data_wwPDB_remediated_restraints_file_for_PDB_entry_5ki0

# This wwPDB archive file contains, for PDB entry 5ki0:
#
# - 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_5ki0
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 5ki0'
   _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 5ki0'
   _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   5ki0   'Master copy'   rr_5ki0    

   stop_

save_

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

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_5ki0
   _Assembly.ID                    1
   _Assembly.Name                  5ki0
   _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        1768.9826

   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   'Antimicrobial peptide KAMP 19'   1   $Antimicrobial_peptide_KAMP_19   A   .   no   .   .   .   .   .   .   rr_5ki0   1    

   stop_

save_

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

save_Antimicrobial_peptide_KAMP_19
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     Antimicrobial_peptide_KAMP_19
   _Entity.Entry_ID                         rr_5ki0
   _Entity.ID                               1
   _Entity.Name                             Antimicrobial_peptide_KAMP_19
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polypeptide(L)
   _Entity.Polymer_strand_ID                A
   _Entity.Polymer_seq_one_letter_code      RAIGGGLSSVGGGSSTIKY
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     no
   _Entity.Nstd_chirality                   no
   _Entity.Nstd_linkage                     no
   _Entity.Number_of_monomers               19
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   1768.9826

   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    .   ARG   .   rr_5ki0   1    
     2    .   ALA   .   rr_5ki0   1    
     3    .   ILE   .   rr_5ki0   1    
     4    .   GLY   .   rr_5ki0   1    
     5    .   GLY   .   rr_5ki0   1    
     6    .   GLY   .   rr_5ki0   1    
     7    .   LEU   .   rr_5ki0   1    
     8    .   SER   .   rr_5ki0   1    
     9    .   SER   .   rr_5ki0   1    
     10   .   VAL   .   rr_5ki0   1    
     11   .   GLY   .   rr_5ki0   1    
     12   .   GLY   .   rr_5ki0   1    
     13   .   GLY   .   rr_5ki0   1    
     14   .   SER   .   rr_5ki0   1    
     15   .   SER   .   rr_5ki0   1    
     16   .   THR   .   rr_5ki0   1    
     17   .   ILE   .   rr_5ki0   1    
     18   .   LYS   .   rr_5ki0   1    
     19   .   TYR   .   rr_5ki0   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

     .   ARG   1    1    rr_5ki0   1    
     .   ALA   2    2    rr_5ki0   1    
     .   ILE   3    3    rr_5ki0   1    
     .   GLY   4    4    rr_5ki0   1    
     .   GLY   5    5    rr_5ki0   1    
     .   GLY   6    6    rr_5ki0   1    
     .   LEU   7    7    rr_5ki0   1    
     .   SER   8    8    rr_5ki0   1    
     .   SER   9    9    rr_5ki0   1    
     .   VAL   10   10   rr_5ki0   1    
     .   GLY   11   11   rr_5ki0   1    
     .   GLY   12   12   rr_5ki0   1    
     .   GLY   13   13   rr_5ki0   1    
     .   SER   14   14   rr_5ki0   1    
     .   SER   15   15   rr_5ki0   1    
     .   THR   16   16   rr_5ki0   1    
     .   ILE   17   17   rr_5ki0   1    
     .   LYS   18   18   rr_5ki0   1    
     .   TYR   19   19   rr_5ki0   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_5ki0
   _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_5ki0
   _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   5ki0.mr   .   .   'MR format'   1   comment                  'Not applicable'   'Not applicable'   0     rr_5ki0   1    
     1   5ki0.mr   .   .   XPLOR/CNS     2   'dihedral angle'         'Not applicable'   'Not applicable'   18    rr_5ki0   1    
     1   5ki0.mr   .   .   XPLOR/CNS     3   distance                 NOE                simple             130   rr_5ki0   1    
     1   5ki0.mr   .   .   'MR format'   4   'nomenclature mapping'   'Not applicable'   'Not applicable'   0     rr_5ki0   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_5ki0
   _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            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_5ki0   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   OR   .   1   1   1    1    ARG   HE     H   .   .   .   1   1   1    1    ARG   HB2    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   1    ARG   HE     .   .   A   .   1    ARG   HB2    .   .   .   1    .   HE     .   .   .   .   .   1    .   HB#    .   .   rr_5ki0   1    
     1     2   OR   .   1   1   1    1    ARG   HE     H   .   .   .   1   1   1    1    ARG   HB3    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   1    ARG   HE     .   .   A   .   1    ARG   HB3    .   .   .   1    .   HE     .   .   .   .   .   1    .   HB#    .   .   rr_5ki0   1    
     2     1   OR   .   1   1   1    1    ARG   HA     H   .   .   .   1   1   1    1    ARG   HG2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   1    ARG   HA     .   .   A   .   1    ARG   HG2    .   .   .   1    .   HA     .   .   .   .   .   1    .   HG#    .   .   rr_5ki0   1    
     2     2   OR   .   1   1   1    1    ARG   HG3    H   .   .   .   1   1   1    1    ARG   HA     H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   1    ARG   HG3    .   .   A   .   1    ARG   HA     .   .   .   1    .   HG#    .   .   .   .   .   1    .   HA     .   .   rr_5ki0   1    
     3     1   OR   .   1   1   1    1    ARG   HE     H   .   .   .   1   1   1    1    ARG   HG2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   1    ARG   HE     .   .   A   .   1    ARG   HG2    .   .   .   1    .   HE     .   .   .   .   .   1    .   HG#    .   .   rr_5ki0   1    
     3     2   OR   .   1   1   1    1    ARG   HE     H   .   .   .   1   1   1    1    ARG   HG3    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   1    ARG   HE     .   .   A   .   1    ARG   HG3    .   .   .   1    .   HE     .   .   .   .   .   1    .   HG#    .   .   rr_5ki0   1    
     4     1   .    .   1   1   1    1    ARG   HA     H   .   .   .   1   1   2    2    ALA   MB     H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   1    ARG   HA     .   .   A   .   2    ALA   MB     .   .   .   1    .   HA     .   .   .   .   .   2    .   HB#    .   .   rr_5ki0   1    
     5     1   OR   .   1   1   2    2    ALA   H      H   .   .   .   1   1   1    1    ARG   HB2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   2    ALA   H      .   .   A   .   1    ARG   HB2    .   .   .   2    .   HN     .   .   .   .   .   1    .   HB#    .   .   rr_5ki0   1    
     5     2   OR   .   1   1   1    1    ARG   HB3    H   .   .   .   1   1   2    2    ALA   H      H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   1    ARG   HB3    .   .   A   .   2    ALA   H      .   .   .   1    .   HB#    .   .   .   .   .   2    .   HN     .   .   rr_5ki0   1    
     6     1   .    .   1   1   1    1    ARG   HA     H   .   .   .   1   1   2    2    ALA   H      H   .   .   .   .   .   2.5   1.8   2.9   .   .   .   .   .   A   .   1    ARG   HA     .   .   A   .   2    ALA   H      .   .   .   1    .   HA     .   .   .   .   .   2    .   HN     .   .   rr_5ki0   1    
     7     1   .    .   1   1   1    1    ARG   HA     H   .   .   .   1   1   3    3    ILE   H      H   .   .   .   .   .   4.0   1.8   6.0   .   .   .   .   .   A   .   1    ARG   HA     .   .   A   .   3    ILE   H      .   .   .   1    .   HA     .   .   .   .   .   3    .   HN     .   .   rr_5ki0   1    
     8     1   OR   .   1   1   3    3    ILE   H      H   .   .   .   1   1   1    1    ARG   HB2    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   3    ILE   H      .   .   A   .   1    ARG   HB2    .   .   .   3    .   HN     .   .   .   .   .   1    .   HB#    .   .   rr_5ki0   1    
     8     2   OR   .   1   1   1    1    ARG   HB3    H   .   .   .   1   1   3    3    ILE   H      H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   1    ARG   HB3    .   .   A   .   3    ILE   H      .   .   .   1    .   HB#    .   .   .   .   .   3    .   HN     .   .   rr_5ki0   1    
     9     1   OR   .   1   1   3    3    ILE   H      H   .   .   .   1   1   1    1    ARG   HG2    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   3    ILE   H      .   .   A   .   1    ARG   HG2    .   .   .   3    .   HN     .   .   .   .   .   1    .   HG#    .   .   rr_5ki0   1    
     9     2   OR   .   1   1   1    1    ARG   HG3    H   .   .   .   1   1   3    3    ILE   H      H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   1    ARG   HG3    .   .   A   .   3    ILE   H      .   .   .   1    .   HG#    .   .   .   .   .   3    .   HN     .   .   rr_5ki0   1    
     10    1   OR   .   1   1   2    2    ALA   H      H   .   .   .   1   1   1    1    ARG   HD2    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   2    ALA   H      .   .   A   .   1    ARG   HD2    .   .   .   2    .   HN     .   .   .   .   .   1    .   HD#    .   .   rr_5ki0   1    
     10    2   OR   .   1   1   2    2    ALA   H      H   .   .   .   1   1   1    1    ARG   HD3    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   2    ALA   H      .   .   A   .   1    ARG   HD3    .   .   .   2    .   HN     .   .   .   .   .   1    .   HD#    .   .   rr_5ki0   1    
     11    1   .    .   1   1   2    2    ALA   MB     H   .   .   .   1   1   2    2    ALA   H      H   .   .   .   .   .   2.5   1.8   3.4   .   .   .   .   .   A   .   2    ALA   MB     .   .   A   .   2    ALA   H      .   .   .   2    .   HB#    .   .   .   .   .   2    .   HN     .   .   rr_5ki0   1    
     12    1   .    .   1   1   2    2    ALA   H      H   .   .   .   1   1   3    3    ILE   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   2    ALA   H      .   .   A   .   3    ILE   H      .   .   .   2    .   HN     .   .   .   .   .   3    .   HN     .   .   rr_5ki0   1    
     13    1   .    .   1   1   2    2    ALA   MB     H   .   .   .   1   1   3    3    ILE   H      H   .   .   .   .   .   3.0   1.8   4.0   .   .   .   .   .   A   .   2    ALA   MB     .   .   A   .   3    ILE   H      .   .   .   2    .   HB#    .   .   .   .   .   3    .   HN     .   .   rr_5ki0   1    
     14    1   .    .   1   1   2    2    ALA   MB     H   .   .   .   1   1   3    3    ILE   HA     H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   2    ALA   MB     .   .   A   .   3    ILE   HA     .   .   .   2    .   HB#    .   .   .   .   .   3    .   HA     .   .   rr_5ki0   1    
     15    1   .    .   1   1   3    3    ILE   H      H   .   .   .   1   1   2    2    ALA   HA     H   .   .   .   .   .   2.5   1.8   2.9   .   .   .   .   .   A   .   3    ILE   H      .   .   A   .   2    ALA   HA     .   .   .   3    .   HN     .   .   .   .   .   2    .   HA     .   .   rr_5ki0   1    
     16    1   OR   .   1   1   2    2    ALA   H      H   .   .   .   1   1   1    1    ARG   HG2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   2    ALA   H      .   .   A   .   1    ARG   HG2    .   .   .   2    .   HN     .   .   .   .   .   1    .   HG#    .   .   rr_5ki0   1    
     16    2   OR   .   1   1   1    1    ARG   HG3    H   .   .   .   1   1   2    2    ALA   H      H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   1    ARG   HG3    .   .   A   .   2    ALA   H      .   .   .   1    .   HG#    .   .   .   .   .   2    .   HN     .   .   rr_5ki0   1    
     17    1   .    .   1   1   2    2    ALA   H      H   .   .   .   1   1   3    3    ILE   MG     H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   2    ALA   H      .   .   A   .   3    ILE   MG     .   .   .   2    .   HN     .   .   .   .   .   3    .   HG2#   .   .   rr_5ki0   1    
     18    1   .    .   1   1   2    2    ALA   HA     H   .   .   .   1   1   3    3    ILE   MG     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   2    ALA   HA     .   .   A   .   3    ILE   MG     .   .   .   2    .   HA     .   .   .   .   .   3    .   HG2#   .   .   rr_5ki0   1    
     19    1   .    .   1   1   2    2    ALA   HA     H   .   .   .   1   1   3    3    ILE   HB     H   .   .   .   .   .   4.0   1.8   6.0   .   .   .   .   .   A   .   2    ALA   HA     .   .   A   .   3    ILE   HB     .   .   .   2    .   HA     .   .   .   .   .   3    .   HB     .   .   rr_5ki0   1    
     20    1   .    .   1   1   2    2    ALA   H      H   .   .   .   1   1   3    3    ILE   HA     H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   2    ALA   H      .   .   A   .   3    ILE   HA     .   .   .   2    .   HN     .   .   .   .   .   3    .   HA     .   .   rr_5ki0   1    
     21    1   .    .   1   1   2    2    ALA   MB     H   .   .   .   1   1   4    4    GLY   H      H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   2    ALA   MB     .   .   A   .   4    GLY   H      .   .   .   2    .   HB#    .   .   .   .   .   4    .   HN     .   .   rr_5ki0   1    
     22    1   OR   .   1   1   2    2    ALA   MB     H   .   .   .   1   1   5    5    GLY   HA2    H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   2    ALA   MB     .   .   A   .   5    GLY   HA2    .   .   .   2    .   HB#    .   .   .   .   .   5    .   HA     .   .   rr_5ki0   1    
     22    2   OR   .   1   1   2    2    ALA   MB     H   .   .   .   1   1   5    5    GLY   HA3    H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   2    ALA   MB     .   .   A   .   5    GLY   HA3    .   .   .   2    .   HB#    .   .   .   .   .   5    .   HA     .   .   rr_5ki0   1    
     23    1   .    .   1   1   3    3    ILE   HA     H   .   .   .   1   1   3    3    ILE   MD     H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   3    ILE   HA     .   .   A   .   3    ILE   MD     .   .   .   3    .   HA     .   .   .   .   .   3    .   HD1#   .   .   rr_5ki0   1    
     24    1   OR   .   1   1   3    3    ILE   H      H   .   .   .   1   1   3    3    ILE   HG12   H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   3    ILE   H      .   .   A   .   3    ILE   HG12   .   .   .   3    .   HN     .   .   .   .   .   3    .   HG1#   .   .   rr_5ki0   1    
     24    2   OR   .   1   1   3    3    ILE   H      H   .   .   .   1   1   3    3    ILE   HG13   H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   3    ILE   H      .   .   A   .   3    ILE   HG13   .   .   .   3    .   HN     .   .   .   .   .   3    .   HG1#   .   .   rr_5ki0   1    
     25    1   .    .   1   1   3    3    ILE   HA     H   .   .   .   1   1   3    3    ILE   MG     H   .   .   .   .   .   3.0   1.8   3.8   .   .   .   .   .   A   .   3    ILE   HA     .   .   A   .   3    ILE   MG     .   .   .   3    .   HA     .   .   .   .   .   3    .   HG2#   .   .   rr_5ki0   1    
     26    1   .    .   1   1   3    3    ILE   H      H   .   .   .   1   1   3    3    ILE   HB     H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   3    ILE   H      .   .   A   .   3    ILE   HB     .   .   .   3    .   HN     .   .   .   .   .   3    .   HB     .   .   rr_5ki0   1    
     27    1   .    .   1   1   3    3    ILE   H      H   .   .   .   1   1   4    4    GLY   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   3    ILE   H      .   .   A   .   4    GLY   H      .   .   .   3    .   HN     .   .   .   .   .   4    .   HN     .   .   rr_5ki0   1    
     28    1   .    .   1   1   3    3    ILE   HB     H   .   .   .   1   1   4    4    GLY   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   3    ILE   HB     .   .   A   .   4    GLY   H      .   .   .   3    .   HB     .   .   .   .   .   4    .   HN     .   .   rr_5ki0   1    
     29    1   .    .   1   1   3    3    ILE   MG     H   .   .   .   1   1   4    4    GLY   H      H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   3    ILE   MG     .   .   A   .   4    GLY   H      .   .   .   3    .   HG2#   .   .   .   .   .   4    .   HN     .   .   rr_5ki0   1    
     30    1   OR   .   1   1   4    4    GLY   H      H   .   .   .   1   1   3    3    ILE   HG12   H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   4    GLY   H      .   .   A   .   3    ILE   HG12   .   .   .   4    .   HN     .   .   .   .   .   3    .   HG1#   .   .   rr_5ki0   1    
     30    2   OR   .   1   1   4    4    GLY   H      H   .   .   .   1   1   3    3    ILE   HG13   H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   4    GLY   H      .   .   A   .   3    ILE   HG13   .   .   .   4    .   HN     .   .   .   .   .   3    .   HG1#   .   .   rr_5ki0   1    
     31    1   OR   .   1   1   3    3    ILE   MG     H   .   .   .   1   1   4    4    GLY   HA3    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   3    ILE   MG     .   .   A   .   4    GLY   HA3    .   .   .   3    .   HG2#   .   .   .   .   .   4    .   HA     .   .   rr_5ki0   1    
     31    2   OR   .   1   1   3    3    ILE   MG     H   .   .   .   1   1   4    4    GLY   HA2    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   3    ILE   MG     .   .   A   .   4    GLY   HA2    .   .   .   3    .   HG2#   .   .   .   .   .   4    .   HA     .   .   rr_5ki0   1    
     32    1   .    .   1   1   3    3    ILE   HA     H   .   .   .   1   1   4    4    GLY   H      H   .   .   .   .   .   2.5   1.8   2.9   .   .   .   .   .   A   .   3    ILE   HA     .   .   A   .   4    GLY   H      .   .   .   3    .   HA     .   .   .   .   .   4    .   HN     .   .   rr_5ki0   1    
     33    1   .    .   1   1   3    3    ILE   MG     H   .   .   .   1   1   5    5    GLY   H      H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   3    ILE   MG     .   .   A   .   5    GLY   H      .   .   .   3    .   HG2#   .   .   .   .   .   5    .   HN     .   .   rr_5ki0   1    
     34    1   OR   .   1   1   3    3    ILE   MG     H   .   .   .   1   1   5    5    GLY   HA2    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   3    ILE   MG     .   .   A   .   5    GLY   HA2    .   .   .   3    .   HG2#   .   .   .   .   .   5    .   HA     .   .   rr_5ki0   1    
     34    2   OR   .   1   1   3    3    ILE   MG     H   .   .   .   1   1   5    5    GLY   HA3    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   3    ILE   MG     .   .   A   .   5    GLY   HA3    .   .   .   3    .   HG2#   .   .   .   .   .   5    .   HA     .   .   rr_5ki0   1    
     35    1   .    .   1   1   5    5    GLY   H      H   .   .   .   1   1   4    4    GLY   HA3    H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   5    GLY   H      .   .   A   .   4    GLY   HA3    .   .   .   5    .   HN     .   .   .   .   .   4    .   HA1    .   .   rr_5ki0   1    
     36    1   .    .   1   1   5    5    GLY   H      H   .   .   .   1   1   6    6    GLY   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   5    GLY   H      .   .   A   .   6    GLY   H      .   .   .   5    .   HN     .   .   .   .   .   6    .   HN     .   .   rr_5ki0   1    
     37    1   .    .   1   1   6    6    GLY   H      H   .   .   .   1   1   7    7    LEU   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   6    GLY   H      .   .   A   .   7    LEU   H      .   .   .   6    .   HN     .   .   .   .   .   7    .   HN     .   .   rr_5ki0   1    
     38    1   OR   .   1   1   7    7    LEU   H      H   .   .   .   1   1   6    6    GLY   HA2    H   .   .   .   .   .   2.5   1.8   3.4   .   .   .   .   .   A   .   7    LEU   H      .   .   A   .   6    GLY   HA2    .   .   .   7    .   HN     .   .   .   .   .   6    .   HA#    .   .   rr_5ki0   1    
     38    2   OR   .   1   1   7    7    LEU   H      H   .   .   .   1   1   6    6    GLY   HA3    H   .   .   .   .   .   2.5   1.8   3.4   .   .   .   .   .   A   .   7    LEU   H      .   .   A   .   6    GLY   HA3    .   .   .   7    .   HN     .   .   .   .   .   6    .   HA#    .   .   rr_5ki0   1    
     39    1   OR   .   1   1   6    6    GLY   H      H   .   .   .   1   1   7    7    LEU   HB2    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   6    GLY   H      .   .   A   .   7    LEU   HB2    .   .   .   6    .   HN     .   .   .   .   .   7    .   HB#    .   .   rr_5ki0   1    
     39    2   OR   .   1   1   6    6    GLY   H      H   .   .   .   1   1   7    7    LEU   HB3    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   6    GLY   H      .   .   A   .   7    LEU   HB3    .   .   .   6    .   HN     .   .   .   .   .   7    .   HB#    .   .   rr_5ki0   1    
     40    1   .    .   1   1   6    6    GLY   H      H   .   .   .   1   1   7    7    LEU   HA     H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   6    GLY   H      .   .   A   .   7    LEU   HA     .   .   .   6    .   HN     .   .   .   .   .   7    .   HA     .   .   rr_5ki0   1    
     41    1   .    .   1   1   7    7    LEU   H      H   .   .   .   1   1   7    7    LEU   MD1    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   7    LEU   H      .   .   A   .   7    LEU   MD1    .   .   .   7    .   HN     .   .   .   .   .   7    .   HD1#   .   .   rr_5ki0   1    
     42    1   .    .   1   1   7    7    LEU   H      H   .   .   .   1   1   7    7    LEU   MD2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   7    LEU   H      .   .   A   .   7    LEU   MD2    .   .   .   7    .   HN     .   .   .   .   .   7    .   HD2#   .   .   rr_5ki0   1    
     43    1   .    .   1   1   7    7    LEU   HA     H   .   .   .   1   1   7    7    LEU   MD1    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   7    LEU   HA     .   .   A   .   7    LEU   MD1    .   .   .   7    .   HA     .   .   .   .   .   7    .   HD1#   .   .   rr_5ki0   1    
     44    1   .    .   1   1   7    7    LEU   HA     H   .   .   .   1   1   7    7    LEU   MD2    H   .   .   .   .   .   2.5   1.8   3.2   .   .   .   .   .   A   .   7    LEU   HA     .   .   A   .   7    LEU   MD2    .   .   .   7    .   HA     .   .   .   .   .   7    .   HD2#   .   .   rr_5ki0   1    
     45    1   .    .   1   1   7    7    LEU   MD2    H   .   .   .   1   1   8    8    SER   HA     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   7    LEU   MD2    .   .   A   .   8    SER   HA     .   .   .   7    .   HD2#   .   .   .   .   .   8    .   HA     .   .   rr_5ki0   1    
     46    1   .    .   1   1   7    7    LEU   HA     H   .   .   .   1   1   8    8    SER   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   7    LEU   HA     .   .   A   .   8    SER   H      .   .   .   7    .   HA     .   .   .   .   .   8    .   HN     .   .   rr_5ki0   1    
     47    1   .    .   1   1   7    7    LEU   HA     H   .   .   .   1   1   10   10   VAL   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   7    LEU   HA     .   .   A   .   10   VAL   H      .   .   .   7    .   HA     .   .   .   .   .   10   .   HN     .   .   rr_5ki0   1    
     48    1   .    .   1   1   7    7    LEU   HA     H   .   .   .   1   1   10   10   VAL   HB     H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   7    LEU   HA     .   .   A   .   10   VAL   HB     .   .   .   7    .   HA     .   .   .   .   .   10   .   HB     .   .   rr_5ki0   1    
     49    1   .    .   1   1   7    7    LEU   HA     H   .   .   .   1   1   10   10   VAL   MG1    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   7    LEU   HA     .   .   A   .   10   VAL   MG1    .   .   .   7    .   HA     .   .   .   .   .   10   .   HG1#   .   .   rr_5ki0   1    
     50    1   .    .   1   1   8    8    SER   H      H   .   .   .   1   1   8    8    SER   HB2    H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   8    SER   H      .   .   A   .   8    SER   HB2    .   .   .   8    .   HN     .   .   .   .   .   8    .   HB2    .   .   rr_5ki0   1    
     51    1   .    .   1   1   8    8    SER   H      H   .   .   .   1   1   9    9    SER   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   8    SER   H      .   .   A   .   9    SER   H      .   .   .   8    .   HN     .   .   .   .   .   9    .   HN     .   .   rr_5ki0   1    
     52    1   .    .   1   1   8    8    SER   H      H   .   .   .   1   1   10   10   VAL   H      H   .   .   .   .   .   4.0   1.8   6.0   .   .   .   .   .   A   .   8    SER   H      .   .   A   .   10   VAL   H      .   .   .   8    .   HN     .   .   .   .   .   10   .   HN     .   .   rr_5ki0   1    
     53    1   .    .   1   1   8    8    SER   HA     H   .   .   .   1   1   10   10   VAL   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   8    SER   HA     .   .   A   .   10   VAL   H      .   .   .   8    .   HA     .   .   .   .   .   10   .   HN     .   .   rr_5ki0   1    
     54    1   .    .   1   1   8    8    SER   HA     H   .   .   .   1   1   10   10   VAL   MG1    H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   8    SER   HA     .   .   A   .   10   VAL   MG1    .   .   .   8    .   HA     .   .   .   .   .   10   .   HG1#   .   .   rr_5ki0   1    
     55    1   .    .   1   1   8    8    SER   HA     H   .   .   .   1   1   10   10   VAL   MG2    H   .   .   .   .   .   4.0   1.8   7.0   .   .   .   .   .   A   .   8    SER   HA     .   .   A   .   10   VAL   MG2    .   .   .   8    .   HA     .   .   .   .   .   10   .   HG2#   .   .   rr_5ki0   1    
     56    1   OR   .   1   1   9    9    SER   H      H   .   .   .   1   1   9    9    SER   HB2    H   .   .   .   .   .   3.0   1.8   4.0   .   .   .   .   .   A   .   9    SER   H      .   .   A   .   9    SER   HB2    .   .   .   9    .   HN     .   .   .   .   .   9    .   HB#    .   .   rr_5ki0   1    
     56    2   OR   .   1   1   9    9    SER   H      H   .   .   .   1   1   9    9    SER   HB3    H   .   .   .   .   .   3.0   1.8   4.0   .   .   .   .   .   A   .   9    SER   H      .   .   A   .   9    SER   HB3    .   .   .   9    .   HN     .   .   .   .   .   9    .   HB#    .   .   rr_5ki0   1    
     57    1   .    .   1   1   10   10   VAL   MG1    H   .   .   .   1   1   9    9    SER   H      H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   10   VAL   MG1    .   .   A   .   9    SER   H      .   .   .   10   .   HG1#   .   .   .   .   .   9    .   HN     .   .   rr_5ki0   1    
     58    1   .    .   1   1   9    9    SER   H      H   .   .   .   1   1   10   10   VAL   MG2    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   9    SER   H      .   .   A   .   10   VAL   MG2    .   .   .   9    .   HN     .   .   .   .   .   10   .   HG2#   .   .   rr_5ki0   1    
     59    1   OR   .   1   1   10   10   VAL   H      H   .   .   .   1   1   9    9    SER   HB2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   10   VAL   H      .   .   A   .   9    SER   HB2    .   .   .   10   .   HN     .   .   .   .   .   9    .   HB#    .   .   rr_5ki0   1    
     59    2   OR   .   1   1   10   10   VAL   H      H   .   .   .   1   1   9    9    SER   HB3    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   10   VAL   H      .   .   A   .   9    SER   HB3    .   .   .   10   .   HN     .   .   .   .   .   9    .   HB#    .   .   rr_5ki0   1    
     60    1   OR   .   1   1   10   10   VAL   MG1    H   .   .   .   1   1   9    9    SER   HB2    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   10   VAL   MG1    .   .   A   .   9    SER   HB2    .   .   .   10   .   HG1#   .   .   .   .   .   9    .   HB#    .   .   rr_5ki0   1    
     60    2   OR   .   1   1   10   10   VAL   MG1    H   .   .   .   1   1   9    9    SER   HB3    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   10   VAL   MG1    .   .   A   .   9    SER   HB3    .   .   .   10   .   HG1#   .   .   .   .   .   9    .   HB#    .   .   rr_5ki0   1    
     61    1   OR   .   1   1   10   10   VAL   MG2    H   .   .   .   1   1   9    9    SER   HB2    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   10   VAL   MG2    .   .   A   .   9    SER   HB2    .   .   .   10   .   HG2#   .   .   .   .   .   9    .   HB#    .   .   rr_5ki0   1    
     61    2   OR   .   1   1   10   10   VAL   MG2    H   .   .   .   1   1   9    9    SER   HB3    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   10   VAL   MG2    .   .   A   .   9    SER   HB3    .   .   .   10   .   HG2#   .   .   .   .   .   9    .   HB#    .   .   rr_5ki0   1    
     62    1   .    .   1   1   10   10   VAL   H      H   .   .   .   1   1   9    9    SER   HA     H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   10   VAL   H      .   .   A   .   9    SER   HA     .   .   .   10   .   HN     .   .   .   .   .   9    .   HA     .   .   rr_5ki0   1    
     63    1   .    .   1   1   10   10   VAL   H      H   .   .   .   1   1   9    9    SER   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   10   VAL   H      .   .   A   .   9    SER   H      .   .   .   10   .   HN     .   .   .   .   .   9    .   HN     .   .   rr_5ki0   1    
     64    1   .    .   1   1   10   10   VAL   MG1    H   .   .   .   1   1   9    9    SER   HA     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   10   VAL   MG1    .   .   A   .   9    SER   HA     .   .   .   10   .   HG1#   .   .   .   .   .   9    .   HA     .   .   rr_5ki0   1    
     65    1   .    .   1   1   10   10   VAL   MG2    H   .   .   .   1   1   9    9    SER   HA     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   10   VAL   MG2    .   .   A   .   9    SER   HA     .   .   .   10   .   HG2#   .   .   .   .   .   9    .   HA     .   .   rr_5ki0   1    
     66    1   .    .   1   1   10   10   VAL   H      H   .   .   .   1   1   10   10   VAL   MG2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   10   VAL   H      .   .   A   .   10   VAL   MG2    .   .   .   10   .   HN     .   .   .   .   .   10   .   HG2#   .   .   rr_5ki0   1    
     67    1   .    .   1   1   10   10   VAL   H      H   .   .   .   1   1   10   10   VAL   HB     H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   10   VAL   H      .   .   A   .   10   VAL   HB     .   .   .   10   .   HN     .   .   .   .   .   10   .   HB     .   .   rr_5ki0   1    
     68    1   .    .   1   1   10   10   VAL   MG1    H   .   .   .   1   1   10   10   VAL   HA     H   .   .   .   .   .   3.0   1.8   3.8   .   .   .   .   .   A   .   10   VAL   MG1    .   .   A   .   10   VAL   HA     .   .   .   10   .   HG1#   .   .   .   .   .   10   .   HA     .   .   rr_5ki0   1    
     69    1   .    .   1   1   10   10   VAL   MG2    H   .   .   .   1   1   10   10   VAL   HA     H   .   .   .   .   .   3.0   1.8   3.8   .   .   .   .   .   A   .   10   VAL   MG2    .   .   A   .   10   VAL   HA     .   .   .   10   .   HG2#   .   .   .   .   .   10   .   HA     .   .   rr_5ki0   1    
     70    1   .    .   1   1   10   10   VAL   H      H   .   .   .   1   1   10   10   VAL   MG1    H   .   .   .   .   .   2.5   1.8   3.4   .   .   .   .   .   A   .   10   VAL   H      .   .   A   .   10   VAL   MG1    .   .   .   10   .   HN     .   .   .   .   .   10   .   HG1#   .   .   rr_5ki0   1    
     71    1   .    .   1   1   10   10   VAL   MG1    H   .   .   .   1   1   11   11   GLY   H      H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   10   VAL   MG1    .   .   A   .   11   GLY   H      .   .   .   10   .   HG1#   .   .   .   .   .   11   .   HN     .   .   rr_5ki0   1    
     72    1   .    .   1   1   10   10   VAL   HB     H   .   .   .   1   1   11   11   GLY   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   10   VAL   HB     .   .   A   .   11   GLY   H      .   .   .   10   .   HB     .   .   .   .   .   11   .   HN     .   .   rr_5ki0   1    
     73    1   .    .   1   1   10   10   VAL   H      H   .   .   .   1   1   11   11   GLY   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   10   VAL   H      .   .   A   .   11   GLY   H      .   .   .   10   .   HN     .   .   .   .   .   11   .   HN     .   .   rr_5ki0   1    
     74    1   .    .   1   1   10   10   VAL   MG2    H   .   .   .   1   1   11   11   GLY   H      H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   10   VAL   MG2    .   .   A   .   11   GLY   H      .   .   .   10   .   HG2#   .   .   .   .   .   11   .   HN     .   .   rr_5ki0   1    
     75    1   .    .   1   1   10   10   VAL   HA     H   .   .   .   1   1   11   11   GLY   H      H   .   .   .   .   .   2.5   1.8   2.9   .   .   .   .   .   A   .   10   VAL   HA     .   .   A   .   11   GLY   H      .   .   .   10   .   HA     .   .   .   .   .   11   .   HN     .   .   rr_5ki0   1    
     76    1   .    .   1   1   10   10   VAL   MG1    H   .   .   .   1   1   13   13   GLY   H      H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   10   VAL   MG1    .   .   A   .   13   GLY   H      .   .   .   10   .   HG1#   .   .   .   .   .   13   .   HN     .   .   rr_5ki0   1    
     77    1   .    .   1   1   10   10   VAL   MG2    H   .   .   .   1   1   13   13   GLY   H      H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   10   VAL   MG2    .   .   A   .   13   GLY   H      .   .   .   10   .   HG2#   .   .   .   .   .   13   .   HN     .   .   rr_5ki0   1    
     78    1   .    .   1   1   11   11   GLY   HA3    H   .   .   .   1   1   12   12   GLY   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   11   GLY   HA3    .   .   A   .   12   GLY   H      .   .   .   11   .   HA1    .   .   .   .   .   12   .   HN     .   .   rr_5ki0   1    
     79    1   .    .   1   1   13   13   GLY   H      H   .   .   .   1   1   12   12   GLY   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   13   GLY   H      .   .   A   .   12   GLY   H      .   .   .   13   .   HN     .   .   .   .   .   12   .   HN     .   .   rr_5ki0   1    
     80    1   .    .   1   1   14   14   SER   HA     H   .   .   .   1   1   15   15   SER   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   14   SER   HA     .   .   A   .   15   SER   H      .   .   .   14   .   HA     .   .   .   .   .   15   .   HN     .   .   rr_5ki0   1    
     81    1   .    .   1   1   15   15   SER   H      H   .   .   .   1   1   14   14   SER   H      H   .   .   .   .   .   2.5   1.8   2.9   .   .   .   .   .   A   .   15   SER   H      .   .   A   .   14   SER   H      .   .   .   15   .   HN     .   .   .   .   .   14   .   HN     .   .   rr_5ki0   1    
     82    1   .    .   1   1   15   15   SER   H      H   .   .   .   1   1   16   16   THR   HA     H   .   .   .   .   .   4.0   1.8   6.0   .   .   .   .   .   A   .   15   SER   H      .   .   A   .   16   THR   HA     .   .   .   15   .   HN     .   .   .   .   .   16   .   HA     .   .   rr_5ki0   1    
     83    1   .    .   1   1   15   15   SER   H      H   .   .   .   1   1   16   16   THR   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   15   SER   H      .   .   A   .   16   THR   H      .   .   .   15   .   HN     .   .   .   .   .   16   .   HN     .   .   rr_5ki0   1    
     84    1   .    .   1   1   16   16   THR   H      H   .   .   .   1   1   15   15   SER   HA     H   .   .   .   .   .   2.5   1.8   2.9   .   .   .   .   .   A   .   16   THR   H      .   .   A   .   15   SER   HA     .   .   .   16   .   HN     .   .   .   .   .   15   .   HA     .   .   rr_5ki0   1    
     85    1   .    .   1   1   15   15   SER   H      H   .   .   .   1   1   17   17   ILE   H      H   .   .   .   .   .   4.0   1.8   6.0   .   .   .   .   .   A   .   15   SER   H      .   .   A   .   17   ILE   H      .   .   .   15   .   HN     .   .   .   .   .   17   .   HN     .   .   rr_5ki0   1    
     86    1   .    .   1   1   15   15   SER   HA     H   .   .   .   1   1   17   17   ILE   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   15   SER   HA     .   .   A   .   17   ILE   H      .   .   .   15   .   HA     .   .   .   .   .   17   .   HN     .   .   rr_5ki0   1    
     87    1   .    .   1   1   16   16   THR   H      H   .   .   .   1   1   16   16   THR   HB     H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   16   THR   H      .   .   A   .   16   THR   HB     .   .   .   16   .   HN     .   .   .   .   .   16   .   HB     .   .   rr_5ki0   1    
     88    1   .    .   1   1   16   16   THR   H      H   .   .   .   1   1   16   16   THR   MG     H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   16   THR   H      .   .   A   .   16   THR   MG     .   .   .   16   .   HN     .   .   .   .   .   16   .   HG2#   .   .   rr_5ki0   1    
     89    1   .    .   1   1   16   16   THR   HA     H   .   .   .   1   1   16   16   THR   MG     H   .   .   .   .   .   3.0   1.8   3.8   .   .   .   .   .   A   .   16   THR   HA     .   .   A   .   16   THR   MG     .   .   .   16   .   HA     .   .   .   .   .   16   .   HG2#   .   .   rr_5ki0   1    
     90    1   .    .   1   1   17   17   ILE   H      H   .   .   .   1   1   16   16   THR   HB     H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   17   ILE   H      .   .   A   .   16   THR   HB     .   .   .   17   .   HN     .   .   .   .   .   16   .   HB     .   .   rr_5ki0   1    
     91    1   .    .   1   1   16   16   THR   H      H   .   .   .   1   1   17   17   ILE   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   16   THR   H      .   .   A   .   17   ILE   H      .   .   .   16   .   HN     .   .   .   .   .   17   .   HN     .   .   rr_5ki0   1    
     92    1   .    .   1   1   16   16   THR   HA     H   .   .   .   1   1   17   17   ILE   H      H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   16   THR   HA     .   .   A   .   17   ILE   H      .   .   .   16   .   HA     .   .   .   .   .   17   .   HN     .   .   rr_5ki0   1    
     93    1   .    .   1   1   16   16   THR   HA     H   .   .   .   1   1   17   17   ILE   MG     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   16   THR   HA     .   .   A   .   17   ILE   MG     .   .   .   16   .   HA     .   .   .   .   .   17   .   HG2#   .   .   rr_5ki0   1    
     94    1   .    .   1   1   16   16   THR   HA     H   .   .   .   1   1   17   17   ILE   HB     H   .   .   .   .   .   4.0   1.8   6.0   .   .   .   .   .   A   .   16   THR   HA     .   .   A   .   17   ILE   HB     .   .   .   16   .   HA     .   .   .   .   .   17   .   HB     .   .   rr_5ki0   1    
     95    1   .    .   1   1   17   17   ILE   H      H   .   .   .   1   1   17   17   ILE   MG     H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   17   ILE   H      .   .   A   .   17   ILE   MG     .   .   .   17   .   HN     .   .   .   .   .   17   .   HG2#   .   .   rr_5ki0   1    
     96    1   OR   .   1   1   17   17   ILE   H      H   .   .   .   1   1   17   17   ILE   HG12   H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   17   ILE   H      .   .   A   .   17   ILE   HG12   .   .   .   17   .   HN     .   .   .   .   .   17   .   HG1#   .   .   rr_5ki0   1    
     96    2   OR   .   1   1   17   17   ILE   H      H   .   .   .   1   1   17   17   ILE   HG13   H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   17   ILE   H      .   .   A   .   17   ILE   HG13   .   .   .   17   .   HN     .   .   .   .   .   17   .   HG1#   .   .   rr_5ki0   1    
     97    1   .    .   1   1   17   17   ILE   H      H   .   .   .   1   1   17   17   ILE   HB     H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   17   ILE   H      .   .   A   .   17   ILE   HB     .   .   .   17   .   HN     .   .   .   .   .   17   .   HB     .   .   rr_5ki0   1    
     98    1   .    .   1   1   17   17   ILE   HB     H   .   .   .   1   1   18   18   LYS   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   17   ILE   HB     .   .   A   .   18   LYS   H      .   .   .   17   .   HB     .   .   .   .   .   18   .   HN     .   .   rr_5ki0   1    
     99    1   .    .   1   1   17   17   ILE   MG     H   .   .   .   1   1   18   18   LYS   H      H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   17   ILE   MG     .   .   A   .   18   LYS   H      .   .   .   17   .   HG2#   .   .   .   .   .   18   .   HN     .   .   rr_5ki0   1    
     100   1   .    .   1   1   17   17   ILE   MG     H   .   .   .   1   1   18   18   LYS   HA     H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   17   ILE   MG     .   .   A   .   18   LYS   HA     .   .   .   17   .   HG2#   .   .   .   .   .   18   .   HA     .   .   rr_5ki0   1    
     101   1   .    .   1   1   17   17   ILE   H      H   .   .   .   1   1   18   18   LYS   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   17   ILE   H      .   .   A   .   18   LYS   H      .   .   .   17   .   HN     .   .   .   .   .   18   .   HN     .   .   rr_5ki0   1    
     102   1   .    .   1   1   18   18   LYS   H      H   .   .   .   1   1   17   17   ILE   HA     H   .   .   .   .   .   3.0   1.8   3.5   .   .   .   .   .   A   .   18   LYS   H      .   .   A   .   17   ILE   HA     .   .   .   18   .   HN     .   .   .   .   .   17   .   HA     .   .   rr_5ki0   1    
     103   1   .    .   1   1   17   17   ILE   HA     H   .   .   .   1   1   19   19   TYR   H      H   .   .   .   .   .   4.0   1.8   6.0   .   .   .   .   .   A   .   17   ILE   HA     .   .   A   .   19   TYR   H      .   .   .   17   .   HA     .   .   .   .   .   19   .   HN     .   .   rr_5ki0   1    
     104   1   .    .   1   1   17   17   ILE   MG     H   .   .   .   1   1   19   19   TYR   QE     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   17   ILE   MG     .   .   A   .   19   TYR   QE     .   .   .   17   .   HG2#   .   .   .   .   .   19   .   HE#    .   .   rr_5ki0   1    
     105   1   OR   .   1   1   19   19   TYR   QE     H   .   .   .   1   1   17   17   ILE   HG12   H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   19   TYR   QE     .   .   A   .   17   ILE   HG12   .   .   .   19   .   HE#    .   .   .   .   .   17   .   HG1#   .   .   rr_5ki0   1    
     105   2   OR   .   1   1   17   17   ILE   HG13   H   .   .   .   1   1   19   19   TYR   QE     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   17   ILE   HG13   .   .   A   .   19   TYR   QE     .   .   .   17   .   HG1#   .   .   .   .   .   19   .   HE#    .   .   rr_5ki0   1    
     106   1   .    .   1   1   17   17   ILE   MG     H   .   .   .   1   1   19   19   TYR   QD     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   17   ILE   MG     .   .   A   .   19   TYR   QD     .   .   .   17   .   HG2#   .   .   .   .   .   19   .   HD#    .   .   rr_5ki0   1    
     107   1   OR   .   1   1   19   19   TYR   QD     H   .   .   .   1   1   17   17   ILE   HG12   H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   17   ILE   HG12   .   .   .   19   .   HD#    .   .   .   .   .   17   .   HG1#   .   .   rr_5ki0   1    
     107   2   OR   .   1   1   17   17   ILE   HG13   H   .   .   .   1   1   19   19   TYR   QD     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   17   ILE   HG13   .   .   A   .   19   TYR   QD     .   .   .   17   .   HG1#   .   .   .   .   .   19   .   HD#    .   .   rr_5ki0   1    
     108   1   .    .   1   1   17   17   ILE   MG     H   .   .   .   1   1   19   19   TYR   H      H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   17   ILE   MG     .   .   A   .   19   TYR   H      .   .   .   17   .   HG2#   .   .   .   .   .   19   .   HN     .   .   rr_5ki0   1    
     109   1   OR   .   1   1   18   18   LYS   H      H   .   .   .   1   1   18   18   LYS   HB2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   18   LYS   H      .   .   A   .   18   LYS   HB2    .   .   .   18   .   HN     .   .   .   .   .   18   .   HB#    .   .   rr_5ki0   1    
     109   2   OR   .   1   1   18   18   LYS   H      H   .   .   .   1   1   18   18   LYS   HB3    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   18   LYS   H      .   .   A   .   18   LYS   HB3    .   .   .   18   .   HN     .   .   .   .   .   18   .   HB#    .   .   rr_5ki0   1    
     110   1   OR   .   1   1   18   18   LYS   H      H   .   .   .   1   1   18   18   LYS   HD2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   18   LYS   H      .   .   A   .   18   LYS   HD2    .   .   .   18   .   HN     .   .   .   .   .   18   .   HD#    .   .   rr_5ki0   1    
     110   2   OR   .   1   1   18   18   LYS   H      H   .   .   .   1   1   18   18   LYS   HD3    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   18   LYS   H      .   .   A   .   18   LYS   HD3    .   .   .   18   .   HN     .   .   .   .   .   18   .   HD#    .   .   rr_5ki0   1    
     111   1   .    .   1   1   18   18   LYS   H      H   .   .   .   1   1   19   19   TYR   QD     H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   18   LYS   H      .   .   A   .   19   TYR   QD     .   .   .   18   .   HN     .   .   .   .   .   19   .   HD#    .   .   rr_5ki0   1    
     112   1   .    .   1   1   18   18   LYS   HA     H   .   .   .   1   1   19   19   TYR   QD     H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   18   LYS   HA     .   .   A   .   19   TYR   QD     .   .   .   18   .   HA     .   .   .   .   .   19   .   HD#    .   .   rr_5ki0   1    
     113   1   OR   .   1   1   19   19   TYR   H      H   .   .   .   1   1   18   18   LYS   HD2    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   19   TYR   H      .   .   A   .   18   LYS   HD2    .   .   .   19   .   HN     .   .   .   .   .   18   .   HD#    .   .   rr_5ki0   1    
     113   2   OR   .   1   1   19   19   TYR   H      H   .   .   .   1   1   18   18   LYS   HD3    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   19   TYR   H      .   .   A   .   18   LYS   HD3    .   .   .   19   .   HN     .   .   .   .   .   18   .   HD#    .   .   rr_5ki0   1    
     114   1   OR   .   1   1   19   19   TYR   H      H   .   .   .   1   1   18   18   LYS   HB2    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   19   TYR   H      .   .   A   .   18   LYS   HB2    .   .   .   19   .   HN     .   .   .   .   .   18   .   HB#    .   .   rr_5ki0   1    
     114   2   OR   .   1   1   19   19   TYR   H      H   .   .   .   1   1   18   18   LYS   HB3    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   19   TYR   H      .   .   A   .   18   LYS   HB3    .   .   .   19   .   HN     .   .   .   .   .   18   .   HB#    .   .   rr_5ki0   1    
     115   1   .    .   1   1   18   18   LYS   H      H   .   .   .   1   1   19   19   TYR   H      H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   18   LYS   H      .   .   A   .   19   TYR   H      .   .   .   18   .   HN     .   .   .   .   .   19   .   HN     .   .   rr_5ki0   1    
     116   1   .    .   1   1   18   18   LYS   HA     H   .   .   .   1   1   19   19   TYR   H      H   .   .   .   .   .   2.5   1.8   2.9   .   .   .   .   .   A   .   18   LYS   HA     .   .   A   .   19   TYR   H      .   .   .   18   .   HA     .   .   .   .   .   19   .   HN     .   .   rr_5ki0   1    
     117   1   OR   .   1   1   19   19   TYR   QD     H   .   .   .   1   1   18   18   LYS   HB2    H   .   .   .   .   .   4.0   1.8   8.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   18   LYS   HB2    .   .   .   19   .   HD#    .   .   .   .   .   18   .   HB#    .   .   rr_5ki0   1    
     117   2   OR   .   1   1   19   19   TYR   QD     H   .   .   .   1   1   18   18   LYS   HB3    H   .   .   .   .   .   4.0   1.8   8.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   18   LYS   HB3    .   .   .   19   .   HD#    .   .   .   .   .   18   .   HB#    .   .   rr_5ki0   1    
     118   1   OR   .   1   1   19   19   TYR   QD     H   .   .   .   1   1   18   18   LYS   HG2    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   18   LYS   HG2    .   .   .   19   .   HD#    .   .   .   .   .   18   .   HG#    .   .   rr_5ki0   1    
     118   2   OR   .   1   1   19   19   TYR   QD     H   .   .   .   1   1   18   18   LYS   HG3    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   18   LYS   HG3    .   .   .   19   .   HD#    .   .   .   .   .   18   .   HG#    .   .   rr_5ki0   1    
     119   1   OR   .   1   1   19   19   TYR   QD     H   .   .   .   1   1   18   18   LYS   HD2    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   18   LYS   HD2    .   .   .   19   .   HD#    .   .   .   .   .   18   .   HD#    .   .   rr_5ki0   1    
     119   2   OR   .   1   1   19   19   TYR   QD     H   .   .   .   1   1   18   18   LYS   HD3    H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   18   LYS   HD3    .   .   .   19   .   HD#    .   .   .   .   .   18   .   HD#    .   .   rr_5ki0   1    
     120   1   .    .   1   1   18   18   LYS   HA     H   .   .   .   1   1   19   19   TYR   QD     H   .   .   .   .   .   4.0   1.8   7.5   .   .   .   .   .   A   .   18   LYS   HA     .   .   A   .   19   TYR   QD     .   .   .   18   .   HA     .   .   .   .   .   19   .   HD#    .   .   rr_5ki0   1    
     121   1   OR   .   1   1   19   19   TYR   QE     H   .   .   .   1   1   18   18   LYS   HD2    H   .   .   .   .   .   4.0   1.8   8.5   .   .   .   .   .   A   .   19   TYR   QE     .   .   A   .   18   LYS   HD2    .   .   .   19   .   HE#    .   .   .   .   .   18   .   HD#    .   .   rr_5ki0   1    
     121   2   OR   .   1   1   19   19   TYR   QE     H   .   .   .   1   1   18   18   LYS   HD3    H   .   .   .   .   .   4.0   1.8   8.5   .   .   .   .   .   A   .   19   TYR   QE     .   .   A   .   18   LYS   HD3    .   .   .   19   .   HE#    .   .   .   .   .   18   .   HD#    .   .   rr_5ki0   1    
     122   1   .    .   1   1   19   19   TYR   QE     H   .   .   .   1   1   19   19   TYR   HB3    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   19   TYR   QE     .   .   A   .   19   TYR   HB3    .   .   .   19   .   HE#    .   .   .   .   .   19   .   HB1    .   .   rr_5ki0   1    
     123   1   .    .   1   1   19   19   TYR   QE     H   .   .   .   1   1   19   19   TYR   HB2    H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   19   TYR   QE     .   .   A   .   19   TYR   HB2    .   .   .   19   .   HE#    .   .   .   .   .   19   .   HB2    .   .   rr_5ki0   1    
     124   1   .    .   1   1   19   19   TYR   H      H   .   .   .   1   1   19   19   TYR   QD     H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   19   TYR   H      .   .   A   .   19   TYR   QD     .   .   .   19   .   HN     .   .   .   .   .   19   .   HD#    .   .   rr_5ki0   1    
     125   1   .    .   1   1   19   19   TYR   H      H   .   .   .   1   1   19   19   TYR   HB3    H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   19   TYR   H      .   .   A   .   19   TYR   HB3    .   .   .   19   .   HN     .   .   .   .   .   19   .   HB1    .   .   rr_5ki0   1    
     126   1   .    .   1   1   19   19   TYR   QD     H   .   .   .   1   1   19   19   TYR   HA     H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   19   TYR   HA     .   .   .   19   .   HD#    .   .   .   .   .   19   .   HA     .   .   rr_5ki0   1    
     127   1   .    .   1   1   19   19   TYR   QE     H   .   .   .   1   1   19   19   TYR   HA     H   .   .   .   .   .   4.0   1.8   6.5   .   .   .   .   .   A   .   19   TYR   QE     .   .   A   .   19   TYR   HA     .   .   .   19   .   HE#    .   .   .   .   .   19   .   HA     .   .   rr_5ki0   1    
     128   1   .    .   1   1   19   19   TYR   H      H   .   .   .   1   1   19   19   TYR   HB2    H   .   .   .   .   .   4.0   1.8   5.0   .   .   .   .   .   A   .   19   TYR   H      .   .   A   .   19   TYR   HB2    .   .   .   19   .   HN     .   .   .   .   .   19   .   HB2    .   .   rr_5ki0   1    
     129   1   .    .   1   1   19   19   TYR   QD     H   .   .   .   1   1   19   19   TYR   HB2    H   .   .   .   .   .   4.0   1.8   5.5   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   19   TYR   HB2    .   .   .   19   .   HD#    .   .   .   .   .   19   .   HB2    .   .   rr_5ki0   1    
     130   1   .    .   1   1   19   19   TYR   QD     H   .   .   .   1   1   19   19   TYR   HB3    H   .   .   .   .   .   3.0   1.8   3.8   .   .   .   .   .   A   .   19   TYR   QD     .   .   A   .   19   TYR   HB3    .   .   .   19   .   HD#    .   .   .   .   .   19   .   HB1    .   .   rr_5ki0   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     1                                                                                                                1     1    1     4     rr_5ki0   1    
     2     'A.109 at 2.44e+04'                                                                                              2     77   2     97    rr_5ki0   1    
     3     'A.97 at 4.55e+04'                                                                                               3     77   3     97    rr_5ki0   1    
     4     'A.110 at 6.44e+04'                                                                                              4     77   4     97    rr_5ki0   1    
     5     'A.104 at 1.56e+04'                                                                                              5     77   5     97    rr_5ki0   1    
     6     'A.72 at 5.24e+04'                                                                                               6     77   6     97    rr_5ki0   1    
     7     'A.31 at 2.57e+05'                                                                                               7     77   7     97    rr_5ki0   1    
     8     'A.66 at 1.06e+04'                                                                                               8     77   8     97    rr_5ki0   1    
     9     'A.115 at 1.53e+04'                                                                                              9     77   9     97    rr_5ki0   1    
     10    'A.116 at 1.58e+04'                                                                                              10    77   10    97    rr_5ki0   1    
     11    
;
add1
2
;
                                                                                                     11    77   13    4     rr_5ki0   1    
     12    'A.70 at 1.92e+05'                                                                                               14    77   14    97    rr_5ki0   1    
     13    'A.1 at 6.60e+04'                                                                                                15    77   15    97    rr_5ki0   1    
     14    'A.112 at 9.73e+04'                                                                                              16    77   16    97    rr_5ki0   1    
     15    add                                                                                                              17    77   17    82    rr_5ki0   1    
     16    'A.42 at 1.69e+05'                                                                                               18    77   18    97    rr_5ki0   1    
     17    'A.71 at 3.15e+04'                                                                                               19    76   19    96    rr_5ki0   1    
     18    add3                                                                                                             20    77   20    83    rr_5ki0   1    
     19    add                                                                                                              23    77   23    82    rr_5ki0   1    
     20    add                                                                                                              24    77   24    83    rr_5ki0   1    
     21    
;
add
3
;
                                                                                                      25    77   27    4     rr_5ki0   1    
     22    'A.107 at 4.03e+04'                                                                                              28    77   28    97    rr_5ki0   1    
     23    'A.122 at 6.93e+04'                                                                                              29    77   29    97    rr_5ki0   1    
     24    'A.106 at 1.09e+05'                                                                                              30    77   30    97    rr_5ki0   1    
     25    'A.114 at 1.17e+05'                                                                                              31    77   31    97    rr_5ki0   1    
     26    'A.10 at 4.49e+04'                                                                                               32    77   32    97    rr_5ki0   1    
     27    'A.73 at 4.53e+04'                                                                                               33    77   33    97    rr_5ki0   1    
     28    'A.74 at 7.32e+04'                                                                                               34    77   34    97    rr_5ki0   1    
     29    add                                                                                                              35    77   35    82    rr_5ki0   1    
     30    add                                                                                                              36    77   36    82    rr_5ki0   1    
     31    'A.61 at 2.82e+05'                                                                                               37    77   37    97    rr_5ki0   1    
     32    'A.78 at 2.00e+04'                                                                                               38    77   38    97    rr_5ki0   1    
     33    
;
add
4
;
                                                                                                      39    77   41    4     rr_5ki0   1    
     34    
;
A.60 at 7.72e+04
5
;
                                                                                         42    77   44    4     rr_5ki0   1    
     35    
;
A.20 at 1.42e+05
6
;
                                                                                         45    77   47    4     rr_5ki0   1    
     36    'A.15 at 1.02e+05'                                                                                               48    77   48    97    rr_5ki0   1    
     37    'A.56 at 1.82e+05'                                                                                               49    77   49    97    rr_5ki0   1    
     38    'add 4'                                                                                                          50    77   50    83    rr_5ki0   1    
     39    
;
add
7
;
                                                                                                      51    77   53    4     rr_5ki0   1    
     40    'A.85 at 4.22e+04'                                                                                               54    77   54    97    rr_5ki0   1    
     41    'A.84 at 4.39e+04'                                                                                               55    77   55    97    rr_5ki0   1    
     42    'A.108 at 4.69e+04'                                                                                              56    77   56    97    rr_5ki0   1    
     43    'A.105 at 2.17e+05'                                                                                              57    77   57    97    rr_5ki0   1    
     44    'A.54 at 1.27e+05'                                                                                               59    77   59    97    rr_5ki0   1    
     45    'A.38 at 1.67e+04'                                                                                               60    77   60    97    rr_5ki0   1    
     46    
;
A.100 at 4.79e+04
8
;
                                                                                        62    77   64    4     rr_5ki0   1    
     47    'A.57 at 1.10e+05'                                                                                               65    77   65    97    rr_5ki0   1    
     48    'A.14 at 1.26e+05'                                                                                               66    77   66    97    rr_5ki0   1    
     49    'A.11 at 1.32e+04'                                                                                               67    77   67    97    rr_5ki0   1    
     50    'A.37 at 1.32e+04'                                                                                               68    77   68    97    rr_5ki0   1    
     51    add                                                                                                              69    77   69    81    rr_5ki0   1    
     52    
;
add
9
;
                                                                                                      70    77   72    4     rr_5ki0   1    
     53    'A.52 at 1.05e+05'                                                                                               73    77   73    97    rr_5ki0   1    
     54    'A.88 at 2.24e+04'                                                                                               74    77   74    97    rr_5ki0   1    
     55    'A.36 at 3.40e+04'                                                                                               76    77   76    97    rr_5ki0   1    
     56    'A.35 at 7.96e+04'                                                                                               79    77   79    97    rr_5ki0   1    
     57    'A.8 at 1.27e+05'                                                                                                80    77   80    97    rr_5ki0   1    
     58    add                                                                                                              81    77   81    82    rr_5ki0   1    
     59    
;
add
10
;
                                                                                                     82    77   83    5     rr_5ki0   1    
     60    'A.83 at 6.77e+04'                                                                                               84    77   84    97    rr_5ki0   1    
     61    'A.111 at 1.09e+05'                                                                                              85    77   85    97    rr_5ki0   1    
     62    'A.94 at 1.31e+05'                                                                                               86    77   86    97    rr_5ki0   1    
     63    'A.93 at 1.36e+05'                                                                                               87    77   87    97    rr_5ki0   1    
     64    'A.82 at 1.90e+05'                                                                                               88    77   88    97    rr_5ki0   1    
     65    'A.76 at 4.29e+04'                                                                                               89    77   89    97    rr_5ki0   1    
     66    'A.75 at 4.58e+04'                                                                                               90    77   90    97    rr_5ki0   1    
     67    'A.6 at 6.19e+04'                                                                                                91    77   91    97    rr_5ki0   1    
     68    'A.77 at 7.53e+04'                                                                                               92    77   92    97    rr_5ki0   1    
     69    'A.62 at 2.39e+05'                                                                                               93    77   93    97    rr_5ki0   1    
     70    11                                                                                                               95    77   97    5     rr_5ki0   1    
     71    
;
A.65 at 1.13e+05
12
;
                                                                                        98    77   100   5     rr_5ki0   1    
     72    
;
A.17 at 1.46e+05
13
14
;
                                                                                     101   77   105   5     rr_5ki0   1    
     73    'A.46 at 1.12e+05'                                                                                               106   77   106   97    rr_5ki0   1    
     74    
;
A.19 at 2.07e+05
15
;
                                                                                        107   77   109   5     rr_5ki0   1    
     75    'A.48 at 1.25e+04'                                                                                               110   77   110   97    rr_5ki0   1    
     76    'A.16 at 8.30e+04'                                                                                               111   77   111   97    rr_5ki0   1    
     77    'A.43 at 1.61e+05'                                                                                               112   77   112   97    rr_5ki0   1    
     78    'A.18 at 1.56e+04'                                                                                               113   77   113   97    rr_5ki0   1    
     79    
;
add
16
;
                                                                                                     114   77   116   5     rr_5ki0   1    
     80    'A.55 at 5.13e+04'                                                                                               117   77   117   97    rr_5ki0   1    
     81    'A.86 at 6.12e+04'                                                                                               118   77   118   97    rr_5ki0   1    
     82    'A.91 at 1.14e+05'                                                                                               119   77   119   97    rr_5ki0   1    
     83    'A.40 at 4.26e+04'                                                                                               120   77   120   97    rr_5ki0   1    
     84    'A.12 at 9.43e+04'                                                                                               121   77   121   97    rr_5ki0   1    
     85    'A.39 at 1.49e+05'                                                                                               122   77   122   97    rr_5ki0   1    
     86    17                                                                                                               124   77   126   5     rr_5ki0   1    
     87    'A.69 at 5.55e+04'                                                                                               127   77   127   97    rr_5ki0   1    
     88    'A.121 at 8.39e+04'                                                                                              128   77   128   97    rr_5ki0   1    
     89    'A.113 at 1.12e+05'                                                                                              129   77   129   97    rr_5ki0   1    
     90    'A.117 at 3.47e+04'                                                                                              130   77   130   97    rr_5ki0   1    
     91    'A.87 at 5.74e+04'                                                                                               131   77   131   97    rr_5ki0   1    
     92    add                                                                                                              132   77   132   82    rr_5ki0   1    
     93    'A.13 at 6.76e+04'                                                                                               133   77   133   97    rr_5ki0   1    
     94    'A.51 at 2.33e+05'                                                                                               134   77   134   97    rr_5ki0   1    
     95    add                                                                                                              135   77   135   82    rr_5ki0   1    
     96    'A.68 at 1.24e+04'                                                                                               136   77   136   97    rr_5ki0   1    
     97    `                                                                                                                137   77   137   79    rr_5ki0   1    
     98    'A.67 at 2.60e+04'                                                                                               138   77   138   97    rr_5ki0   1    
     99    
;
A.79 at 2.98e+04
18
;
                                                                                        140   77   142   5     rr_5ki0   1    
     100   'A.118 at 4.10e+04'                                                                                              143   77   143   97    rr_5ki0   1    
     101   'A.119 at 6.56e+04'                                                                                              144   77   144   97    rr_5ki0   1    
     102   'A.9 at 1.04e+04'                                                                                                145   77   145   97    rr_5ki0   1    
     103   'A.124 at 1.14e+04'                                                                                              146   77   146   97    rr_5ki0   1    
     104   'A.81 at 1.99e+04'                                                                                               147   77   147   97    rr_5ki0   1    
     105   
;
A.80 at 2.15e+04
assign (resid 18 and name HZ ) (resid 19 and name HD# ) 4.0 2.2 1.5 ! not15 A.21 at 3.01e+04
;
148   77   149   105   rr_5ki0   1    
     106   'A.7 at 4.77e+04'                                                                                                150   77   150   97    rr_5ki0   1    
     107   'A.32 at 1.76e+05'                                                                                               151   77   151   97    rr_5ki0   1    
     108   add5                                                                                                             152   78   152   83    rr_5ki0   1    
     109   add                                                                                                              153   78   153   82    rr_5ki0   1    
     110   add                                                                                                              154   78   154   82    rr_5ki0   1    
     111   add                                                                                                              155   78   155   82    rr_5ki0   1    
     112   19                                                                                                               156   78   158   5     rr_5ki0   1    
     113   'A.25 at 1.40e+04'                                                                                               159   77   159   97    rr_5ki0   1    
     114   'A.26 at 1.41e+04'                                                                                               160   77   160   97    rr_5ki0   1    
     115   'A.2 at 3.96e+04'                                                                                                161   77   161   97    rr_5ki0   1    
     116   'A.27 at 4.30e+04'                                                                                               162   77   162   97    rr_5ki0   1    
     117   'A.22 at 5.01e+04'                                                                                               163   77   163   97    rr_5ki0   1    
     118   add2                                                                                                             164   77   164   83    rr_5ki0   1    
     119   'A.28 at 6.86e+04'                                                                                               165   77   165   97    rr_5ki0   1    
     120   'A.24 at 9.35e+04'                                                                                               166   77   166   97    rr_5ki0   1    
     121   
;
A.23 at 1.06e+05
@ END_XPLR_NOE_FILE
;
                                                                       167   77   169   21    rr_5ki0   1    

   stop_

save_

save_CNS/XPLOR_dihedral_2
   _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
   _Torsion_angle_constraint_list.Sf_framecode        CNS/XPLOR_dihedral_2
   _Torsion_angle_constraint_list.Entry_ID            rr_5ki0
   _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            2

   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_5ki0   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    ARG   C   C   .   .   1   1   2    2    ALA   N    N   .   .   1   1   2    2    ALA   CA   C   .   .   1   1   2    2    ALA   C   C   .   -113.0   -53.0   .   .   .   A   .   1    ARG   C   .   .   A   .   2    ALA   N    .   .   A   .   2    ALA   CA   .   .   A   .   2    ALA   C   .   .   .   1    .   C   .   .   .   .   .   2    .   N    .   .   .   .   .   2    .   CA   .   .   .   .   .   2    .   C   .   .   rr_5ki0   1    
     2    .   .   1   1   2    2    ALA   N   N   .   .   1   1   2    2    ALA   CA   C   .   .   1   1   2    2    ALA   C    C   .   .   1   1   3    3    ILE   N   N   .   -62.0    -2.0    .   .   .   A   .   2    ALA   N   .   .   A   .   2    ALA   CA   .   .   A   .   2    ALA   C    .   .   A   .   3    ILE   N   .   .   .   2    .   N   .   .   .   .   .   2    .   CA   .   .   .   .   .   2    .   C    .   .   .   .   .   3    .   N   .   .   rr_5ki0   1    
     3    .   .   1   1   2    2    ALA   C   C   .   .   1   1   3    3    ILE   N    N   .   .   1   1   3    3    ILE   CA   C   .   .   1   1   3    3    ILE   C   C   .   -102.0   -42.0   .   .   .   A   .   2    ALA   C   .   .   A   .   3    ILE   N    .   .   A   .   3    ILE   CA   .   .   A   .   3    ILE   C   .   .   .   2    .   C   .   .   .   .   .   3    .   N    .   .   .   .   .   3    .   CA   .   .   .   .   .   3    .   C   .   .   rr_5ki0   1    
     4    .   .   1   1   3    3    ILE   N   N   .   .   1   1   3    3    ILE   CA   C   .   .   1   1   3    3    ILE   C    C   .   .   1   1   4    4    GLY   N   N   .   -54.0    6.0     .   .   .   A   .   3    ILE   N   .   .   A   .   3    ILE   CA   .   .   A   .   3    ILE   C    .   .   A   .   4    GLY   N   .   .   .   3    .   N   .   .   .   .   .   3    .   CA   .   .   .   .   .   3    .   C    .   .   .   .   .   4    .   N   .   .   rr_5ki0   1    
     5    .   .   1   1   6    6    GLY   C   C   .   .   1   1   7    7    LEU   N    N   .   .   1   1   7    7    LEU   CA   C   .   .   1   1   7    7    LEU   C   C   .   -88.0    -48.0   .   .   .   A   .   6    GLY   C   .   .   A   .   7    LEU   N    .   .   A   .   7    LEU   CA   .   .   A   .   7    LEU   C   .   .   .   6    .   C   .   .   .   .   .   7    .   N    .   .   .   .   .   7    .   CA   .   .   .   .   .   7    .   C   .   .   rr_5ki0   1    
     6    .   .   1   1   7    7    LEU   N   N   .   .   1   1   7    7    LEU   CA   C   .   .   1   1   7    7    LEU   C    C   .   .   1   1   8    8    SER   N   N   .   -46.0    -6.0    .   .   .   A   .   7    LEU   N   .   .   A   .   7    LEU   CA   .   .   A   .   7    LEU   C    .   .   A   .   8    SER   N   .   .   .   7    .   N   .   .   .   .   .   7    .   CA   .   .   .   .   .   7    .   C    .   .   .   .   .   8    .   N   .   .   rr_5ki0   1    
     7    .   .   1   1   7    7    LEU   C   C   .   .   1   1   8    8    SER   N    N   .   .   1   1   8    8    SER   CA   C   .   .   1   1   8    8    SER   C   C   .   -89.0    -49.0   .   .   .   A   .   7    LEU   C   .   .   A   .   8    SER   N    .   .   A   .   8    SER   CA   .   .   A   .   8    SER   C   .   .   .   7    .   C   .   .   .   .   .   8    .   N    .   .   .   .   .   8    .   CA   .   .   .   .   .   8    .   C   .   .   rr_5ki0   1    
     8    .   .   1   1   8    8    SER   N   N   .   .   1   1   8    8    SER   CA   C   .   .   1   1   8    8    SER   C    C   .   .   1   1   9    9    SER   N   N   .   -49.0    -9.0    .   .   .   A   .   8    SER   N   .   .   A   .   8    SER   CA   .   .   A   .   8    SER   C    .   .   A   .   9    SER   N   .   .   .   8    .   N   .   .   .   .   .   8    .   CA   .   .   .   .   .   8    .   C    .   .   .   .   .   9    .   N   .   .   rr_5ki0   1    
     9    .   .   1   1   8    8    SER   C   C   .   .   1   1   9    9    SER   N    N   .   .   1   1   9    9    SER   CA   C   .   .   1   1   9    9    SER   C   C   .   -93.0    -53.0   .   .   .   A   .   8    SER   C   .   .   A   .   9    SER   N    .   .   A   .   9    SER   CA   .   .   A   .   9    SER   C   .   .   .   8    .   C   .   .   .   .   .   9    .   N    .   .   .   .   .   9    .   CA   .   .   .   .   .   9    .   C   .   .   rr_5ki0   1    
     10   .   .   1   1   9    9    SER   N   N   .   .   1   1   9    9    SER   CA   C   .   .   1   1   9    9    SER   C    C   .   .   1   1   10   10   VAL   N   N   .   -53.0    -13.0   .   .   .   A   .   9    SER   N   .   .   A   .   9    SER   CA   .   .   A   .   9    SER   C    .   .   A   .   10   VAL   N   .   .   .   9    .   N   .   .   .   .   .   9    .   CA   .   .   .   .   .   9    .   C    .   .   .   .   .   10   .   N   .   .   rr_5ki0   1    
     11   .   .   1   1   13   13   GLY   C   C   .   .   1   1   14   14   SER   N    N   .   .   1   1   14   14   SER   CA   C   .   .   1   1   14   14   SER   C   C   .   -93.0    -33.0   .   .   .   A   .   13   GLY   C   .   .   A   .   14   SER   N    .   .   A   .   14   SER   CA   .   .   A   .   14   SER   C   .   .   .   13   .   C   .   .   .   .   .   14   .   N    .   .   .   .   .   14   .   CA   .   .   .   .   .   14   .   C   .   .   rr_5ki0   1    
     12   .   .   1   1   14   14   SER   N   N   .   .   1   1   14   14   SER   CA   C   .   .   1   1   14   14   SER   C    C   .   .   1   1   15   15   SER   N   N   .   -66.0    -6.0    .   .   .   A   .   14   SER   N   .   .   A   .   14   SER   CA   .   .   A   .   14   SER   C    .   .   A   .   15   SER   N   .   .   .   14   .   N   .   .   .   .   .   14   .   CA   .   .   .   .   .   14   .   C    .   .   .   .   .   15   .   N   .   .   rr_5ki0   1    
     13   .   .   1   1   14   14   SER   C   C   .   .   1   1   15   15   SER   N    N   .   .   1   1   15   15   SER   CA   C   .   .   1   1   15   15   SER   C   C   .   -102.0   -42.0   .   .   .   A   .   14   SER   C   .   .   A   .   15   SER   N    .   .   A   .   15   SER   CA   .   .   A   .   15   SER   C   .   .   .   14   .   C   .   .   .   .   .   15   .   N    .   .   .   .   .   15   .   CA   .   .   .   .   .   15   .   C   .   .   rr_5ki0   1    
     14   .   .   1   1   15   15   SER   N   N   .   .   1   1   15   15   SER   CA   C   .   .   1   1   15   15   SER   C    C   .   .   1   1   16   16   THR   N   N   .   -59.0    1.0     .   .   .   A   .   15   SER   N   .   .   A   .   15   SER   CA   .   .   A   .   15   SER   C    .   .   A   .   16   THR   N   .   .   .   15   .   N   .   .   .   .   .   15   .   CA   .   .   .   .   .   15   .   C    .   .   .   .   .   16   .   N   .   .   rr_5ki0   1    
     15   .   .   1   1   15   15   SER   C   C   .   .   1   1   16   16   THR   N    N   .   .   1   1   16   16   THR   CA   C   .   .   1   1   16   16   THR   C   C   .   -96.0    -36.0   .   .   .   A   .   15   SER   C   .   .   A   .   16   THR   N    .   .   A   .   16   THR   CA   .   .   A   .   16   THR   C   .   .   .   15   .   C   .   .   .   .   .   16   .   N    .   .   .   .   .   16   .   CA   .   .   .   .   .   16   .   C   .   .   rr_5ki0   1    
     16   .   .   1   1   16   16   THR   N   N   .   .   1   1   16   16   THR   CA   C   .   .   1   1   16   16   THR   C    C   .   .   1   1   17   17   ILE   N   N   .   -68.0    -8.0    .   .   .   A   .   16   THR   N   .   .   A   .   16   THR   CA   .   .   A   .   16   THR   C    .   .   A   .   17   ILE   N   .   .   .   16   .   N   .   .   .   .   .   16   .   CA   .   .   .   .   .   16   .   C    .   .   .   .   .   17   .   N   .   .   rr_5ki0   1    
     17   .   .   1   1   16   16   THR   C   C   .   .   1   1   17   17   ILE   N    N   .   .   1   1   17   17   ILE   CA   C   .   .   1   1   17   17   ILE   C   C   .   -105.0   -45.0   .   .   .   A   .   16   THR   C   .   .   A   .   17   ILE   N    .   .   A   .   17   ILE   CA   .   .   A   .   17   ILE   C   .   .   .   16   .   C   .   .   .   .   .   17   .   N    .   .   .   .   .   17   .   CA   .   .   .   .   .   17   .   C   .   .   rr_5ki0   1    
     18   .   .   1   1   17   17   ILE   N   N   .   .   1   1   17   17   ILE   CA   C   .   .   1   1   17   17   ILE   C    C   .   .   1   1   18   18   LYS   N   N   .   -72.0    -12.0   .   .   .   A   .   17   ILE   N   .   .   A   .   17   ILE   CA   .   .   A   .   17   ILE   C    .   .   A   .   18   LYS   N   .   .   .   17   .   N   .   .   .   .   .   17   .   CA   .   .   .   .   .   17   .   C    .   .   .   .   .   18   .   N   .   .   rr_5ki0   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    
;
! phi and phi angles for pep10 #Gus Sept 15 2004
! 2
;
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            2    1    4     5   rr_5ki0   1    
     2    '! 3'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 8    72   10    5   rr_5ki0   1    
     3    
;
!! 4
assign (resid 3 and name C) (resid 4 and name N) (resid 4 and name CA) (resid 4 and name C) 1 -65.00 20.00 2 !
assign (resid 4 and name N) (resid 4 and name CA) (resid 4 and name C) (resid 5 and name N) 1 -44.00 20.00 2 ! !! 5
assign (resid 4 and name C) (resid 5 and name N) (resid 5 and name CA) (resid 5 and name C) 1 -64.00 20.00 2 !
assign (resid 5 and name N) (resid 5 and name CA) (resid 5 and name C) (resid 6 and name N) 1 -40.00 20.00 2 ! !! 6 assign (resid 5 and name C) (resid 6 and name N) (resid 6 and name CA) (resid 6 and name C) 1 -64.00 10.00 2 !
assign (resid 6 and name N) (resid 6 and name CA) (resid 6 and name C) (resid 7 and name N) 1 -43.00 10.00 2 !
;
                        15   1    15    1   rr_5ki0   1    
     4    '! 7'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 34   1    34    5   rr_5ki0   1    
     5    '! 8'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 38   72   39    5   rr_5ki0   1    
     6    '! 9'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 43   72   44    5   rr_5ki0   1    
     7    
;
!! 10
assign (resid 9 and name C) (resid 10 and name N) (resid 10 and name CA) (resid 10 and name C) 1 -65.00 10.00 2 !
assign (resid 10 and name N) (resid 10 and name CA) (resid 10 and name C) (resid 11 and name N) 1 -37.00 10.00 2 ! !! 11
assign (resid 10 and name C) (resid 11 and name N) (resid 11 and name CA) (resid 11 and name C) 1 -65.00 10.00 2 !
assign (resid 11 and name N) (resid 11 and name CA) (resid 11 and name C) (resid 12 and name N) 1 -39.00 10.00 2 ! !! 12
assign (resid 11 and name C) (resid 12 and name N) (resid 12 and name CA) (resid 12 and name C) 1 -66.00 10.00 2 !
assign (resid 12 and name N) (resid 12 and name CA) (resid 12 and name C) (resid 13 and name N) 1 -42.00 10.00 2 !
;
49   1    49    1   rr_5ki0   1    
     8    '! 14'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                66   1    66    6   rr_5ki0   1    
     9    '! 15'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                70   74   71    6   rr_5ki0   1    
     10   '! 16'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                75   74   76    6   rr_5ki0   1    
     11   '! 17'                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                80   74   81    6   rr_5ki0   1    
     12   
;
END
pck2xplr.nawk Table; Input File: tam_noe1.sort
Date: Wed Jul 24 15:47:30 EDT 2013
Path: /hbar1/gswang/Tam_p/ctp1sds_wgnoesyR_71913.fid @ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A tam_noe1.sort 94 35 47 12 0
Total 94 35 47 12 0
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
;
                                                                                                                                                                                                                                                                                                                                                                                                                              85   74   100   2   rr_5ki0   1    

   stop_

   loop_
      _TA_constraint_parse_err.ID
      _TA_constraint_parse_err.Content
      _TA_constraint_parse_err.Begin_line
      _TA_constraint_parse_err.Begin_column
      _TA_constraint_parse_err.End_line
      _TA_constraint_parse_err.End_column
      _TA_constraint_parse_err.Entry_ID
      _TA_constraint_parse_err.Torsion_angle_constraint_list_ID

     1   '# Restraints file 1: kamp19_nmr.tbl'   1   1   1   35   rr_5ki0   1    

   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_5ki0
   _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 ANTIMICROBIAL PROTEIN 16-JUN-16 5KI0 *TITLE NMR STRUCTURE OF HUMAN ANTIMICROBIAL PEPTIDE KAMP-19 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ANTIMICROBIAL PEPTIDE KAMP-19; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS KERATIN 6A FRAGMENT, NON-ALPHA BETA STRUCTURE, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR G.WANG *REVDAT 1 23-NOV-16 5KI0 0'

save_
