data_wwPDB_remediated_restraints_file_for_PDB_entry_6cxn

# This wwPDB archive file contains, for PDB entry 6cxn:
#
# - 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_6cxn
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 6cxn'
   _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 6cxn'
   _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   6cxn   'Master copy'   rr_6cxn    

   stop_

save_

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

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_6cxn
   _Assembly.ID                    1
   _Assembly.Name                  6cxn
   _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        869.0607

   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   'Hexapeptide HRFLRH'   1   $Hexapeptide_HRFLRH   A   .   no   .   .   .   .   .   .   rr_6cxn   1    

   stop_

save_

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

save_Hexapeptide_HRFLRH
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     Hexapeptide_HRFLRH
   _Entity.Entry_ID                         rr_6cxn
   _Entity.ID                               1
   _Entity.Name                             Hexapeptide_HRFLRH
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polypeptide(L)
   _Entity.Polymer_strand_ID                A
   _Entity.Polymer_seq_one_letter_code      HRFLRHX
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     yes
   _Entity.Nstd_chirality                   yes
   _Entity.Nstd_linkage                     yes
   _Entity.Number_of_monomers               7
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'not present'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   869.0607

   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   .   HIS   .   rr_6cxn   1    
     2   .   ARG   .   rr_6cxn   1    
     3   .   PHE   .   rr_6cxn   1    
     4   .   LEU   .   rr_6cxn   1    
     5   .   ARG   .   rr_6cxn   1    
     6   .   HIS   .   rr_6cxn   1    
     7   .   NH2   .   rr_6cxn   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

     .   HIS   1   1   rr_6cxn   1    
     .   ARG   2   2   rr_6cxn   1    
     .   PHE   3   3   rr_6cxn   1    
     .   LEU   4   4   rr_6cxn   1    
     .   ARG   5   5   rr_6cxn   1    
     .   HIS   6   6   rr_6cxn   1    
     .   NH2   7   7   rr_6cxn   1    

   stop_

save_

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

save_chem_comp_NH2
   _Chem_comp.Sf_category     chem_comp
   _Chem_comp.Sf_framecode    chem_comp_NH2
   _Chem_comp.Entry_ID        rr_6cxn
   _Chem_comp.ID              NH2
   _Chem_comp.Name            'AMINO GROUP'
   _Chem_comp.Type            non-polymer
   _Chem_comp.PDB_code        NH2
   _Chem_comp.Formal_charge   0
   _Chem_comp.Paramagnetic    no
   _Chem_comp.Aromatic        no
   _Chem_comp.Formula         'H2 N'
   _Chem_comp.Formula_weight  16.0225

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_6cxn
   _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  20

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_6cxn
   _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   6cxn.mr   .   .   'MR format'   1   comment                  'Not applicable'   'Not applicable'   0     rr_6cxn   1    
     1   6cxn.mr   .   .   XPLOR/CNS     2   distance                 NOE                simple             126   rr_6cxn   1    
     1   6cxn.mr   .   .   'MR format'   3   'nomenclature mapping'   'Not applicable'   'Not applicable'   0     rr_6cxn   1    

   stop_

save_

save_CNS/XPLOR_distance_constraints_2
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        CNS/XPLOR_distance_constraints_2
   _Gen_dist_constraint_list.Entry_ID            rr_6cxn
   _Gen_dist_constraint_list.ID                  1
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            2

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

     .   .   .   .   rr_6cxn   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   HIS   HD2   H   .   .   .   1   1   1   1   HIS   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   1   HIS   HD2   .   .   A   .   1   HIS   HB2   .   .   .   1   .   HD2    .   .   .   .   .   1   .   HB#    .   .   rr_6cxn   1    
     1     2   OR   .   1   1   1   1   HIS   HD2   H   .   .   .   1   1   1   1   HIS   HB3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   1   HIS   HD2   .   .   A   .   1   HIS   HB3   .   .   .   1   .   HD2    .   .   .   .   .   1   .   HB#    .   .   rr_6cxn   1    
     2     1   OR   .   1   1   3   3   PHE   H     H   .   .   .   1   1   2   2   ARG   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   2   ARG   HB2   .   .   .   3   .   HN     .   .   .   .   .   2   .   HB#    .   .   rr_6cxn   1    
     2     2   OR   .   1   1   3   3   PHE   H     H   .   .   .   1   1   2   2   ARG   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   2   ARG   HB3   .   .   .   3   .   HN     .   .   .   .   .   2   .   HB#    .   .   rr_6cxn   1    
     3     1   OR   .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HD2   .   .   .   5   .   HE     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     3     2   OR   .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HD3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HD3   .   .   .   5   .   HE     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     4     1   OR   .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HD2   .   .   .   5   .   HE     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     4     2   OR   .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HD3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HD3   .   .   .   5   .   HE     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     5     1   OR   .   1   1   2   2   ARG   HE    H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   2   ARG   HE    .   .   A   .   2   ARG   HD2   .   .   .   2   .   HE     .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     5     2   OR   .   1   1   2   2   ARG   HE    H   .   .   .   1   1   2   2   ARG   HD3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   2   ARG   HE    .   .   A   .   2   ARG   HD3   .   .   .   2   .   HE     .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     6     1   OR   .   1   1   2   2   ARG   HE    H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   2   ARG   HE    .   .   A   .   2   ARG   HD2   .   .   .   2   .   HE     .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     6     2   OR   .   1   1   2   2   ARG   HE    H   .   .   .   1   1   2   2   ARG   HD3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   2   ARG   HE    .   .   A   .   2   ARG   HD3   .   .   .   2   .   HE     .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     7     1   OR   .   1   1   4   4   LEU   H     H   .   .   .   1   1   4   4   LEU   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   H     .   .   A   .   4   LEU   HB2   .   .   .   4   .   HN     .   .   .   .   .   4   .   HB#    .   .   rr_6cxn   1    
     7     2   OR   .   1   1   4   4   LEU   HB3   H   .   .   .   1   1   4   4   LEU   H     H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   HB3   .   .   A   .   4   LEU   H     .   .   .   4   .   HB#    .   .   .   .   .   4   .   HN     .   .   rr_6cxn   1    
     8     1   OR   .   1   1   1   1   HIS   HD2   H   .   .   .   1   1   1   1   HIS   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   1   HIS   HD2   .   .   A   .   1   HIS   HB2   .   .   .   1   .   HD2    .   .   .   .   .   1   .   HB#    .   .   rr_6cxn   1    
     8     2   OR   .   1   1   1   1   HIS   HD2   H   .   .   .   1   1   1   1   HIS   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   1   HIS   HD2   .   .   A   .   1   HIS   HB3   .   .   .   1   .   HD2    .   .   .   .   .   1   .   HB#    .   .   rr_6cxn   1    
     9     1   OR   .   1   1   2   2   ARG   HE    H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HE    .   .   A   .   2   ARG   HD2   .   .   .   2   .   HE     .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     9     2   OR   .   1   1   2   2   ARG   HE    H   .   .   .   1   1   2   2   ARG   HD3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HE    .   .   A   .   2   ARG   HD3   .   .   .   2   .   HE     .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     10    1   OR   .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HD2   .   .   .   5   .   HE     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     10    2   OR   .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HD3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HD3   .   .   .   5   .   HE     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     11    1   OR   .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HD2   .   .   .   5   .   HE     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     11    2   OR   .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HD3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HD3   .   .   .   5   .   HE     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     12    1   OR   .   1   1   3   3   PHE   HB2   H   .   .   .   1   1   3   3   PHE   HD1   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HB2   .   .   A   .   3   PHE   HD1   .   .   .   3   .   HB2    .   .   .   .   .   3   .   HD#    .   .   rr_6cxn   1    
     12    2   OR   .   1   1   3   3   PHE   HB2   H   .   .   .   1   1   3   3   PHE   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HB2   .   .   A   .   3   PHE   HD2   .   .   .   3   .   HB2    .   .   .   .   .   3   .   HD#    .   .   rr_6cxn   1    
     13    1   OR   .   1   1   3   3   PHE   HB3   H   .   .   .   1   1   3   3   PHE   HD1   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HB3   .   .   A   .   3   PHE   HD1   .   .   .   3   .   HB1    .   .   .   .   .   3   .   HD#    .   .   rr_6cxn   1    
     13    2   OR   .   1   1   3   3   PHE   HB3   H   .   .   .   1   1   3   3   PHE   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HB3   .   .   A   .   3   PHE   HD2   .   .   .   3   .   HB1    .   .   .   .   .   3   .   HD#    .   .   rr_6cxn   1    
     14    1   OR   .   1   1   1   1   HIS   HA    H   .   .   .   1   1   1   1   HIS   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   1   HIS   HA    .   .   A   .   1   HIS   HB2   .   .   .   1   .   HA     .   .   .   .   .   1   .   HB#    .   .   rr_6cxn   1    
     14    2   OR   .   1   1   1   1   HIS   HB3   H   .   .   .   1   1   1   1   HIS   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   1   HIS   HB3   .   .   A   .   1   HIS   HA    .   .   .   1   .   HB#    .   .   .   .   .   1   .   HA     .   .   rr_6cxn   1    
     15    1   OR   .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HD2   .   .   .   5   .   HA     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     15    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HA    H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HA    .   .   .   5   .   HD#    .   .   .   .   .   5   .   HA     .   .   rr_6cxn   1    
     16    1   OR   .   1   1   4   4   LEU   HA    H   .   .   .   1   1   4   4   LEU   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   4   LEU   HB2   .   .   .   4   .   HA     .   .   .   .   .   4   .   HB#    .   .   rr_6cxn   1    
     16    2   OR   .   1   1   4   4   LEU   HB3   H   .   .   .   1   1   4   4   LEU   HA    H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   HB3   .   .   A   .   4   LEU   HA    .   .   .   4   .   HB#    .   .   .   .   .   4   .   HA     .   .   rr_6cxn   1    
     17    1   OR   .   1   1   2   2   ARG   HA    H   .   .   .   1   1   2   2   ARG   HG2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HA    .   .   A   .   2   ARG   HG2   .   .   .   2   .   HA     .   .   .   .   .   2   .   HG#    .   .   rr_6cxn   1    
     17    2   OR   .   1   1   2   2   ARG   HG3   H   .   .   .   1   1   2   2   ARG   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HG3   .   .   A   .   2   ARG   HA    .   .   .   2   .   HG#    .   .   .   .   .   2   .   HA     .   .   rr_6cxn   1    
     18    1   OR   .   1   1   1   1   HIS   HA    H   .   .   .   1   1   2   2   ARG   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   1   HIS   HA    .   .   A   .   2   ARG   HB2   .   .   .   1   .   HA     .   .   .   .   .   2   .   HB#    .   .   rr_6cxn   1    
     18    2   OR   .   1   1   2   2   ARG   HB3   H   .   .   .   1   1   1   1   HIS   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HB3   .   .   A   .   1   HIS   HA    .   .   .   2   .   HB#    .   .   .   .   .   1   .   HA     .   .   rr_6cxn   1    
     19    1   OR   .   1   1   2   2   ARG   HA    H   .   .   .   1   1   2   2   ARG   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HA    .   .   A   .   2   ARG   HB2   .   .   .   2   .   HA     .   .   .   .   .   2   .   HB#    .   .   rr_6cxn   1    
     19    2   OR   .   1   1   2   2   ARG   HB3   H   .   .   .   1   1   2   2   ARG   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HB3   .   .   A   .   2   ARG   HA    .   .   .   2   .   HB#    .   .   .   .   .   2   .   HA     .   .   rr_6cxn   1    
     20    1   OR   .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   HD2   .   .   .   5   .   HB2    .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     20    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HB2   .   .   .   5   .   HD#    .   .   .   .   .   5   .   HB2    .   .   rr_6cxn   1    
     21    1   OR   .   1   1   5   5   ARG   HB3   H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HB3   .   .   A   .   5   ARG   HD2   .   .   .   5   .   HB1    .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     21    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HB3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HB3   .   .   .   5   .   HD#    .   .   .   .   .   5   .   HB1    .   .   rr_6cxn   1    
     22    1   OR   .   1   1   2   2   ARG   HB3   H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HB3   .   .   A   .   2   ARG   HD2   .   .   .   2   .   HB#    .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     22    2   OR   .   1   1   2   2   ARG   HB2   H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HB2   .   .   A   .   2   ARG   HD2   .   .   .   2   .   HB#    .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     22    3   OR   .   1   1   2   2   ARG   HD3   H   .   .   .   1   1   2   2   ARG   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HD3   .   .   A   .   2   ARG   HB2   .   .   .   2   .   HD#    .   .   .   .   .   2   .   HB#    .   .   rr_6cxn   1    
     22    4   OR   .   1   1   2   2   ARG   HB3   H   .   .   .   1   1   2   2   ARG   HD3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HB3   .   .   A   .   2   ARG   HD3   .   .   .   2   .   HB#    .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     23    1   OR   .   1   1   5   5   ARG   HG2   H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HG2   .   .   A   .   5   ARG   HD2   .   .   .   5   .   HG2    .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     23    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HG2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HG2   .   .   .   5   .   HD#    .   .   .   .   .   5   .   HG2    .   .   rr_6cxn   1    
     24    1   OR   .   1   1   2   2   ARG   HD2   H   .   .   .   1   1   2   2   ARG   HG2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HD2   .   .   A   .   2   ARG   HG2   .   .   .   2   .   HD#    .   .   .   .   .   2   .   HG#    .   .   rr_6cxn   1    
     24    2   OR   .   1   1   2   2   ARG   HD3   H   .   .   .   1   1   2   2   ARG   HG2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HD3   .   .   A   .   2   ARG   HG2   .   .   .   2   .   HD#    .   .   .   .   .   2   .   HG#    .   .   rr_6cxn   1    
     24    3   OR   .   1   1   2   2   ARG   HG3   H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HG3   .   .   A   .   2   ARG   HD2   .   .   .   2   .   HG#    .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     24    4   OR   .   1   1   2   2   ARG   HD3   H   .   .   .   1   1   2   2   ARG   HG3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HD3   .   .   A   .   2   ARG   HG3   .   .   .   2   .   HD#    .   .   .   .   .   2   .   HG#    .   .   rr_6cxn   1    
     25    1   OR   .   1   1   5   5   ARG   HG3   H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HG3   .   .   A   .   5   ARG   HD2   .   .   .   5   .   HG1    .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     25    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HG3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HG3   .   .   .   5   .   HD#    .   .   .   .   .   5   .   HG1    .   .   rr_6cxn   1    
     26    1   OR   .   1   1   4   4   LEU   MD1   H   .   .   .   1   1   4   4   LEU   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   MD1   .   .   A   .   4   LEU   HB2   .   .   .   4   .   HD1#   .   .   .   .   .   4   .   HB#    .   .   rr_6cxn   1    
     26    2   OR   .   1   1   4   4   LEU   HB3   H   .   .   .   1   1   4   4   LEU   MD1   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   HB3   .   .   A   .   4   LEU   MD1   .   .   .   4   .   HB#    .   .   .   .   .   4   .   HD1#   .   .   rr_6cxn   1    
     27    1   OR   .   1   1   4   4   LEU   MD2   H   .   .   .   1   1   4   4   LEU   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   MD2   .   .   A   .   4   LEU   HB2   .   .   .   4   .   HD2#   .   .   .   .   .   4   .   HB#    .   .   rr_6cxn   1    
     27    2   OR   .   1   1   4   4   LEU   HB3   H   .   .   .   1   1   4   4   LEU   MD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   HB3   .   .   A   .   4   LEU   MD2   .   .   .   4   .   HB#    .   .   .   .   .   4   .   HD2#   .   .   rr_6cxn   1    
     28    1   OR   .   1   1   4   4   LEU   MD1   H   .   .   .   1   1   4   4   LEU   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   MD1   .   .   A   .   4   LEU   HB2   .   .   .   4   .   HD1#   .   .   .   .   .   4   .   HB#    .   .   rr_6cxn   1    
     28    2   OR   .   1   1   4   4   LEU   HB3   H   .   .   .   1   1   4   4   LEU   MD1   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   HB3   .   .   A   .   4   LEU   MD1   .   .   .   4   .   HB#    .   .   .   .   .   4   .   HD1#   .   .   rr_6cxn   1    
     29    1   OR   .   1   1   5   5   ARG   HB3   H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HB3   .   .   A   .   5   ARG   HD2   .   .   .   5   .   HB1    .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     29    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HB3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HB3   .   .   .   5   .   HD#    .   .   .   .   .   5   .   HB1    .   .   rr_6cxn   1    
     30    1   OR   .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   HD2   .   .   .   5   .   HB2    .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     30    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HB2   .   .   .   5   .   HD#    .   .   .   .   .   5   .   HB2    .   .   rr_6cxn   1    
     31    1   OR   .   1   1   2   2   ARG   HB2   H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HB2   .   .   A   .   2   ARG   HD2   .   .   .   2   .   HB#    .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     31    2   OR   .   1   1   2   2   ARG   HB3   H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HB3   .   .   A   .   2   ARG   HD2   .   .   .   2   .   HB#    .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     31    3   OR   .   1   1   2   2   ARG   HD3   H   .   .   .   1   1   2   2   ARG   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HD3   .   .   A   .   2   ARG   HB2   .   .   .   2   .   HD#    .   .   .   .   .   2   .   HB#    .   .   rr_6cxn   1    
     31    4   OR   .   1   1   2   2   ARG   HB3   H   .   .   .   1   1   2   2   ARG   HD3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HB3   .   .   A   .   2   ARG   HD3   .   .   .   2   .   HB#    .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     32    1   OR   .   1   1   5   5   ARG   HG2   H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HG2   .   .   A   .   5   ARG   HD2   .   .   .   5   .   HG2    .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     32    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HG2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HG2   .   .   .   5   .   HD#    .   .   .   .   .   5   .   HG2    .   .   rr_6cxn   1    
     33    1   OR   .   1   1   2   2   ARG   HD2   H   .   .   .   1   1   2   2   ARG   HG2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HD2   .   .   A   .   2   ARG   HG2   .   .   .   2   .   HD#    .   .   .   .   .   2   .   HG#    .   .   rr_6cxn   1    
     33    2   OR   .   1   1   2   2   ARG   HD3   H   .   .   .   1   1   2   2   ARG   HG2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HD3   .   .   A   .   2   ARG   HG2   .   .   .   2   .   HD#    .   .   .   .   .   2   .   HG#    .   .   rr_6cxn   1    
     33    3   OR   .   1   1   2   2   ARG   HG3   H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HG3   .   .   A   .   2   ARG   HD2   .   .   .   2   .   HG#    .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     33    4   OR   .   1   1   2   2   ARG   HD3   H   .   .   .   1   1   2   2   ARG   HG3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HD3   .   .   A   .   2   ARG   HG3   .   .   .   2   .   HD#    .   .   .   .   .   2   .   HG#    .   .   rr_6cxn   1    
     34    1   OR   .   1   1   5   5   ARG   HG3   H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HG3   .   .   A   .   5   ARG   HD2   .   .   .   5   .   HG1    .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     34    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HG3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HG3   .   .   .   5   .   HD#    .   .   .   .   .   5   .   HG1    .   .   rr_6cxn   1    
     35    1   OR   .   1   1   2   2   ARG   HA    H   .   .   .   1   1   2   2   ARG   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HA    .   .   A   .   2   ARG   HB2   .   .   .   2   .   HA     .   .   .   .   .   2   .   HB#    .   .   rr_6cxn   1    
     35    2   OR   .   1   1   2   2   ARG   HB3   H   .   .   .   1   1   2   2   ARG   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   2   ARG   HB3   .   .   A   .   2   ARG   HA    .   .   .   2   .   HB#    .   .   .   .   .   2   .   HA     .   .   rr_6cxn   1    
     36    1   OR   .   1   1   4   4   LEU   HA    H   .   .   .   1   1   4   4   LEU   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   4   LEU   HB2   .   .   .   4   .   HA     .   .   .   .   .   4   .   HB#    .   .   rr_6cxn   1    
     36    2   OR   .   1   1   4   4   LEU   HB3   H   .   .   .   1   1   4   4   LEU   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   HB3   .   .   A   .   4   LEU   HA    .   .   .   4   .   HB#    .   .   .   .   .   4   .   HA     .   .   rr_6cxn   1    
     37    1   OR   .   1   1   2   2   ARG   HA    H   .   .   .   1   1   2   2   ARG   HG2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HA    .   .   A   .   2   ARG   HG2   .   .   .   2   .   HA     .   .   .   .   .   2   .   HG#    .   .   rr_6cxn   1    
     37    2   OR   .   1   1   2   2   ARG   HG3   H   .   .   .   1   1   2   2   ARG   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HG3   .   .   A   .   2   ARG   HA    .   .   .   2   .   HG#    .   .   .   .   .   2   .   HA     .   .   rr_6cxn   1    
     38    1   OR   .   1   1   4   4   LEU   MD2   H   .   .   .   1   1   4   4   LEU   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   MD2   .   .   A   .   4   LEU   HB2   .   .   .   4   .   HD2#   .   .   .   .   .   4   .   HB#    .   .   rr_6cxn   1    
     38    2   OR   .   1   1   4   4   LEU   HB3   H   .   .   .   1   1   4   4   LEU   MD2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   HB3   .   .   A   .   4   LEU   MD2   .   .   .   4   .   HB#    .   .   .   .   .   4   .   HD2#   .   .   rr_6cxn   1    
     39    1   OR   .   1   1   1   1   HIS   HA    H   .   .   .   1   1   1   1   HIS   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   1   HIS   HA    .   .   A   .   1   HIS   HB2   .   .   .   1   .   HA     .   .   .   .   .   1   .   HB#    .   .   rr_6cxn   1    
     39    2   OR   .   1   1   1   1   HIS   HB3   H   .   .   .   1   1   1   1   HIS   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   1   HIS   HB3   .   .   A   .   1   HIS   HA    .   .   .   1   .   HB#    .   .   .   .   .   1   .   HA     .   .   rr_6cxn   1    
     40    1   OR   .   1   1   2   2   ARG   HA    H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HA    .   .   A   .   2   ARG   HD2   .   .   .   2   .   HA     .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     40    2   OR   .   1   1   2   2   ARG   HD3   H   .   .   .   1   1   2   2   ARG   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HD3   .   .   A   .   2   ARG   HA    .   .   .   2   .   HD#    .   .   .   .   .   2   .   HA     .   .   rr_6cxn   1    
     41    1   OR   .   1   1   2   2   ARG   HA    H   .   .   .   1   1   2   2   ARG   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HA    .   .   A   .   2   ARG   HD2   .   .   .   2   .   HA     .   .   .   .   .   2   .   HD#    .   .   rr_6cxn   1    
     41    2   OR   .   1   1   2   2   ARG   HD3   H   .   .   .   1   1   2   2   ARG   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HD3   .   .   A   .   2   ARG   HA    .   .   .   2   .   HD#    .   .   .   .   .   2   .   HA     .   .   rr_6cxn   1    
     42    1   OR   .   1   1   3   3   PHE   H     H   .   .   .   1   1   3   3   PHE   HD1   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   3   PHE   HD1   .   .   .   3   .   HN     .   .   .   .   .   3   .   HD#    .   .   rr_6cxn   1    
     42    2   OR   .   1   1   3   3   PHE   H     H   .   .   .   1   1   3   3   PHE   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   3   PHE   HD2   .   .   .   3   .   HN     .   .   .   .   .   3   .   HD#    .   .   rr_6cxn   1    
     43    1   .    .   1   1   3   3   PHE   HZ    H   .   .   .   1   1   3   3   PHE   QE    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HZ    .   .   A   .   3   PHE   QE    .   .   .   3   .   HZ     .   .   .   .   .   3   .   HE#    .   .   rr_6cxn   1    
     44    1   .    .   1   1   3   3   PHE   HZ    H   .   .   .   1   1   3   3   PHE   QE    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HZ    .   .   A   .   3   PHE   QE    .   .   .   3   .   HZ     .   .   .   .   .   3   .   HE#    .   .   rr_6cxn   1    
     45    1   OR   .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HD2   .   .   .   5   .   HA     .   .   .   .   .   5   .   HD#    .   .   rr_6cxn   1    
     45    2   OR   .   1   1   5   5   ARG   HD3   H   .   .   .   1   1   5   5   ARG   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HD3   .   .   A   .   5   ARG   HA    .   .   .   5   .   HD#    .   .   .   .   .   5   .   HA     .   .   rr_6cxn   1    
     46    1   .    .   1   1   1   1   HIS   HD2   H   .   .   .   1   1   1   1   HIS   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   1   HIS   HD2   .   .   A   .   1   HIS   HA    .   .   .   1   .   HD2    .   .   .   .   .   1   .   HA     .   .   rr_6cxn   1    
     47    1   .    .   1   1   1   1   HIS   HA    H   .   .   .   1   1   2   2   ARG   H     H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   1   HIS   HA    .   .   A   .   2   ARG   H     .   .   .   1   .   HA     .   .   .   .   .   2   .   HN     .   .   rr_6cxn   1    
     48    1   .    .   1   1   2   2   ARG   HA    H   .   .   .   1   1   3   3   PHE   HD1   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   2   ARG   HA    .   .   A   .   3   PHE   HD1   .   .   .   2   .   HA     .   .   .   .   .   3   .   HD1    .   .   rr_6cxn   1    
     49    1   .    .   1   1   3   3   PHE   H     H   .   .   .   1   1   2   2   ARG   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   2   ARG   HA    .   .   .   3   .   HN     .   .   .   .   .   2   .   HA     .   .   rr_6cxn   1    
     50    1   .    .   1   1   3   3   PHE   H     H   .   .   .   1   1   2   2   ARG   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   2   ARG   HA    .   .   .   3   .   HN     .   .   .   .   .   2   .   HA     .   .   rr_6cxn   1    
     51    1   .    .   1   1   3   3   PHE   HB3   H   .   .   .   1   1   3   3   PHE   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HB3   .   .   A   .   3   PHE   HA    .   .   .   3   .   HB1    .   .   .   .   .   3   .   HA     .   .   rr_6cxn   1    
     52    1   .    .   1   1   3   3   PHE   HB3   H   .   .   .   1   1   3   3   PHE   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   HB3   .   .   A   .   3   PHE   HA    .   .   .   3   .   HB1    .   .   .   .   .   3   .   HA     .   .   rr_6cxn   1    
     53    1   .    .   1   1   3   3   PHE   HB2   H   .   .   .   1   1   3   3   PHE   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HB2   .   .   A   .   3   PHE   HA    .   .   .   3   .   HB2    .   .   .   .   .   3   .   HA     .   .   rr_6cxn   1    
     54    1   .    .   1   1   3   3   PHE   HB2   H   .   .   .   1   1   3   3   PHE   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   HB2   .   .   A   .   3   PHE   HA    .   .   .   3   .   HB2    .   .   .   .   .   3   .   HA     .   .   rr_6cxn   1    
     55    1   .    .   1   1   3   3   PHE   HB2   H   .   .   .   1   1   3   3   PHE   HB3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HB2   .   .   A   .   3   PHE   HB3   .   .   .   3   .   HB2    .   .   .   .   .   3   .   HB1    .   .   rr_6cxn   1    
     56    1   .    .   1   1   3   3   PHE   HB2   H   .   .   .   1   1   3   3   PHE   HB3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   3   PHE   HB2   .   .   A   .   3   PHE   HB3   .   .   .   3   .   HB2    .   .   .   .   .   3   .   HB1    .   .   rr_6cxn   1    
     57    1   .    .   1   1   3   3   PHE   H     H   .   .   .   1   1   3   3   PHE   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   3   PHE   HA    .   .   .   3   .   HN     .   .   .   .   .   3   .   HA     .   .   rr_6cxn   1    
     58    1   .    .   1   1   3   3   PHE   H     H   .   .   .   1   1   3   3   PHE   HB3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   3   PHE   HB3   .   .   .   3   .   HN     .   .   .   .   .   3   .   HB1    .   .   rr_6cxn   1    
     59    1   .    .   1   1   3   3   PHE   H     H   .   .   .   1   1   3   3   PHE   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   3   PHE   HB3   .   .   .   3   .   HN     .   .   .   .   .   3   .   HB1    .   .   rr_6cxn   1    
     60    1   .    .   1   1   3   3   PHE   H     H   .   .   .   1   1   3   3   PHE   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   3   PHE   HB2   .   .   .   3   .   HN     .   .   .   .   .   3   .   HB2    .   .   rr_6cxn   1    
     61    1   .    .   1   1   3   3   PHE   H     H   .   .   .   1   1   3   3   PHE   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   H     .   .   A   .   3   PHE   HB2   .   .   .   3   .   HN     .   .   .   .   .   3   .   HB2    .   .   rr_6cxn   1    
     62    1   .    .   1   1   3   3   PHE   HD1   H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   3   PHE   HD1   .   .   A   .   4   LEU   HG    .   .   .   3   .   HD1    .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     63    1   .    .   1   1   4   4   LEU   H     H   .   .   .   1   1   3   3   PHE   HA    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   H     .   .   A   .   3   PHE   HA    .   .   .   4   .   HN     .   .   .   .   .   3   .   HA     .   .   rr_6cxn   1    
     64    1   .    .   1   1   4   4   LEU   H     H   .   .   .   1   1   3   3   PHE   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   4   LEU   H     .   .   A   .   3   PHE   HA    .   .   .   4   .   HN     .   .   .   .   .   3   .   HA     .   .   rr_6cxn   1    
     65    1   .    .   1   1   4   4   LEU   H     H   .   .   .   1   1   3   3   PHE   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   4   LEU   H     .   .   A   .   3   PHE   HB3   .   .   .   4   .   HN     .   .   .   .   .   3   .   HB1    .   .   rr_6cxn   1    
     66    1   .    .   1   1   4   4   LEU   H     H   .   .   .   1   1   3   3   PHE   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   4   LEU   H     .   .   A   .   3   PHE   HB2   .   .   .   4   .   HN     .   .   .   .   .   3   .   HB2    .   .   rr_6cxn   1    
     67    1   .    .   1   1   4   4   LEU   HA    H   .   .   .   1   1   4   4   LEU   MD1   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   4   LEU   MD1   .   .   .   4   .   HA     .   .   .   .   .   4   .   HD1#   .   .   rr_6cxn   1    
     68    1   .    .   1   1   4   4   LEU   HA    H   .   .   .   1   1   4   4   LEU   MD1   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   4   LEU   MD1   .   .   .   4   .   HA     .   .   .   .   .   4   .   HD1#   .   .   rr_6cxn   1    
     69    1   .    .   1   1   4   4   LEU   HA    H   .   .   .   1   1   4   4   LEU   MD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   4   LEU   MD2   .   .   .   4   .   HA     .   .   .   .   .   4   .   HD2#   .   .   rr_6cxn   1    
     70    1   .    .   1   1   4   4   LEU   HA    H   .   .   .   1   1   4   4   LEU   MD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   4   LEU   MD2   .   .   .   4   .   HA     .   .   .   .   .   4   .   HD2#   .   .   rr_6cxn   1    
     71    1   .    .   1   1   4   4   LEU   HA    H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   4   LEU   HG    .   .   .   4   .   HA     .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     72    1   .    .   1   1   4   4   LEU   HA    H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   4   LEU   HG    .   .   .   4   .   HA     .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     73    1   .    .   1   1   4   4   LEU   MD1   H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   MD1   .   .   A   .   4   LEU   HG    .   .   .   4   .   HD1#   .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     74    1   .    .   1   1   4   4   LEU   MD1   H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   MD1   .   .   A   .   4   LEU   HG    .   .   .   4   .   HD1#   .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     75    1   .    .   1   1   4   4   LEU   MD2   H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   MD2   .   .   A   .   4   LEU   HG    .   .   .   4   .   HD2#   .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     76    1   .    .   1   1   4   4   LEU   MD2   H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   MD2   .   .   A   .   4   LEU   HG    .   .   .   4   .   HD2#   .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     77    1   .    .   1   1   4   4   LEU   H     H   .   .   .   1   1   4   4   LEU   HA    H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   H     .   .   A   .   4   LEU   HA    .   .   .   4   .   HN     .   .   .   .   .   4   .   HA     .   .   rr_6cxn   1    
     78    1   .    .   1   1   4   4   LEU   H     H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   H     .   .   A   .   4   LEU   HG    .   .   .   4   .   HN     .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     79    1   .    .   1   1   4   4   LEU   H     H   .   .   .   1   1   4   4   LEU   HG    H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   4   LEU   H     .   .   A   .   4   LEU   HG    .   .   .   4   .   HN     .   .   .   .   .   4   .   HG     .   .   rr_6cxn   1    
     80    1   .    .   1   1   4   4   LEU   HA    H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   5   ARG   H     .   .   .   4   .   HA     .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     81    1   .    .   1   1   4   4   LEU   HA    H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   4   LEU   HA    .   .   A   .   5   ARG   H     .   .   .   4   .   HA     .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     82    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HB3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HB3   .   .   .   5   .   HA     .   .   .   .   .   5   .   HB1    .   .   rr_6cxn   1    
     83    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HB3   .   .   .   5   .   HA     .   .   .   .   .   5   .   HB1    .   .   rr_6cxn   1    
     84    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HB2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HB2   .   .   .   5   .   HA     .   .   .   .   .   5   .   HB2    .   .   rr_6cxn   1    
     85    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HB2   .   .   .   5   .   HA     .   .   .   .   .   5   .   HB2    .   .   rr_6cxn   1    
     86    1   .    .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   HB3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   HB3   .   .   .   5   .   HB2    .   .   .   .   .   5   .   HB1    .   .   rr_6cxn   1    
     87    1   .    .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   HB3   .   .   .   5   .   HB2    .   .   .   .   .   5   .   HB1    .   .   rr_6cxn   1    
     88    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HG3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HG3   .   .   .   5   .   HA     .   .   .   .   .   5   .   HG1    .   .   rr_6cxn   1    
     89    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HG3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HG3   .   .   .   5   .   HA     .   .   .   .   .   5   .   HG1    .   .   rr_6cxn   1    
     90    1   .    .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   HG3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   HG3   .   .   .   5   .   HB2    .   .   .   .   .   5   .   HG1    .   .   rr_6cxn   1    
     91    1   .    .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   HG3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   HG3   .   .   .   5   .   HB2    .   .   .   .   .   5   .   HG1    .   .   rr_6cxn   1    
     92    1   .    .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HG3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HG3   .   .   .   5   .   HE     .   .   .   .   .   5   .   HG1    .   .   rr_6cxn   1    
     93    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HG2   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HG2   .   .   .   5   .   HA     .   .   .   .   .   5   .   HG2    .   .   rr_6cxn   1    
     94    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   HG2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   HG2   .   .   .   5   .   HA     .   .   .   .   .   5   .   HG2    .   .   rr_6cxn   1    
     95    1   .    .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   HG2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   HG2   .   .   .   5   .   HB2    .   .   .   .   .   5   .   HG2    .   .   rr_6cxn   1    
     96    1   .    .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   HG2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   HG2   .   .   .   5   .   HB2    .   .   .   .   .   5   .   HG2    .   .   rr_6cxn   1    
     97    1   .    .   1   1   5   5   ARG   HE    H   .   .   .   1   1   5   5   ARG   HG2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   5   ARG   HG2   .   .   .   5   .   HE     .   .   .   .   .   5   .   HG2    .   .   rr_6cxn   1    
     98    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   H     .   .   .   5   .   HA     .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     99    1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   5   ARG   H     .   .   .   5   .   HA     .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     100   1   .    .   1   1   5   5   ARG   HB3   H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HB3   .   .   A   .   5   ARG   H     .   .   .   5   .   HB1    .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     101   1   .    .   1   1   5   5   ARG   HB3   H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   5   ARG   HB3   .   .   A   .   5   ARG   H     .   .   .   5   .   HB1    .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     102   1   .    .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   H     .   .   .   5   .   HB2    .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     103   1   .    .   1   1   5   5   ARG   HB2   H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HB2   .   .   A   .   5   ARG   H     .   .   .   5   .   HB2    .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     104   1   .    .   1   1   5   5   ARG   HG2   H   .   .   .   1   1   5   5   ARG   H     H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HG2   .   .   A   .   5   ARG   H     .   .   .   5   .   HG2    .   .   .   .   .   5   .   HN     .   .   rr_6cxn   1    
     105   1   .    .   1   1   5   5   ARG   HE    H   .   .   .   1   1   6   6   HIS   HA    H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HE    .   .   A   .   6   HIS   HA    .   .   .   5   .   HE     .   .   .   .   .   6   .   HA     .   .   rr_6cxn   1    
     106   1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   6   6   HIS   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   6   HIS   HD2   .   .   .   5   .   HA     .   .   .   .   .   6   .   HD2    .   .   rr_6cxn   1    
     107   1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   6   6   HIS   H     H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   6   HIS   H     .   .   .   5   .   HA     .   .   .   .   .   6   .   HN     .   .   rr_6cxn   1    
     108   1   .    .   1   1   5   5   ARG   HA    H   .   .   .   1   1   6   6   HIS   H     H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   5   ARG   HA    .   .   A   .   6   HIS   H     .   .   .   5   .   HA     .   .   .   .   .   6   .   HN     .   .   rr_6cxn   1    
     109   1   .    .   1   1   5   5   ARG   HB3   H   .   .   .   1   1   6   6   HIS   H     H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   5   ARG   HB3   .   .   A   .   6   HIS   H     .   .   .   5   .   HB1    .   .   .   .   .   6   .   HN     .   .   rr_6cxn   1    
     110   1   .    .   1   1   6   6   HIS   HA    H   .   .   .   1   1   6   6   HIS   HB3   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   6   HIS   HA    .   .   A   .   6   HIS   HB3   .   .   .   6   .   HA     .   .   .   .   .   6   .   HB1    .   .   rr_6cxn   1    
     111   1   .    .   1   1   6   6   HIS   HA    H   .   .   .   1   1   6   6   HIS   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HA    .   .   A   .   6   HIS   HB3   .   .   .   6   .   HA     .   .   .   .   .   6   .   HB1    .   .   rr_6cxn   1    
     112   1   .    .   1   1   6   6   HIS   HA    H   .   .   .   1   1   6   6   HIS   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   6   HIS   HA    .   .   A   .   6   HIS   HB2   .   .   .   6   .   HA     .   .   .   .   .   6   .   HB2    .   .   rr_6cxn   1    
     113   1   .    .   1   1   6   6   HIS   HA    H   .   .   .   1   1   6   6   HIS   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HA    .   .   A   .   6   HIS   HB2   .   .   .   6   .   HA     .   .   .   .   .   6   .   HB2    .   .   rr_6cxn   1    
     114   1   .    .   1   1   6   6   HIS   HB3   H   .   .   .   1   1   6   6   HIS   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   6   HIS   HB3   .   .   A   .   6   HIS   HB2   .   .   .   6   .   HB1    .   .   .   .   .   6   .   HB2    .   .   rr_6cxn   1    
     115   1   .    .   1   1   6   6   HIS   HB3   H   .   .   .   1   1   6   6   HIS   HB2   H   .   .   .   .   .   2.8   1.8   2.8   .   .   .   .   .   A   .   6   HIS   HB3   .   .   A   .   6   HIS   HB2   .   .   .   6   .   HB1    .   .   .   .   .   6   .   HB2    .   .   rr_6cxn   1    
     116   1   .    .   1   1   6   6   HIS   HA    H   .   .   .   1   1   6   6   HIS   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HA    .   .   A   .   6   HIS   HD2   .   .   .   6   .   HA     .   .   .   .   .   6   .   HD2    .   .   rr_6cxn   1    
     117   1   .    .   1   1   6   6   HIS   HA    H   .   .   .   1   1   6   6   HIS   HD2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HA    .   .   A   .   6   HIS   HD2   .   .   .   6   .   HA     .   .   .   .   .   6   .   HD2    .   .   rr_6cxn   1    
     118   1   .    .   1   1   6   6   HIS   HD2   H   .   .   .   1   1   6   6   HIS   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HD2   .   .   A   .   6   HIS   HB3   .   .   .   6   .   HD2    .   .   .   .   .   6   .   HB1    .   .   rr_6cxn   1    
     119   1   .    .   1   1   6   6   HIS   HD2   H   .   .   .   1   1   6   6   HIS   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HD2   .   .   A   .   6   HIS   HB2   .   .   .   6   .   HD2    .   .   .   .   .   6   .   HB2    .   .   rr_6cxn   1    
     120   1   .    .   1   1   6   6   HIS   HD2   H   .   .   .   1   1   6   6   HIS   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HD2   .   .   A   .   6   HIS   HB2   .   .   .   6   .   HD2    .   .   .   .   .   6   .   HB2    .   .   rr_6cxn   1    
     121   1   .    .   1   1   6   6   HIS   HD2   H   .   .   .   1   1   6   6   HIS   HE1   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HD2   .   .   A   .   6   HIS   HE1   .   .   .   6   .   HD2    .   .   .   .   .   6   .   HE1    .   .   rr_6cxn   1    
     122   1   .    .   1   1   6   6   HIS   HA    H   .   .   .   1   1   6   6   HIS   H     H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   HA    .   .   A   .   6   HIS   H     .   .   .   6   .   HA     .   .   .   .   .   6   .   HN     .   .   rr_6cxn   1    
     123   1   .    .   1   1   6   6   HIS   H     H   .   .   .   1   1   6   6   HIS   HB3   H   .   .   .   .   .   3.4   1.8   3.4   .   .   .   .   .   A   .   6   HIS   H     .   .   A   .   6   HIS   HB3   .   .   .   6   .   HN     .   .   .   .   .   6   .   HB1    .   .   rr_6cxn   1    
     124   1   .    .   1   1   6   6   HIS   H     H   .   .   .   1   1   6   6   HIS   HB3   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   H     .   .   A   .   6   HIS   HB3   .   .   .   6   .   HN     .   .   .   .   .   6   .   HB1    .   .   rr_6cxn   1    
     125   1   .    .   1   1   6   6   HIS   H     H   .   .   .   1   1   6   6   HIS   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   H     .   .   A   .   6   HIS   HB2   .   .   .   6   .   HN     .   .   .   .   .   6   .   HB2    .   .   rr_6cxn   1    
     126   1   .    .   1   1   6   6   HIS   H     H   .   .   .   1   1   6   6   HIS   HB2   H   .   .   .   .   .   5.0   1.8   5.0   .   .   .   .   .   A   .   6   HIS   H     .   .   A   .   6   HIS   HB2   .   .   .   6   .   HN     .   .   .   .   .   6   .   HB2    .   .   rr_6cxn   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     noe4.14    2     68   2     81   rr_6cxn   1    
     2     noe4.21    3     67   3     81   rr_6cxn   1    
     3     noe4.31    4     67   4     81   rr_6cxn   1    
     4     noe4.32    5     67   5     81   rr_6cxn   1    
     5     noe4.33    6     67   6     81   rr_6cxn   1    
     6     noe4.34    7     67   7     81   rr_6cxn   1    
     7     noe4.73    8     67   8     81   rr_6cxn   1    
     8     noe4.76    9     68   9     81   rr_6cxn   1    
     9     noe4.77    10    67   10    81   rr_6cxn   1    
     10    noe4.78    11    67   11    81   rr_6cxn   1    
     11    noe4.79    12    67   12    81   rr_6cxn   1    
     12    noe4.80    13    68   13    81   rr_6cxn   1    
     13    noe4.81    14    68   14    81   rr_6cxn   1    
     14    noe4.88    15    67   15    81   rr_6cxn   1    
     15    noe4.89    16    67   16    81   rr_6cxn   1    
     16    noe4.94    17    67   17    81   rr_6cxn   1    
     17    noe4.95    18    67   18    81   rr_6cxn   1    
     18    noe4.99    19    67   19    81   rr_6cxn   1    
     19    noe4.100   20    67   20    82   rr_6cxn   1    
     20    noe4.105   21    68   21    82   rr_6cxn   1    
     21    noe4.106   22    68   22    82   rr_6cxn   1    
     22    noe4.107   23    68   23    82   rr_6cxn   1    
     23    noe4.108   24    68   24    82   rr_6cxn   1    
     24    noe4.109   25    68   25    82   rr_6cxn   1    
     25    noe4.110   26    68   26    82   rr_6cxn   1    
     26    noe4.113   27    69   27    82   rr_6cxn   1    
     27    noe4.114   28    69   28    82   rr_6cxn   1    
     28    noe4.116   29    69   29    82   rr_6cxn   1    
     29    noe4.118   30    68   30    82   rr_6cxn   1    
     30    noe4.119   31    68   31    82   rr_6cxn   1    
     31    noe4.120   32    68   32    82   rr_6cxn   1    
     32    noe4.121   33    68   33    82   rr_6cxn   1    
     33    noe4.122   34    68   34    82   rr_6cxn   1    
     34    noe4.123   35    68   35    82   rr_6cxn   1    
     35    noe4.128   36    67   36    82   rr_6cxn   1    
     36    noe4.130   37    67   37    82   rr_6cxn   1    
     37    noe4.131   38    67   38    82   rr_6cxn   1    
     38    noe4.144   39    69   39    82   rr_6cxn   1    
     39    noe4.147   40    67   40    82   rr_6cxn   1    
     40    noe4.152   41    67   41    82   rr_6cxn   1    
     41    noe4.164   42    67   42    82   rr_6cxn   1    
     42    noe4.178   43    67   43    82   rr_6cxn   1    
     43    noe4.186   44    67   44    82   rr_6cxn   1    
     44    noe4.187   45    67   45    82   rr_6cxn   1    
     45    noe4.190   46    67   46    82   rr_6cxn   1    
     46    noe4.10    47    67   47    81   rr_6cxn   1    
     47    noe4.11    48    66   48    81   rr_6cxn   1    
     48    noe4.136   49    67   49    82   rr_6cxn   1    
     49    noe4.5     50    66   50    80   rr_6cxn   1    
     50    noe4.64    51    66   51    81   rr_6cxn   1    
     51    noe4.85    52    67   52    81   rr_6cxn   1    
     52    noe4.181   53    67   53    82   rr_6cxn   1    
     53    noe4.84    54    67   54    81   rr_6cxn   1    
     54    noe4.151   55    67   55    82   rr_6cxn   1    
     55    noe4.183   56    68   56    82   rr_6cxn   1    
     56    noe4.184   57    68   57    82   rr_6cxn   1    
     57    noe4.3     58    66   58    80   rr_6cxn   1    
     58    noe4.24    59    67   59    81   rr_6cxn   1    
     59    noe4.69    60    67   60    81   rr_6cxn   1    
     60    noe4.25    61    67   61    81   rr_6cxn   1    
     61    noe4.68    62    67   62    81   rr_6cxn   1    
     62    noe4.41    63    67   63    81   rr_6cxn   1    
     63    noe4.4     64    66   64    80   rr_6cxn   1    
     64    noe4.182   65    66   65    82   rr_6cxn   1    
     65    noe4.28    66    67   66    81   rr_6cxn   1    
     66    noe4.29    67    67   67    81   rr_6cxn   1    
     67    noe4.102   68    68   68    82   rr_6cxn   1    
     68    noe4.133   69    68   69    82   rr_6cxn   1    
     69    noe4.101   70    68   70    82   rr_6cxn   1    
     70    noe4.132   71    68   71    82   rr_6cxn   1    
     71    noe4.141   72    66   72    82   rr_6cxn   1    
     72    noe4.146   73    66   73    82   rr_6cxn   1    
     73    noe4.115   74    68   74    82   rr_6cxn   1    
     74    noe4.143   75    68   75    82   rr_6cxn   1    
     75    noe4.112   76    68   76    82   rr_6cxn   1    
     76    noe4.117   77    68   77    82   rr_6cxn   1    
     77    noe4.2     78    66   78    80   rr_6cxn   1    
     78    noe4.19    79    66   79    81   rr_6cxn   1    
     79    noe4.72    80    66   80    81   rr_6cxn   1    
     80    noe4.6     81    66   81    80   rr_6cxn   1    
     81    noe4.62    82    66   82    81   rr_6cxn   1    
     82    noe4.127   83    67   83    82   rr_6cxn   1    
     83    noe4.142   84    67   84    82   rr_6cxn   1    
     84    noe4.98    85    67   85    81   rr_6cxn   1    
     85    noe4.126   86    67   86    82   rr_6cxn   1    
     86    noe4.166   87    68   87    82   rr_6cxn   1    
     87    noe4.167   88    68   88    82   rr_6cxn   1    
     88    noe4.96    89    67   89    81   rr_6cxn   1    
     89    noe4.145   90    67   90    82   rr_6cxn   1    
     90    noe4.172   91    68   91    82   rr_6cxn   1    
     91    noe4.173   92    68   92    82   rr_6cxn   1    
     92    noe4.192   93    67   93    82   rr_6cxn   1    
     93    noe4.97    94    67   94    81   rr_6cxn   1    
     94    noe4.129   95    67   95    82   rr_6cxn   1    
     95    noe4.169   96    68   96    82   rr_6cxn   1    
     96    noe4.171   97    68   97    82   rr_6cxn   1    
     97    noe4.191   98    67   98    82   rr_6cxn   1    
     98    noe4.7     99    66   99    80   rr_6cxn   1    
     99    noe4.63    100   66   100   81   rr_6cxn   1    
     100   noe4.71    101   67   101   81   rr_6cxn   1    
     101   noe4.135   102   67   102   82   rr_6cxn   1    
     102   noe4.20    103   67   103   81   rr_6cxn   1    
     103   noe4.70    104   67   104   81   rr_6cxn   1    
     104   noe4.165   105   67   105   82   rr_6cxn   1    
     105   noe4.52    106   66   106   81   rr_6cxn   1    
     106   noe4.54    107   67   107   81   rr_6cxn   1    
     107   noe4.8     108   66   108   80   rr_6cxn   1    
     108   noe4.65    109   66   109   81   rr_6cxn   1    
     109   noe4.48    110   67   110   81   rr_6cxn   1    
     110   noe4.83    111   67   111   81   rr_6cxn   1    
     111   noe4.150   112   67   112   82   rr_6cxn   1    
     112   noe4.82    113   67   113   81   rr_6cxn   1    
     113   noe4.149   114   67   114   82   rr_6cxn   1    
     114   noe4.153   115   68   115   82   rr_6cxn   1    
     115   noe4.154   116   68   116   82   rr_6cxn   1    
     116   noe4.49    117   67   117   81   rr_6cxn   1    
     117   noe4.50    118   67   118   81   rr_6cxn   1    
     118   noe4.12    119   68   119   81   rr_6cxn   1    
     119   noe4.13    120   68   120   81   rr_6cxn   1    
     120   noe4.193   121   68   121   82   rr_6cxn   1    
     121   noe4.185   122   68   122   82   rr_6cxn   1    
     122   noe4.9     123   66   123   80   rr_6cxn   1    
     123   noe4.26    124   67   124   81   rr_6cxn   1    
     124   noe4.67    125   67   125   81   rr_6cxn   1    
     125   noe4.27    126   67   126   81   rr_6cxn   1    
     126   noe4.66    127   67   127   81   rr_6cxn   1    

   stop_

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

     1   '# Restraints file 1: noe4.tbl'   1   1   1   29   rr_6cxn   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_6cxn
   _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 METAL BINDING PROTEIN 03-APR-18 6CXN *TITLE HRFLRH PEPTIDE NMR STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HEXAPEPTIDE HRFLRH; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PHYLLOMEDUSA CENTRALIS; *SOURCE 4 ORGANISM_COMMON: MATO GROSSO LEAF FROG; *SOURCE 5 ORGANISM_TAXID: 536631 *KEYWDS AMPHIBIAN SKIN SECRETION, METAL AFFINITY AND CO2 AFFINITY, METAL *KEYWDS 2 BINDING PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR D.A.T.PIRES,L.M.R.ARAKE,L.P.SILVA,A.LOPEZ-CASTILLO,M.V.PRATES, *AUTHOR 2 C.J.NASCIMENTO,C.BLOCH JR *REVDAT 1 04-JUL-18 6CXN 0'

save_
