data_wwPDB_remediated_restraints_file_for_PDB_entry_1sy8

# This wwPDB archive file contains, for PDB entry 1sy8:
#
# - 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_1sy8
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 1sy8'
   _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 1sy8'
   _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   1sy8   'Master copy'   rr_1sy8    

   stop_

save_

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

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_1sy8
   _Assembly.ID                    1
   _Assembly.Name                  1sy8
   _Assembly.Number_of_components  2
   _Assembly.Organic_ligands       0
   _Assembly.Metal_ions            0
   _Assembly.Non_standard_bonds    no
   _Assembly.Paramagnetic          no
   _Assembly.Thiol_state           'not present'
   _Assembly.Molecular_mass        3736.38692

   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 P TP GP AP TP CP A 3'   1   $5__D_P_TP_GP_AP_TP_CP_A__3_   A   .   no   .   .   .   .   .   .   rr_1sy8   1    
     2   '5 D P TP GP AP TP CP A 3'   1   $5__D_P_TP_GP_AP_TP_CP_A__3_   B   .   no   .   .   .   .   .   .   rr_1sy8   1    

   stop_

save_

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

save_5__D_P_TP_GP_AP_TP_CP_A__3_
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     5__D_P_TP_GP_AP_TP_CP_A__3_
   _Entity.Entry_ID                         rr_1sy8
   _Entity.ID                               1
   _Entity.Name                             5__D_P_TP_GP_AP_TP_CP_A__3_
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polydeoxyribonucleotide
   _Entity.Polymer_strand_ID                A,B
   _Entity.Polymer_seq_one_letter_code      TGATCA
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     no
   _Entity.Nstd_chirality                   yes
   _Entity.Nstd_linkage                     no
   _Entity.Number_of_monomers               6
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   1868.19346

   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   .   DT   .   rr_1sy8   1    
     2   .   DG   .   rr_1sy8   1    
     3   .   DA   .   rr_1sy8   1    
     4   .   DT   .   rr_1sy8   1    
     5   .   DC   .   rr_1sy8   1    
     6   .   DA   .   rr_1sy8   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

     .   DT   1   1   rr_1sy8   1    
     .   DG   2   2   rr_1sy8   1    
     .   DA   3   3   rr_1sy8   1    
     .   DT   4   4   rr_1sy8   1    
     .   DC   5   5   rr_1sy8   1    
     .   DA   6   6   rr_1sy8   1    

   stop_

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_1sy8
   _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  10

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_1sy8
   _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   1sy8.mr   .   .   'MR format'   1   comment                  'Not applicable'   'Not applicable'   0     rr_1sy8   1    
     1   1sy8.mr   .   .   DISCOVER      2   distance                 NOE                simple             242   rr_1sy8   1    
     1   1sy8.mr   .   .   DISCOVER      3   distance                 'hydrogen bond'    simple             0     rr_1sy8   1    
     1   1sy8.mr   .   .   'MR format'   4   'nomenclature mapping'   'Not applicable'   'Not applicable'   0     rr_1sy8   1    

   stop_

save_

save_Discover_distance_constraints_2
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        Discover_distance_constraints_2
   _Gen_dist_constraint_list.Entry_ID            rr_1sy8
   _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_1sy8   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   DT   H1'    H   .   .   .   1   1   1   1   DT   H2''   H   .   .   .   .   .   .   2.66   3.06   .   .   .   .   .   A   .   1   DT   H1'    .   .   A   .   1   DT   H2''   .   1   .   1   T   H1'    .   .   .   1   .   1   T   H2'2   .   .   rr_1sy8   1    
     2     1   .   .   1   1   1   1   DT   H1'    H   .   .   .   1   1   1   1   DT   H2'    H   .   .   .   .   .   .   2.15   2.40   .   .   .   .   .   A   .   1   DT   H1'    .   .   A   .   1   DT   H2'    .   1   .   1   T   H1'    .   .   .   1   .   1   T   H2'1   .   .   rr_1sy8   1    
     3     1   .   .   1   1   1   1   DT   H1'    H   .   .   .   1   1   1   1   DT   H4'    H   .   .   .   .   .   .   2.49   2.89   .   .   .   .   .   A   .   1   DT   H1'    .   .   A   .   1   DT   H4'    .   1   .   1   T   H1'    .   .   .   1   .   1   T   H4'    .   .   rr_1sy8   1    
     4     1   .   .   1   1   1   1   DT   H2''   H   .   .   .   1   1   1   1   DT   H3'    H   .   .   .   .   .   .   2.40   2.80   .   .   .   .   .   A   .   1   DT   H2''   .   .   A   .   1   DT   H3'    .   1   .   1   T   H2'2   .   .   .   1   .   1   T   H3'    .   .   rr_1sy8   1    
     5     1   .   .   1   1   1   1   DT   H2'    H   .   .   .   1   1   1   1   DT   H3'    H   .   .   .   .   .   .   2.50   2.90   .   .   .   .   .   A   .   1   DT   H2'    .   .   A   .   1   DT   H3'    .   1   .   1   T   H2'1   .   .   .   1   .   1   T   H3'    .   .   rr_1sy8   1    
     6     1   .   .   1   1   1   1   DT   H2'    H   .   .   .   1   1   1   1   DT   H4'    H   .   .   .   .   .   .   3.00   3.42   .   .   .   .   .   A   .   1   DT   H2'    .   .   A   .   1   DT   H4'    .   1   .   1   T   H2'1   .   .   .   1   .   1   T   H4'    .   .   rr_1sy8   1    
     7     1   .   .   1   1   1   1   DT   H2''   H   .   .   .   1   1   1   1   DT   H2'    H   .   .   .   .   .   .   1.80   2.00   .   .   .   .   .   A   .   1   DT   H2''   .   .   A   .   1   DT   H2'    .   1   .   1   T   H2'2   .   .   .   1   .   1   T   H2'1   .   .   rr_1sy8   1    
     8     1   .   .   1   1   1   1   DT   H4'    H   .   .   .   1   1   1   1   DT   H3'    H   .   .   .   .   .   .   2.55   2.95   .   .   .   .   .   A   .   1   DT   H4'    .   .   A   .   1   DT   H3'    .   1   .   1   T   H4'    .   .   .   1   .   1   T   H3'    .   .   rr_1sy8   1    
     9     1   .   .   1   1   1   1   DT   H3'    H   .   .   .   1   1   1   1   DT   H5''   H   .   .   .   .   .   .   2.40   2.80   .   .   .   .   .   A   .   1   DT   H3'    .   .   A   .   1   DT   H5''   .   1   .   1   T   H3'    .   .   .   1   .   1   T   H5'2   .   .   rr_1sy8   1    
     10    1   .   .   1   1   1   1   DT   H3'    H   .   .   .   1   1   1   1   DT   H5'    H   .   .   .   .   .   .   3.60   4.00   .   .   .   .   .   A   .   1   DT   H3'    .   .   A   .   1   DT   H5'    .   1   .   1   T   H3'    .   .   .   1   .   1   T   H5'1   .   .   rr_1sy8   1    
     11    1   .   .   1   1   1   1   DT   H4'    H   .   .   .   1   1   1   1   DT   H5'    H   .   .   .   .   .   .   2.30   2.70   .   .   .   .   .   A   .   1   DT   H4'    .   .   A   .   1   DT   H5'    .   1   .   1   T   H4'    .   .   .   1   .   1   T   H5'1   .   .   rr_1sy8   1    
     12    1   .   .   1   1   1   1   DT   H1'    H   .   .   .   1   1   1   1   DT   H6     H   .   .   .   .   .   .   3.13   3.73   .   .   .   .   .   A   .   1   DT   H1'    .   .   A   .   1   DT   H6     .   1   .   1   T   H1'    .   .   .   1   .   1   T   H6     .   .   rr_1sy8   1    
     13    1   .   .   1   1   1   1   DT   H2''   H   .   .   .   1   1   1   1   DT   H6     H   .   .   .   .   .   .   2.20   2.80   .   .   .   .   .   A   .   1   DT   H2''   .   .   A   .   1   DT   H6     .   1   .   1   T   H2'2   .   .   .   1   .   1   T   H6     .   .   rr_1sy8   1    
     14    1   .   .   1   1   1   1   DT   H2'    H   .   .   .   1   1   1   1   DT   H6     H   .   .   .   .   .   .   3.00   3.40   .   .   .   .   .   A   .   1   DT   H2'    .   .   A   .   1   DT   H6     .   1   .   1   T   H2'1   .   .   .   1   .   1   T   H6     .   .   rr_1sy8   1    
     15    1   .   .   1   1   1   1   DT   H3'    H   .   .   .   1   1   1   1   DT   H6     H   .   .   .   .   .   .   3.50   4.00   .   .   .   .   .   A   .   1   DT   H3'    .   .   A   .   1   DT   H6     .   1   .   1   T   H3'    .   .   .   1   .   1   T   H6     .   .   rr_1sy8   1    
     16    1   .   .   1   1   1   1   DT   H5''   H   .   .   .   1   1   1   1   DT   H6     H   .   .   .   .   .   .   3.40   3.80   .   .   .   .   .   A   .   1   DT   H5''   .   .   A   .   1   DT   H6     .   1   .   1   T   H5'2   .   .   .   1   .   1   T   H6     .   .   rr_1sy8   1    
     17    1   .   .   1   1   1   1   DT   H1'    H   .   .   .   1   1   2   2   DG   H5'    H   .   .   .   .   .   .   2.90   3.30   .   .   .   .   .   A   .   1   DT   H1'    .   .   A   .   2   DG   H5'    .   1   .   1   T   H1'    .   .   .   1   .   2   G   H5'1   .   .   rr_1sy8   1    
     18    1   .   .   1   1   1   1   DT   H1'    H   .   .   .   1   1   2   2   DG   H8     H   .   .   .   .   .   .   3.10   3.50   .   .   .   .   .   A   .   1   DT   H1'    .   .   A   .   2   DG   H8     .   1   .   1   T   H1'    .   .   .   1   .   2   G   H8     .   .   rr_1sy8   1    
     19    1   .   .   1   1   1   1   DT   H2''   H   .   .   .   1   1   2   2   DG   H8     H   .   .   .   .   .   .   4.00   4.40   .   .   .   .   .   A   .   1   DT   H2''   .   .   A   .   2   DG   H8     .   1   .   1   T   H2'2   .   .   .   1   .   2   G   H8     .   .   rr_1sy8   1    
     20    1   .   .   1   1   1   1   DT   H2'    H   .   .   .   1   1   2   2   DG   H8     H   .   .   .   .   .   .   3.40   3.80   .   .   .   .   .   A   .   1   DT   H2'    .   .   A   .   2   DG   H8     .   1   .   1   T   H2'1   .   .   .   1   .   2   G   H8     .   .   rr_1sy8   1    
     21    1   .   .   1   1   2   2   DG   H1'    H   .   .   .   1   1   2   2   DG   H2'    H   .   .   .   .   .   .   2.05   2.45   .   .   .   .   .   A   .   2   DG   H1'    .   .   A   .   2   DG   H2'    .   1   .   2   G   H1'    .   .   .   1   .   2   G   H2'1   .   .   rr_1sy8   1    
     22    1   .   .   1   1   2   2   DG   H1'    H   .   .   .   1   1   2   2   DG   H3'    H   .   .   .   .   .   .   3.20   3.40   .   .   .   .   .   A   .   2   DG   H1'    .   .   A   .   2   DG   H3'    .   1   .   2   G   H1'    .   .   .   1   .   2   G   H3'    .   .   rr_1sy8   1    
     23    1   .   .   1   1   2   2   DG   H1'    H   .   .   .   1   1   2   2   DG   H4'    H   .   .   .   .   .   .   2.68   3.08   .   .   .   .   .   A   .   2   DG   H1'    .   .   A   .   2   DG   H4'    .   1   .   2   G   H1'    .   .   .   1   .   2   G   H4'    .   .   rr_1sy8   1    
     24    1   .   .   1   1   2   2   DG   H3'    H   .   .   .   1   1   2   2   DG   H2''   H   .   .   .   .   .   .   2.15   2.35   .   .   .   .   .   A   .   2   DG   H3'    .   .   A   .   2   DG   H2''   .   1   .   2   G   H3'    .   .   .   1   .   2   G   H2'2   .   .   rr_1sy8   1    
     25    1   .   .   1   1   2   2   DG   H2'    H   .   .   .   1   1   2   2   DG   H3'    H   .   .   .   .   .   .   2.40   2.80   .   .   .   .   .   A   .   2   DG   H2'    .   .   A   .   2   DG   H3'    .   1   .   2   G   H2'1   .   .   .   1   .   2   G   H3'    .   .   rr_1sy8   1    
     26    1   .   .   1   1   2   2   DG   H3'    H   .   .   .   1   1   2   2   DG   H4'    H   .   .   .   .   .   .   2.50   2.90   .   .   .   .   .   A   .   2   DG   H3'    .   .   A   .   2   DG   H4'    .   1   .   2   G   H3'    .   .   .   1   .   2   G   H4'    .   .   rr_1sy8   1    
     27    1   .   .   1   1   2   2   DG   H3'    H   .   .   .   1   1   2   2   DG   H5''   H   .   .   .   .   .   .   2.27   2.67   .   .   .   .   .   A   .   2   DG   H3'    .   .   A   .   2   DG   H5''   .   1   .   2   G   H3'    .   .   .   1   .   2   G   H5'2   .   .   rr_1sy8   1    
     28    1   .   .   1   1   2   2   DG   H5'    H   .   .   .   1   1   2   2   DG   H3'    H   .   .   .   .   .   .   2.55   2.95   .   .   .   .   .   A   .   2   DG   H5'    .   .   A   .   2   DG   H3'    .   1   .   2   G   H5'1   .   .   .   1   .   2   G   H3'    .   .   rr_1sy8   1    
     29    1   .   .   1   1   2   2   DG   H5'    H   .   .   .   1   1   2   2   DG   H4'    H   .   .   .   .   .   .   2.10   2.50   .   .   .   .   .   A   .   2   DG   H5'    .   .   A   .   2   DG   H4'    .   1   .   2   G   H5'1   .   .   .   1   .   2   G   H4'    .   .   rr_1sy8   1    
     30    1   .   .   1   1   2   2   DG   H8     H   .   .   .   1   1   2   2   DG   H1'    H   .   .   .   .   .   .   3.16   3.76   .   .   .   .   .   A   .   2   DG   H8     .   .   A   .   2   DG   H1'    .   1   .   2   G   H8     .   .   .   1   .   2   G   H1'    .   .   rr_1sy8   1    
     31    1   .   .   1   1   2   2   DG   H8     H   .   .   .   1   1   2   2   DG   H2''   H   .   .   .   .   .   .   2.15   2.40   .   .   .   .   .   A   .   2   DG   H8     .   .   A   .   2   DG   H2''   .   1   .   2   G   H8     .   .   .   1   .   2   G   H2'2   .   .   rr_1sy8   1    
     32    1   .   .   1   1   2   2   DG   H8     H   .   .   .   1   1   2   2   DG   H2'    H   .   .   .   .   .   .   3.20   3.60   .   .   .   .   .   A   .   2   DG   H8     .   .   A   .   2   DG   H2'    .   1   .   2   G   H8     .   .   .   1   .   2   G   H2'1   .   .   rr_1sy8   1    
     33    1   .   .   1   1   2   2   DG   H8     H   .   .   .   1   1   2   2   DG   H3'    H   .   .   .   .   .   .   3.20   3.70   .   .   .   .   .   A   .   2   DG   H8     .   .   A   .   2   DG   H3'    .   1   .   2   G   H8     .   .   .   1   .   2   G   H3'    .   .   rr_1sy8   1    
     34    1   .   .   1   1   2   2   DG   H1'    H   .   .   .   1   1   3   3   DA   H5'    H   .   .   .   .   .   .   3.37   3.77   .   .   .   .   .   A   .   2   DG   H1'    .   .   A   .   3   DA   H5'    .   1   .   2   G   H1'    .   .   .   1   .   3   A   H5'1   .   .   rr_1sy8   1    
     35    1   .   .   1   1   2   2   DG   H1'    H   .   .   .   1   1   3   3   DA   H8     H   .   .   .   .   .   .   2.90   3.30   .   .   .   .   .   A   .   2   DG   H1'    .   .   A   .   3   DA   H8     .   1   .   2   G   H1'    .   .   .   1   .   3   A   H8     .   .   rr_1sy8   1    
     36    1   .   .   1   1   2   2   DG   H2''   H   .   .   .   1   1   3   3   DA   H8     H   .   .   .   .   .   .   3.20   3.40   .   .   .   .   .   A   .   2   DG   H2''   .   .   A   .   3   DA   H8     .   1   .   2   G   H2'2   .   .   .   1   .   3   A   H8     .   .   rr_1sy8   1    
     37    1   .   .   1   1   2   2   DG   H2'    H   .   .   .   1   1   3   3   DA   H8     H   .   .   .   .   .   .   2.20   2.40   .   .   .   .   .   A   .   2   DG   H2'    .   .   A   .   3   DA   H8     .   1   .   2   G   H2'1   .   .   .   1   .   3   A   H8     .   .   rr_1sy8   1    
     38    1   .   .   1   1   3   3   DA   H1'    H   .   .   .   1   1   3   3   DA   H2''   H   .   .   .   .   .   .   2.60   3.00   .   .   .   .   .   A   .   3   DA   H1'    .   .   A   .   3   DA   H2''   .   1   .   3   A   H1'    .   .   .   1   .   3   A   H2'2   .   .   rr_1sy8   1    
     39    1   .   .   1   1   3   3   DA   H1'    H   .   .   .   1   1   3   3   DA   H2'    H   .   .   .   .   .   .   2.20   2.60   .   .   .   .   .   A   .   3   DA   H1'    .   .   A   .   3   DA   H2'    .   1   .   3   A   H1'    .   .   .   1   .   3   A   H2'1   .   .   rr_1sy8   1    
     40    1   .   .   1   1   3   3   DA   H1'    H   .   .   .   1   1   3   3   DA   H3'    H   .   .   .   .   .   .   3.20   3.60   .   .   .   .   .   A   .   3   DA   H1'    .   .   A   .   3   DA   H3'    .   1   .   3   A   H1'    .   .   .   1   .   3   A   H3'    .   .   rr_1sy8   1    
     41    1   .   .   1   1   3   3   DA   H1'    H   .   .   .   1   1   3   3   DA   H4'    H   .   .   .   .   .   .   2.90   3.30   .   .   .   .   .   A   .   3   DA   H1'    .   .   A   .   3   DA   H4'    .   1   .   3   A   H1'    .   .   .   1   .   3   A   H4'    .   .   rr_1sy8   1    
     42    1   .   .   1   1   3   3   DA   H1'    H   .   .   .   1   1   3   3   DA   H5''   H   .   .   .   .   .   .   4.00   4.40   .   .   .   .   .   A   .   3   DA   H1'    .   .   A   .   3   DA   H5''   .   1   .   3   A   H1'    .   .   .   1   .   3   A   H5'2   .   .   rr_1sy8   1    
     43    1   .   .   1   1   3   3   DA   H5'    H   .   .   .   1   1   3   3   DA   H1'    H   .   .   .   .   .   .   3.80   4.20   .   .   .   .   .   A   .   3   DA   H5'    .   .   A   .   3   DA   H1'    .   1   .   3   A   H5'1   .   .   .   1   .   3   A   H1'    .   .   rr_1sy8   1    
     44    1   .   .   1   1   3   3   DA   H2''   H   .   .   .   1   1   3   3   DA   H3'    H   .   .   .   .   .   .   2.15   2.35   .   .   .   .   .   A   .   3   DA   H2''   .   .   A   .   3   DA   H3'    .   1   .   3   A   H2'2   .   .   .   1   .   3   A   H3'    .   .   rr_1sy8   1    
     45    1   .   .   1   1   3   3   DA   H2'    H   .   .   .   1   1   3   3   DA   H3'    H   .   .   .   .   .   .   2.31   2.71   .   .   .   .   .   A   .   3   DA   H2'    .   .   A   .   3   DA   H3'    .   1   .   3   A   H2'1   .   .   .   1   .   3   A   H3'    .   .   rr_1sy8   1    
     46    1   .   .   1   1   3   3   DA   H2''   H   .   .   .   1   1   3   3   DA   H4'    H   .   .   .   .   .   .   3.76   4.16   .   .   .   .   .   A   .   3   DA   H2''   .   .   A   .   3   DA   H4'    .   1   .   3   A   H2'2   .   .   .   1   .   3   A   H4'    .   .   rr_1sy8   1    
     47    1   .   .   1   1   3   3   DA   H2''   H   .   .   .   1   1   3   3   DA   H2'    H   .   .   .   .   .   .   1.80   2.00   .   .   .   .   .   A   .   3   DA   H2''   .   .   A   .   3   DA   H2'    .   1   .   3   A   H2'2   .   .   .   1   .   3   A   H2'1   .   .   rr_1sy8   1    
     48    1   .   .   1   1   3   3   DA   H3'    H   .   .   .   1   1   3   3   DA   H4'    H   .   .   .   .   .   .   2.26   2.66   .   .   .   .   .   A   .   3   DA   H3'    .   .   A   .   3   DA   H4'    .   1   .   3   A   H3'    .   .   .   1   .   3   A   H4'    .   .   rr_1sy8   1    
     49    1   .   .   1   1   3   3   DA   H3'    H   .   .   .   1   1   3   3   DA   H5''   H   .   .   .   .   .   .   2.15   2.40   .   .   .   .   .   A   .   3   DA   H3'    .   .   A   .   3   DA   H5''   .   1   .   3   A   H3'    .   .   .   1   .   3   A   H5'2   .   .   rr_1sy8   1    
     50    1   .   .   1   1   3   3   DA   H5'    H   .   .   .   1   1   3   3   DA   H3'    H   .   .   .   .   .   .   3.40   3.80   .   .   .   .   .   A   .   3   DA   H5'    .   .   A   .   3   DA   H3'    .   1   .   3   A   H5'1   .   .   .   1   .   3   A   H3'    .   .   rr_1sy8   1    
     51    1   .   .   1   1   3   3   DA   H8     H   .   .   .   1   1   3   3   DA   H1'    H   .   .   .   .   .   .   3.05   3.65   .   .   .   .   .   A   .   3   DA   H8     .   .   A   .   3   DA   H1'    .   1   .   3   A   H8     .   .   .   1   .   3   A   H1'    .   .   rr_1sy8   1    
     52    1   .   .   1   1   3   3   DA   H8     H   .   .   .   1   1   3   3   DA   H2''   H   .   .   .   .   .   .   2.15   2.40   .   .   .   .   .   A   .   3   DA   H8     .   .   A   .   3   DA   H2''   .   1   .   3   A   H8     .   .   .   1   .   3   A   H2'2   .   .   rr_1sy8   1    
     53    1   .   .   1   1   3   3   DA   H8     H   .   .   .   1   1   3   3   DA   H2'    H   .   .   .   .   .   .   3.00   3.40   .   .   .   .   .   A   .   3   DA   H8     .   .   A   .   3   DA   H2'    .   1   .   3   A   H8     .   .   .   1   .   3   A   H2'1   .   .   rr_1sy8   1    
     54    1   .   .   1   1   3   3   DA   H8     H   .   .   .   1   1   3   3   DA   H3'    H   .   .   .   .   .   .   2.90   3.30   .   .   .   .   .   A   .   3   DA   H8     .   .   A   .   3   DA   H3'    .   1   .   3   A   H8     .   .   .   1   .   3   A   H3'    .   .   rr_1sy8   1    
     55    1   .   .   1   1   3   3   DA   H8     H   .   .   .   1   1   3   3   DA   H4'    H   .   .   .   .   .   .   3.80   4.20   .   .   .   .   .   A   .   3   DA   H8     .   .   A   .   3   DA   H4'    .   1   .   3   A   H8     .   .   .   1   .   3   A   H4'    .   .   rr_1sy8   1    
     56    1   .   .   1   1   3   3   DA   H5'    H   .   .   .   1   1   3   3   DA   H8     H   .   .   .   .   .   .   3.10   3.50   .   .   .   .   .   A   .   3   DA   H5'    .   .   A   .   3   DA   H8     .   1   .   3   A   H5'1   .   .   .   1   .   3   A   H8     .   .   rr_1sy8   1    
     57    1   .   .   1   1   3   3   DA   H1'    H   .   .   .   1   1   4   4   DT   H5'    H   .   .   .   .   .   .   2.90   3.30   .   .   .   .   .   A   .   3   DA   H1'    .   .   A   .   4   DT   H5'    .   1   .   3   A   H1'    .   .   .   1   .   4   T   H5'1   .   .   rr_1sy8   1    
     58    1   .   .   1   1   3   3   DA   H1'    H   .   .   .   1   1   4   4   DT   H6     H   .   .   .   .   .   .   2.94   3.39   .   .   .   .   .   A   .   3   DA   H1'    .   .   A   .   4   DT   H6     .   1   .   3   A   H1'    .   .   .   1   .   4   T   H6     .   .   rr_1sy8   1    
     59    1   .   .   1   1   3   3   DA   H2''   H   .   .   .   1   1   4   4   DT   H6     H   .   .   .   .   .   .   3.00   3.40   .   .   .   .   .   A   .   3   DA   H2''   .   .   A   .   4   DT   H6     .   1   .   3   A   H2'2   .   .   .   1   .   4   T   H6     .   .   rr_1sy8   1    
     60    1   .   .   1   1   3   3   DA   H2'    H   .   .   .   1   1   4   4   DT   H6     H   .   .   .   .   .   .   2.70   3.01   .   .   .   .   .   A   .   3   DA   H2'    .   .   A   .   4   DT   H6     .   1   .   3   A   H2'1   .   .   .   1   .   4   T   H6     .   .   rr_1sy8   1    
     61    1   .   .   1   1   4   4   DT   H1'    H   .   .   .   1   1   4   4   DT   H2''   H   .   .   .   .   .   .   2.47   2.87   .   .   .   .   .   A   .   4   DT   H1'    .   .   A   .   4   DT   H2''   .   1   .   4   T   H1'    .   .   .   1   .   4   T   H2'2   .   .   rr_1sy8   1    
     62    1   .   .   1   1   4   4   DT   H1'    H   .   .   .   1   1   4   4   DT   H2'    H   .   .   .   .   .   .   2.15   2.35   .   .   .   .   .   A   .   4   DT   H1'    .   .   A   .   4   DT   H2'    .   1   .   4   T   H1'    .   .   .   1   .   4   T   H2'1   .   .   rr_1sy8   1    
     63    1   .   .   1   1   4   4   DT   H1'    H   .   .   .   1   1   4   4   DT   H4'    H   .   .   .   .   .   .   2.45   2.85   .   .   .   .   .   A   .   4   DT   H1'    .   .   A   .   4   DT   H4'    .   1   .   4   T   H1'    .   .   .   1   .   4   T   H4'    .   .   rr_1sy8   1    
     64    1   .   .   1   1   4   4   DT   H5'    H   .   .   .   1   1   4   4   DT   H1'    H   .   .   .   .   .   .   3.90   4.30   .   .   .   .   .   A   .   4   DT   H5'    .   .   A   .   4   DT   H1'    .   1   .   4   T   H5'1   .   .   .   1   .   4   T   H1'    .   .   rr_1sy8   1    
     65    1   .   .   1   1   4   4   DT   H2''   H   .   .   .   1   1   4   4   DT   H3'    H   .   .   .   .   .   .   2.20   2.60   .   .   .   .   .   A   .   4   DT   H2''   .   .   A   .   4   DT   H3'    .   1   .   4   T   H2'2   .   .   .   1   .   4   T   H3'    .   .   rr_1sy8   1    
     66    1   .   .   1   1   4   4   DT   H2'    H   .   .   .   1   1   4   4   DT   H3'    H   .   .   .   .   .   .   2.60   3.00   .   .   .   .   .   A   .   4   DT   H2'    .   .   A   .   4   DT   H3'    .   1   .   4   T   H2'1   .   .   .   1   .   4   T   H3'    .   .   rr_1sy8   1    
     67    1   .   .   1   1   4   4   DT   H2''   H   .   .   .   1   1   4   4   DT   H4'    H   .   .   .   .   .   .   4.00   4.40   .   .   .   .   .   A   .   4   DT   H2''   .   .   A   .   4   DT   H4'    .   1   .   4   T   H2'2   .   .   .   1   .   4   T   H4'    .   .   rr_1sy8   1    
     68    1   .   .   1   1   4   4   DT   H2'    H   .   .   .   1   1   4   4   DT   H4'    H   .   .   .   .   .   .   3.02   3.42   .   .   .   .   .   A   .   4   DT   H2'    .   .   A   .   4   DT   H4'    .   1   .   4   T   H2'1   .   .   .   1   .   4   T   H4'    .   .   rr_1sy8   1    
     69    1   .   .   1   1   4   4   DT   H2''   H   .   .   .   1   1   4   4   DT   H2'    H   .   .   .   .   .   .   1.71   1.91   .   .   .   .   .   A   .   4   DT   H2''   .   .   A   .   4   DT   H2'    .   1   .   4   T   H2'2   .   .   .   1   .   4   T   H2'1   .   .   rr_1sy8   1    
     70    1   .   .   1   1   4   4   DT   H4'    H   .   .   .   1   1   4   4   DT   H3'    H   .   .   .   .   .   .   2.25   2.65   .   .   .   .   .   A   .   4   DT   H4'    .   .   A   .   4   DT   H3'    .   1   .   4   T   H4'    .   .   .   1   .   4   T   H3'    .   .   rr_1sy8   1    
     71    1   .   .   1   1   4   4   DT   H6     H   .   .   .   1   1   4   4   DT   H1'    H   .   .   .   .   .   .   3.16   3.76   .   .   .   .   .   A   .   4   DT   H6     .   .   A   .   4   DT   H1'    .   1   .   4   T   H6     .   .   .   1   .   4   T   H1'    .   .   rr_1sy8   1    
     72    1   .   .   1   1   4   4   DT   H6     H   .   .   .   1   1   4   4   DT   H2''   H   .   .   .   .   .   .   2.11   2.21   .   .   .   .   .   A   .   4   DT   H6     .   .   A   .   4   DT   H2''   .   1   .   4   T   H6     .   .   .   1   .   4   T   H2'2   .   .   rr_1sy8   1    
     73    1   .   .   1   1   4   4   DT   H6     H   .   .   .   1   1   4   4   DT   H2'    H   .   .   .   .   .   .   2.60   3.00   .   .   .   .   .   A   .   4   DT   H6     .   .   A   .   4   DT   H2'    .   1   .   4   T   H6     .   .   .   1   .   4   T   H2'1   .   .   rr_1sy8   1    
     74    1   .   .   1   1   4   4   DT   H6     H   .   .   .   1   1   4   4   DT   H3'    H   .   .   .   .   .   .   3.60   4.10   .   .   .   .   .   A   .   4   DT   H6     .   .   A   .   4   DT   H3'    .   1   .   4   T   H6     .   .   .   1   .   4   T   H3'    .   .   rr_1sy8   1    
     75    1   .   .   1   1   4   4   DT   H1'    H   .   .   .   1   1   5   5   DC   H5'    H   .   .   .   .   .   .   3.18   3.58   .   .   .   .   .   A   .   4   DT   H1'    .   .   A   .   5   DC   H5'    .   1   .   4   T   H1'    .   .   .   1   .   5   C   H5'1   .   .   rr_1sy8   1    
     76    1   .   .   1   1   4   4   DT   H1'    H   .   .   .   1   1   5   5   DC   H6     H   .   .   .   .   .   .   3.30   3.70   .   .   .   .   .   A   .   4   DT   H1'    .   .   A   .   5   DC   H6     .   1   .   4   T   H1'    .   .   .   1   .   5   C   H6     .   .   rr_1sy8   1    
     77    1   .   .   1   1   4   4   DT   H2'    H   .   .   .   1   1   5   5   DC   H5     H   .   .   .   .   .   .   3.90   4.30   .   .   .   .   .   A   .   4   DT   H2'    .   .   A   .   5   DC   H5     .   1   .   4   T   H2'1   .   .   .   1   .   5   C   H5     .   .   rr_1sy8   1    
     78    1   .   .   1   1   4   4   DT   H2''   H   .   .   .   1   1   5   5   DC   H5     H   .   .   .   .   .   .   2.88   3.28   .   .   .   .   .   A   .   4   DT   H2''   .   .   A   .   5   DC   H5     .   1   .   4   T   H2'2   .   .   .   1   .   5   C   H5     .   .   rr_1sy8   1    
     79    1   .   .   1   1   4   4   DT   H2''   H   .   .   .   1   1   5   5   DC   H6     H   .   .   .   .   .   .   3.20   3.60   .   .   .   .   .   A   .   4   DT   H2''   .   .   A   .   5   DC   H6     .   1   .   4   T   H2'2   .   .   .   1   .   5   C   H6     .   .   rr_1sy8   1    
     80    1   .   .   1   1   4   4   DT   H6     H   .   .   .   1   1   5   5   DC   H5     H   .   .   .   .   .   .   3.60   3.80   .   .   .   .   .   A   .   4   DT   H6     .   .   A   .   5   DC   H5     .   1   .   4   T   H6     .   .   .   1   .   5   C   H5     .   .   rr_1sy8   1    
     81    1   .   .   1   1   4   4   DT   H2'    H   .   .   .   1   1   5   5   DC   H6     H   .   .   .   .   .   .   2.15   2.55   .   .   .   .   .   A   .   4   DT   H2'    .   .   A   .   5   DC   H6     .   1   .   4   T   H2'1   .   .   .   1   .   5   C   H6     .   .   rr_1sy8   1    
     82    1   .   .   1   1   4   4   DT   H3'    H   .   .   .   1   1   5   5   DC   H6     H   .   .   .   .   .   .   3.80   4.20   .   .   .   .   .   A   .   4   DT   H3'    .   .   A   .   5   DC   H6     .   1   .   4   T   H3'    .   .   .   1   .   5   C   H6     .   .   rr_1sy8   1    
     83    1   .   .   1   1   5   5   DC   H1'    H   .   .   .   1   1   5   5   DC   H2''   H   .   .   .   .   .   .   2.93   3.33   .   .   .   .   .   A   .   5   DC   H1'    .   .   A   .   5   DC   H2''   .   1   .   5   C   H1'    .   .   .   1   .   5   C   H2'2   .   .   rr_1sy8   1    
     84    1   .   .   1   1   5   5   DC   H1'    H   .   .   .   1   1   5   5   DC   H2'    H   .   .   .   .   .   .   2.15   2.40   .   .   .   .   .   A   .   5   DC   H1'    .   .   A   .   5   DC   H2'    .   1   .   5   C   H1'    .   .   .   1   .   5   C   H2'1   .   .   rr_1sy8   1    
     85    1   .   .   1   1   5   5   DC   H1'    H   .   .   .   1   1   5   5   DC   H4'    H   .   .   .   .   .   .   2.50   2.90   .   .   .   .   .   A   .   5   DC   H1'    .   .   A   .   5   DC   H4'    .   1   .   5   C   H1'    .   .   .   1   .   5   C   H4'    .   .   rr_1sy8   1    
     86    1   .   .   1   1   5   5   DC   H2''   H   .   .   .   1   1   5   5   DC   H3'    H   .   .   .   .   .   .   2.20   2.80   .   .   .   .   .   A   .   5   DC   H2''   .   .   A   .   5   DC   H3'    .   1   .   5   C   H2'2   .   .   .   1   .   5   C   H3'    .   .   rr_1sy8   1    
     87    1   .   .   1   1   5   5   DC   H2'    H   .   .   .   1   1   5   5   DC   H3'    H   .   .   .   .   .   .   2.70   3.10   .   .   .   .   .   A   .   5   DC   H2'    .   .   A   .   5   DC   H3'    .   1   .   5   C   H2'1   .   .   .   1   .   5   C   H3'    .   .   rr_1sy8   1    
     88    1   .   .   1   1   5   5   DC   H2'    H   .   .   .   1   1   5   5   DC   H4'    H   .   .   .   .   .   .   3.02   3.42   .   .   .   .   .   A   .   5   DC   H2'    .   .   A   .   5   DC   H4'    .   1   .   5   C   H2'1   .   .   .   1   .   5   C   H4'    .   .   rr_1sy8   1    
     89    1   .   .   1   1   5   5   DC   H2''   H   .   .   .   1   1   5   5   DC   H2'    H   .   .   .   .   .   .   1.70   1.90   .   .   .   .   .   A   .   5   DC   H2''   .   .   A   .   5   DC   H2'    .   1   .   5   C   H2'2   .   .   .   1   .   5   C   H2'1   .   .   rr_1sy8   1    
     90    1   .   .   1   1   5   5   DC   H4'    H   .   .   .   1   1   5   5   DC   H3'    H   .   .   .   .   .   .   2.30   2.70   .   .   .   .   .   A   .   5   DC   H4'    .   .   A   .   5   DC   H3'    .   1   .   5   C   H4'    .   .   .   1   .   5   C   H3'    .   .   rr_1sy8   1    
     91    1   .   .   1   1   5   5   DC   H3'    H   .   .   .   1   1   5   5   DC   H5''   H   .   .   .   .   .   .   2.40   2.80   .   .   .   .   .   A   .   5   DC   H3'    .   .   A   .   5   DC   H5''   .   1   .   5   C   H3'    .   .   .   1   .   5   C   H5'2   .   .   rr_1sy8   1    
     92    1   .   .   1   1   5   5   DC   H5'    H   .   .   .   1   1   5   5   DC   H3'    H   .   .   .   .   .   .   3.80   4.20   .   .   .   .   .   A   .   5   DC   H5'    .   .   A   .   5   DC   H3'    .   1   .   5   C   H5'1   .   .   .   1   .   5   C   H3'    .   .   rr_1sy8   1    
     93    1   .   .   1   1   5   5   DC   H6     H   .   .   .   1   1   5   5   DC   H5     H   .   .   .   .   .   .   2.25   2.65   .   .   .   .   .   A   .   5   DC   H6     .   .   A   .   5   DC   H5     .   1   .   5   C   H6     .   .   .   1   .   5   C   H5     .   .   rr_1sy8   1    
     94    1   .   .   1   1   5   5   DC   H6     H   .   .   .   1   1   5   5   DC   H1'    H   .   .   .   .   .   .   3.20   3.80   .   .   .   .   .   A   .   5   DC   H6     .   .   A   .   5   DC   H1'    .   1   .   5   C   H6     .   .   .   1   .   5   C   H1'    .   .   rr_1sy8   1    
     95    1   .   .   1   1   5   5   DC   H6     H   .   .   .   1   1   5   5   DC   H2''   H   .   .   .   .   .   .   2.15   2.40   .   .   .   .   .   A   .   5   DC   H6     .   .   A   .   5   DC   H2''   .   1   .   5   C   H6     .   .   .   1   .   5   C   H2'2   .   .   rr_1sy8   1    
     96    1   .   .   1   1   5   5   DC   H6     H   .   .   .   1   1   5   5   DC   H2'    H   .   .   .   .   .   .   3.20   3.60   .   .   .   .   .   A   .   5   DC   H6     .   .   A   .   5   DC   H2'    .   1   .   5   C   H6     .   .   .   1   .   5   C   H2'1   .   .   rr_1sy8   1    
     97    1   .   .   1   1   5   5   DC   H6     H   .   .   .   1   1   5   5   DC   H3'    H   .   .   .   .   .   .   3.30   3.80   .   .   .   .   .   A   .   5   DC   H6     .   .   A   .   5   DC   H3'    .   1   .   5   C   H6     .   .   .   1   .   5   C   H3'    .   .   rr_1sy8   1    
     98    1   .   .   1   1   5   5   DC   H1'    H   .   .   .   1   1   6   6   DA   H5'    H   .   .   .   .   .   .   2.90   3.30   .   .   .   .   .   A   .   5   DC   H1'    .   .   A   .   6   DA   H5'    .   1   .   5   C   H1'    .   .   .   1   .   6   A   H5'1   .   .   rr_1sy8   1    
     99    1   .   .   1   1   5   5   DC   H1'    H   .   .   .   1   1   6   6   DA   H8     H   .   .   .   .   .   .   3.30   3.70   .   .   .   .   .   A   .   5   DC   H1'    .   .   A   .   6   DA   H8     .   1   .   5   C   H1'    .   .   .   1   .   6   A   H8     .   .   rr_1sy8   1    
     100   1   .   .   1   1   5   5   DC   H2''   H   .   .   .   1   1   6   6   DA   H8     H   .   .   .   .   .   .   4.00   4.40   .   .   .   .   .   A   .   5   DC   H2''   .   .   A   .   6   DA   H8     .   1   .   5   C   H2'2   .   .   .   1   .   6   A   H8     .   .   rr_1sy8   1    
     101   1   .   .   1   1   5   5   DC   H2'    H   .   .   .   1   1   6   6   DA   H8     H   .   .   .   .   .   .   3.44   3.66   .   .   .   .   .   A   .   5   DC   H2'    .   .   A   .   6   DA   H8     .   1   .   5   C   H2'1   .   .   .   1   .   6   A   H8     .   .   rr_1sy8   1    
     102   1   .   .   1   1   6   6   DA   H2''   H   .   .   .   1   1   6   6   DA   H1'    H   .   .   .   .   .   .   2.60   3.00   .   .   .   .   .   A   .   6   DA   H2''   .   .   A   .   6   DA   H1'    .   1   .   6   A   H2'2   .   .   .   1   .   6   A   H1'    .   .   rr_1sy8   1    
     103   1   .   .   1   1   6   6   DA   H1'    H   .   .   .   1   1   6   6   DA   H2'    H   .   .   .   .   .   .   2.20   2.60   .   .   .   .   .   A   .   6   DA   H1'    .   .   A   .   6   DA   H2'    .   1   .   6   A   H1'    .   .   .   1   .   6   A   H2'1   .   .   rr_1sy8   1    
     104   1   .   .   1   1   6   6   DA   H1'    H   .   .   .   1   1   6   6   DA   H3'    H   .   .   .   .   .   .   3.60   4.00   .   .   .   .   .   A   .   6   DA   H1'    .   .   A   .   6   DA   H3'    .   1   .   6   A   H1'    .   .   .   1   .   6   A   H3'    .   .   rr_1sy8   1    
     105   1   .   .   1   1   6   6   DA   H1'    H   .   .   .   1   1   6   6   DA   H4'    H   .   .   .   .   .   .   2.90   3.30   .   .   .   .   .   A   .   6   DA   H1'    .   .   A   .   6   DA   H4'    .   1   .   6   A   H1'    .   .   .   1   .   6   A   H4'    .   .   rr_1sy8   1    
     106   1   .   .   1   1   6   6   DA   H2''   H   .   .   .   1   1   6   6   DA   H3'    H   .   .   .   .   .   .   2.26   2.66   .   .   .   .   .   A   .   6   DA   H2''   .   .   A   .   6   DA   H3'    .   1   .   6   A   H2'2   .   .   .   1   .   6   A   H3'    .   .   rr_1sy8   1    
     107   1   .   .   1   1   6   6   DA   H2'    H   .   .   .   1   1   6   6   DA   H3'    H   .   .   .   .   .   .   2.33   2.73   .   .   .   .   .   A   .   6   DA   H2'    .   .   A   .   6   DA   H3'    .   1   .   6   A   H2'1   .   .   .   1   .   6   A   H3'    .   .   rr_1sy8   1    
     108   1   .   .   1   1   6   6   DA   H2'    H   .   .   .   1   1   6   6   DA   H4'    H   .   .   .   .   .   .   3.44   3.84   .   .   .   .   .   A   .   6   DA   H2'    .   .   A   .   6   DA   H4'    .   1   .   6   A   H2'1   .   .   .   1   .   6   A   H4'    .   .   rr_1sy8   1    
     109   1   .   .   1   1   6   6   DA   H2''   H   .   .   .   1   1   6   6   DA   H2'    H   .   .   .   .   .   .   1.76   1.96   .   .   .   .   .   A   .   6   DA   H2''   .   .   A   .   6   DA   H2'    .   1   .   6   A   H2'2   .   .   .   1   .   6   A   H2'1   .   .   rr_1sy8   1    
     110   1   .   .   1   1   6   6   DA   H3'    H   .   .   .   1   1   6   6   DA   H4'    H   .   .   .   .   .   .   2.16   2.56   .   .   .   .   .   A   .   6   DA   H3'    .   .   A   .   6   DA   H4'    .   1   .   6   A   H3'    .   .   .   1   .   6   A   H4'    .   .   rr_1sy8   1    
     111   1   .   .   1   1   6   6   DA   H3'    H   .   .   .   1   1   6   6   DA   H5''   H   .   .   .   .   .   .   2.37   2.77   .   .   .   .   .   A   .   6   DA   H3'    .   .   A   .   6   DA   H5''   .   1   .   6   A   H3'    .   .   .   1   .   6   A   H5'2   .   .   rr_1sy8   1    
     112   1   .   .   1   1   6   6   DA   H5'    H   .   .   .   1   1   6   6   DA   H3'    H   .   .   .   .   .   .   3.80   4.20   .   .   .   .   .   A   .   6   DA   H5'    .   .   A   .   6   DA   H3'    .   1   .   6   A   H5'1   .   .   .   1   .   6   A   H3'    .   .   rr_1sy8   1    
     113   1   .   .   1   1   6   6   DA   H8     H   .   .   .   1   1   6   6   DA   H1'    H   .   .   .   .   .   .   2.95   3.55   .   .   .   .   .   A   .   6   DA   H8     .   .   A   .   6   DA   H1'    .   1   .   6   A   H8     .   .   .   1   .   6   A   H1'    .   .   rr_1sy8   1    
     114   1   .   .   1   1   6   6   DA   H8     H   .   .   .   1   1   6   6   DA   H2''   H   .   .   .   .   .   .   2.20   2.60   .   .   .   .   .   A   .   6   DA   H8     .   .   A   .   6   DA   H2''   .   1   .   6   A   H8     .   .   .   1   .   6   A   H2'2   .   .   rr_1sy8   1    
     115   1   .   .   1   1   6   6   DA   H8     H   .   .   .   1   1   6   6   DA   H2'    H   .   .   .   .   .   .   3.10   3.50   .   .   .   .   .   A   .   6   DA   H8     .   .   A   .   6   DA   H2'    .   1   .   6   A   H8     .   .   .   1   .   6   A   H2'1   .   .   rr_1sy8   1    
     116   1   .   .   1   1   6   6   DA   H8     H   .   .   .   1   1   6   6   DA   H3'    H   .   .   .   .   .   .   3.00   3.50   .   .   .   .   .   A   .   6   DA   H8     .   .   A   .   6   DA   H3'    .   1   .   6   A   H8     .   .   .   1   .   6   A   H3'    .   .   rr_1sy8   1    
     117   1   .   .   1   1   6   6   DA   H5'    H   .   .   .   1   1   6   6   DA   H8     H   .   .   .   .   .   .   3.10   3.50   .   .   .   .   .   A   .   6   DA   H5'    .   .   A   .   6   DA   H8     .   1   .   6   A   H5'1   .   .   .   1   .   6   A   H8     .   .   rr_1sy8   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    'BIOSYM restraint 1 distance INTRA T1'   2     1   6     11   rr_1sy8   1    
     2    'INTERPROTON DIS T1-G2'                  24    1   25    24   rr_1sy8   1    
     3    'INTRA G2'                               30    1   31    10   rr_1sy8   1    
     4    'INTERPROTON DIS G2-A3'                  45    1   46    24   rr_1sy8   1    
     5    'INTRA A3'                               51    1   52    10   rr_1sy8   1    
     6    'INTERPROTON DIS A3-T4'                  72    1   73    24   rr_1sy8   1    
     7    'INTRA T4'                               80    1   82    2    rr_1sy8   1    
     8    'INTERPROTON DIS T4-C5'                  98    1   99    24   rr_1sy8   1    
     9    'INTRA C5'                               108   1   110   2    rr_1sy8   1    
     10   'INTERPROTON DIS C5-A6'                  126   1   127   24   rr_1sy8   1    
     11   'INTRA A6'                               132   1   133   10   rr_1sy8   1    
     12   
;
SECOND STRAND
INTRA T1
;
             150   1   152   11   rr_1sy8   1    
     13   'INTERPROTON DIS T1-G2'                  170   1   171   24   rr_1sy8   1    
     14   'INTRA G2'                               176   1   177   10   rr_1sy8   1    
     15   'INTERPROTON DIS G2-A3'                  191   1   192   24   rr_1sy8   1    
     16   'INTRA A3'                               197   1   198   10   rr_1sy8   1    
     17   'INTERPROTON DIS A3-T4'                  218   1   219   24   rr_1sy8   1    
     18   'INTRA T4'                               226   1   228   2    rr_1sy8   1    
     19   'INTERPROTON DIS T4-C5'                  244   1   245   24   rr_1sy8   1    
     20   'INTRA C5'                               254   1   256   2    rr_1sy8   1    
     21   'INTERPROTON DIS C5-A6'                  272   1   273   24   rr_1sy8   1    
     22   'INTRA A6'                               278   1   279   10   rr_1sy8   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   12    1   "Not handling restraint 12, item 1, resonance(s) '2.1.TM1' (nmrStar names) not linked"                                rr_1sy8   1    
     2     2   60    1   "Not handling restraint 60, item 1, resonance(s) '2.4.TM4' (nmrStar names) not linked"                                rr_1sy8   1    
     3     2   63    1   "Not handling restraint 63, item 1, resonance(s) '2.4.TM4' (nmrStar names) not linked"                                rr_1sy8   1    
     4     2   74    1   "Not handling restraint 74, item 1, resonance(s) '2.4.TM4' (nmrStar names) not linked"                                rr_1sy8   1    
     5     2   122   1   "Not handling restraint 122, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H2'2' (nmrStar names) not linked"    rr_1sy8   1    
     6     2   123   1   "Not handling restraint 123, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H2'1' (nmrStar names) not linked"    rr_1sy8   1    
     7     2   124   1   "Not handling restraint 124, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     8     2   125   1   "Not handling restraint 125, item 1, resonance(s) 'B.1.H2'2' (nmrStar names),'B.1.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     9     2   126   1   "Not handling restraint 126, item 1, resonance(s) 'B.1.H2'1' (nmrStar names),'B.1.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     10    2   127   1   "Not handling restraint 127, item 1, resonance(s) 'B.1.H2'1' (nmrStar names),'B.1.H4'' (nmrStar names) not linked"    rr_1sy8   1    
     11    2   128   1   "Not handling restraint 128, item 1, resonance(s) 'B.1.H2'2' (nmrStar names),'B.1.H2'1' (nmrStar names) not linked"   rr_1sy8   1    
     12    2   129   1   "Not handling restraint 129, item 1, resonance(s) 'B.1.H4'' (nmrStar names),'B.1.H3'' (nmrStar names) not linked"     rr_1sy8   1    
     13    2   130   1   "Not handling restraint 130, item 1, resonance(s) 'B.1.H3'' (nmrStar names),'B.1.H5'2' (nmrStar names) not linked"    rr_1sy8   1    
     14    2   131   1   "Not handling restraint 131, item 1, resonance(s) 'B.1.H3'' (nmrStar names),'B.1.H5'1' (nmrStar names) not linked"    rr_1sy8   1    
     15    2   132   1   "Not handling restraint 132, item 1, resonance(s) 'B.1.H4'' (nmrStar names),'B.1.H5'1' (nmrStar names) not linked"    rr_1sy8   1    
     16    2   133   1   "Not handling restraint 133, item 1, resonance(s) 'B.1.H6' (nmrStar names),'B.1.TM1B' (nmrStar names) not linked"     rr_1sy8   1    
     17    2   134   1   "Not handling restraint 134, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.1.H6' (nmrStar names) not linked"      rr_1sy8   1    
     18    2   135   1   "Not handling restraint 135, item 1, resonance(s) 'B.1.H2'2' (nmrStar names),'B.1.H6' (nmrStar names) not linked"     rr_1sy8   1    
     19    2   136   1   "Not handling restraint 136, item 1, resonance(s) 'B.1.H2'1' (nmrStar names),'B.1.H6' (nmrStar names) not linked"     rr_1sy8   1    
     20    2   137   1   "Not handling restraint 137, item 1, resonance(s) 'B.1.H3'' (nmrStar names),'B.1.H6' (nmrStar names) not linked"      rr_1sy8   1    
     21    2   138   1   "Not handling restraint 138, item 1, resonance(s) 'B.1.H5'2' (nmrStar names),'B.1.H6' (nmrStar names) not linked"     rr_1sy8   1    
     22    2   139   1   "Not handling restraint 139, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.2.H5'1' (nmrStar names) not linked"    rr_1sy8   1    
     23    2   140   1   "Not handling restraint 140, item 1, resonance(s) 'B.1.H1'' (nmrStar names),'B.2.H8' (nmrStar names) not linked"      rr_1sy8   1    
     24    2   141   1   "Not handling restraint 141, item 1, resonance(s) 'B.1.H2'2' (nmrStar names),'B.2.H8' (nmrStar names) not linked"     rr_1sy8   1    
     25    2   142   1   "Not handling restraint 142, item 1, resonance(s) 'B.1.H2'1' (nmrStar names),'B.2.H8' (nmrStar names) not linked"     rr_1sy8   1    
     26    2   143   1   "Not handling restraint 143, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H2'1' (nmrStar names) not linked"    rr_1sy8   1    
     27    2   144   1   "Not handling restraint 144, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H3'' (nmrStar names) not linked"     rr_1sy8   1    
     28    2   145   1   "Not handling restraint 145, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.2.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     29    2   146   1   "Not handling restraint 146, item 1, resonance(s) 'B.2.H3'' (nmrStar names),'B.2.H2'2' (nmrStar names) not linked"    rr_1sy8   1    
     30    2   147   1   "Not handling restraint 147, item 1, resonance(s) 'B.2.H2'1' (nmrStar names),'B.2.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     31    2   148   1   "Not handling restraint 148, item 1, resonance(s) 'B.2.H3'' (nmrStar names),'B.2.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     32    2   149   1   "Not handling restraint 149, item 1, resonance(s) 'B.2.H3'' (nmrStar names),'B.2.H5'2' (nmrStar names) not linked"    rr_1sy8   1    
     33    2   150   1   "Not handling restraint 150, item 1, resonance(s) 'B.2.H5'1' (nmrStar names),'B.2.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     34    2   151   1   "Not handling restraint 151, item 1, resonance(s) 'B.2.H5'1' (nmrStar names),'B.2.H4'' (nmrStar names) not linked"    rr_1sy8   1    
     35    2   152   1   "Not handling restraint 152, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H1'' (nmrStar names) not linked"      rr_1sy8   1    
     36    2   153   1   "Not handling restraint 153, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H2'2' (nmrStar names) not linked"     rr_1sy8   1    
     37    2   154   1   "Not handling restraint 154, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H2'1' (nmrStar names) not linked"     rr_1sy8   1    
     38    2   155   1   "Not handling restraint 155, item 1, resonance(s) 'B.2.H8' (nmrStar names),'B.2.H3'' (nmrStar names) not linked"      rr_1sy8   1    
     39    2   156   1   "Not handling restraint 156, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.3.H5'1' (nmrStar names) not linked"    rr_1sy8   1    
     40    2   157   1   "Not handling restraint 157, item 1, resonance(s) 'B.2.H1'' (nmrStar names),'B.3.H8' (nmrStar names) not linked"      rr_1sy8   1    
     41    2   158   1   "Not handling restraint 158, item 1, resonance(s) 'B.2.H2'2' (nmrStar names),'B.3.H8' (nmrStar names) not linked"     rr_1sy8   1    
     42    2   159   1   "Not handling restraint 159, item 1, resonance(s) 'B.2.H2'1' (nmrStar names),'B.3.H8' (nmrStar names) not linked"     rr_1sy8   1    
     43    2   160   1   "Not handling restraint 160, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H2'2' (nmrStar names) not linked"    rr_1sy8   1    
     44    2   161   1   "Not handling restraint 161, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H2'1' (nmrStar names) not linked"    rr_1sy8   1    
     45    2   162   1   "Not handling restraint 162, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H3'' (nmrStar names) not linked"     rr_1sy8   1    
     46    2   163   1   "Not handling restraint 163, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     47    2   164   1   "Not handling restraint 164, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.3.H5'2' (nmrStar names) not linked"    rr_1sy8   1    
     48    2   165   1   "Not handling restraint 165, item 1, resonance(s) 'B.3.H5'1' (nmrStar names),'B.3.H1'' (nmrStar names) not linked"    rr_1sy8   1    
     49    2   166   1   "Not handling restraint 166, item 1, resonance(s) 'B.3.H2'2' (nmrStar names),'B.3.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     50    2   167   1   "Not handling restraint 167, item 1, resonance(s) 'B.3.H2'1' (nmrStar names),'B.3.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     51    2   168   1   "Not handling restraint 168, item 1, resonance(s) 'B.3.H2'2' (nmrStar names),'B.3.H4'' (nmrStar names) not linked"    rr_1sy8   1    
     52    2   169   1   "Not handling restraint 169, item 1, resonance(s) 'B.3.H2'2' (nmrStar names),'B.3.H2'1' (nmrStar names) not linked"   rr_1sy8   1    
     53    2   170   1   "Not handling restraint 170, item 1, resonance(s) 'B.3.H3'' (nmrStar names),'B.3.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     54    2   171   1   "Not handling restraint 171, item 1, resonance(s) 'B.3.H3'' (nmrStar names),'B.3.H5'2' (nmrStar names) not linked"    rr_1sy8   1    
     55    2   172   1   "Not handling restraint 172, item 1, resonance(s) 'B.3.H5'1' (nmrStar names),'B.3.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     56    2   173   1   "Not handling restraint 173, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H1'' (nmrStar names) not linked"      rr_1sy8   1    
     57    2   174   1   "Not handling restraint 174, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H2'2' (nmrStar names) not linked"     rr_1sy8   1    
     58    2   175   1   "Not handling restraint 175, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H2'1' (nmrStar names) not linked"     rr_1sy8   1    
     59    2   176   1   "Not handling restraint 176, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H3'' (nmrStar names) not linked"      rr_1sy8   1    
     60    2   177   1   "Not handling restraint 177, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.3.H4'' (nmrStar names) not linked"      rr_1sy8   1    
     61    2   178   1   "Not handling restraint 178, item 1, resonance(s) 'B.3.H5'1' (nmrStar names),'B.3.H8' (nmrStar names) not linked"     rr_1sy8   1    
     62    2   179   1   "Not handling restraint 179, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.4.H5'1' (nmrStar names) not linked"    rr_1sy8   1    
     63    2   180   1   "Not handling restraint 180, item 1, resonance(s) 'B.3.H1'' (nmrStar names),'B.4.H6' (nmrStar names) not linked"      rr_1sy8   1    
     64    2   181   1   "Not handling restraint 181, item 1, resonance(s) 'B.3.H2'2' (nmrStar names),'B.4.TM4B' (nmrStar names) not linked"   rr_1sy8   1    
     65    2   182   1   "Not handling restraint 182, item 1, resonance(s) 'B.3.H2'2' (nmrStar names),'B.4.H6' (nmrStar names) not linked"     rr_1sy8   1    
     66    2   183   1   "Not handling restraint 183, item 1, resonance(s) 'B.3.H2'1' (nmrStar names),'B.4.H6' (nmrStar names) not linked"     rr_1sy8   1    
     67    2   184   1   "Not handling restraint 184, item 1, resonance(s) 'B.3.H8' (nmrStar names),'B.4.TM4B' (nmrStar names) not linked"     rr_1sy8   1    
     68    2   185   1   "Not handling restraint 185, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H2'2' (nmrStar names) not linked"    rr_1sy8   1    
     69    2   186   1   "Not handling restraint 186, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H2'1' (nmrStar names) not linked"    rr_1sy8   1    
     70    2   187   1   "Not handling restraint 187, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.4.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     71    2   188   1   "Not handling restraint 188, item 1, resonance(s) 'B.4.H5'1' (nmrStar names),'B.4.H1'' (nmrStar names) not linked"    rr_1sy8   1    
     72    2   189   1   "Not handling restraint 189, item 1, resonance(s) 'B.4.H2'2' (nmrStar names),'B.4.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     73    2   190   1   "Not handling restraint 190, item 1, resonance(s) 'B.4.H2'1' (nmrStar names),'B.4.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     74    2   191   1   "Not handling restraint 191, item 1, resonance(s) 'B.4.H2'2' (nmrStar names),'B.4.H4'' (nmrStar names) not linked"    rr_1sy8   1    
     75    2   192   1   "Not handling restraint 192, item 1, resonance(s) 'B.4.H2'1' (nmrStar names),'B.4.H4'' (nmrStar names) not linked"    rr_1sy8   1    
     76    2   193   1   "Not handling restraint 193, item 1, resonance(s) 'B.4.H2'2' (nmrStar names),'B.4.H2'1' (nmrStar names) not linked"   rr_1sy8   1    
     77    2   194   1   "Not handling restraint 194, item 1, resonance(s) 'B.4.H4'' (nmrStar names),'B.4.H3'' (nmrStar names) not linked"     rr_1sy8   1    
     78    2   195   1   "Not handling restraint 195, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.TM4B' (nmrStar names) not linked"     rr_1sy8   1    
     79    2   196   1   "Not handling restraint 196, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H1'' (nmrStar names) not linked"      rr_1sy8   1    
     80    2   197   1   "Not handling restraint 197, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H2'2' (nmrStar names) not linked"     rr_1sy8   1    
     81    2   198   1   "Not handling restraint 198, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H2'1' (nmrStar names) not linked"     rr_1sy8   1    
     82    2   199   1   "Not handling restraint 199, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.4.H3'' (nmrStar names) not linked"      rr_1sy8   1    
     83    2   200   1   "Not handling restraint 200, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.5.H5'1' (nmrStar names) not linked"    rr_1sy8   1    
     84    2   201   1   "Not handling restraint 201, item 1, resonance(s) 'B.4.H1'' (nmrStar names),'B.5.H6' (nmrStar names) not linked"      rr_1sy8   1    
     85    2   202   1   "Not handling restraint 202, item 1, resonance(s) 'B.4.H2'1' (nmrStar names),'B.5.H5' (nmrStar names) not linked"     rr_1sy8   1    
     86    2   203   1   "Not handling restraint 203, item 1, resonance(s) 'B.4.H2'2' (nmrStar names),'B.5.H5' (nmrStar names) not linked"     rr_1sy8   1    
     87    2   204   1   "Not handling restraint 204, item 1, resonance(s) 'B.4.H2'2' (nmrStar names),'B.5.H6' (nmrStar names) not linked"     rr_1sy8   1    
     88    2   205   1   "Not handling restraint 205, item 1, resonance(s) 'B.4.H6' (nmrStar names),'B.5.H5' (nmrStar names) not linked"       rr_1sy8   1    
     89    2   206   1   "Not handling restraint 206, item 1, resonance(s) 'B.4.H2'1' (nmrStar names),'B.5.H6' (nmrStar names) not linked"     rr_1sy8   1    
     90    2   207   1   "Not handling restraint 207, item 1, resonance(s) 'B.4.H3'' (nmrStar names),'B.5.H6' (nmrStar names) not linked"      rr_1sy8   1    
     91    2   208   1   "Not handling restraint 208, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H2'2' (nmrStar names) not linked"    rr_1sy8   1    
     92    2   209   1   "Not handling restraint 209, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H2'1' (nmrStar names) not linked"    rr_1sy8   1    
     93    2   210   1   "Not handling restraint 210, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.5.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     94    2   211   1   "Not handling restraint 211, item 1, resonance(s) 'B.5.H2'2' (nmrStar names),'B.5.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     95    2   212   1   "Not handling restraint 212, item 1, resonance(s) 'B.5.H2'1' (nmrStar names),'B.5.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     96    2   213   1   "Not handling restraint 213, item 1, resonance(s) 'B.5.H2'1' (nmrStar names),'B.5.H4'' (nmrStar names) not linked"    rr_1sy8   1    
     97    2   214   1   "Not handling restraint 214, item 1, resonance(s) 'B.5.H2'2' (nmrStar names),'B.5.H2'1' (nmrStar names) not linked"   rr_1sy8   1    
     98    2   215   1   "Not handling restraint 215, item 1, resonance(s) 'B.5.H4'' (nmrStar names),'B.5.H3'' (nmrStar names) not linked"     rr_1sy8   1    
     99    2   216   1   "Not handling restraint 216, item 1, resonance(s) 'B.5.H3'' (nmrStar names),'B.5.H5'2' (nmrStar names) not linked"    rr_1sy8   1    
     100   2   217   1   "Not handling restraint 217, item 1, resonance(s) 'B.5.H5'1' (nmrStar names),'B.5.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     101   2   218   1   "Not handling restraint 218, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H5' (nmrStar names) not linked"       rr_1sy8   1    
     102   2   219   1   "Not handling restraint 219, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H1'' (nmrStar names) not linked"      rr_1sy8   1    
     103   2   220   1   "Not handling restraint 220, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H2'2' (nmrStar names) not linked"     rr_1sy8   1    
     104   2   221   1   "Not handling restraint 221, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H2'1' (nmrStar names) not linked"     rr_1sy8   1    
     105   2   222   1   "Not handling restraint 222, item 1, resonance(s) 'B.5.H6' (nmrStar names),'B.5.H3'' (nmrStar names) not linked"      rr_1sy8   1    
     106   2   223   1   "Not handling restraint 223, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.6.H5'1' (nmrStar names) not linked"    rr_1sy8   1    
     107   2   224   1   "Not handling restraint 224, item 1, resonance(s) 'B.5.H1'' (nmrStar names),'B.6.H8' (nmrStar names) not linked"      rr_1sy8   1    
     108   2   225   1   "Not handling restraint 225, item 1, resonance(s) 'B.5.H2'2' (nmrStar names),'B.6.H8' (nmrStar names) not linked"     rr_1sy8   1    
     109   2   226   1   "Not handling restraint 226, item 1, resonance(s) 'B.5.H2'1' (nmrStar names),'B.6.H8' (nmrStar names) not linked"     rr_1sy8   1    
     110   2   227   1   "Not handling restraint 227, item 1, resonance(s) 'B.6.H2'2' (nmrStar names),'B.6.H1'' (nmrStar names) not linked"    rr_1sy8   1    
     111   2   228   1   "Not handling restraint 228, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H2'1' (nmrStar names) not linked"    rr_1sy8   1    
     112   2   229   1   "Not handling restraint 229, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H3'' (nmrStar names) not linked"     rr_1sy8   1    
     113   2   230   1   "Not handling restraint 230, item 1, resonance(s) 'B.6.H1'' (nmrStar names),'B.6.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     114   2   231   1   "Not handling restraint 231, item 1, resonance(s) 'B.6.H2'2' (nmrStar names),'B.6.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     115   2   232   1   "Not handling restraint 232, item 1, resonance(s) 'B.6.H2'1' (nmrStar names),'B.6.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     116   2   233   1   "Not handling restraint 233, item 1, resonance(s) 'B.6.H2'1' (nmrStar names),'B.6.H4'' (nmrStar names) not linked"    rr_1sy8   1    
     117   2   234   1   "Not handling restraint 234, item 1, resonance(s) 'B.6.H2'2' (nmrStar names),'B.6.H2'1' (nmrStar names) not linked"   rr_1sy8   1    
     118   2   235   1   "Not handling restraint 235, item 1, resonance(s) 'B.6.H3'' (nmrStar names),'B.6.H4'' (nmrStar names) not linked"     rr_1sy8   1    
     119   2   236   1   "Not handling restraint 236, item 1, resonance(s) 'B.6.H3'' (nmrStar names),'B.6.H5'2' (nmrStar names) not linked"    rr_1sy8   1    
     120   2   237   1   "Not handling restraint 237, item 1, resonance(s) 'B.6.H5'1' (nmrStar names),'B.6.H3'' (nmrStar names) not linked"    rr_1sy8   1    
     121   2   238   1   "Not handling restraint 238, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H1'' (nmrStar names) not linked"      rr_1sy8   1    
     122   2   239   1   "Not handling restraint 239, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H2'2' (nmrStar names) not linked"     rr_1sy8   1    
     123   2   240   1   "Not handling restraint 240, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H2'1' (nmrStar names) not linked"     rr_1sy8   1    
     124   2   241   1   "Not handling restraint 241, item 1, resonance(s) 'B.6.H8' (nmrStar names),'B.6.H3'' (nmrStar names) not linked"      rr_1sy8   1    
     125   2   242   1   "Not handling restraint 242, item 1, resonance(s) 'B.6.H5'1' (nmrStar names),'B.6.H8' (nmrStar names) not linked"     rr_1sy8   1    

   stop_

save_

save_Discover_distance_constraints_3
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        Discover_distance_constraints_3
   _Gen_dist_constraint_list.Entry_ID            rr_1sy8
   _Gen_dist_constraint_list.ID                  2
   _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            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_1sy8   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   
;
HYDROGEN BONDS
distance
;
1   1   2   10   rr_1sy8   2    

   stop_

   loop_
      _Gen_dist_constraint_parse_err.ID
      _Gen_dist_constraint_parse_err.Content
      _Gen_dist_constraint_parse_err.Begin_line
      _Gen_dist_constraint_parse_err.Begin_column
      _Gen_dist_constraint_parse_err.End_line
      _Gen_dist_constraint_parse_err.End_column
      _Gen_dist_constraint_parse_err.Entry_ID
      _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID

     1    '1:T_1B:O4 1:A_6:N6 2.810 40.00 50.00 1000.000'   3    1   3    45   rr_1sy8   2    
     2    '1:T_1B:N3 1:A_6:N1 2.950 40.00 50.00 1000.000'   4    1   4    45   rr_1sy8   2    
     3    '1:G_2B:O6 1:C_5:N4 2.700 40.00 50.00 1000.000'   5    1   5    45   rr_1sy8   2    
     4    '1:G_2B:N1 1:C_5:N3 2.910 40.00 50.00 1000.000'   6    1   6    45   rr_1sy8   2    
     5    '1:G_2B:N2 1:C_5:O2 3.010 40.00 50.00 1000.000'   7    1   7    45   rr_1sy8   2    
     6    '1:A_3B:N6 1:T_4:O4 2.810 40.00 50.00 1000.000'   8    1   8    45   rr_1sy8   2    
     7    '1:A_3B:N1 1:T_4:N3 2.950 40.00 50.00 1000.000'   9    1   9    45   rr_1sy8   2    
     8    '1:T_4B:O4 1:A_3:N6 2.810 40.00 50.00 1000.000'   10   1   10   45   rr_1sy8   2    
     9    '1:T_4B:N3 1:A_3:N1 2.950 40.00 50.00 1000.000'   11   1   11   45   rr_1sy8   2    
     10   '1:C_5B:N4 1:G_2:O6 2.700 40.00 50.00 1000.000'   12   1   12   45   rr_1sy8   2    
     11   '1:C_5B:N3 1:G_2:N1 2.910 40.00 50.00 1000.000'   13   1   13   45   rr_1sy8   2    
     12   '1:C_5B:O2 1:G_2:N2 3.010 40.00 50.00 1000.000'   14   1   14   45   rr_1sy8   2    
     13   '1:A_6B:N6 1:T_1:O4 2.810 40.00 50.00 1000.000'   15   1   15   45   rr_1sy8   2    

   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_1sy8
   _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 01-APR-04 1SY8 *TITLE STRUCTURE OF DNA SEQUENCE D-TGATCA BY TWO-DIMENSIONAL *TITLE 2 NUCLEAR MAGNETIC RESONANCE SPEC AND RESTRAINED MOLECULAR *TITLE 3 DYNAMICS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 5'-D(P*TP*GP*AP*TP*CP*A)-3'; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS TPG/CPA BASEPAIR STEP, 2D-NMR OF D-TGATCA, RESTRAINED *KEYWDS 2 MOLECULAR DYNAMICS, SEQUENCE RELATED CONFORMATION, DNA *KEYWDS 3 FLEXIBILITY *EXPDTA NMR, 10 STRUCTURES *AUTHOR R.BARTHWAL, P.AWASTHI, M.NARANG, U.SHARMA, N.SRIVASTAVA *REVDAT 1 04-JAN-05 1SY8 0"

save_
