .   .   .   4    .   H4'    .   .   rr_1lae   2    
     13   2   OR   .   1   1   4    4    DG   H2'    H   .   .   .   1   1   4    4    DG   H4'    H   .   .   .   .   .   3.46   3.16   3.76   .   .   .   .   .   A   .   4    DG   H2'    .   .   A   .   4    DG   H4'    .   .   .   4    .   H2'    .   .   .   .   .   4    .   H4'    .   .   rr_1lae   2    
     14   1   OR   .   1   1   5    5    DG   H3'    H   .   .   .   1   1   5    5    DG   H2''   H   .   .   .   .   .   2.26   1.96   2.56   .   .   .   .   .   A   .   5    DG   H3'    .   .   A   .   5    DG   H2''   .   .   .   5    .   H3'    .   .   .   .   .   5    .   H2''   .   .   rr_1lae   2    
     14   2   OR   .   1   1   5    5    DG   H3'    H   .   .   .   1   1   5    5    DG   H2'    H   .   .   .   .   .   2.26   1.96   2.56   .   .   .   .   .   A   .   5    DG   H3'    .   .   A   .   5    DG   H2'    .   .   .   5    .   H3'    .   .   .   .   .   5    .   H2'    .   .   rr_1lae   2    
     15   1   OR   .   1   1   5    5    DG   H4'    H   .   .   .   1   1   5    5    DG   H2''   H   .   .   .   .   .   3.58   3.28   3.88   .   .   .   .   .   A   .   5    DG   H4'    .   .   A   .   5    DG   H2''   .   .   .   5    .   H4'    .   .   .   .   .   5    .   H2''   .   .   rr_1lae   2    
     15   2   OR   .   1   1   5    5    DG   H4'    H   .   .   .   1   1   5    5    DG   H2'    H   .   .   .   .   .   3.58   3.28   3.88   .   .   .   .   .   A   .   5    DG   H4'    .   .   A   .   5    DG   H2'    .   .   .   5    .   H4'    .   .   .   .   .   5    .   H2'    .   .   rr_1lae   2    
     16   1   .    .   1   1   5    5    DG   H8     H   .   .   .   1   1   5    5    DG   H1'    H   .   .   .   .   .   4.20   3.51   4.89   .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   5    DG   H1'    .   .   .   5    .   H8     .   .   .   .   .   5    .   H1'    .   .   rr_1lae   2    
     17   1   .    .   1   1   5    5    DG   H1'    H   .   .   .   1   1   6    6    DT   H6     H   .   .   .   .   .   5.43   4.07   5.20   .   .   .   .   .   A   .   5    DG   H1'    .   .   A   .   6    DT   H6     .   .   .   5    .   H1'    .   .   .   .   .   6    .   H6     .   .   rr_1lae   2    
     18   1   .    .   1   1   6    6    DT   H6     H   .   .   .   1   1   6    6    DT   H2'    H   .   .   .   .   .   2.47   2.27   2.77   .   .   .   .   .   A   .   6    DT   H6     .   .   A   .   6    DT   H2'    .   .   .   6    .   H6     .   .   .   .   .   6    .   H2'    .   .   rr_1lae   2    
     19   1   .    .   1   1   6    6    DT   H6     H   .   .   .   1   1   6    6    DT   H3'    H   .   .   .   .   .   3.96   3.34   4.21   .   .   .   .   .   A   .   6    DT   H6     .   .   A   .   6    DT   H3'    .   .   .   6    .   H6     .   .   .   .   .   6    .   H3'    .   .   rr_1lae   2    
     20   1   .    .   1   1   6    6    DT   H6     H   .   .   .   1   1   6    6    DT   H5''   H   .   .   .   .   .   3.77   3.16   4.38   .   .   .   .   .   A   .   6    DT   H6     .   .   A   .   6    DT   H5''   .   .   .   6    .   H6     .   .   .   .   .   6    .   H5''   .   .   rr_1lae   2    
     21   1   .    .   1   1   7    7    P    H8     H   .   .   .   1   1   6    6    DT   H5''   H   .   .   .   .   .   3.47   3.17   3.77   .   .   .   .   .   A   .   7    P    H8     .   .   A   .   6    DT   H5''   .   .   .   7    .   H8     .   .   .   .   .   6    .   H5''   .   .   rr_1lae   2    
     22   1   .    .   1   1   6    6    DT   H2'    H   .   .   .   1   1   7    7    P    H8     H   .   .   .   .   .   3.70   3.40   4.00   .   .   .   .   .   A   .   6    DT   H2'    .   .   A   .   7    P    H8     .   .   .   6    .   H2'    .   .   .   .   .   7    .   H8     .   .   rr_1lae   2    
     23   1   .    .   1   1   7    7    P    H8     H   .   .   .   1   1   7    7    P    H2'    H   .   .   .   .   .   2.32   2.00   2.64   .   .   .   .   .   A   .   7    P    H8     .   .   A   .   7    P    H2'    .   .   .   7    .   H8     .   .   .   .   .   7    .   H2'    .   .   rr_1lae   2    
     24   1   .    .   1   1   7    7    P    H8     H   .   .   .   1   1   7    7    P    H2''   H   .   .   .   .   .   3.20   2.70   3.90   .   .   .   .   .   A   .   7    P    H8     .   .   A   .   7    P    H2''   .   .   .   7    .   H8     .   .   .   .   .   7    .   H2''   .   .   rr_1lae   2    
     25   1   .    .   1   1   7    7    P    H5'    H   .   .   .   1   1   7    7    P    H3'    H   .   .   .   .   .   3.77   3.31   4.23   .   .   .   .   .   A   .   7    P    H5'    .   .   A   .   7    P    H3'    .   .   .   7    .   H5'    .   .   .   .   .   7    .   H3'    .   .   rr_1lae   2    
     26   1   .    .   1   1   7    7    P    H2''   H   .   .   .   1   1   7    7    P    H4'    H   .   .   .   .   .   3.89   3.58   4.20   .   .   .   .   .   A   .   7    P    H2''   .   .   A   .   7    P    H4'    .   .   .   7    .   H2''   .   .   .   .   .   7    .   H4'    .   .   rr_1lae   2    
     27   1   .    .   1   1   7    7    P    H3'    H   .   .   .   1   1   7    7    P    H5''   H   .   .   .   .   .   2.90   2.60   3.20   .   .   .   .   .   A   .   7    P    H3'    .   .   A   .   7    P    H5''   .   .   .   7    .   H3'    .   .   .   .   .   7    .   H5''   .   .   rr_1lae   2    
     28   1   .    .   1   1   9    9    DC   H1'    H   .   .   .   1   1   9    9    DC   H2'    H   .   .   .   .   .   2.75   2.45   3.05   .   .   .   .   .   A   .   9    DC   H1'    .   .   A   .   9    DC   H2'    .   .   .   9    .   H1'    .   .   .   .   .   9    .   H2'    .   .   rr_1lae   2    
     29   1   .    .   1   1   9    9    DC   H1'    H   .   .   .   1   1   9    9    DC   H2''   H   .   .   .   .   .   2.30   2.00   2.60   .   .   .   .   .   A   .   9    DC   H1'    .   .   A   .   9    DC   H2''   .   .   .   9    .   H1'    .   .   .   .   .   9    .   H2''   .   .   rr_1lae   2    
     30   1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   10   10   DC   H5     H   .   .   .   .   .   4.33   3.97   4.69   .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   10   DC   H5     .   .   .   9    .   H6     .   .   .   .   .   10   .   H5     .   .   rr_1lae   2    
     31   1   .    .   1   1   9    9    DC   H2'    H   .   .   .   1   1   10   10   DC   H6     H   .   .   .   .   .   3.71   3.41   4.01   .   .   .   .   .   A   .   9    DC   H2'    .   .   A   .   10   DC   H6     .   .   .   9    .   H2'    .   .   .   .   .   10   .   H6     .   .   rr_1lae   2    
     32   1   .    .   1   1   10   10   DC   H6     H   .   .   .   1   1   10   10   DC   H2''   H   .   .   .   .   .   2.96   2.74   4.18   .   .   .   .   .   A   .   10   DC   H6     .   .   A   .   10   DC   H2''   .   .   .   10   .   H6     .   .   .   .   .   10   .   H2''   .   .   rr_1lae   2    
     33   1   .    .   1   1   10   10   DC   H1'    H   .   .   .   1   1   10   10   DC   H4'    H   .   .   .   .   .   2.66   2.36   3.96   .   .   .   .   .   A   .   10   DC   H1'    .   .   A   .   10   DC   H4'    .   .   .   10   .   H1'    .   .   .   .   .   10   .   H4'    .   .   rr_1lae   2    
     34   1   .    .   1   1   10   10   DC   H2''   H   .   .   .   1   1   10   10   DC   H4'    H   .   .   .   .   .   3.73   3.28   4.18   .   .   .   .   .   A   .   10   DC   H2''   .   .   A   .   10   DC   H4'    .   .   .   10   .   H2''   .   .   .   .   .   10   .   H4'    .   .   rr_1lae   2    
     35   1   .    .   1   1   10   10   DC   H3'    H   .   .   .   1   1   11   11   DG   H8     H   .   .   .   .   .   4.50   4.20   4.80   .   .   .   .   .   A   .   10   DC   H3'    .   .   A   .   11   DG   H8     .   .   .   10   .   H3'    .   .   .   .   .   11   .   H8     .   .   rr_1lae   2    
     36   1   .    .   1   1   11   11   DG   H3'    H   .   .   .   1   1   11   11   DG   H1'    H   .   .   .   .   .   4.08   3.48   4.68   .   .   .   .   .   A   .   11   DG   H3'    .   .   A   .   11   DG   H1'    .   .   .   11   .   H3'    .   .   .   .   .   11   .   H1'    .   .   rr_1lae   2    
     37   1   .    .   1   1   11   11   DG   H4'    H   .   .   .   1   1   11   11   DG   H2'    H   .   .   .   .   .   3.46   3.16   3.76   .   .   .   .   .   A   .   11   DG   H4'    .   .   A   .   11   DG   H2'    .   .   .   11   .   H4'    .   .   .   .   .   11   .   H2'    .   .   rr_1lae   2    
     38   1   .    .   1   1   11   11   DG   H4'    H   .   .   .   1   1   11   11   DG   H2''   H   .   .   .   .   .   3.65   3.35   3.95   .   .   .   .   .   A   .   11   DG   H4'    .   .   A   .   11   DG   H2''   .   .   .   11   .   H4'    .   .   .   .   .   11   .   H2''   .   .   rr_1lae   2    
     39   1   .    .   1   1   12   12   DC   H5     H   .   .   .   1   1   11   11   DG   H2'    H   .   .   .   .   .   3.35   3.05   3.65   .   .   .   .   .   A   .   12   DC   H5     .   .   A   .   11   DG   H2'    .   .   .   12   .   H5     .   .   .   .   .   11   .   H2'    .   .   rr_1lae   2    
     40   1   .    .   1   1   12   12   DC   H5     H   .   .   .   1   1   11   11   DG   H2''   H   .   .   .   .   .   3.04   2.74   3.34   .   .   .   .   .   A   .   12   DC   H5     .   .   A   .   11   DG   H2''   .   .   .   12   .   H5     .   .   .   .   .   11   .   H2''   .   .   rr_1lae   2    
     41   1   .    .   1   1   11   11   DG   H3'    H   .   .   .   1   1   12   12   DC   H6     H   .   .   .   .   .   4.80   4.50   5.10   .   .   .   .   .   A   .   11   DG   H3'    .   .   A   .   12   DC   H6     .   .   .   11   .   H3'    .   .   .   .   .   12   .   H6     .   .   rr_1lae   2    
     42   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   12   12   DC   H2'    H   .   .   .   .   .   2.44   2.14   2.74   .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   12   DC   H2'    .   .   .   12   .   H6     .   .   .   .   .   12   .   H2'    .   .   rr_1lae   2    
     43   1   .    .   1   1   12   12   DC   H1'    H   .   .   .   1   1   12   12   DC   H2''   H   .   .   .   .   .   2.33   2.03   2.63   .   .   .   .   .   A   .   12   DC   H1'    .   .   A   .   12   DC   H2''   .   .   .   12   .   H1'    .   .   .   .   .   12   .   H2''   .   .   rr_1lae   2    
     44   1   .    .   1   1   12   12   DC   H3'    H   .   .   .   1   1   13   13   DG   H8     H   .   .   .   .   .   4.50   4.25   4.75   .   .   .   .   .   A   .   12   DC   H3'    .   .   A   .   13   DG   H8     .   .   .   12   .   H3'    .   .   .   .   .   13   .   H8     .   .   rr_1lae   2    

   stop_

   loop_
      _Gen_dist_constraint_comment_org.ID
      _Gen_dist_constraint_comment_org.Comment_text
      _Gen_dist_constraint_comment_org.Comment_begin_line
      _Gen_dist_constraint_comment_org.Comment_begin_column
      _Gen_dist_constraint_comment_org.Comment_end_line
      _Gen_dist_constraint_comment_org.Comment_end_column
      _Gen_dist_constraint_comment_org.Entry_ID
      _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID

     1    'Class 2 Distance Restraints'   1    1    1    30   rr_1lae   2    
     2    ub+0.5                          5    81   5    90   rr_1lae   2    
     3    ub+1                            6    81   6    88   rr_1lae   2    
     4    man                             13   81   13   88   rr_1lae   2    
     5    -1                              24   81   24   86   rr_1lae   2    
     6    ub+0.2                          29   81   29   90   rr_1lae   2    
     7    +0.5                            31   81   31   88   rr_1lae   2    
     8    +0.5                            36   81   36   88   rr_1lae   2    
     9    ub+1.0                          37   81   37   90   rr_1lae   2    
     10   ub+1.0                          38   81   38   90   rr_1lae   2    
     11   man                             46   81   46   87   rr_1lae   2    

   stop_

save_

save_CNS/XPLOR_distance_constraints_5
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_5
   _Gen_dist_constraint_list.Entry_ID            rr_1lae
   _Gen_dist_constraint_list.ID                  4
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            5

   loop_
      _Gen_dist_constraint_software.Software_ID
      _Gen_dist_constraint_software.Software_label
      _Gen_dist_constraint_software.Method_ID
      _Gen_dist_constraint_software.Method_label
      _Gen_dist_constraint_software.Entry_ID
      _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

     .   .   .   .   rr_1lae   3    

   stop_

   loop_
      _Gen_dist_constraint.ID
      _Gen_dist_constraint.Member_ID
      _Gen_dist_constraint.Member_logic_code
      _Gen_dist_constraint.Assembly_atom_ID_1
      _Gen_dist_constraint.Entity_assembly_ID_1
      _Gen_dist_constraint.Entity_ID_1
      _Gen_dist_constraint.Comp_index_ID_1
      _Gen_dist_constraint.Seq_ID_1
      _Gen_dist_constraint.Comp_ID_1
      _Gen_dist_constraint.Atom_ID_1
      _Gen_dist_constraint.Atom_type_1
      _Gen_dist_constraint.Atom_isotope_number_1
      _Gen_dist_constraint.Resonance_ID_1
      _Gen_dist_constraint.Assembly_atom_ID_2
      _Gen_dist_constraint.Entity_assembly_ID_2
      _Gen_dist_constraint.Entity_ID_2
      _Gen_dist_constraint.Comp_index_ID_2
      _Gen_dist_constraint.Seq_ID_2
      _Gen_dist_constraint.Comp_ID_2
      _Gen_dist_constraint.Atom_ID_2
      _Gen_dist_constraint.Atom_type_2
      _Gen_dist_constraint.Atom_isotope_number_2
      _Gen_dist_constraint.Resonance_ID_2
      _Gen_dist_constraint.Intensity_val
      _Gen_dist_constraint.Intensity_lower_val_err
      _Gen_dist_constraint.Intensity_upper_val_err
      _Gen_dist_constraint.Distance_val
      _Gen_dist_constraint.Distance_lower_bound_val
      _Gen_dist_constraint.Distance_upper_bound_val
      _Gen_dist_constraint.Contribution_fractional_val
      _Gen_dist_constraint.Spectral_peak_ID
      _Gen_dist_constraint.Spectral_peak_list_ID
      _Gen_dist_constraint.PDB_record_ID_1
      _Gen_dist_constraint.PDB_model_num_1
      _Gen_dist_constraint.PDB_strand_ID_1
      _Gen_dist_constraint.PDB_ins_code_1
      _Gen_dist_constraint.PDB_residue_no_1
      _Gen_dist_constraint.PDB_residue_name_1
      _Gen_dist_constraint.PDB_atom_name_1
      _Gen_dist_constraint.PDB_record_ID_2
      _Gen_dist_constraint.PDB_model_num_2
      _Gen_dist_constraint.PDB_strand_ID_2
      _Gen_dist_constraint.PDB_ins_code_2
      _Gen_dist_constraint.PDB_residue_no_2
      _Gen_dist_constraint.PDB_residue_name_2
      _Gen_dist_constraint.PDB_atom_name_2
      _Gen_dist_constraint.Auth_entity_assembly_ID_1
      _Gen_dist_constraint.Auth_asym_ID_1
      _Gen_dist_constraint.Auth_chain_ID_1
      _Gen_dist_constraint.Auth_seq_ID_1
      _Gen_dist_constraint.Auth_comp_ID_1
      _Gen_dist_constraint.Auth_atom_ID_1
      _Gen_dist_constraint.Auth_alt_ID_1
      _Gen_dist_constraint.Auth_atom_name_1
      _Gen_dist_constraint.Auth_entity_assembly_ID_2
      _Gen_dist_constraint.Auth_asym_ID_2
      _Gen_dist_constraint.Auth_chain_ID_2
      _Gen_dist_constraint.Auth_seq_ID_2
      _Gen_dist_constraint.Auth_comp_ID_2
      _Gen_dist_constraint.Auth_atom_ID_2
      _Gen_dist_constraint.Auth_alt_ID_2
      _Gen_dist_constraint.Auth_atom_name_2
      _Gen_dist_constraint.Entry_ID
      _Gen_dist_constraint.Gen_dist_constraint_list_ID

     1    1   .    .   1   1   2    2    DG   H4'    H   .   .   .   1   1   2    2    DG   H1'    H   .   .   .   .   .   2.77   2.47   3.77   .   .   .   .   .   A   .   2    DG   H4'    .   .   A   .   2    DG   H1'    .   .   .   2    .   H4'    .   .   .   .   .   2    .   H1'    .   .   rr_1lae   3    
     2    1   .    .   1   1   2    2    DG   H3'    H   .   .   .   1   1   2    2    DG   H4'    H   .   .   .   .   .   2.33   2.03   2.93   .   .   .   .   .   A   .   2    DG   H3'    .   .   A   .   2    DG   H4'    .   .   .   2    .   H3'    .   .   .   .   .   2    .   H4'    .   .   rr_1lae   3    
     3    1   .    .   1   1   2    2    DG   H1'    H   .   .   .   1   1   3    3    DC   H5'    H   .   .   .   .   .   2.93   2.63   3.23   .   .   .   .   .   A   .   2    DG   H1'    .   .   A   .   3    DC   H5'    .   .   .   2    .   H1'    .   .   .   .   .   3    .   H5'    .   .   rr_1lae   3    
     4    1   .    .   1   1   3    3    DC   H2''   H   .   .   .   1   1   3    3    DC   H3'    H   .   .   .   .   .   2.74   2.44   3.04   .   .   .   .   .   A   .   3    DC   H2''   .   .   A   .   3    DC   H3'    .   .   .   3    .   H2''   .   .   .   .   .   3    .   H3'    .   .   rr_1lae   3    
     5    1   .    .   1   1   4    4    DG   H1'    H   .   .   .   1   1   5    5    DG   H5'    H   .   .   .   .   .   4.86   3.76   5.20   .   .   .   .   .   A   .   4    DG   H1'    .   .   A   .   5    DG   H5'    .   .   .   4    .   H1'    .   .   .   .   .   5    .   H5'    .   .   rr_1lae   3    
     6    1   .    .   1   1   5    5    DG   H8     H   .   .   .   1   1   5    5    DG   H5'    H   .   .   .   .   .   4.60   4.07   5.13   .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   5    DG   H5'    .   .   .   5    .   H8     .   .   .   .   .   5    .   H5'    .   .   rr_1lae   3    
     7    1   .    .   1   1   6    6    DT   H2'    H   .   .   .   1   1   6    6    DT   H3'    H   .   .   .   .   .   2.45   2.15   2.75   .   .   .   .   .   A   .   6    DT   H2'    .   .   A   .   6    DT   H3'    .   .   .   6    .   H2'    .   .   .   .   .   6    .   H3'    .   .   rr_1lae   3    
     8    1   .    .   1   1   7    7    P    H1'    H   .   .   .   1   1   7    7    P    H3'    H   .   .   .   .   .   4.71   3.59   5.20   .   .   .   .   .   A   .   7    P    H1'    .   .   A   .   7    P    H3'    .   .   .   7    .   H1'    .   .   .   .   .   7    .   H3'    .   .   rr_1lae   3    
     9    1   .    .   1   1   7    7    P    H1'    H   .   .   .   1   1   7    7    P    H4'    H   .   .   .   .   .   2.88   2.58   3.68   .   .   .   .   .   A   .   7    P    H1'    .   .   A   .   7    P    H4'    .   .   .   7    .   H1'    .   .   .   .   .   7    .   H4'    .   .   rr_1lae   3    
     10   1   .    .   1   1   9    9    DC   H2'    H   .   .   .   1   1   9    9    DC   H3'    H   .   .   .   .   .   2.83   2.23   3.13   .   .   .   .   .   A   .   9    DC   H2'    .   .   A   .   9    DC   H3'    .   .   .   9    .   H2'    .   .   .   .   .   9    .   H3'    .   .   rr_1lae   3    
     11   1   .    .   1   1   9    9    DC   H3'    H   .   .   .   1   1   9    9    DC   H4'    H   .   .   .   .   .   2.62   1.40   3.20   .   .   .   .   .   A   .   9    DC   H3'    .   .   A   .   9    DC   H4'    .   .   .   9    .   H3'    .   .   .   .   .   9    .   H4'    .   .   rr_1lae   3    
     12   1   .    .   1   1   9    9    DC   H3'    H   .   .   .   1   1   9    9    DC   H5'    H   .   .   .   .   .   3.06   2.46   3.86   .   .   .   .   .   A   .   9    DC   H3'    .   .   A   .   9    DC   H5'    .   .   .   9    .   H3'    .   .   .   .   .   9    .   H5'    .   .   rr_1lae   3    
     13   1   .    .   1   1   9    9    DC   H3'    H   .   .   .   1   1   9    9    DC   H5''   H   .   .   .   .   .   3.46   2.58   3.85   .   .   .   .   .   A   .   9    DC   H3'    .   .   A   .   9    DC   H5''   .   .   .   9    .   H3'    .   .   .   .   .   9    .   H5''   .   .   rr_1lae   3    
     14   1   .    .   1   1   9    9    DC   H6     H   .   .   .   1   1   9    9    DC   H1'    H   .   .   .   .   .   3.42   3.08   3.76   .   .   .   .   .   A   .   9    DC   H6     .   .   A   .   9    DC   H1'    .   .   .   9    .   H6     .   .   .   .   .   9    .   H1'    .   .   rr_1lae   3    
     15   1   .    .   1   1   9    9    DC   H2'    H   .   .   .   1   1   10   10   DC   H5     H   .   .   .   .   .   3.09   2.79   3.39   .   .   .   .   .   A   .   9    DC   H2'    .   .   A   .   10   DC   H5     .   .   .   9    .   H2'    .   .   .   .   .   10   .   H5     .   .   rr_1lae   3    
     16   1   .    .   1   1   10   10   DC   H3'    H   .   .   .   1   1   10   10   DC   H4'    H   .   .   .   .   .   2.37   2.07   2.97   .   .   .   .   .   A   .   10   DC   H3'    .   .   A   .   10   DC   H4'    .   .   .   10   .   H3'    .   .   .   .   .   10   .   H4'    .   .   rr_1lae   3    
     17   1   OR   .   1   1   10   10   DC   H5''   H   .   .   .   1   1   10   10   DC   H1'    H   .   .   .   .   .   4.71   3.73   5.70   .   .   .   .   .   A   .   10   DC   H5''   .   .   A   .   10   DC   H1'    .   .   .   10   .   H5''   .   .   .   .   .   10   .   H1'    .   .   rr_1lae   3    
     17   2   OR   .   1   1   10   10   DC   H5'    H   .   .   .   1   1   10   10   DC   H1'    H   .   .   .   .   .   4.71   3.73   5.70   .   .   .   .   .   A   .   10   DC   H5'    .   .   A   .   10   DC   H1'    .   .   .   10   .   H5'    .   .   .   .   .   10   .   H1'    .   .   rr_1lae   3    
     18   1   OR   .   1   1   10   10   DC   H5''   H   .   .   .   1   1   10   10   DC   H3'    H   .   .   .   .   .   3.08   2.78   3.38   .   .   .   .   .   A   .   10   DC   H5''   .   .   A   .   10   DC   H3'    .   .   .   10   .   H5''   .   .   .   .   .   10   .   H3'    .   .   rr_1lae   3    
     18   2   OR   .   1   1   10   10   DC   H5'    H   .   .   .   1   1   10   10   DC   H3'    H   .   .   .   .   .   3.08   2.78   3.38   .   .   .   .   .   A   .   10   DC   H5'    .   .   A   .   10   DC   H3'    .   .   .   10   .   H5'    .   .   .   .   .   10   .   H3'    .   .   rr_1lae   3    
     19   1   .    .   1   1   11   11   DG   H1'    H   .   .   .   1   1   12   12   DC   H5'    H   .   .   .   .   .   3.00   2.70   3.30   .   .   .   .   .   A   .   11   DG   H1'    .   .   A   .   12   DC   H5'    .   .   .   11   .   H1'    .   .   .   .   .   12   .   H5'    .   .   rr_1lae   3    
     20   1   .    .   1   1   12   12   DC   H2''   H   .   .   .   1   1   12   12   DC   H4'    H   .   .   .   .   .   3.33   2.96   4.19   .   .   .   .   .   A   .   12   DC   H2''   .   .   A   .   12   DC   H4'    .   .   .   12   .   H2''   .   .   .   .   .   12   .   H4'    .   .   rr_1lae   3    
     21   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   12   12   DC   H4'    H   .   .   .   .   .   3.93   3.34   5.02   .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   12   DC   H4'    .   .   .   12   .   H6     .   .   .   .   .   12   .   H4'    .   .   rr_1lae   3    
     22   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   12   12   DC   H5''   H   .   .   .   .   .   5.17   3.63   5.21   .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   12   DC   H5''   .   .   .   12   .   H6     .   .   .   .   .   12   .   H5''   .   .   rr_1lae   3    
     23   1   .    .   1   1   12   12   DC   H2''   H   .   .   .   1   1   13   13   DG   H8     H   .   .   .   .   .   3.29   2.09   3.59   .   .   .   .   .   A   .   12   DC   H2''   .   .   A   .   13   DG   H8     .   .   .   12   .   H2''   .   .   .   .   .   13   .   H8     .   .   rr_1lae   3    
     24   1   .    .   1   1   13   13   DG   H8     H   .   .   .   1   1   13   13   DG   H2''   H   .   .   .   .   .   3.10   2.77   3.93   .   .   .   .   .   A   .   13   DG   H8     .   .   A   .   13   DG   H2''   .   .   .   13   .   H8     .   .   .   .   .   13   .   H2''   .   .   rr_1lae   3    
     25   1   OR   .   1   1   13   13   DG   H3'    H   .   .   .   1   1   13   13   DG   H5''   H   .   .   .   .   .   3.62   2.34   4.40   .   .   .   .   .   A   .   13   DG   H3'    .   .   A   .   13   DG   H5''   .   .   .   13   .   H3'    .   .   .   .   .   13   .   H5''   .   .   rr_1lae   3    
     25   2   OR   .   1   1   13   13   DG   H3'    H   .   .   .   1   1   13   13   DG   H5'    H   .   .   .   .   .   3.62   2.34   4.40   .   .   .   .   .   A   .   13   DG   H3'    .   .   A   .   13   DG   H5'    .   .   .   13   .   H3'    .   .   .   .   .   13   .   H5'    .   .   rr_1lae   3    
     26   1   .    .   1   1   2    2    DG   H2''   H   .   .   .   1   1   3    3    DC   H5''   H   .   .   .   .   .   4.10   3.43   4.77   .   .   .   .   .   A   .   2    DG   H2''   .   .   A   .   3    DC   H5''   .   .   .   2    .   H2''   .   .   .   .   .   3    .   H5''   .   .   rr_1lae   3    
     27   1   .    .   1   1   11   11   DG   H2''   H   .   .   .   1   1   12   12   DC   H5''   H   .   .   .   .   .   3.95   3.30   4.60   .   .   .   .   .   A   .   11   DG   H2''   .   .   A   .   12   DC   H5''   .   .   .   11   .   H2''   .   .   .   .   .   12   .   H5''   .   .   rr_1lae   3    

   stop_

   loop_
      _Gen_dist_constraint_comment_org.ID
      _Gen_dist_constraint_comment_org.Comment_text
      _Gen_dist_constraint_comment_org.Comment_begin_line
      _Gen_dist_constraint_comment_org.Comment_begin_column
      _Gen_dist_constraint_comment_org.Comment_end_line
      _Gen_dist_constraint_comment_org.Comment_end_column
      _Gen_dist_constraint_comment_org.Entry_ID
      _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID

     1    'Class 4 Distance Restraints'                                                     1    1    1    30   rr_1lae   3    
     2    ub+0.7                                                                            3    81   3    90   rr_1lae   3    
     3    ub+0.3                                                                            4    81   4    89   rr_1lae   3    
     4    lb-0.5                                                                            10   81   10   90   rr_1lae   3    
     5    ub+0.5                                                                            11   81   11   90   rr_1lae   3    
     6    lb-0.6                                                                            12   81   12   90   rr_1lae   3    
     7    -2                                                                                13   81   13   86   rr_1lae   3    
     8    ub+0.5                                                                            14   81   14   90   rr_1lae   3    
     9    lb-0.5                                                                            15   81   15   89   rr_1lae   3    
     10   ub+0.3                                                                            18   81   18   90   rr_1lae   3    
     11   ub+0.5                                                                            24   81   24   90   rr_1lae   3    
     12   ub+0.5                                                                            25   81   25   90   rr_1lae   3    
     13   lb-1.0                                                                            27   81   27   90   rr_1lae   3    
     14   
;
lb-0.5
assign ( resid 3 and name H5'' )( resid 2 and name H2' ) 4.42 1.30 0.78
;
30   81   31   84   rr_1lae   3    
     15   "assign ( resid 12 and name H5'' )( resid 11 and name H2' ) 4.35 1.18 0.85"       33   1    33   84   rr_1lae   3    

   stop_

save_

save_CNS/XPLOR_distance_constraints_4
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_4
   _Gen_dist_constraint_list.Entry_ID            rr_1lae
   _Gen_dist_constraint_list.ID                  3
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            4

   loop_
      _Gen_dist_constraint_software.Software_ID
      _Gen_dist_constraint_software.Software_label
      _Gen_dist_constraint_software.Method_ID
      _Gen_dist_constraint_software.Method_label
      _Gen_dist_constraint_software.Entry_ID
      _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

     .   .   .   .   rr_1lae   4    

   stop_

   loop_
      _Gen_dist_constraint.ID
      _Gen_dist_constraint.Member_ID
      _Gen_dist_constraint.Member_logic_code
      _Gen_dist_constraint.Assembly_atom_ID_1
      _Gen_dist_constraint.Entity_assembly_ID_1
      _Gen_dist_constraint.Entity_ID_1
      _Gen_dist_constraint.Comp_index_ID_1
      _Gen_dist_constraint.Seq_ID_1
      _Gen_dist_constraint.Comp_ID_1
      _Gen_dist_constraint.Atom_ID_1
      _Gen_dist_constraint.Atom_type_1
      _Gen_dist_constraint.Atom_isotope_number_1
      _Gen_dist_constraint.Resonance_ID_1
      _Gen_dist_constraint.Assembly_atom_ID_2
      _Gen_dist_constraint.Entity_assembly_ID_2
      _Gen_dist_constraint.Entity_ID_2
      _Gen_dist_constraint.Comp_index_ID_2
      _Gen_dist_constraint.Seq_ID_2
      _Gen_dist_constraint.Comp_ID_2
      _Gen_dist_constraint.Atom_ID_2
      _Gen_dist_constraint.Atom_type_2
      _Gen_dist_constraint.Atom_isotope_number_2
      _Gen_dist_constraint.Resonance_ID_2
      _Gen_dist_constraint.Intensity_val
      _Gen_dist_constraint.Intensity_lower_val_err
      _Gen_dist_constraint.Intensity_upper_val_err
      _Gen_dist_constraint.Distance_val
      _Gen_dist_constraint.Distance_lower_bound_val
      _Gen_dist_constraint.Distance_upper_bound_val
      _Gen_dist_constraint.Contribution_fractional_val
      _Gen_dist_constraint.Spectral_peak_ID
      _Gen_dist_constraint.Spectral_peak_list_ID
      _Gen_dist_constraint.PDB_record_ID_1
      _Gen_dist_constraint.PDB_model_num_1
      _Gen_dist_constraint.PDB_strand_ID_1
      _Gen_dist_constraint.PDB_ins_code_1
      _Gen_dist_constraint.PDB_residue_no_1
      _Gen_dist_constraint.PDB_residue_name_1
      _Gen_dist_constraint.PDB_atom_name_1
      _Gen_dist_constraint.PDB_record_ID_2
      _Gen_dist_constraint.PDB_model_num_2
      _Gen_dist_constraint.PDB_strand_ID_2
      _Gen_dist_constraint.PDB_ins_code_2
      _Gen_dist_constraint.PDB_residue_no_2
      _Gen_dist_constraint.PDB_residue_name_2
      _Gen_dist_constraint.PDB_atom_name_2
      _Gen_dist_constraint.Auth_entity_assembly_ID_1
      _Gen_dist_constraint.Auth_asym_ID_1
      _Gen_dist_constraint.Auth_chain_ID_1
      _Gen_dist_constraint.Auth_seq_ID_1
      _Gen_dist_constraint.Auth_comp_ID_1
      _Gen_dist_constraint.Auth_atom_ID_1
      _Gen_dist_constraint.Auth_alt_ID_1
      _Gen_dist_constraint.Auth_atom_name_1
      _Gen_dist_constraint.Auth_entity_assembly_ID_2
      _Gen_dist_constraint.Auth_asym_ID_2
      _Gen_dist_constraint.Auth_chain_ID_2
      _Gen_dist_constraint.Auth_seq_ID_2
      _Gen_dist_constraint.Auth_comp_ID_2
      _Gen_dist_constraint.Auth_atom_ID_2
      _Gen_dist_constraint.Auth_alt_ID_2
      _Gen_dist_constraint.Auth_atom_name_2
      _Gen_dist_constraint.Entry_ID
      _Gen_dist_constraint.Gen_dist_constraint_list_ID

     1    1   .    .   1   1   1    1    DC   H6     H   .   .   .   1   1   1    1    DC   H4'    H   .   .   .   .   .   5.200   4.600   5.200   .   .   .   .   .   A   .   1    DC   H6     .   .   A   .   1    DC   H4'    .   .   .   1    .   H6     .   .   .   .   .   1    .   H4'    .   .   rr_1lae   4    
     2    1   .    .   1   1   1    1    DC   H1'    H   .   .   .   1   1   2    2    DG   H5''   H   .   .   .   .   .   3.960   2.990   4.930   .   .   .   .   .   A   .   1    DC   H1'    .   .   A   .   2    DG   H5''   .   .   .   1    .   H1'    .   .   .   .   .   2    .   H5''   .   .   rr_1lae   4    
     3    1   .    .   1   1   2    2    DG   H1'    H   .   .   .   1   1   2    2    DG   H2'    H   .   .   .   .   .   2.800   2.590   3.010   .   .   .   .   .   A   .   2    DG   H1'    .   .   A   .   2    DG   H2'    .   .   .   2    .   H1'    .   .   .   .   .   2    .   H2'    .   .   rr_1lae   4    
     4    1   .    .   1   1   2    2    DG   H8     H   .   .   .   1   1   2    2    DG   H2'    H   .   .   .   .   .   2.421   2.121   2.721   .   .   .   .   .   A   .   2    DG   H8     .   .   A   .   2    DG   H2'    .   .   .   2    .   H8     .   .   .   .   .   2    .   H2'    .   .   rr_1lae   4    
     5    1   .    .   1   1   2    2    DG   H1'    H   .   .   .   1   1   2    2    DG   H2''   H   .   .   .   .   .   2.300   2.000   2.600   .   .   .   .   .   A   .   2    DG   H1'    .   .   A   .   2    DG   H2''   .   .   .   2    .   H1'    .   .   .   .   .   2    .   H2''   .   .   rr_1lae   4    
     6    1   .    .   1   1   2    2    DG   H8     H   .   .   .   1   1   2    2    DG   H2''   H   .   .   .   .   .   3.530   3.230   3.830   .   .   .   .   .   A   .   2    DG   H8     .   .   A   .   2    DG   H2''   .   .   .   2    .   H8     .   .   .   .   .   2    .   H2''   .   .   rr_1lae   4    
     7    1   .    .   1   1   2    2    DG   H1'    H   .   .   .   1   1   3    3    DC   H5''   H   .   .   .   .   .   3.710   3.250   4.670   .   .   .   .   .   A   .   2    DG   H1'    .   .   A   .   3    DC   H5''   .   .   .   2    .   H1'    .   .   .   .   .   3    .   H5''   .   .   rr_1lae   4    
     8    1   .    .   1   1   2    2    DG   H1'    H   .   .   .   1   1   3    3    DC   H6     H   .   .   .   .   .   3.260   2.960   3.560   .   .   .   .   .   A   .   2    DG   H1'    .   .   A   .   3    DC   H6     .   .   .   2    .   H1'    .   .   .   .   .   3    .   H6     .   .   rr_1lae   4    
     9    1   .    .   1   1   3    3    DC   H6     H   .   .   .   1   1   2    2    DG   H2'    H   .   .   .   .   .   3.000   2.700   4.000   .   .   .   .   .   A   .   3    DC   H6     .   .   A   .   2    DG   H2'    .   .   .   3    .   H6     .   .   .   .   .   2    .   H2'    .   .   rr_1lae   4    
     10   1   .    .   1   1   2    2    DG   H2''   H   .   .   .   1   1   3    3    DC   H6     H   .   .   .   .   .   2.660   2.160   2.960   .   .   .   .   .   A   .   2    DG   H2''   .   .   A   .   3    DC   H6     .   .   .   2    .   H2''   .   .   .   .   .   3    .   H6     .   .   rr_1lae   4    
     11   1   .    .   1   1   3    3    DC   H1'    H   .   .   .   1   1   3    3    DC   H2''   H   .   .   .   .   .   2.290   1.990   2.590   .   .   .   .   .   A   .   3    DC   H1'    .   .   A   .   3    DC   H2''   .   .   .   3    .   H1'    .   .   .   .   .   3    .   H2''   .   .   rr_1lae   4    
     12   1   .    .   1   1   3    3    DC   H1'    H   .   .   .   1   1   3    3    DC   H3'    H   .   .   .   .   .   4.020   3.580   4.450   .   .   .   .   .   A   .   3    DC   H1'    .   .   A   .   3    DC   H3'    .   .   .   3    .   H1'    .   .   .   .   .   3    .   H3'    .   .   rr_1lae   4    
     13   1   .    .   1   1   3    3    DC   H2'    H   .   .   .   1   1   3    3    DC   H3'    H   .   .   .   .   .   2.380   2.080   2.680   .   .   .   .   .   A   .   3    DC   H2'    .   .   A   .   3    DC   H3'    .   .   .   3    .   H2'    .   .   .   .   .   3    .   H3'    .   .   rr_1lae   4    
     14   1   .    .   1   1   3    3    DC   H6     H   .   .   .   1   1   3    3    DC   H3'    H   .   .   .   .   .   3.460   3.160   3.760   .   .   .   .   .   A   .   3    DC   H6     .   .   A   .   3    DC   H3'    .   .   .   3    .   H6     .   .   .   .   .   3    .   H3'    .   .   rr_1lae   4    
     15   1   .    .   1   1   3    3    DC   H1'    H   .   .   .   1   1   3    3    DC   H4'    H   .   .   .   .   .   2.790   2.490   4.090   .   .   .   .   .   A   .   3    DC   H1'    .   .   A   .   3    DC   H4'    .   .   .   3    .   H1'    .   .   .   .   .   3    .   H4'    .   .   rr_1lae   4    
     16   1   .    .   1   1   3    3    DC   H2''   H   .   .   .   1   1   3    3    DC   H4'    H   .   .   .   .   .   3.690   3.390   3.990   .   .   .   .   .   A   .   3    DC   H2''   .   .   A   .   3    DC   H4'    .   .   .   3    .   H2''   .   .   .   .   .   3    .   H4'    .   .   rr_1lae   4    
     17   1   .    .   1   1   3    3    DC   H6     H   .   .   .   1   1   3    3    DC   H4'    H   .   .   .   .   .   4.840   4.470   5.200   .   .   .   .   .   A   .   3    DC   H6     .   .   A   .   3    DC   H4'    .   .   .   3    .   H6     .   .   .   .   .   3    .   H4'    .   .   rr_1lae   4    
     18   1   .    .   1   1   3    3    DC   H6     H   .   .   .   1   1   3    3    DC   H1'    H   .   .   .   .   .   3.630   3.330   3.930   .   .   .   .   .   A   .   3    DC   H6     .   .   A   .   3    DC   H1'    .   .   .   3    .   H6     .   .   .   .   .   3    .   H1'    .   .   rr_1lae   4    
     19   1   .    .   1   1   3    3    DC   H5'    H   .   .   .   1   1   3    3    DC   H6     H   .   .   .   .   .   3.940   3.640   4.240   .   .   .   .   .   A   .   3    DC   H5'    .   .   A   .   3    DC   H6     .   .   .   3    .   H5'    .   .   .   .   .   3    .   H6     .   .   rr_1lae   4    
     20   1   .    .   1   1   3    3    DC   H6     H   .   .   .   1   1   3    3    DC   H5''   H   .   .   .   .   .   4.350   3.910   4.780   .   .   .   .   .   A   .   3    DC   H6     .   .   A   .   3    DC   H5''   .   .   .   3    .   H6     .   .   .   .   .   3    .   H5''   .   .   rr_1lae   4    
     21   1   .    .   1   1   3    3    DC   H1'    H   .   .   .   1   1   4    4    DG   H5'    H   .   .   .   .   .   4.040   3.370   4.710   .   .   .   .   .   A   .   3    DC   H1'    .   .   A   .   4    DG   H5'    .   .   .   3    .   H1'    .   .   .   .   .   4    .   H5'    .   .   rr_1lae   4    
     22   1   .    .   1   1   4    4    DG   H5''   H   .   .   .   1   1   4    4    DG   H1'    H   .   .   .   .   .   4.850   4.550   5.150   .   .   .   .   .   A   .   4    DG   H5''   .   .   A   .   4    DG   H1'    .   .   .   4    .   H5''   .   .   .   .   .   4    .   H1'    .   .   rr_1lae   4    
     23   1   OR   .   1   1   4    4    DG   H2''   H   .   .   .   1   1   5    5    DG   H8     H   .   .   .   .   .   3.780   3.480   4.080   .   .   .   .   .   A   .   4    DG   H2''   .   .   A   .   5    DG   H8     .   .   .   4    .   H2''   .   .   .   .   .   5    .   H8     .   .   rr_1lae   4    
     23   2   OR   .   1   1   4    4    DG   H2'    H   .   .   .   1   1   5    5    DG   H8     H   .   .   .   .   .   3.780   3.480   4.080   .   .   .   .   .   A   .   4    DG   H2'    .   .   A   .   5    DG   H8     .   .   .   4    .   H2'    .   .   .   .   .   5    .   H8     .   .   rr_1lae   4    
     24   1   OR   .   1   1   5    5    DG   H8     H   .   .   .   1   1   5    5    DG   H2''   H   .   .   .   .   .   2.770   2.470   3.070   .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   5    DG   H2''   .   .   .   5    .   H8     .   .   .   .   .   5    .   H2''   .   .   rr_1lae   4    
     24   2   OR   .   1   1   5    5    DG   H8     H   .   .   .   1   1   5    5    DG   H2'    H   .   .   .   .   .   2.770   2.470   3.070   .   .   .   .   .   A   .   5    DG   H8     .   .   A   .   5    DG   H2'    .   .   .   5    .   H8     .   .   .   .   .   5    .   H2'    .   .   rr_1lae   4    
     25   1   OR   .   1   1   5    5    DG   H2''   H   .   .   .   1   1   6    6    DT   H4'    H   .   .   .   .   .   5.380   5.000   5.760   .   .   .   .   .   A   .   5    DG   H2''   .   .   A   .   6    DT   H4'    .   .   .   5    .   H2''   .   .   .   .   .   6    .   H4'    .   .   rr_1lae   4    
     25   2   OR   .   1   1   5    5    DG   H2'    H   .   .   .   1   1   6    6    DT   H4'    H   .   .   .   .   .   5.380   5.000   5.760   .   .   .   .   .   A   .   5    DG   H2'    .   .   A   .   6    DT   H4'    .   .   .   5    .   H2'    .   .   .   .   .   6    .   H4'    .   .   rr_1lae   4    
     26   1   OR   .   1   1   5    5    DG   H2''   H   .   .   .   1   1   6    6    DT   H5''   H   .   .   .   .   .   4.000   3.600   4.400   .   .   .   .   .   A   .   5    DG   H2''   .   .   A   .   6    DT   H5''   .   .   .   5    .   H2''   .   .   .   .   .   6    .   H5''   .   .   rr_1lae   4    
     26   2   OR   .   1   1   5    5    DG   H2'    H   .   .   .   1   1   6    6    DT   H5''   H   .   .   .   .   .   4.000   3.600   4.400   .   .   .   .   .   A   .   5    DG   H2'    .   .   A   .   6    DT   H5''   .   .   .   5    .   H2'    .   .   .   .   .   6    .   H5''   .   .   rr_1lae   4    
     27   1   .    .   1   1   6    6    DT   H4'    H   .   .   .   1   1   6    6    DT   H2''   H   .   .   .   .   .   4.300   3.930   4.680   .   .   .   .   .   A   .   6    DT   H4'    .   .   A   .   6    DT   H2''   .   .   .   6    .   H4'    .   .   .   .   .   6    .   H2''   .   .   rr_1lae   4    
     28   1   .    .   1   1   6    6    DT   H6     H   .   .   .   1   1   6    6    DT   H2''   H   .   .   .   .   .   3.530   3.230   3.930   .   .   .   .   .   A   .   6    DT   H6     .   .   A   .   6    DT   H2''   .   .   .   6    .   H6     .   .   .   .   .   6    .   H2''   .   .   rr_1lae   4    
     29   1   .    .   1   1   6    6    DT   H2''   H   .   .   .   1   1   7    7    P    H8     H   .   .   .   .   .   3.440   3.140   3.740   .   .   .   .   .   A   .   6    DT   H2''   .   .   A   .   7    P    H8     .   .   .   6    .   H2''   .   .   .   .   .   7    .   H8     .   .   rr_1lae   4    
     30   1   .    .   1   1   7    7    P    H1'    H   .   .   .   1   1   7    7    P    H2''   H   .   .   .   .   .   1.930   1.610   2.250   .   .   .   .   .   A   .   7    P    H1'    .   .   A   .   7    P    H2''   .   .   .   7    .   H1'    .   .   .   .   .   7    .   H2''   .   .   rr_1lae   4    
     31   1   .    .   1   1   7    7    P    H8     H   .   .   .   1   1   7    7    P    H5'    H   .   .   .   .   .   5.000   3.770   5.200   .   .   .   .   .   A   .   7    P    H8     .   .   A   .   7    P    H5'    .   .   .   7    .   H8     .   .   .   .   .   7    .   H5'    .   .   rr_1lae   4    
     32   1   .    .   1   1   7    7    P    H1'    H   .   .   .   1   1   8    8    DT   H5''   H   .   .   .   .   .   3.920   2.890   5.200   .   .   .   .   .   A   .   7    P    H1'    .   .   A   .   8    DT   H5''   .   .   .   7    .   H1'    .   .   .   .   .   8    .   H5''   .   .   rr_1lae   4    
     33   1   .    .   1   1   7    7    P    H1'    H   .   .   .   1   1   8    8    DT   H6     H   .   .   .   .   .   3.930   2.840   5.020   .   .   .   .   .   A   .   7    P    H1'    .   .   A   .   8    DT   H6     .   .   .   7    .   H1'    .   .   .   .   .   8    .   H6     .   .   rr_1lae   4    
     34   1   .    .   1   1   7    7    P    H2''   H   .   .   .   1   1   8    8    DT   H6     H   .   .   .   .   .   2.300   1.940   2.670   .   .   .   .   .   A   .   7    P    H2''   .   .   A   .   8    DT   H6     .   .   .   7    .   H2''   .   .   .   .   .   8    .   H6     .   .   rr_1lae   4    
     35   1   .    .   1   1   8    8    DT   H1'    H   .   .   .   1   1   8    8    DT   H2''   H   .   .   .   .   .   2.260   1.960   2.560   .   .   .   .   .   A   .   8    DT   H1'    .   .   A   .   8    DT   H2''   .   .   .   8    .   H1'    .   .   .   .   .   8    .   H2''   .   .   rr_1lae   4    
     36   1   .    .   1   1   8    8    DT   H6     H   .   .   .   1   1   8    8    DT   H2''   H   .   .   .   .   .   2.720   2.060   3.880   .   .   .   .   .   A   .   8    DT   H6     .   .   A   .   8    DT   H2''   .   .   .   8    .   H6     .   .   .   .   .   8    .   H2''   .   .   rr_1lae   4    
     37   1   .    .   1   1   8    8    DT   H6     H   .   .   .   1   1   8    8    DT   H5''   H   .   .   .   .   .   4.690   3.960   5.000   .   .   .   .   .   A   .   8    DT   H6     .   .   A   .   8    DT   H5''   .   .   .   8    .   H6     .   .   .   .   .   8    .   H5''   .   .   rr_1lae   4    
     38   1   .    .   1   1   8    8    DT   H4'    H   .   .   .   1   1   9    9    DC   H1'    H   .   .   .   .   .   3.620   3.290   3.950   .   .   .   .   .   A   .   8    DT   H4'    .   .   A   .   9    DC   H1'    .   .   .   8    .   H4'    .   .   .   .   .   9    .   H1'    .   .   rr_1lae   4    
     39   1   .    .   1   1   8    8    DT   H4'    H   .   .   .   1   1   9    9    DC   H5     H   .   .   .   .   .   3.630   3.330   4.230   .   .   .   .   .   A   .   8    DT   H4'    .   .   A   .   9    DC   H5     .   .   .   8    .   H4'    .   .   .   .   .   9    .   H5     .   .   rr_1lae   4    
     40   1   .    .   1   1   8    8    DT   H5'    H   .   .   .   1   1   9    9    DC   H1'    H   .   .   .   .   .   3.580   3.050   4.120   .   .   .   .   .   A   .   8    DT   H5'    .   .   A   .   9    DC   H1'    .   .   .   8    .   H5'    .   .   .   .   .   9    .   H1'    .   .   rr_1lae   4    
     41   1   .    .   1   1   9    9    DC   H2'    H   .   .   .   1   1   9    9    DC   H5     H   .   .   .   .   .   4.240   2.920   5.200   .   .   .   .   .   A   .   9    DC   H2'    .   .   A   .   9    DC   H5     .   .   .   9    .   H2'    .   .   .   .   .   9    .   H5     .   .   rr_1lae   4    
     42   1   .    .   1   1   9    9    DC   H2''   H   .   .   .   1   1   9    9    DC   H3'    H   .   .   .   .   .   3.440   2.540   3.840   .   .   .   .   .   A   .   9    DC   H2''   .   .   A   .   9    DC   H3'    .   .   .   9    .   H2''   .   .   .   .   .   9    .   H3'    .   .   rr_1lae   4    
     43   1   .    .   1   1   9    9    DC   H2''   H   .   .   .   1   1   9    9    DC   H4'    H   .   .   .   .   .   3.610   3.310   3.910   .   .   .   .   .   A   .   9    DC   H2''   .   .   A   .   9    DC   H4'    .   .   .   9    .   H2''   .   .   .   .   .   9    .   H4'    .   .   rr_1lae   4    
     44   1   .    .   1   1   9    9    DC   H5''   H   .   .   .   1   1   9    9    DC   H5     H   .   .   .   .   .   4.510   4.020   5.000   .   .   .   .   .   A   .   9    DC   H5''   .   .   A   .   9    DC   H5     .   .   .   9    .   H5''   .   .   .   .   .   9    .   H5     .   .   rr_1lae   4    
     45   1   .    .   1   1   10   10   DC   H5     H   .   .   .   1   1   10   10   DC   H2''   H   .   .   .   .   .   5.590   4.760   5.200   .   .   .   .   .   A   .   10   DC   H5     .   .   A   .   10   DC   H2''   .   .   .   10   .   H5     .   .   .   .   .   10   .   H2''   .   .   rr_1lae   4    
     46   1   .    .   1   1   10   10   DC   H1'    H   .   .   .   1   1   11   11   DG   H5''   H   .   .   .   .   .   4.500   3.800   5.200   .   .   .   .   .   A   .   10   DC   H1'    .   .   A   .   11   DG   H5''   .   .   .   10   .   H1'    .   .   .   .   .   11   .   H5''   .   .   rr_1lae   4    
     47   1   .    .   1   1   11   11   DG   H1'    H   .   .   .   1   1   11   11   DG   H2'    H   .   .   .   .   .   2.400   2.100   3.200   .   .   .   .   .   A   .   11   DG   H1'    .   .   A   .   11   DG   H2'    .   .   .   11   .   H1'    .   .   .   .   .   11   .   H2'    .   .   rr_1lae   4    
     48   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   11   11   DG   H2'    H   .   .   .   .   .   2.470   2.170   2.770   .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   11   DG   H2'    .   .   .   11   .   H8     .   .   .   .   .   11   .   H2'    .   .   rr_1lae   4    
     49   1   .    .   1   1   11   11   DG   H1'    H   .   .   .   1   1   11   11   DG   H2''   H   .   .   .   .   .   2.240   1.940   2.540   .   .   .   .   .   A   .   11   DG   H1'    .   .   A   .   11   DG   H2''   .   .   .   11   .   H1'    .   .   .   .   .   11   .   H2''   .   .   rr_1lae   4    
     50   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   11   11   DG   H2''   H   .   .   .   .   .   3.710   3.410   4.010   .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   11   DG   H2''   .   .   .   11   .   H8     .   .   .   .   .   11   .   H2''   .   .   rr_1lae   4    
     51   1   .    .   1   1   11   11   DG   H4'    H   .   .   .   1   1   11   11   DG   H1'    H   .   .   .   .   .   3.090   2.790   3.390   .   .   .   .   .   A   .   11   DG   H4'    .   .   A   .   11   DG   H1'    .   .   .   11   .   H4'    .   .   .   .   .   11   .   H1'    .   .   rr_1lae   4    
     52   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   11   11   DG   H5'    H   .   .   .   .   .   4.980   3.890   5.200   .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   11   DG   H5'    .   .   .   11   .   H8     .   .   .   .   .   11   .   H5'    .   .   rr_1lae   4    
     53   1   .    .   1   1   11   11   DG   H8     H   .   .   .   1   1   11   11   DG   H5''   H   .   .   .   .   .   4.160   3.810   4.510   .   .   .   .   .   A   .   11   DG   H8     .   .   A   .   11   DG   H5''   .   .   .   11   .   H8     .   .   .   .   .   11   .   H5''   .   .   rr_1lae   4    
     54   1   .    .   1   1   11   11   DG   H1'    H   .   .   .   1   1   12   12   DC   H5''   H   .   .   .   .   .   4.150   3.070   5.200   .   .   .   .   .   A   .   11   DG   H1'    .   .   A   .   12   DC   H5''   .   .   .   11   .   H1'    .   .   .   .   .   12   .   H5''   .   .   rr_1lae   4    
     55   1   .    .   1   1   11   11   DG   H1'    H   .   .   .   1   1   12   12   DC   H6     H   .   .   .   .   .   3.520   3.220   3.820   .   .   .   .   .   A   .   11   DG   H1'    .   .   A   .   12   DC   H6     .   .   .   11   .   H1'    .   .   .   .   .   12   .   H6     .   .   rr_1lae   4    
     56   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   11   11   DG   H2'    H   .   .   .   .   .   3.750   3.450   4.050   .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   11   DG   H2'    .   .   .   12   .   H6     .   .   .   .   .   11   .   H2'    .   .   rr_1lae   4    
     57   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   11   11   DG   H2''   H   .   .   .   .   .   2.640   2.340   2.940   .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   11   DG   H2''   .   .   .   12   .   H6     .   .   .   .   .   11   .   H2''   .   .   rr_1lae   4    
     58   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   12   12   DC   H2''   H   .   .   .   .   .   2.720   2.420   3.520   .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   12   DC   H2''   .   .   .   12   .   H6     .   .   .   .   .   12   .   H2''   .   .   rr_1lae   4    
     59   1   .    .   1   1   12   12   DC   H1'    H   .   .   .   1   1   12   12   DC   H3'    H   .   .   .   .   .   3.830   3.530   4.130   .   .   .   .   .   A   .   12   DC   H1'    .   .   A   .   12   DC   H3'    .   .   .   12   .   H1'    .   .   .   .   .   12   .   H3'    .   .   rr_1lae   4    
     60   1   .    .   1   1   12   12   DC   H2'    H   .   .   .   1   1   12   12   DC   H3'    H   .   .   .   .   .   2.430   2.130   2.730   .   .   .   .   .   A   .   12   DC   H2'    .   .   A   .   12   DC   H3'    .   .   .   12   .   H2'    .   .   .   .   .   12   .   H3'    .   .   rr_1lae   4    
     61   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   12   12   DC   H3'    H   .   .   .   .   .   3.420   3.120   3.720   .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   12   DC   H3'    .   .   .   12   .   H6     .   .   .   .   .   12   .   H3'    .   .   rr_1lae   4    
     62   1   .    .   1   1   12   12   DC   H1'    H   .   .   .   1   1   12   12   DC   H4'    H   .   .   .   .   .   2.770   2.470   4.070   .   .   .   .   .   A   .   12   DC   H1'    .   .   A   .   12   DC   H4'    .   .   .   12   .   H1'    .   .   .   .   .   12   .   H4'    .   .   rr_1lae   4    
     63   1   .    .   1   1   12   12   DC   H6     H   .   .   .   1   1   12   12   DC   H1'    H   .   .   .   .   .   3.740   3.440   4.040   .   .   .   .   .   A   .   12   DC   H6     .   .   A   .   12   DC   H1'    .   .   .   12   .   H6     .   .   .   .   .   12   .   H1'    .   .   rr_1lae   4    
     64   1   .    .   1   1   13   13   DG   H8     H   .   .   .   1   1   13   13   DG   H2'    H   .   .   .   .   .   2.370   2.270   2.670   .   .   .   .   .   A   .   13   DG   H8     .   .   A   .   13   DG   H2'    .   .   .   13   .   H8     .   .   .   .   .   13   .   H2'    .   .   rr_1lae   4    
     65   1   .    .   1   1   13   13   DG   H1'    H   .   .   .   1   1   13   13   DG   H2''   H   .   .   .   .   .   2.400   2.100   2.700   .   .   .   .   .   A   .   13   DG   H1'    .   .   A   .   13   DG   H2''   .   .   .   13   .   H1'    .   .   .   .   .   13   .   H2''   .   .   rr_1lae   4    
     66   1   .    .   1   1   13   13   DG   H2'    H   .   .   .   1   1   13   13   DG   H3'    H   .   .   .   .   .   2.480   2.180   2.780   .   .   .   .   .   A   .   13   DG   H2'    .   .   A   .   13   DG   H3'    .   .   .   13   .   H2'    .   .   .   .   .   13   .   H3'    .   .   rr_1lae   4    
     67   1   .    .   1   1   13   13   DG   H3'    H   .   .   .   1   1   13   13   DG   H2''   H   .   .   .   .   .   2.640   2.340   2.940   .   .   .   .   .   A   .   13   DG   H3'    .   .   A   .   13   DG   H2''   .   .   .   13   .   H3'    .   .   .   .   .   13   .   H2''   .   .   rr_1lae   4    
     68   1   .    .   1   1   13   13   DG   H2'    H   .   .   .   1   1   13   13   DG   H4'    H   .   .   .   .   .   4.050   3.360   4.750   .   .   .   .   .   A   .   13   DG   H2'    .   .   A   .   13   DG   H4'    .   .   .   13   .   H2'    .   .   .   .   .   13   .   H4'    .   .   rr_1lae   4    
     69   1   .    .   1   1   13   13   DG   H4'    H   .   .   .   1   1   13   13   DG   H2''   H   .   .   .   .   .   3.780   3.480   4.080   .   .   .   .   .   A   .   13   DG   H4'    .   .   A   .   13   DG   H2''   .   .   .   13   .   H4'    .   .   .   .   .   13   .   H2''   .   .   rr_1lae   4    
     70   1   .    .   1   1   13   13   DG   H3'    H   .   .   .   1   1   13   13   DG   H4'    H   .   .   .   .   .   2.720   2.000   3.450   .   .   .   .   .   A   .   13   DG   H3'    .   .   A   .   13   DG   H4'    .   .   .   13   .   H3'    .   .   .   .   .   13   .   H4'    .   .   rr_1lae   4    

   stop_

   loop_
      _Gen_dist_constraint_comment_org.ID
      _Gen_dist_constraint_comment_org.Comment_text
      _Gen_dist_constraint_comment_org.Comment_begin_line
      _Gen_dist_constraint_comment_org.Comment_begin_column
      _Gen_dist_constraint_comment_org.Comment_end_line
      _Gen_dist_constraint_comment_org.Comment_end_column
      _Gen_dist_constraint_comment_org.Entry_ID
      _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID

     1    'Class 3 Distance Restraints'                                              1    1    1    30   rr_1lae   4    
     2    +0.4                                                                       5    81   5    88   rr_1lae   4    
     3    +.8                                                                        8    81   8    87   rr_1lae   4    
     4    ub+0.5                                                                     9    81   9    90   rr_1lae   4    
     5    ub+0.5                                                                     11   81   11   90   rr_1lae   4    
     6    lb-0.2                                                                     12   81   12   90   rr_1lae   4    
     7    ub+1.0                                                                     17   81   17   90   rr_1lae   4    
     8    +0.6                                                                       18   81   18   88   rr_1lae   4    
     9    +1.5                                                                       24   81   24   88   rr_1lae   4    
     10   +1                                                                         34   81   34   86   rr_1lae   4    
     11   +0.5                                                                       35   81   35   88   rr_1lae   4    
     12   ub+0.5                                                                     42   81   42   90   rr_1lae   4    
     13   ub+0.3                                                                     45   81   45   90   rr_1lae   4    
     14   "assign ( resid 9 and name H2'' )( resid 9 and name H5 ) 4.02 0.44 0.44"   48   1    48   84   rr_1lae   4    
     15   lb-0.5                                                                     49   81   49   91   rr_1lae   4    
     16   man                                                                        53   81   53   87   rr_1lae   4    
     17   ub+0.5                                                                     54   81   54   90   rr_1lae   4    
     18   +1                                                                         57   81   57   86   rr_1lae   4    
     19   1.0                                                                        63   81   63   86   rr_1lae   4    
     20   ub+0.5                                                                     65   81   65   90   rr_1lae   4    
     21   ub+1.0                                                                     69   81   69   90   rr_1lae   4    
     22   -0.5                                                                       73   81   73   88   rr_1lae   4    
     23   -0.8                                                                       74   81   74   87   rr_1lae   4    
     24   +0.5                                                                       76   81   76   88   rr_1lae   4    
     25   -1.5                                                                       77   81   77   88   rr_1lae   4    

   stop_

save_

save_CNS/XPLOR_distance_constraints_6
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_6
   _Gen_dist_constraint_list.Entry_ID            rr_1lae
   _Gen_dist_constraint_list.ID                  5
   _Gen_dist_constraint_list.Constraint_type     'hydrogen bond'
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            6

   loop_
      _Gen_dist_constraint_software.Software_ID
      _Gen_dist_constraint_software.Software_label
      _Gen_dist_constraint_software.Method_ID
      _Gen_dist_constraint_software.Method_label
      _Gen_dist_constraint_software.Entry_ID
      _Gen_dist_constraint_software.Gen_dist_constraint_list_ID

     .   .   .   .   rr_1lae   5    

   stop_

   loop_
      _Gen_dist_constraint.ID
      _Gen_dist_constraint.Member_ID
      _Gen_dist_constraint.Member_logic_code
      _Gen_dist_constraint.Assembly_atom_ID_1
      _Gen_dist_constraint.Entity_assembly_ID_1
      _Gen_dist_constraint.Entity_ID_1
      _Gen_dist_constraint.Comp_index_ID_1
      _Gen_dist_constraint.Seq_ID_1
      _Gen_dist_constraint.Comp_ID_1
      _Gen_dist_constraint.Atom_ID_1
      _Gen_dist_constraint.Atom_type_1
      _Gen_dist_constraint.Atom_isotope_number_1
      _Gen_dist_constraint.Resonance_ID_1
      _Gen_dist_constraint.Assembly_atom_ID_2
      _Gen_dist_constraint.Entity_assembly_ID_2
      _Gen_dist_constraint.Entity_ID_2
      _Gen_dist_constraint.Comp_index_ID_2
      _Gen_dist_constraint.Seq_ID_2
      _Gen_dist_constraint.Comp_ID_2
      _Gen_dist_constraint.Atom_ID_2
      _Gen_dist_constraint.Atom_type_2
      _Gen_dist_constraint.Atom_isotope_number_2
      _Gen_dist_constraint.Resonance_ID_2
      _Gen_dist_constraint.Intensity_val
      _Gen_dist_constraint.Intensity_lower_val_err
      _Gen_dist_constraint.Intensity_upper_val_err
      _Gen_dist_constraint.Distance_val
      _Gen_dist_constraint.Distance_lower_bound_val
      _Gen_dist_constraint.Distance_upper_bound_val
      _Gen_dist_constraint.Contribution_fractional_val
      _Gen_dist_constraint.Spectral_peak_ID
      _Gen_dist_constraint.Spectral_peak_list_ID
      _Gen_dist_constraint.PDB_record_ID_1
      _Gen_dist_constraint.PDB_model_num_1
      _Gen_dist_constraint.PDB_strand_ID_1
      _Gen_dist_constraint.PDB_ins_code_1
      _Gen_dist_constraint.PDB_residue_no_1
      _Gen_dist_constraint.PDB_residue_name_1
      _Gen_dist_constraint.PDB_atom_name_1
      _Gen_dist_constraint.PDB_record_ID_2
      _Gen_dist_constraint.PDB_model_num_2
      _Gen_dist_constraint.PDB_strand_ID_2
      _Gen_dist_constraint.PDB_ins_code_2
      _Gen_dist_constraint.PDB_residue_no_2
      _Gen_dist_constraint.PDB_residue_name_2
      _Gen_dist_constraint.PDB_atom_name_2
      _Gen_dist_constraint.Auth_entity_assembly_ID_1
      _Gen_dist_constraint.Auth_asym_ID_1
      _Gen_dist_constraint.Auth_chain_ID_1
      _Gen_dist_constraint.Auth_seq_ID_1
      _Gen_dist_constraint.Auth_comp_ID_1
      _Gen_dist_constraint.Auth_atom_ID_1
      _Gen_dist_constraint.Auth_alt_ID_1
      _Gen_dist_constraint.Auth_atom_name_1
      _Gen_dist_constraint.Auth_entity_assembly_ID_2
      _Gen_dist_constraint.Auth_asym_ID_2
      _Gen_dist_constraint.Auth_chain_ID_2
      _Gen_dist_constraint.Auth_seq_ID_2
      _Gen_dist_constraint.Auth_comp_ID_2
      _Gen_dist_constraint.Auth_atom_ID_2
      _Gen_dist_constraint.Auth_alt_ID_2
      _Gen_dist_constraint.Auth_atom_name_2
      _Gen_dist_constraint.Entry_ID
      _Gen_dist_constraint.Gen_dist_constraint_list_ID

     1    1   .   .   1   1   1    1    DC   N4   N   .   .   .   1   1   13   13   DG   O6   O   .   .   .   .   .   2.91   2.86   2.96   .   .   .   .   .   A   .   1    DC   N4   .   .   A   .   13   DG   O6   .   .   .   1    .   N4   .   .   .   .   .   13   .   O6   .   .   rr_1lae   5    
     2    1   .   .   1   1   1    1    DC   N3   N   .   .   .   1   1   13   13   DG   N1   N   .   .   .   .   .   2.95   2.90   3.00   .   .   .   .   .   A   .   1    DC   N3   .   .   A   .   13   DG   N1   .   .   .   1    .   N3   .   .   .   .   .   13   .   N1   .   .   rr_1lae   5    
     3    1   .   .   1   1   1    1    DC   O2   O   .   .   .   1   1   13   13   DG   N2   N   .   .   .   .   .   2.86   2.81   2.91   .   .   .   .   .   A   .   1    DC   O2   .   .   A   .   13   DG   N2   .   .   .   1    .   O2   .   .   .   .   .   13   .   N2   .   .   rr_1lae   5    
     4    1   .   .   1   1   1    1    DC   N3   N   .   .   .   1   1   13   13   DG   N2   N   .   .   .   .   .   3.65   3.60   3.70   .   .   .   .   .   A   .   1    DC   N3   .   .   A   .   13   DG   N2   .   .   .   1    .   N3   .   .   .   .   .   13   .   N2   .   .   rr_1lae   5    
     5    1   .   .   1   1   13   13   DG   O6   O   .   .   .   1   1   1    1    DC   O2   O   .   .   .   .   .   5.42   5.37   5.47   .   .   .   .   .   A   .   13   DG   O6   .   .   A   .   1    DC   O2   .   .   .   13   .   O6   .   .   .   .   .   1    .   O2   .   .   rr_1lae   5    
     6    1   .   .   1   1   2    2    DG   O6   O   .   .   .   1   1   12   12   DC   N4   N   .   .   .   .   .   2.91   2.86   2.96   .   .   .   .   .   A   .   2    DG   O6   .   .   A   .   12   DC   N4   .   .   .   2    .   O6   .   .   .   .   .   12   .   N4   .   .   rr_1lae   5    
     7    1   .   .   1   1   2    2    DG   N1   N   .   .   .   1   1   12   12   DC   N3   N   .   .   .   .   .   2.95   2.90   3.00   .   .   .   .   .   A   .   2    DG   N1   .   .   A   .   12   DC   N3   .   .   .   2    .   N1   .   .   .   .   .   12   .   N3   .   .   rr_1lae   5    
     8    1   .   .   1   1   2    2    DG   N2   N   .   .   .   1   1   12   12   DC   O2   O   .   .   .   .   .   2.86   2.81   2.91   .   .   .   .   .   A   .   2    DG   N2   .   .   A   .   12   DC   O2   .   .   .   2    .   N2   .   .   .   .   .   12   .   O2   .   .   rr_1lae   5    
     9    1   .   .   1   1   12   12   DC   N3   N   .   .   .   1   1   2    2    DG   N2   N   .   .   .   .   .   3.65   3.60   3.70   .   .   .   .   .   A   .   12   DC   N3   .   .   A   .   2    DG   N2   .   .   .   12   .   N3   .   .   .   .   .   2    .   N2   .   .   rr_1lae   5    
     10   1   .   .   1   1   2    2    DG   O6   O   .   .   .   1   1   12   12   DC   O2   O   .   .   .   .   .   5.42   5.37   5.47   .   .   .   .   .   A   .   2    DG   O6   .   .   A   .   12   DC   O2   .   .   .   2    .   O6   .   .   .   .   .   12   .   O2   .   .   rr_1lae   5    
     11   1   .   .   1   1   3    3    DC   N4   N   .   .   .   1   1   11   11   DG   O6   O   .   .   .   .   .   2.91   2.86   2.96   .   .   .   .   .   A   .   3    DC   N4   .   .   A   .   11   DG   O6   .   .   .   3    .   N4   .   .   .   .   .   11   .   O6   .   .   rr_1lae   5    
     12   1   .   .   1   1   3    3    DC   N3   N   .   .   .   1   1   11   11   DG   N1   N   .   .   .   .   .   2.95   2.90   3.00   .   .   .   .   .   A   .   3    DC   N3   .   .   A   .   11   DG   N1   .   .   .   3    .   N3   .   .   .   .   .   11   .   N1   .   .   rr_1lae   5    
     13   1   .   .   1   1   3    3    DC   O2   O   .   .   .   1   1   11   11   DG   N2   N   .   .   .   .   .   2.86   2.81   2.91   .   .   .   .   .   A   .   3    DC   O2   .   .   A   .   11   DG   N2   .   .   .   3    .   O2   .   .   .   .   .   11   .   N2   .   .   rr_1lae   5    
     14   1   .   .   1   1   3    3    DC   N3   N   .   .   .   1   1   11   11   DG   N2   N   .   .   .   .   .   3.65   3.60   3.70   .   .   .   .   .   A   .   3    DC   N3   .   .   A   .   11   DG   N2   .   .   .   3    .   N3   .   .   .   .   .   11   .   N2   .   .   rr_1lae   5    
     15   1   .   .   1   1   11   11   DG   O6   O   .   .   .   1   1   3    3    DC   O2   O   .   .   .   .   .   5.42   5.37   5.47   .   .   .   .   .   A   .   11   DG   O6   .   .   A   .   3    DC   O2   .   .   .   11   .   O6   .   .   .   .   .   3    .   O2   .   .   rr_1lae   5    
     16   1   .   .   1   1   4    4    DG   O6   O   .   .   .   1   1   10   10   DC   N4   N   .   .   .   .   .   2.91   2.86   2.96   .   .   .   .   .   A   .   4    DG   O6   .   .   A   .   10   DC   N4   .   .   .   4    .   O6   .   .   .   .   .   10   .   N4   .   .   rr_1lae   5    
     17   1   .   .   1   1   4    4    DG   N1   N   .   .   .   1   1   10   10   DC   N3   N   .   .   .   .   .   2.95   2.90   3.00   .   .   .   .   .   A   .   4    DG   N1   .   .   A   .   10   DC   N3   .   .   .   4    .   N1   .   .   .   .   .   10   .   N3   .   .   rr_1lae   5    
     18   1   .   .   1   1   4    4    DG   N2   N   .   .   .   1   1   10   10   DC   O2   O   .   .   .   .   .   2.86   2.81   2.91   .   .   .   .   .   A   .   4    DG   N2   .   .   A   .   10   DC   O2   .   .   .   4    .   N2   .   .   .   .   .   10   .   O2   .   .   rr_1lae   5    
     19   1   .   .   1   1   10   10   DC   N3   N   .   .   .   1   1   4    4    DG   N2   N   .   .   .   .   .   3.65   3.60   3.70   .   .   .   .   .   A   .   10   DC   N3   .   .   A   .   4    DG   N2   .   .   .   10   .   N3   .   .   .   .   .   4    .   N2   .   .   rr_1lae   5    
     20   1   .   .   1   1   4    4    DG   O6   O   .   .   .   1   1   10   10   DC   O2   O   .   .   .   .   .   5.42   5.37   5.47   .   .   .   .   .   A   .   4    DG   O6   .   .   A   .   10   DC   O2   .   .   .   4    .   O6   .   .   .   .   .   10   .   O2   .   .   rr_1lae   5    
     21   1   .   .   1   1   5    5    DG   O6   O   .   .   .   1   1   9    9    DC   N4   N   .   .   .   .   .   2.91   2.81   3.01   .   .   .   .   .   A   .   5    DG   O6   .   .   A   .   9    DC   N4   .   .   .   5    .   O6   .   .   .   .   .   9    .   N4   .   .   rr_1lae   5    
     22   1   .   .   1   1   5    5    DG   N1   N   .   .   .   1   1   9    9    DC   N3   N   .   .   .   .   .   2.95   2.85   3.05   .   .   .   .   .   A   .   5    DG   N1   .   .   A   .   9    DC   N3   .   .   .   5    .   N1   .   .   .   .   .   9    .   N3   .   .   rr_1lae   5    
     23   1   .   .   1   1   5    5    DG   N2   N   .   .   .   1   1   9    9    DC   O2   O   .   .   .   .   .   2.86   2.76   2.96   .   .   .   .   .   A   .   5    DG   N2   .   .   A   .   9    DC   O2   .   .   .   5    .   N2   .   .   .   .   .   9    .   O2   .   .   rr_1lae   5    
     24   1   .   .   1   1   9    9    DC   N3   N   .   .   .   1   1   5    5    DG   N2   N   .   .   .   .   .   3.65   3.55   3.75   .   .   .   .   .   A   .   9    DC   N3   .   .   A   .   5    DG   N2   .   .   .   9    .   N3   .   .   .   .   .   5    .   N2   .   .   rr_1lae   5    
     25   1   .   .   1   1   5    5    DG   O6   O   .   .   .   1   1   9    9    DC   O2   O   .   .   .   .   .   5.42   5.32   5.52   .   .   .   .   .   A   .   5    DG   O6   .   .   A   .   9    DC   O2   .   .   .   5    .   O6   .   .   .   .   .   9    .   O2   .   .   rr_1lae   5    

   stop_

   loop_
      _Gen_dist_constraint_comment_org.ID
      _Gen_dist_constraint_comment_org.Comment_text
      _Gen_dist_constraint_comment_org.Comment_begin_line
      _Gen_dist_constraint_comment_org.Comment_begin_column
      _Gen_dist_constraint_comment_org.Comment_end_line
      _Gen_dist_constraint_comment_org.Comment_end_column
      _Gen_dist_constraint_comment_org.Entry_ID
      _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID

     1   'Base Pairing Distance Restraints'   1   1   1   35   rr_1lae   5    

   stop_

save_

save_CNS/XPLOR_dihedral_8
   _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
   _Torsion_angle_constraint_list.Sf_framecode        CNS/XPLOR_dihedral_8
   _Torsion_angle_constraint_list.Entry_ID            rr_1lae
   _Torsion_angle_constraint_list.ID                  1
   _Torsion_angle_constraint_list.Details             'Generated by Wattos'
   _Torsion_angle_constraint_list.Constraint_file_ID  1
   _Torsion_angle_constraint_list.Block_ID            8

   loop_
      _Torsion_angle_constraint_software.Software_ID
      _Torsion_angle_constraint_software.Software_label
      _Torsion_angle_constraint_software.Method_ID
      _Torsion_angle_constraint_software.Method_label
      _Torsion_angle_constraint_software.Entry_ID
      _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID

     .   .   .   .   rr_1lae   1    

   stop_

   loop_
      _Torsion_angle_constraint.ID
      _Torsion_angle_constraint.Torsion_angle_name
      _Torsion_angle_constraint.Assembly_atom_ID_1
      _Torsion_angle_constraint.Entity_assembly_ID_1
      _Torsion_angle_constraint.Entity_ID_1
      _Torsion_angle_constraint.Comp_index_ID_1
      _Torsion_angle_constraint.Seq_ID_1
      _Torsion_angle_constraint.Comp_ID_1
      _Torsion_angle_constraint.Atom_ID_1
      _Torsion_angle_constraint.Atom_type_1
      _Torsion_angle_constraint.Resonance_ID_1
      _Torsion_angle_constraint.Assembly_atom_ID_2
      _Torsion_angle_constraint.Entity_assembly_ID_2
      _Torsion_angle_constraint.Entity_ID_2
      _Torsion_angle_constraint.Comp_index_ID_2
      _Torsion_angle_constraint.Seq_ID_2
      _Torsion_angle_constraint.Comp_ID_2
      _Torsion_angle_constraint.Atom_ID_2
      _Torsion_angle_constraint.Atom_type_2
      _Torsion_angle_constraint.Resonance_ID_2
      _Torsion_angle_constraint.Assembly_atom_ID_3
      _Torsion_angle_constraint.Entity_assembly_ID_3
      _Torsion_angle_constraint.Entity_ID_3
      _Torsion_angle_constraint.Comp_index_ID_3
      _Torsion_angle_constraint.Seq_ID_3
      _Torsion_angle_constraint.Comp_ID_3
      _Torsion_angle_constraint.Atom_ID_3
      _Torsion_angle_constraint.Atom_type_3
      _Torsion_angle_constraint.Resonance_ID_3
      _Torsion_angle_constraint.Assembly_atom_ID_4
      _Torsion_angle_constraint.Entity_assembly_ID_4
      _Torsion_angle_constraint.Entity_ID_4
      _Torsion_angle_constraint.Comp_index_ID_4
      _Torsion_angle_constraint.Seq_ID_4
      _Torsion_angle_constraint.Comp_ID_4
      _Torsion_angle_constraint.Atom_ID_4
      _Torsion_angle_constraint.Atom_type_4
      _Torsion_angle_constraint.Resonance_ID_4
      _Torsion_angle_constraint.Angle_lower_bound_val
      _Torsion_angle_constraint.Angle_upper_bound_val
      _Torsion_angle_constraint.Source_experiment_ID
      _Torsion_angle_constraint.PDB_record_ID_1
      _Torsion_angle_constraint.PDB_model_num_1
      _Torsion_angle_constraint.PDB_strand_ID_1
      _Torsion_angle_constraint.PDB_ins_code_1
      _Torsion_angle_constraint.PDB_residue_no_1
      _Torsion_angle_constraint.PDB_residue_name_1
      _Torsion_angle_constraint.PDB_atom_name_1
      _Torsion_angle_constraint.PDB_record_ID_2
      _Torsion_angle_constraint.PDB_model_num_2
      _Torsion_angle_constraint.PDB_strand_ID_2
      _Torsion_angle_constraint.PDB_ins_code_2
      _Torsion_angle_constraint.PDB_residue_no_2
      _Torsion_angle_constraint.PDB_residue_name_2
      _Torsion_angle_constraint.PDB_atom_name_2
      _Torsion_angle_constraint.PDB_record_ID_3
      _Torsion_angle_constraint.PDB_model_num_3
      _Torsion_angle_constraint.PDB_strand_ID_3
      _Torsion_angle_constraint.PDB_ins_code_3
      _Torsion_angle_constraint.PDB_residue_no_3
      _Torsion_angle_constraint.PDB_residue_name_3
      _Torsion_angle_constraint.PDB_atom_name_3
      _Torsion_angle_constraint.PDB_record_ID_4
      _Torsion_angle_constraint.PDB_model_num_4
      _Torsion_angle_constraint.PDB_strand_ID_4
      _Torsion_angle_constraint.PDB_ins_code_4
      _Torsion_angle_constraint.PDB_residue_no_4
      _Torsion_angle_constraint.PDB_residue_name_4
      _Torsion_angle_constraint.PDB_atom_name_4
      _Torsion_angle_constraint.Auth_entity_assembly_ID_1
      _Torsion_angle_constraint.Auth_asym_ID_1
      _Torsion_angle_constraint.Auth_chain_ID_1
      _Torsion_angle_constraint.Auth_seq_ID_1
      _Torsion_angle_constraint.Auth_comp_ID_1
      _Torsion_angle_constraint.Auth_atom_ID_1
      _Torsion_angle_constraint.Auth_alt_ID_1
      _Torsion_angle_constraint.Auth_atom_name_1
      _Torsion_angle_constraint.Auth_entity_assembly_ID_2
      _Torsion_angle_constraint.Auth_asym_ID_2
      _Torsion_angle_constraint.Auth_chain_ID_2
      _Torsion_angle_constraint.Auth_seq_ID_2
      _Torsion_angle_constraint.Auth_comp_ID_2
      _Torsion_angle_constraint.Auth_atom_ID_2
      _Torsion_angle_constraint.Auth_alt_ID_2
      _Torsion_angle_constraint.Auth_atom_name_2
      _Torsion_angle_constraint.Auth_entity_assembly_ID_3
      _Torsion_angle_constraint.Auth_asym_ID_3
      _Torsion_angle_constraint.Auth_chain_ID_3
      _Torsion_angle_constraint.Auth_seq_ID_3
      _Torsion_angle_constraint.Auth_comp_ID_3
      _Torsion_angle_constraint.Auth_atom_ID_3
      _Torsion_angle_constraint.Auth_alt_ID_3
      _Torsion_angle_constraint.Auth_atom_name_3
      _Torsion_angle_constraint.Auth_entity_assembly_ID_4
      _Torsion_angle_constraint.Auth_asym_ID_4
      _Torsion_angle_constraint.Auth_chain_ID_4
      _Torsion_angle_constraint.Auth_seq_ID_4
      _Torsion_angle_constraint.Auth_comp_ID_4
      _Torsion_angle_constraint.Auth_atom_ID_4
      _Torsion_angle_constraint.Auth_alt_ID_4
      _Torsion_angle_constraint.Auth_atom_name_4
      _Torsion_angle_constraint.Entry_ID
      _Torsion_angle_constraint.Torsion_angle_constraint_list_ID

     1    .   .   1   1   1    1    DC   C4'   C   .   .   1   1   1    1    DC   C3'   C   .   .   1   1   1    1    DC   O3'   O   .   .   1   1   2    2    DG   P     P   .   -162.0   -152.0   .   .   .   A   .   1    DC   C4'   .   .   A   .   1    DC   C3'   .   .   A   .   1    DC   O3'   .   .   A   .   2    DG   P     .   .   .   1    .   C4'   .   .   .   .   .   1    .   C3'   .   .   .   .   .   1    .   O3'   .   .   .   .   .   2    .   P     .   .   rr_1lae   1    
     2    .   .   1   1   2    2    DG   C4'   C   .   .   1   1   2    2    DG   C3'   C   .   .   1   1   2    2    DG   O3'   O   .   .   1   1   3    3    DC   P     P   .   -171.0   -161.0   .   .   .   A   .   2    DG   C4'   .   .   A   .   2    DG   C3'   .   .   A   .   2    DG   O3'   .   .   A   .   3    DC   P     .   .   .   2    .   C4'   .   .   .   .   .   2    .   C3'   .   .   .   .   .   2    .   O3'   .   .   .   .   .   3    .   P     .   .   rr_1lae   1    
     3    .   .   1   1   3    3    DC   C4'   C   .   .   1   1   3    3    DC   C3'   C   .   .   1   1   3    3    DC   O3'   O   .   .   1   1   4    4    DG   P     P   .   -163.0   -153.0   .   .   .   A   .   3    DC   C4'   .   .   A   .   3    DC   C3'   .   .   A   .   3    DC   O3'   .   .   A   .   4    DG   P     .   .   .   3    .   C4'   .   .   .   .   .   3    .   C3'   .   .   .   .   .   3    .   O3'   .   .   .   .   .   4    .   P     .   .   rr_1lae   1    
     4    .   .   1   1   4    4    DG   C4'   C   .   .   1   1   4    4    DG   C3'   C   .   .   1   1   4    4    DG   O3'   O   .   .   1   1   5    5    DG   P     P   .   -164.5   -154.5   .   .   .   A   .   4    DG   C4'   .   .   A   .   4    DG   C3'   .   .   A   .   4    DG   O3'   .   .   A   .   5    DG   P     .   .   .   4    .   C4'   .   .   .   .   .   4    .   C3'   .   .   .   .   .   4    .   O3'   .   .   .   .   .   5    .   P     .   .   rr_1lae   1    
     5    .   .   1   1   5    5    DG   C4'   C   .   .   1   1   5    5    DG   C3'   C   .   .   1   1   5    5    DG   O3'   O   .   .   1   1   6    6    DT   P     P   .   -160.5   -150.5   .   .   .   A   .   5    DG   C4'   .   .   A   .   5    DG   C3'   .   .   A   .   5    DG   O3'   .   .   A   .   6    DT   P     .   .   .   5    .   C4'   .   .   .   .   .   5    .   C3'   .   .   .   .   .   5    .   O3'   .   .   .   .   .   6    .   P     .   .   rr_1lae   1    
     6    .   .   1   1   6    6    DT   C4'   C   .   .   1   1   6    6    DT   C3'   C   .   .   1   1   6    6    DT   O3'   O   .   .   1   1   7    7    P    P     P   .   -156.0   -146.0   .   .   .   A   .   6    DT   C4'   .   .   A   .   6    DT   C3'   .   .   A   .   6    DT   O3'   .   .   A   .   7    P    P     .   .   .   6    .   C4'   .   .   .   .   .   6    .   C3'   .   .   .   .   .   6    .   O3'   .   .   .   .   .   7    .   P     .   .   rr_1lae   1    
     7    .   .   1   1   7    7    P    C4'   C   .   .   1   1   7    7    P    C3'   C   .   .   1   1   7    7    P    O3'   O   .   .   1   1   8    8    DT   P     P   .   -166.5   -156.5   .   .   .   A   .   7    P    C4'   .   .   A   .   7    P    C3'   .   .   A   .   7    P    O3'   .   .   A   .   8    DT   P     .   .   .   7    .   C4'   .   .   .   .   .   7    .   C3'   .   .   .   .   .   7    .   O3'   .   .   .   .   .   8    .   P     .   .   rr_1lae   1    
     8    .   .   1   1   8    8    DT   C4'   C   .   .   1   1   8    8    DT   C3'   C   .   .   1   1   8    8    DT   O3'   O   .   .   1   1   9    9    DC   P     P   .   -152.5   -142.5   .   .   .   A   .   8    DT   C4'   .   .   A   .   8    DT   C3'   .   .   A   .   8    DT   O3'   .   .   A   .   9    DC   P     .   .   .   8    .   C4'   .   .   .   .   .   8    .   C3'   .   .   .   .   .   8    .   O3'   .   .   .   .   .   9    .   P     .   .   rr_1lae   1    
     9    .   .   1   1   9    9    DC   C4'   C   .   .   1   1   9    9    DC   C3'   C   .   .   1   1   9    9    DC   O3'   O   .   .   1   1   10   10   DC   P     P   .   -166.0   -156.0   .   .   .   A   .   9    DC   C4'   .   .   A   .   9    DC   C3'   .   .   A   .   9    DC   O3'   .   .   A   .   10   DC   P     .   .   .   9    .   C4'   .   .   .   .   .   9    .   C3'   .   .   .   .   .   9    .   O3'   .   .   .   .   .   10   .   P     .   .   rr_1lae   1    
     10   .   .   1   1   10   10   DC   C4'   C   .   .   1   1   10   10   DC   C3'   C   .   .   1   1   10   10   DC   O3'   O   .   .   1   1   11   11   DG   P     P   .   -163.0   -153.0   .   .   .   A   .   10   DC   C4'   .   .   A   .   10   DC   C3'   .   .   A   .   10   DC   O3'   .   .   A   .   11   DG   P     .   .   .   10   .   C4'   .   .   .   .   .   10   .   C3'   .   .   .   .   .   10   .   O3'   .   .   .   .   .   11   .   P     .   .   rr_1lae   1    
     11   .   .   1   1   11   11   DG   C4'   C   .   .   1   1   11   11   DG   C3'   C   .   .   1   1   11   11   DG   O3'   O   .   .   1   1   12   12   DC   P     P   .   -169.5   -159.5   .   .   .   A   .   11   DG   C4'   .   .   A   .   11   DG   C3'   .   .   A   .   11   DG   O3'   .   .   A   .   12   DC   P     .   .   .   11   .   C4'   .   .   .   .   .   11   .   C3'   .   .   .   .   .   11   .   O3'   .   .   .   .   .   12   .   P     .   .   rr_1lae   1    
     12   .   .   1   1   12   12   DC   C4'   C   .   .   1   1   12   12   DC   C3'   C   .   .   1   1   12   12   DC   O3'   O   .   .   1   1   13   13   DG   P     P   .   -162.0   -152.0   .   .   .   A   .   12   DC   C4'   .   .   A   .   12   DC   C3'   .   .   A   .   12   DC   O3'   .   .   A   .   13   DG   P     .   .   .   12   .   C4'   .   .   .   .   .   12   .   C3'   .   .   .   .   .   12   .   O3'   .   .   .   .   .   13   .   P     .   .   rr_1lae   1    
     13   .   .   1   1   1    1    DC   C3'   C   .   .   1   1   1    1    DC   O3'   O   .   .   1   1   2    2    DG   P     P   .   .   1   1   2    2    DG   O5'   O   .   -129.0   -119.0   .   .   .   A   .   1    DC   C3'   .   .   A   .   1    DC   O3'   .   .   A   .   2    DG   P     .   .   A   .   2    DG   O5'   .   .   .   1    .   C3'   .   .   .   .   .   1    .   O3'   .   .   .   .   .   2    .   P     .   .   .   .   .   2    .   O5'   .   .   rr_1lae   1    
     14   .   .   1   1   2    2    DG   C3'   C   .   .   1   1   2    2    DG   O3'   O   .   .   1   1   3    3    DC   P     P   .   .   1   1   3    3    DC   O5'   O   .   -118.0   -108.0   .   .   .   A   .   2    DG   C3'   .   .   A   .   2    DG   O3'   .   .   A   .   3    DC   P     .   .   A   .   3    DC   O5'   .   .   .   2    .   C3'   .   .   .   .   .   2    .   O3'   .   .   .   .   .   3    .   P     .   .   .   .   .   3    .   O5'   .   .   rr_1lae   1    
     15   .   .   1   1   3    3    DC   C3'   C   .   .   1   1   3    3    DC   O3'   O   .   .   1   1   4    4    DG   P     P   .   .   1   1   4    4    DG   O5'   O   .   -128.0   -118.0   .   .   .   A   .   3    DC   C3'   .   .   A   .   3    DC   O3'   .   .   A   .   4    DG   P     .   .   A   .   4    DG   O5'   .   .   .   3    .   C3'   .   .   .   .   .   3    .   O3'   .   .   .   .   .   4    .   P     .   .   .   .   .   4    .   O5'   .   .   rr_1lae   1    
     16   .   .   1   1   4    4    DG   C3'   C   .   .   1   1   4    4    DG   O3'   O   .   .   1   1   5    5    DG   P     P   .   .   1   1   5    5    DG   O5'   O   .   -131.0   -111.0   .   .   .   A   .   4    DG   C3'   .   .   A   .   4    DG   O3'   .   .   A   .   5    DG   P     .   .   A   .   5    DG   O5'   .   .   .   4    .   C3'   .   .   .   .   .   4    .   O3'   .   .   .   .   .   5    .   P     .   .   .   .   .   5    .   O5'   .   .   rr_1lae   1    
     17   .   .   1   1   5    5    DG   C3'   C   .   .   1   1   5    5    DG   O3'   O   .   .   1   1   6    6    DT   P     P   .   .   1   1   6    6    DT   O5'   O   .   -136.0   -116.0   .   .   .   A   .   5    DG   C3'   .   .   A   .   5    DG   O3'   .   .   A   .   6    DT   P     .   .   A   .   6    DT   O5'   .   .   .   5    .   C3'   .   .   .   .   .   5    .   O3'   .   .   .   .   .   6    .   P     .   .   .   .   .   6    .   O5'   .   .   rr_1lae   1    
     18   .   .   1   1   9    9    DC   C3'   C   .   .   1   1   9    9    DC   O3'   O   .   .   1   1   10   10   DC   P     P   .   .   1   1   10   10   DC   O5'   O   .   -129.0   -109.0   .   .   .   A   .   9    DC   C3'   .   .   A   .   9    DC   O3'   .   .   A   .   10   DC   P     .   .   A   .   10   DC   O5'   .   .   .   9    .   C3'   .   .   .   .   .   9    .   O3'   .   .   .   .   .   10   .   P     .   .   .   .   .   10   .   O5'   .   .   rr_1lae   1    
     19   .   .   1   1   10   10   DC   C3'   C   .   .   1   1   10   10   DC   O3'   O   .   .   1   1   11   11   DG   P     P   .   .   1   1   11   11   DG   O5'   O   .   -128.0   -118.0   .   .   .   A   .   10   DC   C3'   .   .   A   .   10   DC   O3'   .   .   A   .   11   DG   P     .   .   A   .   11   DG   O5'   .   .   .   10   .   C3'   .   .   .   .   .   10   .   O3'   .   .   .   .   .   11   .   P     .   .   .   .   .   11   .   O5'   .   .   rr_1lae   1    
     20   .   .   1   1   11   11   DG   C3'   C   .   .   1   1   11   11   DG   O3'   O   .   .   1   1   12   12   DC   P     P   .   .   1   1   12   12   DC   O5'   O   .   -120.0   -110.0   .   .   .   A   .   11   DG   C3'   .   .   A   .   11   DG   O3'   .   .   A   .   12   DC   P     .   .   A   .   12   DC   O5'   .   .   .   11   .   C3'   .   .   .   .   .   11   .   O3'   .   .   .   .   .   12   .   P     .   .   .   .   .   12   .   O5'   .   .   rr_1lae   1    
     21   .   .   1   1   12   12   DC   C3'   C   .   .   1   1   12   12   DC   O3'   O   .   .   1   1   13   13   DG   P     P   .   .   1   1   13   13   DG   O5'   O   .   -126.0   -116.0   .   .   .   A   .   12   DC   C3'   .   .   A   .   12   DC   O3'   .   .   A   .   13   DG   P     .   .   A   .   13   DG   O5'   .   .   .   12   .   C3'   .   .   .   .   .   12   .   O3'   .   .   .   .   .   13   .   P     .   .   .   .   .   13   .   O5'   .   .   rr_1lae   1    
     22   .   .   1   1   1    1    DC   O5'   O   .   .   1   1   1    1    DC   C5'   C   .   .   1   1   1    1    DC   C4'   C   .   .   1   1   1    1    DC   C3'   C   .   0.0      120.0    .   .   .   A   .   1    DC   O5'   .   .   A   .   1    DC   C5'   .   .   A   .   1    DC   C4'   .   .   A   .   1    DC   C3'   .   .   .   1    .   O5'   .   .   .   .   .   1    .   C5'   .   .   .   .   .   1    .   C4'   .   .   .   .   .   1    .   C3'   .   .   rr_1lae   1    
     23   .   .   1   1   2    2    DG   O5'   O   .   .   1   1   2    2    DG   C5'   C   .   .   1   1   2    2    DG   C4'   C   .   .   1   1   2    2    DG   C3'   C   .   20.0     100.0    .   .   .   A   .   2    DG   O5'   .   .   A   .   2    DG   C5'   .   .   A   .   2    DG   C4'   .   .   A   .   2    DG   C3'   .   .   .   2    .   O5'   .   .   .   .   .   2    .   C5'   .   .   .   .   .   2    .   C4'   .   .   .   .   .   2    .   C3'   .   .   rr_1lae   1    
     24   .   .   1   1   3    3    DC   O5'   O   .   .   1   1   3    3    DC   C5'   C   .   .   1   1   3    3    DC   C4'   C   .   .   1   1   3    3    DC   C3'   C   .   20.0     100.0    .   .   .   A   .   3    DC   O5'   .   .   A   .   3    DC   C5'   .   .   A   .   3    DC   C4'   .   .   A   .   3    DC   C3'   .   .   .   3    .   O5'   .   .   .   .   .   3    .   C5'   .   .   .   .   .   3    .   C4'   .   .   .   .   .   3    .   C3'   .   .   rr_1lae   1    
     25   .   .   1   1   4    4    DG   O5'   O   .   .   1   1   4    4    DG   C5'   C   .   .   1   1   4    4    DG   C4'   C   .   .   1   1   4    4    DG   C3'   C   .   20.0     100.0    .   .   .   A   .   4    DG   O5'   .   .   A   .   4    DG   C5'   .   .   A   .   4    DG   C4'   .   .   A   .   4    DG   C3'   .   .   .   4    .   O5'   .   .   .   .   .   4    .   C5'   .   .   .   .   .   4    .   C4'   .   .   .   .   .   4    .   C3'   .   .   rr_1lae   1    
     26   .   .   1   1   5    5    DG   O5'   O   .   .   1   1   5    5    DG   C5'   C   .   .   1   1   5    5    DG   C4'   C   .   .   1   1   5    5    DG   C3'   C   .   20.0     100.0    .   .   .   A   .   5    DG   O5'   .   .   A   .   5    DG   C5'   .   .   A   .   5    DG   C4'   .   .   A   .   5    DG   C3'   .   .   .   5    .   O5'   .   .   .   .   .   5    .   C5'   .   .   .   .   .   5    .   C4'   .   .   .   .   .   5    .   C3'   .   .   rr_1lae   1    
     27   .   .   1   1   6    6    DT   O5'   O   .   .   1   1   6    6    DT   C5'   C   .   .   1   1   6    6    DT   C4'   C   .   .   1   1   6    6    DT   C3'   C   .   20.0     100.0    .   .   .   A   .   6    DT   O5'   .   .   A   .   6    DT   C5'   .   .   A   .   6    DT   C4'   .   .   A   .   6    DT   C3'   .   .   .   6    .   O5'   .   .   .   .   .   6    .   C5'   .   .   .   .   .   6    .   C4'   .   .   .   .   .   6    .   C3'   .   .   rr_1lae   1    
     28   .   .   1   1   7    7    P    O5'   O   .   .   1   1   7    7    P    C5'   C   .   .   1   1   7    7    P    C4'   C   .   .   1   1   7    7    P    C3'   C   .   20.0     100.0    .   .   .   A   .   7    P    O5'   .   .   A   .   7    P    C5'   .   .   A   .   7    P    C4'   .   .   A   .   7    P    C3'   .   .   .   7    .   O5'   .   .   .   .   .   7    .   C5'   .   .   .   .   .   7    .   C4'   .   .   .   .   .   7    .   C3'   .   .   rr_1lae   1    
     29   .   .   1   1   8    8    DT   O5'   O   .   .   1   1   8    8    DT   C5'   C   .   .   1   1   8    8    DT   C4'   C   .   .   1   1   8    8    DT   C3'   C   .   20.0     100.0    .   .   .   A   .   8    DT   O5'   .   .   A   .   8    DT   C5'   .   .   A   .   8    DT   C4'   .   .   A   .   8    DT   C3'   .   .   .   8    .   O5'   .   .   .   .   .   8    .   C5'   .   .   .   .   .   8    .   C4'   .   .   .   .   .   8    .   C3'   .   .   rr_1lae   1    
     30   .   .   1   1   9    9    DC   O5'   O   .   .   1   1   9    9    DC   C5'   C   .   .   1   1   9    9    DC   C4'   C   .   .   1   1   9    9    DC   C3'   C   .   90.0     270.0    .   .   .   A   .   9    DC   O5'   .   .   A   .   9    DC   C5'   .   .   A   .   9    DC   C4'   .   .   A   .   9    DC   C3'   .   .   .   9    .   O5'   .   .   .   .   .   9    .   C5'   .   .   .   .   .   9    .   C4'   .   .   .   .   .   9    .   C3'   .   .   rr_1lae   1    
     31   .   .   1   1   10   10   DC   O5'   O   .   .   1   1   10   10   DC   C5'   C   .   .   1   1   10   10   DC   C4'   C   .   .   1   1   10   10   DC   C3'   C   .   20.0     100.0    .   .   .   A   .   10   DC   O5'   .   .   A   .   10   DC   C5'   .   .   A   .   10   DC   C4'   .   .   A   .   10   DC   C3'   .   .   .   10   .   O5'   .   .   .   .   .   10   .   C5'   .   .   .   .   .   10   .   C4'   .   .   .   .   .   10   .   C3'   .   .   rr_1lae   1    
     32   .   .   1   1   11   11   DG   O5'   O   .   .   1   1   11   11   DG   C5'   C   .   .   1   1   11   11   DG   C4'   C   .   .   1   1   11   11   DG   C3'   C   .   20.0     100.0    .   .   .   A   .   11   DG   O5'   .   .   A   .   11   DG   C5'   .   .   A   .   11   DG   C4'   .   .   A   .   11   DG   C3'   .   .   .   11   .   O5'   .   .   .   .   .   11   .   C5'   .   .   .   .   .   11   .   C4'   .   .   .   .   .   11   .   C3'   .   .   rr_1lae   1    
     33   .   .   1   1   12   12   DC   O5'   O   .   .   1   1   12   12   DC   C5'   C   .   .   1   1   12   12   DC   C4'   C   .   .   1   1   12   12   DC   C3'   C   .   20.0     100.0    .   .   .   A   .   12   DC   O5'   .   .   A   .   12   DC   C5'   .   .   A   .   12   DC   C4'   .   .   A   .   12   DC   C3'   .   .   .   12   .   O5'   .   .   .   .   .   12   .   C5'   .   .   .   .   .   12   .   C4'   .   .   .   .   .   12   .   C3'   .   .   rr_1lae   1    
     34   .   .   1   1   13   13   DG   O5'   O   .   .   1   1   13   13   DG   C5'   C   .   .   1   1   13   13   DG   C4'   C   .   .   1   1   13   13   DG   C3'   C   .   20.0     100.0    .   .   .   A   .   13   DG   O5'   .   .   A   .   13   DG   C5'   .   .   A   .   13   DG   C4'   .   .   A   .   13   DG   C3'   .   .   .   13   .   O5'   .   .   .   .   .   13   .   C5'   .   .   .   .   .   13   .   C4'   .   .   .   .   .   13   .   C3'   .   .   rr_1lae   1    

   stop_

   loop_
      _TA_constraint_comment_org.ID
      _TA_constraint_comment_org.Comment_text
      _TA_constraint_comment_org.Comment_begin_line
      _TA_constraint_comment_org.Comment_begin_column
      _TA_constraint_comment_org.Comment_end_line
      _TA_constraint_comment_org.Comment_end_column
      _TA_constraint_comment_org.Entry_ID
      _TA_constraint_comment_org.Torsion_angle_constraint_list_ID

     1   'backbone epsilon angles'   1    1   1    26   rr_1lae   1    
     2   'backbone zeta angles'      26   1   26   23   rr_1lae   1    
     3   'backbone gamma angles'     45   1   45   24   rr_1lae   1    
     4   'message=on echo=on'        73   1   73   26   rr_1lae   1    

   stop_

save_

save_CNS/XPLOR_dihedral_10
   _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
   _Torsion_angle_constraint_list.Sf_framecode        CNS/XPLOR_dihedral_10
   _Torsion_angle_constraint_list.Entry_ID            rr_1lae
   _Torsion_angle_constraint_list.ID                  2
   _Torsion_angle_constraint_list.Details             'Generated by Wattos'
   _Torsion_angle_constraint_list.Constraint_file_ID  1
   _Torsion_angle_constraint_list.Block_ID            10

   loop_
      _Torsion_angle_constraint_software.Software_ID
      _Torsion_angle_constraint_software.Software_label
      _Torsion_angle_constraint_software.Method_ID
      _Torsion_angle_constraint_software.Method_label
      _Torsion_angle_constraint_software.Entry_ID
      _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID

     .   .   .   .   rr_1lae   2    

   stop_

   loop_
      _Torsion_angle_constraint.ID
      _Torsion_angle_constraint.Torsion_angle_name
      _Torsion_angle_constraint.Assembly_atom_ID_1
      _Torsion_angle_constraint.Entity_assembly_ID_1
      _Torsion_angle_constraint.Entity_ID_1
      _Torsion_angle_constraint.Comp_index_ID_1
      _Torsion_angle_constraint.Seq_ID_1
      _Torsion_angle_constraint.Comp_ID_1
      _Torsion_angle_constraint.Atom_ID_1
      _Torsion_angle_constraint.Atom_type_1
      _Torsion_angle_constraint.Resonance_ID_1
      _Torsion_angle_constraint.Assembly_atom_ID_2
      _Torsion_angle_constraint.Entity_assembly_ID_2
      _Torsion_angle_constraint.Entity_ID_2
      _Torsion_angle_constraint.Comp_index_ID_2
      _Torsion_angle_constraint.Seq_ID_2
      _Torsion_angle_constraint.Comp_ID_2
      _Torsion_angle_constraint.Atom_ID_2
      _Torsion_angle_constraint.Atom_type_2
      _Torsion_angle_constraint.Resonance_ID_2
      _Torsion_angle_constraint.Assembly_atom_ID_3
      _Torsion_angle_constraint.Entity_assembly_ID_3
      _Torsion_angle_constraint.Entity_ID_3
      _Torsion_angle_constraint.Comp_index_ID_3
      _Torsion_angle_constraint.Seq_ID_3
      _Torsion_angle_constraint.Comp_ID_3
      _Torsion_angle_constraint.Atom_ID_3
      _Torsion_angle_constraint.Atom_type_3
      _Torsion_angle_constraint.Resonance_ID_3
      _Torsion_angle_constraint.Assembly_atom_ID_4
      _Torsion_angle_constraint.Entity_assembly_ID_4
      _Torsion_angle_constraint.Entity_ID_4
      _Torsion_angle_constraint.Comp_index_ID_4
      _Torsion_angle_constraint.Seq_ID_4
      _Torsion_angle_constraint.Comp_ID_4
      _Torsion_angle_constraint.Atom_ID_4
      _Torsion_angle_constraint.Atom_type_4
      _Torsion_angle_constraint.Resonance_ID_4
      _Torsion_angle_constraint.Angle_lower_bound_val
      _Torsion_angle_constraint.Angle_upper_bound_val
      _Torsion_angle_constraint.Source_experiment_ID
      _Torsion_angle_constraint.PDB_record_ID_1
      _Torsion_angle_constraint.PDB_model_num_1
      _Torsion_angle_constraint.PDB_strand_ID_1
      _Torsion_angle_constraint.PDB_ins_code_1
      _Torsion_angle_constraint.PDB_residue_no_1
      _Torsion_angle_constraint.PDB_residue_name_1
      _Torsion_angle_constraint.PDB_atom_name_1
      _Torsion_angle_constraint.PDB_record_ID_2
      _Torsion_angle_constraint.PDB_model_num_2
      _Torsion_angle_constraint.PDB_strand_ID_2
      _Torsion_angle_constraint.PDB_ins_code_2
      _Torsion_angle_constraint.PDB_residue_no_2
      _Torsion_angle_constraint.PDB_residue_name_2
      _Torsion_angle_constraint.PDB_atom_name_2
      _Torsion_angle_constraint.PDB_record_ID_3
      _Torsion_angle_constraint.PDB_model_num_3
      _Torsion_angle_constraint.PDB_strand_ID_3
      _Torsion_angle_constraint.PDB_ins_code_3
      _Torsion_angle_constraint.PDB_residue_no_3
      _Torsion_angle_constraint.PDB_residue_name_3
      _Torsion_angle_constraint.PDB_atom_name_3
      _Torsion_angle_constraint.PDB_record_ID_4
      _Torsion_angle_constraint.PDB_model_num_4
      _Torsion_angle_constraint.PDB_strand_ID_4
      _Torsion_angle_constraint.PDB_ins_code_4
      _Torsion_angle_constraint.PDB_residue_no_4
      _Torsion_angle_constraint.PDB_residue_name_4
      _Torsion_angle_constraint.PDB_atom_name_4
      _Torsion_angle_constraint.Auth_entity_assembly_ID_1
      _Torsion_angle_constraint.Auth_asym_ID_1
      _Torsion_angle_constraint.Auth_chain_ID_1
      _Torsion_angle_constraint.Auth_seq_ID_1
      _Torsion_angle_constraint.Auth_comp_ID_1
      _Torsion_angle_constraint.Auth_atom_ID_1
      _Torsion_angle_constraint.Auth_alt_ID_1
      _Torsion_angle_constraint.Auth_atom_name_1
      _Torsion_angle_constraint.Auth_entity_assembly_ID_2
      _Torsion_angle_constraint.Auth_asym_ID_2
      _Torsion_angle_constraint.Auth_chain_ID_2
      _Torsion_angle_constraint.Auth_seq_ID_2
      _Torsion_angle_constraint.Auth_comp_ID_2
      _Torsion_angle_constraint.Auth_atom_ID_2
      _Torsion_angle_constraint.Auth_alt_ID_2
      _Torsion_angle_constraint.Auth_atom_name_2
      _Torsion_angle_constraint.Auth_entity_assembly_ID_3
      _Torsion_angle_constraint.Auth_asym_ID_3
      _Torsion_angle_constraint.Auth_chain_ID_3
      _Torsion_angle_constraint.Auth_seq_ID_3
      _Torsion_angle_constraint.Auth_comp_ID_3
      _Torsion_angle_constraint.Auth_atom_ID_3
      _Torsion_angle_constraint.Auth_alt_ID_3
      _Torsion_angle_constraint.Auth_atom_name_3
      _Torsion_angle_constraint.Auth_entity_assembly_ID_4
      _Torsion_angle_constraint.Auth_asym_ID_4
      _Torsion_angle_constraint.Auth_chain_ID_4
      _Torsion_angle_constraint.Auth_seq_ID_4
      _Torsion_angle_constraint.Auth_comp_ID_4
      _Torsion_angle_constraint.Auth_atom_ID_4
      _Torsion_angle_constraint.Auth_alt_ID_4
      _Torsion_angle_constraint.Auth_atom_name_4
      _Torsion_angle_constraint.Entry_ID
      _Torsion_angle_constraint.Torsion_angle_constraint_list_ID

     1    .   .   1   1   1    1    DC   C4'   C   .   .   1   1   1    1    DC   O4'   O   .   .   1   1   1    1    DC   C1'   C   .   .   1   1   1    1    DC   C2'   C   .   -29.0   1.0     .   .   .   A   .   1    DC   C4'   .   .   A   .   1    DC   O4'   .   .   A   .   1    DC   C1'   .   .   A   .   1    DC   C2'   .   .   .   1    .   C4'   .   .   .   .   .   1    .   O4'   .   .   .   .   .   1    .   C1'   .   .   .   .   .   1    .   C2'   .   .   rr_1lae   2    
     2    .   .   1   1   1    1    DC   O4'   O   .   .   1   1   1    1    DC   C1'   C   .   .   1   1   1    1    DC   C2'   C   .   .   1   1   1    1    DC   C3'   C   .   22.0    40.0    .   .   .   A   .   1    DC   O4'   .   .   A   .   1    DC   C1'   .   .   A   .   1    DC   C2'   .   .   A   .   1    DC   C3'   .   .   .   1    .   O4'   .   .   .   .   .   1    .   C1'   .   .   .   .   .   1    .   C2'   .   .   .   .   .   1    .   C3'   .   .   rr_1lae   2    
     3    .   .   1   1   1    1    DC   C1'   C   .   .   1   1   1    1    DC   C2'   C   .   .   1   1   1    1    DC   C3'   C   .   .   1   1   1    1    DC   C4'   C   .   -38.5   -35.5   .   .   .   A   .   1    DC   C1'   .   .   A   .   1    DC   C2'   .   .   A   .   1    DC   C3'   .   .   A   .   1    DC   C4'   .   .   .   1    .   C1'   .   .   .   .   .   1    .   C2'   .   .   .   .   .   1    .   C3'   .   .   .   .   .   1    .   C4'   .   .   rr_1lae   2    
     4    .   .   1   1   1    1    DC   C2'   C   .   .   1   1   1    1    DC   C3'   C   .   .   1   1   1    1    DC   C4'   C   .   .   1   1   1    1    DC   O4'   O   .   18.0    38.0    .   .   .   A   .   1    DC   C2'   .   .   A   .   1    DC   C3'   .   .   A   .   1    DC   C4'   .   .   A   .   1    DC   O4'   .   .   .   1    .   C2'   .   .   .   .   .   1    .   C3'   .   .   .   .   .   1    .   C4'   .   .   .   .   .   1    .   O4'   .   .   rr_1lae   2    
     5    .   .   1   1   1    1    DC   C3'   C   .   .   1   1   1    1    DC   C4'   C   .   .   1   1   1    1    DC   O4'   O   .   .   1   1   1    1    DC   C1'   C   .   -25.0   7.0     .   .   .   A   .   1    DC   C3'   .   .   A   .   1    DC   C4'   .   .   A   .   1    DC   O4'   .   .   A   .   1    DC   C1'   .   .   .   1    .   C3'   .   .   .   .   .   1    .   C4'   .   .   .   .   .   1    .   O4'   .   .   .   .   .   1    .   C1'   .   .   rr_1lae   2    
     6    .   .   1   1   2    2    DG   C4'   C   .   .   1   1   2    2    DG   O4'   O   .   .   1   1   2    2    DG   C1'   C   .   .   1   1   2    2    DG   C2'   C   .   -32.0   -6.0    .   .   .   A   .   2    DG   C4'   .   .   A   .   2    DG   O4'   .   .   A   .   2    DG   C1'   .   .   A   .   2    DG   C2'   .   .   .   2    .   C4'   .   .   .   .   .   2    .   O4'   .   .   .   .   .   2    .   C1'   .   .   .   .   .   2    .   C2'   .   .   rr_1lae   2    
     7    .   .   1   1   2    2    DG   O4'   O   .   .   1   1   2    2    DG   C1'   C   .   .   1   1   2    2    DG   C2'   C   .   .   1   1   2    2    DG   C3'   C   .   28.0    40.0    .   .   .   A   .   2    DG   O4'   .   .   A   .   2    DG   C1'   .   .   A   .   2    DG   C2'   .   .   A   .   2    DG   C3'   .   .   .   2    .   O4'   .   .   .   .   .   2    .   C1'   .   .   .   .   .   2    .   C2'   .   .   .   .   .   2    .   C3'   .   .   rr_1lae   2    
     8    .   .   1   1   2    2    DG   C1'   C   .   .   1   1   2    2    DG   C2'   C   .   .   1   1   2    2    DG   C3'   C   .   .   1   1   2    2    DG   C4'   C   .   -40.0   -32.0   .   .   .   A   .   2    DG   C1'   .   .   A   .   2    DG   C2'   .   .   A   .   2    DG   C3'   .   .   A   .   2    DG   C4'   .   .   .   2    .   C1'   .   .   .   .   .   2    .   C2'   .   .   .   .   .   2    .   C3'   .   .   .   .   .   2    .   C4'   .   .   rr_1lae   2    
     9    .   .   1   1   2    2    DG   C2'   C   .   .   1   1   2    2    DG   C3'   C   .   .   1   1   2    2    DG   C4'   C   .   .   1   1   2    2    DG   O4'   O   .   12.0    36.0    .   .   .   A   .   2    DG   C2'   .   .   A   .   2    DG   C3'   .   .   A   .   2    DG   C4'   .   .   A   .   2    DG   O4'   .   .   .   2    .   C2'   .   .   .   .   .   2    .   C3'   .   .   .   .   .   2    .   C4'   .   .   .   .   .   2    .   O4'   .   .   rr_1lae   2    
     10   .   .   1   1   2    2    DG   C3'   C   .   .   1   1   2    2    DG   C4'   C   .   .   1   1   2    2    DG   O4'   O   .   .   1   1   2    2    DG   C1'   C   .   -18.0   12.0    .   .   .   A   .   2    DG   C3'   .   .   A   .   2    DG   C4'   .   .   A   .   2    DG   O4'   .   .   A   .   2    DG   C1'   .   .   .   2    .   C3'   .   .   .   .   .   2    .   C4'   .   .   .   .   .   2    .   O4'   .   .   .   .   .   2    .   C1'   .   .   rr_1lae   2    
     11   .   .   1   1   3    3    DC   C4'   C   .   .   1   1   3    3    DC   O4'   O   .   .   1   1   3    3    DC   C1'   C   .   .   1   1   3    3    DC   C2'   C   .   -37.5   -0.5    .   .   .   A   .   3    DC   C4'   .   .   A   .   3    DC   O4'   .   .   A   .   3    DC   C1'   .   .   A   .   3    DC   C2'   .   .   .   3    .   C4'   .   .   .   .   .   3    .   O4'   .   .   .   .   .   3    .   C1'   .   .   .   .   .   3    .   C2'   .   .   rr_1lae   2    
     12   .   .   1   1   3    3    DC   O4'   O   .   .   1   1   3    3    DC   C1'   C   .   .   1   1   3    3    DC   C2'   C   .   .   1   1   3    3    DC   C3'   C   .   24.0    39.0    .   .   .   A   .   3    DC   O4'   .   .   A   .   3    DC   C1'   .   .   A   .   3    DC   C2'   .   .   A   .   3    DC   C3'   .   .   .   3    .   O4'   .   .   .   .   .   3    .   C1'   .   .   .   .   .   3    .   C2'   .   .   .   .   .   3    .   C3'   .   .   rr_1lae   2    
     13   .   .   1   1   3    3    DC   C1'   C   .   .   1   1   3    3    DC   C2'   C   .   .   1   1   3    3    DC   C3'   C   .   .   1   1   3    3    DC   C4'   C   .   -38.0   -26.0   .   .   .   A   .   3    DC   C1'   .   .   A   .   3    DC   C2'   .   .   A   .   3    DC   C3'   .   .   A   .   3    DC   C4'   .   .   .   3    .   C1'   .   .   .   .   .   3    .   C2'   .   .   .   .   .   3    .   C3'   .   .   .   .   .   3    .   C4'   .   .   rr_1lae   2    
     14   .   .   1   1   3    3    DC   C2'   C   .   .   1   1   3    3    DC   C3'   C   .   .   1   1   3    3    DC   C4'   C   .   .   1   1   3    3    DC   O4'   O   .   3.0     38.0    .   .   .   A   .   3    DC   C2'   .   .   A   .   3    DC   C3'   .   .   A   .   3    DC   C4'   .   .   A   .   3    DC   O4'   .   .   .   3    .   C2'   .   .   .   .   .   3    .   C3'   .   .   .   .   .   3    .   C4'   .   .   .   .   .   3    .   O4'   .   .   rr_1lae   2    
     15   .   .   1   1   3    3    DC   C3'   C   .   .   1   1   3    3    DC   C4'   C   .   .   1   1   3    3    DC   O4'   O   .   .   1   1   3    3    DC   C1'   C   .   -24.0   21.0    .   .   .   A   .   3    DC   C3'   .   .   A   .   3    DC   C4'   .   .   A   .   3    DC   O4'   .   .   A   .   3    DC   C1'   .   .   .   3    .   C3'   .   .   .   .   .   3    .   C4'   .   .   .   .   .   3    .   O4'   .   .   .   .   .   3    .   C1'   .   .   rr_1lae   2    
     16   .   .   1   1   4    4    DG   C4'   C   .   .   1   1   4    4    DG   O4'   O   .   .   1   1   4    4    DG   C1'   C   .   .   1   1   4    4    DG   C2'   C   .   -37.0   1.0     .   .   .   A   .   4    DG   C4'   .   .   A   .   4    DG   O4'   .   .   A   .   4    DG   C1'   .   .   A   .   4    DG   C2'   .   .   .   4    .   C4'   .   .   .   .   .   4    .   O4'   .   .   .   .   .   4    .   C1'   .   .   .   .   .   4    .   C2'   .   .   rr_1lae   2    
     17   .   .   1   1   4    4    DG   O4'   O   .   .   1   1   4    4    DG   C1'   C   .   .   1   1   4    4    DG   C2'   C   .   .   1   1   4    4    DG   C3'   C   .   22.0    39.0    .   .   .   A   .   4    DG   O4'   .   .   A   .   4    DG   C1'   .   .   A   .   4    DG   C2'   .   .   A   .   4    DG   C3'   .   .   .   4    .   O4'   .   .   .   .   .   4    .   C1'   .   .   .   .   .   4    .   C2'   .   .   .   .   .   4    .   C3'   .   .   rr_1lae   2    
     18   .   .   1   1   4    4    DG   C1'   C   .   .   1   1   4    4    DG   C2'   C   .   .   1   1   4    4    DG   C3'   C   .   .   1   1   4    4    DG   C4'   C   .   -38.0   -26.0   .   .   .   A   .   4    DG   C1'   .   .   A   .   4    DG   C2'   .   .   A   .   4    DG   C3'   .   .   A   .   4    DG   C4'   .   .   .   4    .   C1'   .   .   .   .   .   4    .   C2'   .   .   .   .   .   4    .   C3'   .   .   .   .   .   4    .   C4'   .   .   rr_1lae   2    
     19   .   .   1   1   4    4    DG   C2'   C   .   .   1   1   4    4    DG   C3'   C   .   .   1   1   4    4    DG   C4'   C   .   .   1   1   4    4    DG   O4'   O   .   3.0     38.0    .   .   .   A   .   4    DG   C2'   .   .   A   .   4    DG   C3'   .   .   A   .   4    DG   C4'   .   .   A   .   4    DG   O4'   .   .   .   4    .   C2'   .   .   .   .   .   4    .   C3'   .   .   .   .   .   4    .   C4'   .   .   .   .   .   4    .   O4'   .   .   rr_1lae   2    
     20   .   .   1   1   4    4    DG   C3'   C   .   .   1   1   4    4    DG   C4'   C   .   .   1   1   4    4    DG   O4'   O   .   .   1   1   4    4    DG   C1'   C   .   -25.0   21.0    .   .   .   A   .   4    DG   C3'   .   .   A   .   4    DG   C4'   .   .   A   .   4    DG   O4'   .   .   A   .   4    DG   C1'   .   .   .   4    .   C3'   .   .   .   .   .   4    .   C4'   .   .   .   .   .   4    .   O4'   .   .   .   .   .   4    .   C1'   .   .   rr_1lae   2    
     21   .   .   1   1   5    5    DG   C4'   C   .   .   1   1   5    5    DG   O4'   O   .   .   1   1   5    5    DG   C1'   C   .   .   1   1   5    5    DG   C2'   C   .   -38.5   2.5     .   .   .   A   .   5    DG   C4'   .   .   A   .   5    DG   O4'   .   .   A   .   5    DG   C1'   .   .   A   .   5    DG   C2'   .   .   .   5    .   C4'   .   .   .   .   .   5    .   O4'   .   .   .   .   .   5    .   C1'   .   .   .   .   .   5    .   C2'   .   .   rr_1lae   2    
     22   .   .   1   1   5    5    DG   O4'   O   .   .   1   1   5    5    DG   C1'   C   .   .   1   1   5    5    DG   C2'   C   .   .   1   1   5    5    DG   C3'   C   .   21.0    38.0    .   .   .   A   .   5    DG   O4'   .   .   A   .   5    DG   C1'   .   .   A   .   5    DG   C2'   .   .   A   .   5    DG   C3'   .   .   .   5    .   O4'   .   .   .   .   .   5    .   C1'   .   .   .   .   .   5    .   C2'   .   .   .   .   .   5    .   C3'   .   .   rr_1lae   2    
     23   .   .   1   1   5    5    DG   C1'   C   .   .   1   1   5    5    DG   C2'   C   .   .   1   1   5    5    DG   C3'   C   .   .   1   1   5    5    DG   C4'   C   .   -37.5   -22.5   .   .   .   A   .   5    DG   C1'   .   .   A   .   5    DG   C2'   .   .   A   .   5    DG   C3'   .   .   A   .   5    DG   C4'   .   .   .   5    .   C1'   .   .   .   .   .   5    .   C2'   .   .   .   .   .   5    .   C3'   .   .   .   .   .   5    .   C4'   .   .   rr_1lae   2    
     24   .   .   1   1   5    5    DG   C2'   C   .   .   1   1   5    5    DG   C3'   C   .   .   1   1   5    5    DG   C4'   C   .   .   1   1   5    5    DG   O4'   O   .   -1.0    39.0    .   .   .   A   .   5    DG   C2'   .   .   A   .   5    DG   C3'   .   .   A   .   5    DG   C4'   .   .   A   .   5    DG   O4'   .   .   .   5    .   C2'   .   .   .   .   .   5    .   C3'   .   .   .   .   .   5    .   C4'   .   .   .   .   .   5    .   O4'   .   .   rr_1lae   2    
     25   .   .   1   1   5    5    DG   C3'   C   .   .   1   1   5    5    DG   C4'   C   .   .   1   1   5    5    DG   O4'   O   .   .   1   1   5    5    DG   C1'   C   .   -26.0   25.0    .   .   .   A   .   5    DG   C3'   .   .   A   .   5    DG   C4'   .   .   A   .   5    DG   O4'   .   .   A   .   5    DG   C1'   .   .   .   5    .   C3'   .   .   .   .   .   5    .   C4'   .   .   .   .   .   5    .   O4'   .   .   .   .   .   5    .   C1'   .   .   rr_1lae   2    
     26   .   .   1   1   6    6    DT   C4'   C   .   .   1   1   6    6    DT   O4'   O   .   .   1   1   6    6    DT   C1'   C   .   .   1   1   6    6    DT   C2'   C   .   -32.0   0.0     .   .   .   A   .   6    DT   C4'   .   .   A   .   6    DT   O4'   .   .   A   .   6    DT   C1'   .   .   A   .   6    DT   C2'   .   .   .   6    .   C4'   .   .   .   .   .   6    .   O4'   .   .   .   .   .   6    .   C1'   .   .   .   .   .   6    .   C2'   .   .   rr_1lae   2    
     27   .   .   1   1   6    6    DT   O4'   O   .   .   1   1   6    6    DT   C1'   C   .   .   1   1   6    6    DT   C2'   C   .   .   1   1   6    6    DT   C3'   C   .   24.0    40.0    .   .   .   A   .   6    DT   O4'   .   .   A   .   6    DT   C1'   .   .   A   .   6    DT   C2'   .   .   A   .   6    DT   C3'   .   .   .   6    .   O4'   .   .   .   .   .   6    .   C1'   .   .   .   .   .   6    .   C2'   .   .   .   .   .   6    .   C3'   .   .   rr_1lae   2    
     28   .   .   1   1   6    6    DT   C1'   C   .   .   1   1   6    6    DT   C2'   C   .   .   1   1   6    6    DT   C3'   C   .   .   1   1   6    6    DT   C4'   C   .   -38.0   -32.0   .   .   .   A   .   6    DT   C1'   .   .   A   .   6    DT   C2'   .   .   A   .   6    DT   C3'   .   .   A   .   6    DT   C4'   .   .   .   6    .   C1'   .   .   .   .   .   6    .   C2'   .   .   .   .   .   6    .   C3'   .   .   .   .   .   6    .   C4'   .   .   rr_1lae   2    
     29   .   .   1   1   6    6    DT   C2'   C   .   .   1   1   6    6    DT   C3'   C   .   .   1   1   6    6    DT   C4'   C   .   .   1   1   6    6    DT   O4'   O   .   12.0    38.0    .   .   .   A   .   6    DT   C2'   .   .   A   .   6    DT   C3'   .   .   A   .   6    DT   C4'   .   .   A   .   6    DT   O4'   .   .   .   6    .   C2'   .   .   .   .   .   6    .   C3'   .   .   .   .   .   6    .   C4'   .   .   .   .   .   6    .   O4'   .   .   rr_1lae   2    
     30   .   .   1   1   6    6    DT   C3'   C   .   .   1   1   6    6    DT   C4'   C   .   .   1   1   6    6    DT   O4'   O   .   .   1   1   6    6    DT   C1'   C   .   -24.0   12.0    .   .   .   A   .   6    DT   C3'   .   .   A   .   6    DT   C4'   .   .   A   .   6    DT   O4'   .   .   A   .   6    DT   C1'   .   .   .   6    .   C3'   .   .   .   .   .   6    .   C4'   .   .   .   .   .   6    .   O4'   .   .   .   .   .   6    .   C1'   .   .   rr_1lae   2    
     31   .   .   1   1   7    7    P    C4'   C   .   .   1   1   7    7    P    O4'   O   .   .   1   1   7    7    P    C1'   C   .   .   1   1   7    7    P    C2'   C   .   -32.0   10.0    .   .   .   A   .   7    P    C4'   .   .   A   .   7    P    O4'   .   .   A   .   7    P    C1'   .   .   A   .   7    P    C2'   .   .   .   7    .   C4'   .   .   .   .   .   7    .   O4'   .   .   .   .   .   7    .   C1'   .   .   .   .   .   7    .   C2'   .   .   rr_1lae   2    
     32   .   .   1   1   7    7    P    O4'   O   .   .   1   1   7    7    P    C1'   C   .   .   1   1   7    7    P    C2'   C   .   .   1   1   7    7    P    C3'   C   .   15.0    40.0    .   .   .   A   .   7    P    O4'   .   .   A   .   7    P    C1'   .   .   A   .   7    P    C2'   .   .   A   .   7    P    C3'   .   .   .   7    .   O4'   .   .   .   .   .   7    .   C1'   .   .   .   .   .   7    .   C2'   .   .   .   .   .   7    .   C3'   .   .   rr_1lae   2    
     33   .   .   1   1   7    7    P    C1'   C   .   .   1   1   7    7    P    C2'   C   .   .   1   1   7    7    P    C3'   C   .   .   1   1   7    7    P    C4'   C   .   -34.5   -33.5   .   .   .   A   .   7    P    C1'   .   .   A   .   7    P    C2'   .   .   A   .   7    P    C3'   .   .   A   .   7    P    C4'   .   .   .   7    .   C1'   .   .   .   .   .   7    .   C2'   .   .   .   .   .   7    .   C3'   .   .   .   .   .   7    .   C4'   .   .   rr_1lae   2    
     34   .   .   1   1   7    7    P    C2'   C   .   .   1   1   7    7    P    C3'   C   .   .   1   1   7    7    P    C4'   C   .   .   1   1   7    7    P    O4'   O   .   14.0    40.0    .   .   .   A   .   7    P    C2'   .   .   A   .   7    P    C3'   .   .   A   .   7    P    C4'   .   .   A   .   7    P    O4'   .   .   .   7    .   C2'   .   .   .   .   .   7    .   C3'   .   .   .   .   .   7    .   C4'   .   .   .   .   .   7    .   O4'   .   .   rr_1lae   2    
     35   .   .   1   1   7    7    P    C3'   C   .   .   1   1   7    7    P    C4'   C   .   .   1   1   7    7    P    O4'   O   .   .   1   1   7    7    P    C1'   C   .   -31.0   11.0    .   .   .   A   .   7    P    C3'   .   .   A   .   7    P    C4'   .   .   A   .   7    P    O4'   .   .   A   .   7    P    C1'   .   .   .   7    .   C3'   .   .   .   .   .   7    .   C4'   .   .   .   .   .   7    .   O4'   .   .   .   .   .   7    .   C1'   .   .   rr_1lae   2    
     36   .   .   1   1   8    8    DT   C4'   C   .   .   1   1   8    8    DT   O4'   O   .   .   1   1   8    8    DT   C1'   C   .   .   1   1   8    8    DT   C2'   C   .   -32.5   0.5     .   .   .   A   .   8    DT   C4'   .   .   A   .   8    DT   O4'   .   .   A   .   8    DT   C1'   .   .   A   .   8    DT   C2'   .   .   .   8    .   C4'   .   .   .   .   .   8    .   O4'   .   .   .   .   .   8    .   C1'   .   .   .   .   .   8    .   C2'   .   .   rr_1lae   2    
     37   .   .   1   1   8    8    DT   O4'   O   .   .   1   1   8    8    DT   C1'   C   .   .   1   1   8    8    DT   C2'   C   .   .   1   1   8    8    DT   C3'   C   .   22.0    40.0    .   .   .   A   .   8    DT   O4'   .   .   A   .   8    DT   C1'   .   .   A   .   8    DT   C2'   .   .   A   .   8    DT   C3'   .   .   .   8    .   O4'   .   .   .   .   .   8    .   C1'   .   .   .   .   .   8    .   C2'   .   .   .   .   .   8    .   C3'   .   .   rr_1lae   2    
     38   .   .   1   1   8    8    DT   C1'   C   .   .   1   1   8    8    DT   C2'   C   .   .   1   1   8    8    DT   C3'   C   .   .   1   1   8    8    DT   C4'   C   .   -38.0   -32.0   .   .   .   A   .   8    DT   C1'   .   .   A   .   8    DT   C2'   .   .   A   .   8    DT   C3'   .   .   A   .   8    DT   C4'   .   .   .   8    .   C1'   .   .   .   .   .   8    .   C2'   .   .   .   .   .   8    .   C3'   .   .   .   .   .   8    .   C4'   .   .   rr_1lae   2    
     39   .   .   1   1   8    8    DT   C2'   C   .   .   1   1   8    8    DT   C3'   C   .   .   1   1   8    8    DT   C4'   C   .   .   1   1   8    8    DT   O4'   O   .   12.0    38.0    .   .   .   A   .   8    DT   C2'   .   .   A   .   8    DT   C3'   .   .   A   .   8    DT   C4'   .   .   A   .   8    DT   O4'   .   .   .   8    .   C2'   .   .   .   .   .   8    .   C3'   .   .   .   .   .   8    .   C4'   .   .   .   .   .   8    .   O4'   .   .   rr_1lae   2    
     40   .   .   1   1   8    8    DT   C3'   C   .   .   1   1   8    8    DT   C4'   C   .   .   1   1   8    8    DT   O4'   O   .   .   1   1   8    8    DT   C1'   C   .   -25.0   12.0    .   .   .   A   .   8    DT   C3'   .   .   A   .   8    DT   C4'   .   .   A   .   8    DT   O4'   .   .   A   .   8    DT   C1'   .   .   .   8    .   C3'   .   .   .   .   .   8    .   C4'   .   .   .   .   .   8    .   O4'   .   .   .   .   .   8    .   C1'   .   .   rr_1lae   2    
     41   .   .   1   1   9    9    DC   C4'   C   .   .   1   1   9    9    DC   O4'   O   .   .   1   1   9    9    DC   C1'   C   .   .   1   1   9    9    DC   C2'   C   .   -32.0   4.0     .   .   .   A   .   9    DC   C4'   .   .   A   .   9    DC   O4'   .   .   A   .   9    DC   C1'   .   .   A   .   9    DC   C2'   .   .   .   9    .   C4'   .   .   .   .   .   9    .   O4'   .   .   .   .   .   9    .   C1'   .   .   .   .   .   9    .   C2'   .   .   rr_1lae   2    
     42   .   .   1   1   9    9    DC   O4'   O   .   .   1   1   9    9    DC   C1'   C   .   .   1   1   9    9    DC   C2'   C   .   .   1   1   9    9    DC   C3'   C   .   20.0    40.0    .   .   .   A   .   9    DC   O4'   .   .   A   .   9    DC   C1'   .   .   A   .   9    DC   C2'   .   .   A   .   9    DC   C3'   .   .   .   9    .   O4'   .   .   .   .   .   9    .   C1'   .   .   .   .   .   9    .   C2'   .   .   .   .   .   9    .   C3'   .   .   rr_1lae   2    
     43   .   .   1   1   9    9    DC   C1'   C   .   .   1   1   9    9    DC   C2'   C   .   .   1   1   9    9    DC   C3'   C   .   .   1   1   9    9    DC   C4'   C   .   -37.5   -32.5   .   .   .   A   .   9    DC   C1'   .   .   A   .   9    DC   C2'   .   .   A   .   9    DC   C3'   .   .   A   .   9    DC   C4'   .   .   .   9    .   C1'   .   .   .   .   .   9    .   C2'   .   .   .   .   .   9    .   C3'   .   .   .   .   .   9    .   C4'   .   .   rr_1lae   2    
     44   .   .   1   1   9    9    DC   C2'   C   .   .   1   1   9    9    DC   C3'   C   .   .   1   1   9    9    DC   C4'   C   .   .   1   1   9    9    DC   O4'   O   .   12.0    39.0    .   .   .   A   .   9    DC   C2'   .   .   A   .   9    DC   C3'   .   .   A   .   9    DC   C4'   .   .   A   .   9    DC   O4'   .   .   .   9    .   C2'   .   .   .   .   .   9    .   C3'   .   .   .   .   .   9    .   C4'   .   .   .   .   .   9    .   O4'   .   .   rr_1lae   2    
     45   .   .   1   1   9    9    DC   C3'   C   .   .   1   1   9    9    DC   C4'   C   .   .   1   1   9    9    DC   O4'   O   .   .   1   1   9    9    DC   C1'   C   .   -27.0   12.0    .   .   .   A   .   9    DC   C3'   .   .   A   .   9    DC   C4'   .   .   A   .   9    DC   O4'   .   .   A   .   9    DC   C1'   .   .   .   9    .   C3'   .   .   .   .   .   9    .   C4'   .   .   .   .   .   9    .   O4'   .   .   .   .   .   9    .   C1'   .   .   rr_1lae   2    
     46   .   .   1   1   10   10   DC   C4'   C   .   .   1   1   10   10   DC   O4'   O   .   .   1   1   10   10   DC   C1'   C   .   .   1   1   10   10   DC   C2'   C   .   -38.5   -1.5    .   .   .   A   .   10   DC   C4'   .   .   A   .   10   DC   O4'   .   .   A   .   10   DC   C1'   .   .   A   .   10   DC   C2'   .   .   .   10   .   C4'   .   .   .   .   .   10   .   O4'   .   .   .   .   .   10   .   C1'   .   .   .   .   .   10   .   C2'   .   .   rr_1lae   2    
     47   .   .   1   1   10   10   DC   O4'   O   .   .   1   1   10   10   DC   C1'   C   .   .   1   1   10   10   DC   C2'   C   .   .   1   1   10   10   DC   C3'   C   .   25.0    38.0    .   .   .   A   .   10   DC   O4'   .   .   A   .   10   DC   C1'   .   .   A   .   10   DC   C2'   .   .   A   .   10   DC   C3'   .   .   .   10   .   O4'   .   .   .   .   .   10   .   C1'   .   .   .   .   .   10   .   C2'   .   .   .   .   .   10   .   C3'   .   .   rr_1lae   2    
     48   .   .   1   1   10   10   DC   C1'   C   .   .   1   1   10   10   DC   C2'   C   .   .   1   1   10   10   DC   C3'   C   .   .   1   1   10   10   DC   C4'   C   .   -38.5   -23.5   .   .   .   A   .   10   DC   C1'   .   .   A   .   10   DC   C2'   .   .   A   .   10   DC   C3'   .   .   A   .   10   DC   C4'   .   .   .   10   .   C1'   .   .   .   .   .   10   .   C2'   .   .   .   .   .   10   .   C3'   .   .   .   .   .   10   .   C4'   .   .   rr_1lae   2    
     49   .   .   1   1   10   10   DC   C2'   C   .   .   1   1   10   10   DC   C3'   C   .   .   1   1   10   10   DC   C4'   C   .   .   1   1   10   10   DC   O4'   O   .   -1.0    38.0    .   .   .   A   .   10   DC   C2'   .   .   A   .   10   DC   C3'   .   .   A   .   10   DC   C4'   .   .   A   .   10   DC   O4'   .   .   .   10   .   C2'   .   .   .   .   .   10   .   C3'   .   .   .   .   .   10   .   C4'   .   .   .   .   .   10   .   O4'   .   .   rr_1lae   2    
     50   .   .   1   1   10   10   DC   C3'   C   .   .   1   1   10   10   DC   C4'   C   .   .   1   1   10   10   DC   O4'   O   .   .   1   1   10   10   DC   C1'   C   .   -22.0   24.0    .   .   .   A   .   10   DC   C3'   .   .   A   .   10   DC   C4'   .   .   A   .   10   DC   O4'   .   .   A   .   10   DC   C1'   .   .   .   10   .   C3'   .   .   .   .   .   10   .   C4'   .   .   .   .   .   10   .   O4'   .   .   .   .   .   10   .   C1'   .   .   rr_1lae   2    
     51   .   .   1   1   11   11   DG   C4'   C   .   .   1   1   11   11   DG   O4'   O   .   .   1   1   11   11   DG   C1'   C   .   .   1   1   11   11   DG   C2'   C   .   -32.0   -6.0    .   .   .   A   .   11   DG   C4'   .   .   A   .   11   DG   O4'   .   .   A   .   11   DG   C1'   .   .   A   .   11   DG   C2'   .   .   .   11   .   C4'   .   .   .   .   .   11   .   O4'   .   .   .   .   .   11   .   C1'   .   .   .   .   .   11   .   C2'   .   .   rr_1lae   2    
     52   .   .   1   1   11   11   DG   O4'   O   .   .   1   1   11   11   DG   C1'   C   .   .   1   1   11   11   DG   C2'   C   .   .   1   1   11   11   DG   C3'   C   .   28.0    40.0    .   .   .   A   .   11   DG   O4'   .   .   A   .   11   DG   C1'   .   .   A   .   11   DG   C2'   .   .   A   .   11   DG   C3'   .   .   .   11   .   O4'   .   .   .   .   .   11   .   C1'   .   .   .   .   .   11   .   C2'   .   .   .   .   .   11   .   C3'   .   .   rr_1lae   2    
     53   .   .   1   1   11   11   DG   C1'   C   .   .   1   1   11   11   DG   C2'   C   .   .   1   1   11   11   DG   C3'   C   .   .   1   1   11   11   DG   C4'   C   .   -40.5   -33.5   .   .   .   A   .   11   DG   C1'   .   .   A   .   11   DG   C2'   .   .   A   .   11   DG   C3'   .   .   A   .   11   DG   C4'   .   .   .   11   .   C1'   .   .   .   .   .   11   .   C2'   .   .   .   .   .   11   .   C3'   .   .   .   .   .   11   .   C4'   .   .   rr_1lae   2    
     54   .   .   1   1   11   11   DG   C2'   C   .   .   1   1   11   11   DG   C3'   C   .   .   1   1   11   11   DG   C4'   C   .   .   1   1   11   11   DG   O4'   O   .   14.0    36.0    .   .   .   A   .   11   DG   C2'   .   .   A   .   11   DG   C3'   .   .   A   .   11   DG   C4'   .   .   A   .   11   DG   O4'   .   .   .   11   .   C2'   .   .   .   .   .   11   .   C3'   .   .   .   .   .   11   .   C4'   .   .   .   .   .   11   .   O4'   .   .   rr_1lae   2    
     55   .   .   1   1   11   11   DG   C3'   C   .   .   1   1   11   11   DG   C4'   C   .   .   1   1   11   11   DG   O4'   O   .   .   1   1   11   11   DG   C1'   C   .   -18.0   11.0    .   .   .   A   .   11   DG   C3'   .   .   A   .   11   DG   C4'   .   .   A   .   11   DG   O4'   .   .   A   .   11   DG   C1'   .   .   .   11   .   C3'   .   .   .   .   .   11   .   C4'   .   .   .   .   .   11   .   O4'   .   .   .   .   .   11   .   C1'   .   .   rr_1lae   2    
     56   .   .   1   1   12   12   DC   C4'   C   .   .   1   1   12   12   DC   O4'   O   .   .   1   1   12   12   DC   C1'   C   .   .   1   1   12   12   DC   C2'   C   .   -31.0   21.0    .   .   .   A   .   12   DC   C4'   .   .   A   .   12   DC   O4'   .   .   A   .   12   DC   C1'   .   .   A   .   12   DC   C2'   .   .   .   12   .   C4'   .   .   .   .   .   12   .   O4'   .   .   .   .   .   12   .   C1'   .   .   .   .   .   12   .   C2'   .   .   rr_1lae   2    
     57   .   .   1   1   12   12   DC   O4'   O   .   .   1   1   12   12   DC   C1'   C   .   .   1   1   12   12   DC   C2'   C   .   .   1   1   12   12   DC   C3'   C   .   3.0     40.0    .   .   .   A   .   12   DC   O4'   .   .   A   .   12   DC   C1'   .   .   A   .   12   DC   C2'   .   .   A   .   12   DC   C3'   .   .   .   12   .   O4'   .   .   .   .   .   12   .   C1'   .   .   .   .   .   12   .   C2'   .   .   .   .   .   12   .   C3'   .   .   rr_1lae   2    
     58   .   .   1   1   12   12   DC   C1'   C   .   .   1   1   12   12   DC   C2'   C   .   .   1   1   12   12   DC   C3'   C   .   .   1   1   12   12   DC   C4'   C   .   -34.0   -26.0   .   .   .   A   .   12   DC   C1'   .   .   A   .   12   DC   C2'   .   .   A   .   12   DC   C3'   .   .   A   .   12   DC   C4'   .   .   .   12   .   C1'   .   .   .   .   .   12   .   C2'   .   .   .   .   .   12   .   C3'   .   .   .   .   .   12   .   C4'   .   .   rr_1lae   2    
     59   .   .   1   1   12   12   DC   C2'   C   .   .   1   1   12   12   DC   C3'   C   .   .   1   1   12   12   DC   C4'   C   .   .   1   1   12   12   DC   O4'   O   .   15.0    39.0    .   .   .   A   .   12   DC   C2'   .   .   A   .   12   DC   C3'   .   .   A   .   12   DC   C4'   .   .   A   .   12   DC   O4'   .   .   .   12   .   C2'   .   .   .   .   .   12   .   C3'   .   .   .   .   .   12   .   C4'   .   .   .   .   .   12   .   O4'   .   .   rr_1lae   2    
     60   .   .   1   1   12   12   DC   C3'   C   .   .   1   1   12   12   DC   C4'   C   .   .   1   1   12   12   DC   O4'   O   .   .   1   1   12   12   DC   C1'   C   .   -37.5   9.5     .   .   .   A   .   12   DC   C3'   .   .   A   .   12   DC   C4'   .   .   A   .   12   DC   O4'   .   .   A   .   12   DC   C1'   .   .   .   12   .   C3'   .   .   .   .   .   12   .   C4'   .   .   .   .   .   12   .   O4'   .   .   .   .   .   12   .   C1'   .   .   rr_1lae   2    
     61   .   .   1   1   13   13   DG   C4'   C   .   .   1   1   13   13   DG   O4'   O   .   .   1   1   13   13   DG   C1'   C   .   .   1   1   13   13   DG   C2'   C   .   -33.0   -1.0    .   .   .   A   .   13   DG   C4'   .   .   A   .   13   DG   O4'   .   .   A   .   13   DG   C1'   .   .   A   .   13   DG   C2'   .   .   .   13   .   C4'   .   .   .   .   .   13   .   O4'   .   .   .   .   .   13   .   C1'   .   .   .   .   .   13   .   C2'   .   .   rr_1lae   2    
     62   .   .   1   1   13   13   DG   O4'   O   .   .   1   1   13   13   DG   C1'   C   .   .   1   1   13   13   DG   C2'   C   .   .   1   1   13   13   DG   C3'   C   .   25.0    40.0    .   .   .   A   .   13   DG   O4'   .   .   A   .   13   DG   C1'   .   .   A   .   13   DG   C2'   .   .   A   .   13   DG   C3'   .   .   .   13   .   O4'   .   .   .   .   .   13   .   C1'   .   .   .   .   .   13   .   C2'   .   .   .   .   .   13   .   C3'   .   .   rr_1lae   2    
     63   .   .   1   1   13   13   DG   C1'   C   .   .   1   1   13   13   DG   C2'   C   .   .   1   1   13   13   DG   C3'   C   .   .   1   1   13   13   DG   C4'   C   .   -38.0   -32.0   .   .   .   A   .   13   DG   C1'   .   .   A   .   13   DG   C2'   .   .   A   .   13   DG   C3'   .   .   A   .   13   DG   C4'   .   .   .   13   .   C1'   .   .   .   .   .   13   .   C2'   .   .   .   .   .   13   .   C3'   .   .   .   .   .   13   .   C4'   .   .   rr_1lae   2    
     64   .   .   1   1   13   13   DG   C2'   C   .   .   1   1   13   13   DG   C3'   C   .   .   1   1   13   13   DG   C4'   C   .   .   1   1   13   13   DG   O4'   O   .   11.0    38.0    .   .   .   A   .   13   DG   C2'   .   .   A   .   13   DG   C3'   .   .   A   .   13   DG   C4'   .   .   A   .   13   DG   O4'   .   .   .   13   .   C2'   .   .   .   .   .   13   .   C3'   .   .   .   .   .   13   .   C4'   .   .   .   .   .   13   .   O4'   .   .   rr_1lae   2    
     65   .   .   1   1   13   13   DG   C3'   C   .   .   1   1   13   13   DG   C4'   C   .   .   1   1   13   13   DG   O4'   O   .   .   1   1   13   13   DG   C1'   C   .   -22.0   14.0    .   .   .   A   .   13   DG   C3'   .   .   A   .   13   DG   C4'   .   .   A   .   13   DG   O4'   .   .   A   .   13   DG   C1'   .   .   .   13   .   C3'   .   .   .   .   .   13   .   C4'   .   .   .   .   .   13   .   O4'   .   .   .   .   .   13   .   C1'   .   .   rr_1lae   2    

   stop_

save_

save_CNS/XPLOR_dihedral_12
   _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
   _Torsion_angle_constraint_list.Sf_framecode        CNS/XPLOR_dihedral_12
   _Torsion_angle_constraint_list.Entry_ID            rr_1lae
   _Torsion_angle_constraint_list.ID                  3
   _Torsion_angle_constraint_list.Details             'Generated by Wattos'
   _Torsion_angle_constraint_list.Constraint_file_ID  1
   _Torsion_angle_constraint_list.Block_ID            12

   loop_
      _Torsion_angle_constraint_software.Software_ID
      _Torsion_angle_constraint_software.Software_label
      _Torsion_angle_constraint_software.Method_ID
      _Torsion_angle_constraint_software.Method_label
      _Torsion_angle_constraint_software.Entry_ID
      _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID

     .   .   .   .   rr_1lae   3    

   stop_

   loop_
      _Torsion_angle_constraint.ID
      _Torsion_angle_constraint.Torsion_angle_name
      _Torsion_angle_constraint.Assembly_atom_ID_1
      _Torsion_angle_constraint.Entity_assembly_ID_1
      _Torsion_angle_constraint.Entity_ID_1
      _Torsion_angle_constraint.Comp_index_ID_1
      _Torsion_angle_constraint.Seq_ID_1
      _Torsion_angle_constraint.Comp_ID_1
      _Torsion_angle_constraint.Atom_ID_1
      _Torsion_angle_constraint.Atom_type_1
      _Torsion_angle_constraint.Resonance_ID_1
      _Torsion_angle_constraint.Assembly_atom_ID_2
      _Torsion_angle_constraint.Entity_assembly_ID_2
      _Torsion_angle_constraint.Entity_ID_2
      _Torsion_angle_constraint.Comp_index_ID_2
      _Torsion_angle_constraint.Seq_ID_2
      _Torsion_angle_constraint.Comp_ID_2
      _Torsion_angle_constraint.Atom_ID_2
      _Torsion_angle_constraint.Atom_type_2
      _Torsion_angle_constraint.Resonance_ID_2
      _Torsion_angle_constraint.Assembly_atom_ID_3
      _Torsion_angle_constraint.Entity_assembly_ID_3
      _Torsion_angle_constraint.Entity_ID_3
      _Torsion_angle_constraint.Comp_index_ID_3
      _Torsion_angle_constraint.Seq_ID_3
      _Torsion_angle_constraint.Comp_ID_3
      _Torsion_angle_constraint.Atom_ID_3
      _Torsion_angle_constraint.Atom_type_3
      _Torsion_angle_constraint.Resonance_ID_3
      _Torsion_angle_constraint.Assembly_atom_ID_4
      _Torsion_angle_constraint.Entity_assembly_ID_4
      _Torsion_angle_constraint.Entity_ID_4
      _Torsion_angle_constraint.Comp_index_ID_4
      _Torsion_angle_constraint.Seq_ID_4
      _Torsion_angle_constraint.Comp_ID_4
      _Torsion_angle_constraint.Atom_ID_4
      _Torsion_angle_constraint.Atom_type_4
      _Torsion_angle_constraint.Resonance_ID_4
      _Torsion_angle_constraint.Angle_lower_bound_val
      _Torsion_angle_constraint.Angle_upper_bound_val
      _Torsion_angle_constraint.Source_experiment_ID
      _Torsion_angle_constraint.PDB_record_ID_1
      _Torsion_angle_constraint.PDB_model_num_1
      _Torsion_angle_constraint.PDB_strand_ID_1
      _Torsion_angle_constraint.PDB_ins_code_1
      _Torsion_angle_constraint.PDB_residue_no_1
      _Torsion_angle_constraint.PDB_residue_name_1
      _Torsion_angle_constraint.PDB_atom_name_1
      _Torsion_angle_constraint.PDB_record_ID_2
      _Torsion_angle_constraint.PDB_model_num_2
      _Torsion_angle_constraint.PDB_strand_ID_2
      _Torsion_angle_constraint.PDB_ins_code_2
      _Torsion_angle_constraint.PDB_residue_no_2
      _Torsion_angle_constraint.PDB_residue_name_2
      _Torsion_angle_constraint.PDB_atom_name_2
      _Torsion_angle_constraint.PDB_record_ID_3
      _Torsion_angle_constraint.PDB_model_num_3
      _Torsion_angle_constraint.PDB_strand_ID_3
      _Torsion_angle_constraint.PDB_ins_code_3
      _Torsion_angle_constraint.PDB_residue_no_3
      _Torsion_angle_constraint.PDB_residue_name_3
      _Torsion_angle_constraint.PDB_atom_name_3
      _Torsion_angle_constraint.PDB_record_ID_4
      _Torsion_angle_constraint.PDB_model_num_4
      _Torsion_angle_constraint.PDB_strand_ID_4
      _Torsion_angle_constraint.PDB_ins_code_4
      _Torsion_angle_constraint.PDB_residue_no_4
      _Torsion_angle_constraint.PDB_residue_name_4
      _Torsion_angle_constraint.PDB_atom_name_4
      _Torsion_angle_constraint.Auth_entity_assembly_ID_1
      _Torsion_angle_constraint.Auth_asym_ID_1
      _Torsion_angle_constraint.Auth_chain_ID_1
      _Torsion_angle_constraint.Auth_seq_ID_1
      _Torsion_angle_constraint.Auth_comp_ID_1
      _Torsion_angle_constraint.Auth_atom_ID_1
      _Torsion_angle_constraint.Auth_alt_ID_1
      _Torsion_angle_constraint.Auth_atom_name_1
      _Torsion_angle_constraint.Auth_entity_assembly_ID_2
      _Torsion_angle_constraint.Auth_asym_ID_2
      _Torsion_angle_constraint.Auth_chain_ID_2
      _Torsion_angle_constraint.Auth_seq_ID_2
      _Torsion_angle_constraint.Auth_comp_ID_2
      _Torsion_angle_constraint.Auth_atom_ID_2
      _Torsion_angle_constraint.Auth_alt_ID_2
      _Torsion_angle_constraint.Auth_atom_name_2
      _Torsion_angle_constraint.Auth_entity_assembly_ID_3
      _Torsion_angle_constraint.Auth_asym_ID_3
      _Torsion_angle_constraint.Auth_chain_ID_3
      _Torsion_angle_constraint.Auth_seq_ID_3
      _Torsion_angle_constraint.Auth_comp_ID_3
      _Torsion_angle_constraint.Auth_atom_ID_3
      _Torsion_angle_constraint.Auth_alt_ID_3
      _Torsion_angle_constraint.Auth_atom_name_3
      _Torsion_angle_constraint.Auth_entity_assembly_ID_4
      _Torsion_angle_constraint.Auth_asym_ID_4
      _Torsion_angle_constraint.Auth_chain_ID_4
      _Torsion_angle_constraint.Auth_seq_ID_4
      _Torsion_angle_constraint.Auth_comp_ID_4
      _Torsion_angle_constraint.Auth_atom_ID_4
      _Torsion_angle_constraint.Auth_alt_ID_4
      _Torsion_angle_constraint.Auth_atom_name_4
      _Torsion_angle_constraint.Entry_ID
      _Torsion_angle_constraint.Torsion_angle_constraint_list_ID

     1    .   .   1   1   13   13   DG   C2   C   .   .   1   1   13   13   DG   N1   N   .   .   1   1   1    1    DC   N3   N   .   .   1   1   1    1    DC   C2   C   .   -5.0    5.0     .   .   .   A   .   13   DG   C2   .   .   A   .   13   DG   N1   .   .   A   .   1    DC   N3   .   .   A   .   1    DC   C2   .   .   .   13   .   C2   .   .   .   .   .   13   .   N1   .   .   .   .   .   1    .   N3   .   .   .   .   .   1    .   C2   .   .   rr_1lae   3    
     2    .   .   1   1   13   13   DG   C2   C   .   .   1   1   13   13   DG   N1   N   .   .   1   1   1    1    DC   N3   N   .   .   1   1   1    1    DC   C4   C   .   175.0   185.0   .   .   .   A   .   13   DG   C2   .   .   A   .   13   DG   N1   .   .   A   .   1    DC   N3   .   .   A   .   1    DC   C4   .   .   .   13   .   C2   .   .   .   .   .   13   .   N1   .   .   .   .   .   1    .   N3   .   .   .   .   .   1    .   C4   .   .   rr_1lae   3    
     3    .   .   1   1   2    2    DG   C2   C   .   .   1   1   2    2    DG   N1   N   .   .   1   1   12   12   DC   N3   N   .   .   1   1   12   12   DC   C2   C   .   -5.0    5.0     .   .   .   A   .   2    DG   C2   .   .   A   .   2    DG   N1   .   .   A   .   12   DC   N3   .   .   A   .   12   DC   C2   .   .   .   2    .   C2   .   .   .   .   .   2    .   N1   .   .   .   .   .   12   .   N3   .   .   .   .   .   12   .   C2   .   .   rr_1lae   3    
     4    .   .   1   1   2    2    DG   C2   C   .   .   1   1   2    2    DG   N1   N   .   .   1   1   12   12   DC   N3   N   .   .   1   1   12   12   DC   C4   C   .   175.0   185.0   .   .   .   A   .   2    DG   C2   .   .   A   .   2    DG   N1   .   .   A   .   12   DC   N3   .   .   A   .   12   DC   C4   .   .   .   2    .   C2   .   .   .   .   .   2    .   N1   .   .   .   .   .   12   .   N3   .   .   .   .   .   12   .   C4   .   .   rr_1lae   3    
     5    .   .   1   1   11   11   DG   C2   C   .   .   1   1   11   11   DG   N1   N   .   .   1   1   3    3    DC   N3   N   .   .   1   1   3    3    DC   C2   C   .   -5.0    5.0     .   .   .   A   .   11   DG   C2   .   .   A   .   11   DG   N1   .   .   A   .   3    DC   N3   .   .   A   .   3    DC   C2   .   .   .   11   .   C2   .   .   .   .   .   11   .   N1   .   .   .   .   .   3    .   N3   .   .   .   .   .   3    .   C2   .   .   rr_1lae   3    
     6    .   .   1   1   11   11   DG   C2   C   .   .   1   1   11   11   DG   N1   N   .   .   1   1   3    3    DC   N3   N   .   .   1   1   3    3    DC   C4   C   .   175.0   185.0   .   .   .   A   .   11   DG   C2   .   .   A   .   11   DG   N1   .   .   A   .   3    DC   N3   .   .   A   .   3    DC   C4   .   .   .   11   .   C2   .   .   .   .   .   11   .   N1   .   .   .   .   .   3    .   N3   .   .   .   .   .   3    .   C4   .   .   rr_1lae   3    
     7    .   .   1   1   4    4    DG   C2   C   .   .   1   1   4    4    DG   N1   N   .   .   1   1   10   10   DC   N3   N   .   .   1   1   10   10   DC   C2   C   .   -5.0    5.0     .   .   .   A   .   4    DG   C2   .   .   A   .   4    DG   N1   .   .   A   .   10   DC   N3   .   .   A   .   10   DC   C2   .   .   .   4    .   C2   .   .   .   .   .   4    .   N1   .   .   .   .   .   10   .   N3   .   .   .   .   .   10   .   C2   .   .   rr_1lae   3    
     8    .   .   1   1   4    4    DG   C2   C   .   .   1   1   4    4    DG   N1   N   .   .   1   1   10   10   DC   N3   N   .   .   1   1   10   10   DC   C4   C   .   175.0   185.0   .   .   .   A   .   4    DG   C2   .   .   A   .   4    DG   N1   .   .   A   .   10   DC   N3   .   .   A   .   10   DC   C4   .   .   .   4    .   C2   .   .   .   .   .   4    .   N1   .   .   .   .   .   10   .   N3   .   .   .   .   .   10   .   C4   .   .   rr_1lae   3    
     9    .   .   1   1   5    5    DG   C2   C   .   .   1   1   5    5    DG   N1   N   .   .   1   1   9    9    DC   N3   N   .   .   1   1   9    9    DC   C2   C   .   -5.0    5.0     .   .   .   A   .   5    DG   C2   .   .   A   .   5    DG   N1   .   .   A   .   9    DC   N3   .   .   A   .   9    DC   C2   .   .   .   5    .   C2   .   .   .   .   .   5    .   N1   .   .   .   .   .   9    .   N3   .   .   .   .   .   9    .   C2   .   .   rr_1lae   3    
     10   .   .   1   1   5    5    DG   C2   C   .   .   1   1   5    5    DG   N1   N   .   .   1   1   9    9    DC   N3   N   .   .   1   1   9    9    DC   C4   C   .   175.0   185.0   .   .   .   A   .   5    DG   C2   .   .   A   .   5    DG   N1   .   .   A   .   9    DC   N3   .   .   A   .   9    DC   C4   .   .   .   5    .   C2   .   .   .   .   .   5    .   N1   .   .   .   .   .   9    .   N3   .   .   .   .   .   9    .   C4   .   .   rr_1lae   3    

   stop_

   loop_
      _TA_constraint_comment_org.ID
      _TA_constraint_comment_org.Comment_text
      _TA_constraint_comment_org.Comment_begin_line
      _TA_constraint_comment_org.Comment_begin_column
      _TA_constraint_comment_org.Comment_end_line
      _TA_constraint_comment_org.Comment_end_column
      _TA_constraint_comment_org.Entry_ID
      _TA_constraint_comment_org.Torsion_angle_constraint_list_ID

     1   'base pair planarity'   1   2   1   23   rr_1lae   3    

   stop_

save_

save_MR_file_comment_1
   _Org_constr_file_comment.Sf_framecode        MR_file_comment_1
   _Org_constr_file_comment.Sf_category         org_constr_file_comment
   _Org_constr_file_comment.Entry_ID            rr_1lae
   _Org_constr_file_comment.ID                  1
   _Org_constr_file_comment.Constraint_file_ID  1
   _Org_constr_file_comment.Block_ID            1
   _Org_constr_file_comment.Details             'Generated by Wattos'
   _Org_constr_file_comment.Comment             "*HEADER DNA 28-MAR-02 1LAE *TITLE SOLUTION STRUCTURE OF THE DNA 13-MER HAIRPIN CGCGGTXTCCGCG *TITLE 2 (X=PDG) CONTAINING THE 1,N2-PROPANODEOXYGUANOSINE ADDUCT *TITLE 3 AT THE SEVENTH POSITION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*TP*(P)P*TP*CP*CP*GP*CP*G)- *COMPND 3 3'; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED *SOURCE 4 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM. *KEYWDS DNA, HAIRPIN, NMR, PROPANPODEOXYGUANOSINE *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR J.P.WEISENSEEL, G.R.REDDY, L.J.MARNETT, M.P.STONE *REVDAT 1 17-APR-02 1LAE 0"

save_

save_MR_file_comment_9
   _Org_constr_file_comment.Sf_framecode        MR_file_comment_9
   _Org_constr_file_comment.Sf_category         org_constr_file_comment
   _Org_constr_file_comment.Entry_ID            rr_1lae
   _Org_constr_file_comment.ID                  3
   _Org_constr_file_comment.Constraint_file_ID  1
   _Org_constr_file_comment.Block_ID            9
   _Org_constr_file_comment.Details             'Generated by Wattos'
   _Org_constr_file_comment.Comment             '! Sugar Dihedral Angle Restraints set message=off echo=off end'

save_

save_MR_file_comment_7
   _Org_constr_file_comment.Sf_framecode        MR_file_comment_7
   _Org_constr_file_comment.Sf_category         org_constr_file_comment
   _Org_constr_file_comment.Entry_ID            rr_1lae
   _Org_constr_file_comment.ID                  2
   _Org_constr_file_comment.Constraint_file_ID  1
   _Org_constr_file_comment.Block_ID            7
   _Org_constr_file_comment.Details             'Generated by Wattos'
   _Org_constr_file_comment.Comment             '! Gamma and Epsilon Backbone Dihedral Angle Restraints set message=off echo=off end'

save_

save_MR_file_comment_13
   _Org_constr_file_comment.Sf_framecode        MR_file_comment_13
   _Org_constr_file_comment.Sf_category         org_constr_file_comment
   _Org_constr_file_comment.Entry_ID            rr_1lae
   _Org_constr_file_comment.ID                  5
   _Org_constr_file_comment.Constraint_file_ID  1
   _Org_constr_file_comment.Block_ID            13
   _Org_constr_file_comment.Details             'Generated by Wattos'
   _Org_constr_file_comment.Comment             'set message=on echo=on end'

save_

save_MR_file_comment_11
   _Org_constr_file_comment.Sf_framecode        MR_file_comment_11
   _Org_constr_file_comment.Sf_category         org_constr_file_comment
   _Org_constr_file_comment.Entry_ID            rr_1lae
   _Org_constr_file_comment.ID                  4
   _Org_constr_file_comment.Constraint_file_ID  1
   _Org_constr_file_comment.Block_ID            11
   _Org_constr_file_comment.Details             'Generated by Wattos'
   _Org_constr_file_comment.Comment             'set message=on echo=on end ! Base Pair Planarity Restraints set message=off echo=off end'

save_
