data_wwPDB_remediated_restraints_file_for_PDB_entry_2mg6

# This wwPDB archive file contains, for PDB entry 2mg6:
#
# - 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_2mg6
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 2mg6'
   _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 2mg6'
   _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   2mg6   'Master copy'   rr_2mg6    

   stop_

save_

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

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_2mg6
   _Assembly.ID                    1
   _Assembly.Name                  2mg6
   _Assembly.Number_of_components  1
   _Assembly.Organic_ligands       0
   _Assembly.Metal_ions            0
   _Assembly.Non_standard_bonds    no
   _Assembly.Paramagnetic          no
   _Assembly.Thiol_state           'all free'
   _Assembly.Molecular_mass        1771.9153

   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   'Alpha conotoxin Vc1A'   1   $Alpha_conotoxin_Vc1A   A   .   no   .   .   .   .   .   .   rr_2mg6   1    

   stop_

save_

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

save_Alpha_conotoxin_Vc1A
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     Alpha_conotoxin_Vc1A
   _Entity.Entry_ID                         rr_2mg6
   _Entity.ID                               1
   _Entity.Name                             Alpha_conotoxin_Vc1A
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polypeptide(L)
   _Entity.Polymer_strand_ID                A
   _Entity.Polymer_seq_one_letter_code      GCASDPRCNYDHPEIAX
   _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               17
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'all free'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   1771.9153

   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    .   GLY   .   rr_2mg6   1    
     2    .   CYS   .   rr_2mg6   1    
     3    .   ABA   .   rr_2mg6   1    
     4    .   SER   .   rr_2mg6   1    
     5    .   ASP   .   rr_2mg6   1    
     6    .   PRO   .   rr_2mg6   1    
     7    .   ARG   .   rr_2mg6   1    
     8    .   CYS   .   rr_2mg6   1    
     9    .   ASN   .   rr_2mg6   1    
     10   .   TYR   .   rr_2mg6   1    
     11   .   ASP   .   rr_2mg6   1    
     12   .   HIS   .   rr_2mg6   1    
     13   .   PRO   .   rr_2mg6   1    
     14   .   GLU   .   rr_2mg6   1    
     15   .   ILE   .   rr_2mg6   1    
     16   .   ABA   .   rr_2mg6   1    
     17   .   NH2   .   rr_2mg6   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

     .   GLY   1    1    rr_2mg6   1    
     .   CYS   2    2    rr_2mg6   1    
     .   ABA   3    3    rr_2mg6   1    
     .   SER   4    4    rr_2mg6   1    
     .   ASP   5    5    rr_2mg6   1    
     .   PRO   6    6    rr_2mg6   1    
     .   ARG   7    7    rr_2mg6   1    
     .   CYS   8    8    rr_2mg6   1    
     .   ASN   9    9    rr_2mg6   1    
     .   TYR   10   10   rr_2mg6   1    
     .   ASP   11   11   rr_2mg6   1    
     .   HIS   12   12   rr_2mg6   1    
     .   PRO   13   13   rr_2mg6   1    
     .   GLU   14   14   rr_2mg6   1    
     .   ILE   15   15   rr_2mg6   1    
     .   ABA   16   16   rr_2mg6   1    
     .   NH2   17   17   rr_2mg6   1    

   stop_

save_

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

save_chem_comp_ABA
   _Chem_comp.Sf_category                  chem_comp
   _Chem_comp.Sf_framecode                 chem_comp_ABA
   _Chem_comp.Entry_ID                     rr_2mg6
   _Chem_comp.ID                           ABA
   _Chem_comp.Name                         'ALPHA-AMINOBUTYRIC ACID'
   _Chem_comp.Type                         'L-peptide linking'
   _Chem_comp.PDB_code                     ABA
   _Chem_comp.Std_deriv_one_letter_code    A
   _Chem_comp.Std_deriv_three_letter_code  Ala
   _Chem_comp.Std_deriv_PDB_code           ALA
   _Chem_comp.Std_deriv_chem_comp_name     ALANINE
   _Chem_comp.Formal_charge                0
   _Chem_comp.Paramagnetic                 no
   _Chem_comp.Aromatic                     no
   _Chem_comp.Formula                      'C4 H7 N O'
   _Chem_comp.Formula_weight               85.1054

   loop_
      _Chem_comp_common_name.Name
      _Chem_comp_common_name.Type
      _Chem_comp_common_name.Entry_ID
      _Chem_comp_common_name.Comp_ID

     '(2R)-2-aminobutanoic acid'   name   rr_2mg6   ABA    

   stop_

save_

save_chem_comp_NH2
   _Chem_comp.Sf_category     chem_comp
   _Chem_comp.Sf_framecode    chem_comp_NH2
   _Chem_comp.Entry_ID        rr_2mg6
   _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_2mg6
   _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_2mg6
   _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   2mg6.mr   .   .   'MR format'   1   comment                  'Not applicable'   'Not applicable'   0     rr_2mg6   1    
     1   2mg6.mr   .   .   XPLOR/CNS     2   distance                 'hydrogen bond'    simple             0     rr_2mg6   1    
     1   2mg6.mr   .   .   XPLOR/CNS     3   distance                 NOE                simple             167   rr_2mg6   1    
     1   2mg6.mr   .   .   XPLOR/CNS     4   'dihedral angle'         'Not applicable'   'Not applicable'   21    rr_2mg6   1    
     1   2mg6.mr   .   .   'MR format'   5   'nomenclature mapping'   'Not applicable'   'Not applicable'   0     rr_2mg6   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_2mg6
   _Gen_dist_constraint_list.ID                  2
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            3

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

     .   .   .   .   rr_2mg6   1    

   stop_

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

     1     1   .    .   1   1   7    7    ARG   H     H   .   .   .   1   1   7    7    ARG   HB3    H   .   .   .   .   .   3.49   1.8   3.49   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   7    ARG   HB3    .   .   .   7    .   HN     .   .   .   .   .   7    .   HB2    .   .   rr_2mg6   1    
     2     1   .    .   1   1   7    7    ARG   H     H   .   .   .   1   1   7    7    ARG   HB2    H   .   .   .   .   .   3.49   1.8   3.49   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   7    ARG   HB2    .   .   .   7    .   HN     .   .   .   .   .   7    .   HB1    .   .   rr_2mg6   1    
     3     1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   15   15   ILE   HB     H   .   .   .   .   .   3.03   1.8   3.03   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   15   ILE   HB     .   .   .   15   .   HN     .   .   .   .   .   15   .   HB     .   .   rr_2mg6   1    
     4     1   .    .   1   1   7    7    ARG   HE    H   .   .   .   1   1   7    7    ARG   HB3    H   .   .   .   .   .   4.18   1.8   4.18   .   .   .   .   .   A   .   7    ARG   HE    .   .   A   .   7    ARG   HB3    .   .   .   7    .   HE     .   .   .   .   .   7    .   HB2    .   .   rr_2mg6   1    
     5     1   .    .   1   1   7    7    ARG   HE    H   .   .   .   1   1   7    7    ARG   HB2    H   .   .   .   .   .   4.18   1.8   4.18   .   .   .   .   .   A   .   7    ARG   HE    .   .   A   .   7    ARG   HB2    .   .   .   7    .   HE     .   .   .   .   .   7    .   HB1    .   .   rr_2mg6   1    
     6     1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   15   15   ILE   MG     H   .   .   .   .   .   3.77   1.8   3.77   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   15   ILE   MG     .   .   .   15   .   HN     .   .   .   .   .   15   .   HG2*   .   .   rr_2mg6   1    
     7     1   .    .   1   1   11   11   ASP   H     H   .   .   .   1   1   11   11   ASP   HB3    H   .   .   .   .   .   3.35   1.8   3.35   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   11   ASP   HB3    .   .   .   11   .   HN     .   .   .   .   .   11   .   HB2    .   .   rr_2mg6   1    
     8     1   .    .   1   1   11   11   ASP   H     H   .   .   .   1   1   11   11   ASP   HB2    H   .   .   .   .   .   3.35   1.8   3.35   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   11   ASP   HB2    .   .   .   11   .   HN     .   .   .   .   .   11   .   HB1    .   .   rr_2mg6   1    
     9     1   .    .   1   1   5    5    ASP   H     H   .   .   .   1   1   5    5    ASP   HB2    H   .   .   .   .   .   3.39   1.8   3.39   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   5    ASP   HB2    .   .   .   5    .   HN     .   .   .   .   .   5    .   HB1    .   .   rr_2mg6   1    
     10    1   .    .   1   1   5    5    ASP   H     H   .   .   .   1   1   5    5    ASP   HB3    H   .   .   .   .   .   3.18   1.8   3.18   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   5    ASP   HB3    .   .   .   5    .   HN     .   .   .   .   .   5    .   HB2    .   .   rr_2mg6   1    
     11    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   12   12   HIS   HB2    H   .   .   .   .   .   3.76   1.8   3.76   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   12   HIS   HB2    .   .   .   12   .   HN     .   .   .   .   .   12   .   HB1    .   .   rr_2mg6   1    
     12    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   12   12   HIS   HB3    H   .   .   .   .   .   3.38   1.8   3.38   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   12   HIS   HB3    .   .   .   12   .   HN     .   .   .   .   .   12   .   HB2    .   .   rr_2mg6   1    
     13    1   .    .   1   1   2    2    CYS   H     H   .   .   .   1   1   2    2    CYS   HB2    H   .   .   .   .   .   3.99   1.8   3.99   .   .   .   .   .   A   .   2    CYS   H     .   .   A   .   2    CYS   HB2    .   .   .   2    .   HN     .   .   .   .   .   2    .   HB1    .   .   rr_2mg6   1    
     14    1   .    .   1   1   14   14   GLU   H     H   .   .   .   1   1   14   14   GLU   HG2    H   .   .   .   .   .   4.61   1.8   4.61   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   14   GLU   HG2    .   .   .   14   .   HN     .   .   .   .   .   14   .   HG1    .   .   rr_2mg6   1    
     15    1   .    .   1   1   14   14   GLU   H     H   .   .   .   1   1   14   14   GLU   HG3    H   .   .   .   .   .   4.61   1.8   4.61   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   14   GLU   HG3    .   .   .   14   .   HN     .   .   .   .   .   14   .   HG2    .   .   rr_2mg6   1    
     16    1   .    .   1   1   14   14   GLU   H     H   .   .   .   1   1   14   14   GLU   HB2    H   .   .   .   .   .   3.68   1.8   3.68   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   14   GLU   HB2    .   .   .   14   .   HN     .   .   .   .   .   14   .   HB1    .   .   rr_2mg6   1    
     17    1   .    .   1   1   14   14   GLU   H     H   .   .   .   1   1   14   14   GLU   HB3    H   .   .   .   .   .   3.68   1.8   3.68   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   14   GLU   HB3    .   .   .   14   .   HN     .   .   .   .   .   14   .   HB2    .   .   rr_2mg6   1    
     18    1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   15   15   ILE   MD     H   .   .   .   .   .   4.56   1.8   4.56   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   15   ILE   MD     .   .   .   15   .   HN     .   .   .   .   .   15   .   HD1*   .   .   rr_2mg6   1    
     19    1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   15   15   ILE   HG12   H   .   .   .   .   .   3.62   1.8   3.62   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   15   ILE   HG12   .   .   .   15   .   HN     .   .   .   .   .   15   .   HG11   .   .   rr_2mg6   1    
     20    1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   15   15   ILE   HG13   H   .   .   .   .   .   3.62   1.8   3.62   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   15   ILE   HG13   .   .   .   15   .   HN     .   .   .   .   .   15   .   HG12   .   .   rr_2mg6   1    
     21    1   .    .   1   1   15   15   ILE   MG    H   .   .   .   1   1   15   15   ILE   HA     H   .   .   .   .   .   3.06   1.8   3.06   .   .   .   .   .   A   .   15   ILE   MG    .   .   A   .   15   ILE   HA     .   .   .   15   .   HG2*   .   .   .   .   .   15   .   HA     .   .   rr_2mg6   1    
     22    1   .    .   1   1   15   15   ILE   MG    H   .   .   .   1   1   15   15   ILE   HG12   H   .   .   .   .   .   3.81   1.8   3.81   .   .   .   .   .   A   .   15   ILE   MG    .   .   A   .   15   ILE   HG12   .   .   .   15   .   HG2*   .   .   .   .   .   15   .   HG11   .   .   rr_2mg6   1    
     23    1   .    .   1   1   15   15   ILE   MG    H   .   .   .   1   1   15   15   ILE   MD     H   .   .   .   .   .   2.80   1.8   2.80   .   .   .   .   .   A   .   15   ILE   MG    .   .   A   .   15   ILE   MD     .   .   .   15   .   HG2*   .   .   .   .   .   15   .   HD1*   .   .   rr_2mg6   1    
     24    1   .    .   1   1   15   15   ILE   MG    H   .   .   .   1   1   15   15   ILE   HG13   H   .   .   .   .   .   3.81   1.8   3.81   .   .   .   .   .   A   .   15   ILE   MG    .   .   A   .   15   ILE   HG13   .   .   .   15   .   HG2*   .   .   .   .   .   15   .   HG12   .   .   rr_2mg6   1    
     25    1   .    .   1   1   15   15   ILE   MD    H   .   .   .   1   1   15   15   ILE   HA     H   .   .   .   .   .   3.62   1.8   3.62   .   .   .   .   .   A   .   15   ILE   MD    .   .   A   .   15   ILE   HA     .   .   .   15   .   HD1*   .   .   .   .   .   15   .   HA     .   .   rr_2mg6   1    
     26    1   .    .   1   1   14   14   GLU   HA    H   .   .   .   1   1   14   14   GLU   HG3    H   .   .   .   .   .   3.63   1.8   3.63   .   .   .   .   .   A   .   14   GLU   HA    .   .   A   .   14   GLU   HG3    .   .   .   14   .   HA     .   .   .   .   .   14   .   HG2    .   .   rr_2mg6   1    
     27    1   .    .   1   1   14   14   GLU   HA    H   .   .   .   1   1   14   14   GLU   HG2    H   .   .   .   .   .   3.63   1.8   3.63   .   .   .   .   .   A   .   14   GLU   HA    .   .   A   .   14   GLU   HG2    .   .   .   14   .   HA     .   .   .   .   .   14   .   HG1    .   .   rr_2mg6   1    
     28    1   .    .   1   1   7    7    ARG   HE    H   .   .   .   1   1   7    7    ARG   HA     H   .   .   .   .   .   4.08   1.8   4.08   .   .   .   .   .   A   .   7    ARG   HE    .   .   A   .   7    ARG   HA     .   .   .   7    .   HE     .   .   .   .   .   7    .   HA     .   .   rr_2mg6   1    
     29    1   .    .   1   1   12   12   HIS   HB2   H   .   .   .   1   1   12   12   HIS   HD2    H   .   .   .   .   .   3.79   1.8   3.79   .   .   .   .   .   A   .   12   HIS   HB2   .   .   A   .   12   HIS   HD2    .   .   .   12   .   HB1    .   .   .   .   .   12   .   HD2    .   .   rr_2mg6   1    
     30    1   .    .   1   1   12   12   HIS   HB3   H   .   .   .   1   1   12   12   HIS   HD2    H   .   .   .   .   .   3.50   1.8   3.50   .   .   .   .   .   A   .   12   HIS   HB3   .   .   A   .   12   HIS   HD2    .   .   .   12   .   HB2    .   .   .   .   .   12   .   HD2    .   .   rr_2mg6   1    
     31    1   .    .   1   1   6    6    PRO   HA    H   .   .   .   1   1   9    9    ASN   H      H   .   .   .   .   .   4.20   1.8   4.20   .   .   .   .   .   A   .   6    PRO   HA    .   .   A   .   9    ASN   H      .   .   .   6    .   HA     .   .   .   .   .   9    .   HN     .   .   rr_2mg6   1    
     32    1   .    .   1   1   7    7    ARG   H     H   .   .   .   1   1   5    5    ASP   HA     H   .   .   .   .   .   4.26   1.8   4.26   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   5    ASP   HA     .   .   .   7    .   HN     .   .   .   .   .   5    .   HA     .   .   rr_2mg6   1    
     33    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   9    9    ASN   HA     H   .   .   .   .   .   4.37   1.8   4.37   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   9    ASN   HA     .   .   .   12   .   HN     .   .   .   .   .   9    .   HA     .   .   rr_2mg6   1    
     34    1   .    .   1   1   6    6    PRO   HA    H   .   .   .   1   1   8    8    CYS   H      H   .   .   .   .   .   4.02   1.8   4.02   .   .   .   .   .   A   .   6    PRO   HA    .   .   A   .   8    CYS   H      .   .   .   6    .   HA     .   .   .   .   .   8    .   HN     .   .   rr_2mg6   1    
     35    1   .    .   1   1   7    7    ARG   HA    H   .   .   .   1   1   8    8    CYS   H      H   .   .   .   .   .   3.32   1.8   3.32   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   8    CYS   H      .   .   .   7    .   HA     .   .   .   .   .   8    .   HN     .   .   rr_2mg6   1    
     36    1   .    .   1   1   5    5    ASP   H     H   .   .   .   1   1   4    4    SER   HA     H   .   .   .   .   .   3.58   1.8   3.58   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   4    SER   HA     .   .   .   5    .   HN     .   .   .   .   .   4    .   HA     .   .   rr_2mg6   1    
     37    1   .    .   1   1   12   12   HIS   HD2   H   .   .   .   1   1   12   12   HIS   HA     H   .   .   .   .   .   4.01   1.8   4.01   .   .   .   .   .   A   .   12   HIS   HD2   .   .   A   .   12   HIS   HA     .   .   .   12   .   HD2    .   .   .   .   .   12   .   HA     .   .   rr_2mg6   1    
     38    1   .    .   1   1   12   12   HIS   HD2   H   .   .   .   1   1   8    8    CYS   HA     H   .   .   .   .   .   4.09   1.8   4.09   .   .   .   .   .   A   .   12   HIS   HD2   .   .   A   .   8    CYS   HA     .   .   .   12   .   HD2    .   .   .   .   .   8    .   HA     .   .   rr_2mg6   1    
     39    1   .    .   1   1   10   10   TYR   HA    H   .   .   .   1   1   10   10   TYR   QD     H   .   .   .   .   .   3.24   1.8   3.24   .   .   .   .   .   A   .   10   TYR   HA    .   .   A   .   10   TYR   QD     .   .   .   10   .   HA     .   .   .   .   .   10   .   HD*    .   .   rr_2mg6   1    
     40    1   .    .   1   1   8    8    CYS   H     H   .   .   .   1   1   7    7    ARG   HB3    H   .   .   .   .   .   3.78   1.8   3.78   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   7    ARG   HB3    .   .   .   8    .   HN     .   .   .   .   .   7    .   HB2    .   .   rr_2mg6   1    
     41    1   .    .   1   1   8    8    CYS   H     H   .   .   .   1   1   7    7    ARG   HB2    H   .   .   .   .   .   3.78   1.8   3.78   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   7    ARG   HB2    .   .   .   8    .   HN     .   .   .   .   .   7    .   HB1    .   .   rr_2mg6   1    
     42    1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   14   14   GLU   HB2    H   .   .   .   .   .   3.98   1.8   3.98   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   14   GLU   HB2    .   .   .   15   .   HN     .   .   .   .   .   14   .   HB1    .   .   rr_2mg6   1    
     43    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   11   11   ASP   HB3    H   .   .   .   .   .   3.98   1.8   3.98   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   11   ASP   HB3    .   .   .   12   .   HN     .   .   .   .   .   11   .   HB2    .   .   rr_2mg6   1    
     44    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   11   11   ASP   HB2    H   .   .   .   .   .   3.98   1.8   3.98   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   11   ASP   HB2    .   .   .   12   .   HN     .   .   .   .   .   11   .   HB1    .   .   rr_2mg6   1    
     45    1   .    .   1   1   12   12   HIS   HD2   H   .   .   .   1   1   11   11   ASP   HB3    H   .   .   .   .   .   4.02   1.8   4.02   .   .   .   .   .   A   .   12   HIS   HD2   .   .   A   .   11   ASP   HB3    .   .   .   12   .   HD2    .   .   .   .   .   11   .   HB2    .   .   rr_2mg6   1    
     46    1   .    .   1   1   12   12   HIS   HD2   H   .   .   .   1   1   11   11   ASP   HB2    H   .   .   .   .   .   4.02   1.8   4.02   .   .   .   .   .   A   .   12   HIS   HD2   .   .   A   .   11   ASP   HB2    .   .   .   12   .   HD2    .   .   .   .   .   11   .   HB1    .   .   rr_2mg6   1    
     47    1   .    .   1   1   5    5    ASP   HB3   H   .   .   .   1   1   8    8    CYS   H      H   .   .   .   .   .   3.55   1.8   3.55   .   .   .   .   .   A   .   5    ASP   HB3   .   .   A   .   8    CYS   H      .   .   .   5    .   HB2    .   .   .   .   .   8    .   HN     .   .   rr_2mg6   1    
     48    1   .    .   1   1   7    7    ARG   H     H   .   .   .   1   1   5    5    ASP   HB3    H   .   .   .   .   .   4.29   1.8   4.29   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   5    ASP   HB3    .   .   .   7    .   HN     .   .   .   .   .   5    .   HB2    .   .   rr_2mg6   1    
     49    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   13   13   PRO   HD3    H   .   .   .   .   .   3.94   1.8   3.94   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   13   PRO   HD3    .   .   .   12   .   HN     .   .   .   .   .   13   .   HD2    .   .   rr_2mg6   1    
     50    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   13   13   PRO   HD2    H   .   .   .   .   .   3.94   1.8   3.94   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   13   PRO   HD2    .   .   .   12   .   HN     .   .   .   .   .   13   .   HD1    .   .   rr_2mg6   1    
     51    1   .    .   1   1   14   14   GLU   H     H   .   .   .   1   1   13   13   PRO   HD3    H   .   .   .   .   .   4.88   1.8   4.88   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   13   PRO   HD3    .   .   .   14   .   HN     .   .   .   .   .   13   .   HD2    .   .   rr_2mg6   1    
     52    1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   14   14   GLU   H      H   .   .   .   .   .   3.76   1.8   3.76   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   14   GLU   H      .   .   .   15   .   HN     .   .   .   .   .   14   .   HN     .   .   rr_2mg6   1    
     53    1   .    .   1   1   9    9    ASN   H     H   .   .   .   1   1   8    8    CYS   H      H   .   .   .   .   .   3.03   1.8   3.03   .   .   .   .   .   A   .   9    ASN   H     .   .   A   .   8    CYS   H      .   .   .   9    .   HN     .   .   .   .   .   8    .   HN     .   .   rr_2mg6   1    
     54    1   .    .   1   1   9    9    ASN   H     H   .   .   .   1   1   10   10   TYR   H      H   .   .   .   .   .   3.28   1.8   3.28   .   .   .   .   .   A   .   9    ASN   H     .   .   A   .   10   TYR   H      .   .   .   9    .   HN     .   .   .   .   .   10   .   HN     .   .   rr_2mg6   1    
     55    1   .    .   1   1   7    7    ARG   H     H   .   .   .   1   1   8    8    CYS   H      H   .   .   .   .   .   2.91   1.8   2.91   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   8    CYS   H      .   .   .   7    .   HN     .   .   .   .   .   8    .   HN     .   .   rr_2mg6   1    
     56    1   .    .   1   1   5    5    ASP   H     H   .   .   .   1   1   4    4    SER   H      H   .   .   .   .   .   3.20   1.8   3.20   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   4    SER   H      .   .   .   5    .   HN     .   .   .   .   .   4    .   HN     .   .   rr_2mg6   1    
     57    1   .    .   1   1   5    5    ASP   HB2   H   .   .   .   1   1   8    8    CYS   H      H   .   .   .   .   .   4.33   1.8   4.33   .   .   .   .   .   A   .   5    ASP   HB2   .   .   A   .   8    CYS   H      .   .   .   5    .   HB1    .   .   .   .   .   8    .   HN     .   .   rr_2mg6   1    
     58    1   .    .   1   1   14   14   GLU   H     H   .   .   .   1   1   13   13   PRO   HD2    H   .   .   .   .   .   4.88   1.8   4.88   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   13   PRO   HD2    .   .   .   14   .   HN     .   .   .   .   .   13   .   HD1    .   .   rr_2mg6   1    
     59    1   .    .   1   1   12   12   HIS   HB2   H   .   .   .   1   1   14   14   GLU   H      H   .   .   .   .   .   4.88   1.8   4.88   .   .   .   .   .   A   .   12   HIS   HB2   .   .   A   .   14   GLU   H      .   .   .   12   .   HB1    .   .   .   .   .   14   .   HN     .   .   rr_2mg6   1    
     60    1   .    .   1   1   14   14   GLU   H     H   .   .   .   1   1   12   12   HIS   HA     H   .   .   .   .   .   4.76   1.8   4.76   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   12   HIS   HA     .   .   .   14   .   HN     .   .   .   .   .   12   .   HA     .   .   rr_2mg6   1    
     61    1   .    .   1   1   12   12   HIS   HA    H   .   .   .   1   1   13   13   PRO   HD3    H   .   .   .   .   .   3.05   1.8   3.05   .   .   .   .   .   A   .   12   HIS   HA    .   .   A   .   13   PRO   HD3    .   .   .   12   .   HA     .   .   .   .   .   13   .   HD2    .   .   rr_2mg6   1    
     62    1   .    .   1   1   12   12   HIS   HA    H   .   .   .   1   1   13   13   PRO   HD2    H   .   .   .   .   .   3.05   1.8   3.05   .   .   .   .   .   A   .   12   HIS   HA    .   .   A   .   13   PRO   HD2    .   .   .   12   .   HA     .   .   .   .   .   13   .   HD1    .   .   rr_2mg6   1    
     63    1   .    .   1   1   15   15   ILE   MG    H   .   .   .   1   1   12   12   HIS   HB2    H   .   .   .   .   .   4.27   1.8   4.27   .   .   .   .   .   A   .   15   ILE   MG    .   .   A   .   12   HIS   HB2    .   .   .   15   .   HG2*   .   .   .   .   .   12   .   HB1    .   .   rr_2mg6   1    
     64    1   .    .   1   1   12   12   HIS   HB2   H   .   .   .   1   1   15   15   ILE   MD     H   .   .   .   .   .   3.91   1.8   3.91   .   .   .   .   .   A   .   12   HIS   HB2   .   .   A   .   15   ILE   MD     .   .   .   12   .   HB1    .   .   .   .   .   15   .   HD1*   .   .   rr_2mg6   1    
     65    1   .    .   1   1   12   12   HIS   HB3   H   .   .   .   1   1   15   15   ILE   MD     H   .   .   .   .   .   4.06   1.8   4.06   .   .   .   .   .   A   .   12   HIS   HB3   .   .   A   .   15   ILE   MD     .   .   .   12   .   HB2    .   .   .   .   .   15   .   HD1*   .   .   rr_2mg6   1    
     66    1   .    .   1   1   15   15   ILE   MG    H   .   .   .   1   1   12   12   HIS   HB3    H   .   .   .   .   .   4.26   1.8   4.26   .   .   .   .   .   A   .   15   ILE   MG    .   .   A   .   12   HIS   HB3    .   .   .   15   .   HG2*   .   .   .   .   .   12   .   HB2    .   .   rr_2mg6   1    
     67    1   .    .   1   1   11   11   ASP   H     H   .   .   .   1   1   12   12   HIS   H      H   .   .   .   .   .   2.88   1.8   2.88   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   12   HIS   H      .   .   .   11   .   HN     .   .   .   .   .   12   .   HN     .   .   rr_2mg6   1    
     68    1   .    .   1   1   10   10   TYR   QD    H   .   .   .   1   1   10   10   TYR   H      H   .   .   .   .   .   3.51   1.8   3.51   .   .   .   .   .   A   .   10   TYR   QD    .   .   A   .   10   TYR   H      .   .   .   10   .   HD*    .   .   .   .   .   10   .   HN     .   .   rr_2mg6   1    
     69    1   .    .   1   1   11   11   ASP   H     H   .   .   .   1   1   10   10   TYR   QD     H   .   .   .   .   .   3.94   1.8   3.94   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   10   TYR   QD     .   .   .   11   .   HN     .   .   .   .   .   10   .   HD*    .   .   rr_2mg6   1    
     70    1   .    .   1   1   5    5    ASP   HB3   H   .   .   .   1   1   2    2    CYS   HA     H   .   .   .   .   .   4.84   1.8   4.84   .   .   .   .   .   A   .   5    ASP   HB3   .   .   A   .   2    CYS   HA     .   .   .   5    .   HB2    .   .   .   .   .   2    .   HA     .   .   rr_2mg6   1    
     71    1   .    .   1   1   7    7    ARG   HA    H   .   .   .   1   1   9    9    ASN   H      H   .   .   .   .   .   4.50   1.8   4.50   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   9    ASN   H      .   .   .   7    .   HA     .   .   .   .   .   9    .   HN     .   .   rr_2mg6   1    
     72    1   .    .   1   1   7    7    ARG   H     H   .   .   .   1   1   7    7    ARG   HE     H   .   .   .   .   .   4.60   1.8   4.60   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   7    ARG   HE     .   .   .   7    .   HN     .   .   .   .   .   7    .   HE     .   .   rr_2mg6   1    
     73    1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   12   12   HIS   HB2    H   .   .   .   .   .   4.58   1.8   4.58   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   12   HIS   HB2    .   .   .   15   .   HN     .   .   .   .   .   12   .   HB1    .   .   rr_2mg6   1    
     74    1   .    .   1   1   15   15   ILE   H     H   .   .   .   1   1   14   14   GLU   HB3    H   .   .   .   .   .   3.98   1.8   3.98   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   14   GLU   HB3    .   .   .   15   .   HN     .   .   .   .   .   14   .   HB2    .   .   rr_2mg6   1    
     75    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   12   12   HIS   HD2    H   .   .   .   .   .   4.45   1.8   4.45   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   12   HIS   HD2    .   .   .   12   .   HN     .   .   .   .   .   12   .   HD2    .   .   rr_2mg6   1    
     76    1   .    .   1   1   7    7    ARG   HA    H   .   .   .   1   1   10   10   TYR   H      H   .   .   .   .   .   4.57   1.8   4.57   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   10   TYR   H      .   .   .   7    .   HA     .   .   .   .   .   10   .   HN     .   .   rr_2mg6   1    
     77    1   .    .   1   1   5    5    ASP   H     H   .   .   .   1   1   3    3    ABA   HA     H   .   .   .   .   .   4.51   1.8   4.51   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   3    ABA   HA     .   .   .   5    .   HN     .   .   .   .   .   3    .   HA     .   .   rr_2mg6   1    
     78    1   .    .   1   1   15   15   ILE   HB    H   .   .   .   1   1   15   15   ILE   MD     H   .   .   .   .   .   3.50   1.8   3.50   .   .   .   .   .   A   .   15   ILE   HB    .   .   A   .   15   ILE   MD     .   .   .   15   .   HB     .   .   .   .   .   15   .   HD1*   .   .   rr_2mg6   1    
     79    1   .    .   1   1   9    9    ASN   HA    H   .   .   .   1   1   9    9    ASN   HD22   H   .   .   .   .   .   4.65   1.8   4.65   .   .   .   .   .   A   .   9    ASN   HA    .   .   A   .   9    ASN   HD22   .   .   .   9    .   HA     .   .   .   .   .   9    .   HD22   .   .   rr_2mg6   1    
     80    1   .    .   1   1   9    9    ASN   HA    H   .   .   .   1   1   9    9    ASN   HD21   H   .   .   .   .   .   4.65   1.8   4.65   .   .   .   .   .   A   .   9    ASN   HA    .   .   A   .   9    ASN   HD21   .   .   .   9    .   HA     .   .   .   .   .   9    .   HD21   .   .   rr_2mg6   1    
     81    1   .    .   1   1   8    8    CYS   HA    H   .   .   .   1   1   10   10   TYR   H      H   .   .   .   .   .   4.63   1.8   4.63   .   .   .   .   .   A   .   8    CYS   HA    .   .   A   .   10   TYR   H      .   .   .   8    .   HA     .   .   .   .   .   10   .   HN     .   .   rr_2mg6   1    
     82    1   .    .   1   1   12   12   HIS   HB3   H   .   .   .   1   1   15   15   ILE   HG12   H   .   .   .   .   .   5.50   1.8   5.50   .   .   .   .   .   A   .   12   HIS   HB3   .   .   A   .   15   ILE   HG12   .   .   .   12   .   HB2    .   .   .   .   .   15   .   HG11   .   .   rr_2mg6   1    
     83    1   .    .   1   1   12   12   HIS   HB3   H   .   .   .   1   1   15   15   ILE   HG13   H   .   .   .   .   .   5.50   1.8   5.50   .   .   .   .   .   A   .   12   HIS   HB3   .   .   A   .   15   ILE   HG13   .   .   .   12   .   HB2    .   .   .   .   .   15   .   HG12   .   .   rr_2mg6   1    
     84    1   .    .   1   1   15   15   ILE   HB    H   .   .   .   1   1   12   12   HIS   HB3    H   .   .   .   .   .   5.17   1.8   5.17   .   .   .   .   .   A   .   15   ILE   HB    .   .   A   .   12   HIS   HB3    .   .   .   15   .   HB     .   .   .   .   .   12   .   HB2    .   .   rr_2mg6   1    
     85    1   .    .   1   1   7    7    ARG   H     H   .   .   .   1   1   5    5    ASP   HB2    H   .   .   .   .   .   4.81   1.8   4.81   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   5    ASP   HB2    .   .   .   7    .   HN     .   .   .   .   .   5    .   HB1    .   .   rr_2mg6   1    
     86    1   .    .   1   1   11   11   ASP   H     H   .   .   .   1   1   8    8    CYS   HA     H   .   .   .   .   .   4.24   1.8   4.24   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   8    CYS   HA     .   .   .   11   .   HN     .   .   .   .   .   8    .   HA     .   .   rr_2mg6   1    
     87    1   .    .   1   1   8    8    CYS   HA    H   .   .   .   1   1   11   11   ASP   HB2    H   .   .   .   .   .   4.35   1.8   4.35   .   .   .   .   .   A   .   8    CYS   HA    .   .   A   .   11   ASP   HB2    .   .   .   8    .   HA     .   .   .   .   .   11   .   HB1    .   .   rr_2mg6   1    
     88    1   .    .   1   1   8    8    CYS   HA    H   .   .   .   1   1   11   11   ASP   HB3    H   .   .   .   .   .   4.35   1.8   4.35   .   .   .   .   .   A   .   8    CYS   HA    .   .   A   .   11   ASP   HB3    .   .   .   8    .   HA     .   .   .   .   .   11   .   HB2    .   .   rr_2mg6   1    
     89    1   .    .   1   1   12   12   HIS   HB3   H   .   .   .   1   1   9    9    ASN   HA     H   .   .   .   .   .   5.04   1.8   5.04   .   .   .   .   .   A   .   12   HIS   HB3   .   .   A   .   9    ASN   HA     .   .   .   12   .   HB2    .   .   .   .   .   9    .   HA     .   .   rr_2mg6   1    
     90    1   .    .   1   1   11   11   ASP   H     H   .   .   .   1   1   7    7    ARG   HA     H   .   .   .   .   .   4.73   1.8   4.73   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   7    ARG   HA     .   .   .   11   .   HN     .   .   .   .   .   7    .   HA     .   .   rr_2mg6   1    
     91    1   .    .   1   1   11   11   ASP   H     H   .   .   .   1   1   9    9    ASN   HA     H   .   .   .   .   .   4.24   1.8   4.24   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   9    ASN   HA     .   .   .   11   .   HN     .   .   .   .   .   9    .   HA     .   .   rr_2mg6   1    
     92    1   .    .   1   1   12   12   HIS   H     H   .   .   .   1   1   10   10   TYR   H      H   .   .   .   .   .   3.56   1.8   3.56   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   10   TYR   H      .   .   .   12   .   HN     .   .   .   .   .   10   .   HN     .   .   rr_2mg6   1    
     93    1   .    .   1   1   15   15   ILE   MD    H   .   .   .   1   1   12   12   HIS   HD2    H   .   .   .   .   .   4.42   1.8   4.42   .   .   .   .   .   A   .   15   ILE   MD    .   .   A   .   12   HIS   HD2    .   .   .   15   .   HD1*   .   .   .   .   .   12   .   HD2    .   .   rr_2mg6   1    
     94    1   OR   .   1   1   2    2    CYS   HA    H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   4.86   1.8   4.86   .   .   .   .   .   A   .   2    CYS   HA    .   .   A   .   8    CYS   HB2    .   .   .   2    .   HA     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     94    2   OR   .   1   1   2    2    CYS   HA    H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   4.86   1.8   4.86   .   .   .   .   .   A   .   2    CYS   HA    .   .   A   .   8    CYS   HB3    .   .   .   2    .   HA     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     95    1   OR   .   1   1   2    2    CYS   HB2   H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   3.68   1.8   3.68   .   .   .   .   .   A   .   2    CYS   HB2   .   .   A   .   8    CYS   HB2    .   .   .   2    .   HB1    .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     95    2   OR   .   1   1   2    2    CYS   HB2   H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   3.68   1.8   3.68   .   .   .   .   .   A   .   2    CYS   HB2   .   .   A   .   8    CYS   HB3    .   .   .   2    .   HB1    .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     96    1   OR   .   1   1   3    3    ABA   HA    H   .   .   .   1   1   3    3    ABA   HB2    H   .   .   .   .   .   2.81   1.8   2.81   .   .   .   .   .   A   .   3    ABA   HA    .   .   A   .   3    ABA   HB2    .   .   .   3    .   HA     .   .   .   .   .   3    .   HB*    .   .   rr_2mg6   1    
     96    2   OR   .   1   1   3    3    ABA   HA    H   .   .   .   1   1   3    3    ABA   HB3    H   .   .   .   .   .   2.81   1.8   2.81   .   .   .   .   .   A   .   3    ABA   HA    .   .   A   .   3    ABA   HB3    .   .   .   3    .   HA     .   .   .   .   .   3    .   HB*    .   .   rr_2mg6   1    
     97    1   OR   .   1   1   3    3    ABA   HA    H   .   .   .   1   1   9    9    ASN   HB2    H   .   .   .   .   .   5.39   1.8   5.39   .   .   .   .   .   A   .   3    ABA   HA    .   .   A   .   9    ASN   HB2    .   .   .   3    .   HA     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     97    2   OR   .   1   1   3    3    ABA   HA    H   .   .   .   1   1   9    9    ASN   HB3    H   .   .   .   .   .   5.39   1.8   5.39   .   .   .   .   .   A   .   3    ABA   HA    .   .   A   .   9    ASN   HB3    .   .   .   3    .   HA     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     98    1   OR   .   1   1   4    4    SER   H     H   .   .   .   1   1   3    3    ABA   HB2    H   .   .   .   .   .   4.51   1.8   4.51   .   .   .   .   .   A   .   4    SER   H     .   .   A   .   3    ABA   HB2    .   .   .   4    .   HN     .   .   .   .   .   3    .   HB*    .   .   rr_2mg6   1    
     98    2   OR   .   1   1   4    4    SER   H     H   .   .   .   1   1   3    3    ABA   HB3    H   .   .   .   .   .   4.51   1.8   4.51   .   .   .   .   .   A   .   4    SER   H     .   .   A   .   3    ABA   HB3    .   .   .   4    .   HN     .   .   .   .   .   3    .   HB*    .   .   rr_2mg6   1    
     99    1   OR   .   1   1   5    5    ASP   H     H   .   .   .   1   1   3    3    ABA   HB2    H   .   .   .   .   .   5.81   1.8   5.81   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   3    ABA   HB2    .   .   .   5    .   HN     .   .   .   .   .   3    .   HB*    .   .   rr_2mg6   1    
     99    2   OR   .   1   1   5    5    ASP   H     H   .   .   .   1   1   3    3    ABA   HB3    H   .   .   .   .   .   5.81   1.8   5.81   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   3    ABA   HB3    .   .   .   5    .   HN     .   .   .   .   .   3    .   HB*    .   .   rr_2mg6   1    
     100   1   OR   .   1   1   5    5    ASP   H     H   .   .   .   1   1   6    6    PRO   HD2    H   .   .   .   .   .   4.71   1.8   4.71   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   6    PRO   HD2    .   .   .   5    .   HN     .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     100   2   OR   .   1   1   5    5    ASP   H     H   .   .   .   1   1   6    6    PRO   HD3    H   .   .   .   .   .   4.71   1.8   4.71   .   .   .   .   .   A   .   5    ASP   H     .   .   A   .   6    PRO   HD3    .   .   .   5    .   HN     .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     101   1   OR   .   1   1   5    5    ASP   HA    H   .   .   .   1   1   6    6    PRO   HD2    H   .   .   .   .   .   3.24   1.8   3.24   .   .   .   .   .   A   .   5    ASP   HA    .   .   A   .   6    PRO   HD2    .   .   .   5    .   HA     .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     101   2   OR   .   1   1   5    5    ASP   HA    H   .   .   .   1   1   6    6    PRO   HD3    H   .   .   .   .   .   3.24   1.8   3.24   .   .   .   .   .   A   .   5    ASP   HA    .   .   A   .   6    PRO   HD3    .   .   .   5    .   HA     .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     102   1   OR   .   1   1   5    5    ASP   HB3   H   .   .   .   1   1   6    6    PRO   HD2    H   .   .   .   .   .   5.23   1.8   5.23   .   .   .   .   .   A   .   5    ASP   HB3   .   .   A   .   6    PRO   HD2    .   .   .   5    .   HB2    .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     102   2   OR   .   1   1   5    5    ASP   HB3   H   .   .   .   1   1   6    6    PRO   HD3    H   .   .   .   .   .   5.23   1.8   5.23   .   .   .   .   .   A   .   5    ASP   HB3   .   .   A   .   6    PRO   HD3    .   .   .   5    .   HB2    .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     103   1   OR   .   1   1   5    5    ASP   HB3   H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   5.19   1.8   5.19   .   .   .   .   .   A   .   5    ASP   HB3   .   .   A   .   8    CYS   HB2    .   .   .   5    .   HB2    .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     103   2   OR   .   1   1   5    5    ASP   HB3   H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   5.19   1.8   5.19   .   .   .   .   .   A   .   5    ASP   HB3   .   .   A   .   8    CYS   HB3    .   .   .   5    .   HB2    .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     104   1   OR   .   1   1   5    5    ASP   HB2   H   .   .   .   1   1   6    6    PRO   HD2    H   .   .   .   .   .   5.77   1.8   5.77   .   .   .   .   .   A   .   5    ASP   HB2   .   .   A   .   6    PRO   HD2    .   .   .   5    .   HB1    .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     104   2   OR   .   1   1   5    5    ASP   HB2   H   .   .   .   1   1   6    6    PRO   HD3    H   .   .   .   .   .   5.77   1.8   5.77   .   .   .   .   .   A   .   5    ASP   HB2   .   .   A   .   6    PRO   HD3    .   .   .   5    .   HB1    .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     105   1   OR   .   1   1   5    5    ASP   HB2   H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   6.28   1.8   6.28   .   .   .   .   .   A   .   5    ASP   HB2   .   .   A   .   8    CYS   HB2    .   .   .   5    .   HB1    .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     105   2   OR   .   1   1   5    5    ASP   HB2   H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   6.28   1.8   6.28   .   .   .   .   .   A   .   5    ASP   HB2   .   .   A   .   8    CYS   HB3    .   .   .   5    .   HB1    .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     106   1   OR   .   1   1   6    6    PRO   HA    H   .   .   .   1   1   9    9    ASN   HB2    H   .   .   .   .   .   5.15   1.8   5.15   .   .   .   .   .   A   .   6    PRO   HA    .   .   A   .   9    ASN   HB2    .   .   .   6    .   HA     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     106   2   OR   .   1   1   6    6    PRO   HA    H   .   .   .   1   1   9    9    ASN   HB3    H   .   .   .   .   .   5.15   1.8   5.15   .   .   .   .   .   A   .   6    PRO   HA    .   .   A   .   9    ASN   HB3    .   .   .   6    .   HA     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     107   1   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   6    6    PRO   HB2    H   .   .   .   .   .   4.14   1.8   4.14   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   6    PRO   HB2    .   .   .   7    .   HN     .   .   .   .   .   6    .   HB*    .   .   rr_2mg6   1    
     107   2   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   6    6    PRO   HB3    H   .   .   .   .   .   4.14   1.8   4.14   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   6    PRO   HB3    .   .   .   7    .   HN     .   .   .   .   .   6    .   HB*    .   .   rr_2mg6   1    
     108   1   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   6    6    PRO   HD2    H   .   .   .   .   .   4.29   1.8   4.29   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   6    PRO   HD2    .   .   .   7    .   HN     .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     108   2   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   6    6    PRO   HD3    H   .   .   .   .   .   4.29   1.8   4.29   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   6    PRO   HD3    .   .   .   7    .   HN     .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     109   1   OR   .   1   1   6    6    PRO   HD3   H   .   .   .   1   1   7    7    ARG   HG2    H   .   .   .   .   .   6.43   1.8   6.43   .   .   .   .   .   A   .   6    PRO   HD3   .   .   A   .   7    ARG   HG2    .   .   .   6    .   HD*    .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     109   2   OR   .   1   1   6    6    PRO   HD2   H   .   .   .   1   1   7    7    ARG   HG2    H   .   .   .   .   .   6.43   1.8   6.43   .   .   .   .   .   A   .   6    PRO   HD2   .   .   A   .   7    ARG   HG2    .   .   .   6    .   HD*    .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     109   3   OR   .   1   1   7    7    ARG   HG3   H   .   .   .   1   1   6    6    PRO   HD2    H   .   .   .   .   .   6.43   1.8   6.43   .   .   .   .   .   A   .   7    ARG   HG3   .   .   A   .   6    PRO   HD2    .   .   .   7    .   HG*    .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     109   4   OR   .   1   1   6    6    PRO   HD3   H   .   .   .   1   1   7    7    ARG   HG3    H   .   .   .   .   .   6.43   1.8   6.43   .   .   .   .   .   A   .   6    PRO   HD3   .   .   A   .   7    ARG   HG3    .   .   .   6    .   HD*    .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     110   1   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   6    6    PRO   HD2    H   .   .   .   .   .   5.50   1.8   5.50   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   6    PRO   HD2    .   .   .   8    .   HN     .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     110   2   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   6    6    PRO   HD3    H   .   .   .   .   .   5.50   1.8   5.50   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   6    PRO   HD3    .   .   .   8    .   HN     .   .   .   .   .   6    .   HD*    .   .   rr_2mg6   1    
     111   1   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   7    7    ARG   HB3    H   .   .   .   .   .   3.18   1.8   3.18   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   7    ARG   HB3    .   .   .   7    .   HN     .   .   .   .   .   7    .   HB*    .   .   rr_2mg6   1    
     111   2   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   7    7    ARG   HB2    H   .   .   .   .   .   3.18   1.8   3.18   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   7    ARG   HB2    .   .   .   7    .   HN     .   .   .   .   .   7    .   HB*    .   .   rr_2mg6   1    
     112   1   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   7    7    ARG   HG2    H   .   .   .   .   .   4.01   1.8   4.01   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   7    ARG   HG2    .   .   .   7    .   HN     .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     112   2   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   7    7    ARG   HG3    H   .   .   .   .   .   4.01   1.8   4.01   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   7    ARG   HG3    .   .   .   7    .   HN     .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     113   1   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   5.44   1.8   5.44   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   8    CYS   HB2    .   .   .   7    .   HN     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     113   2   OR   .   1   1   7    7    ARG   H     H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   5.44   1.8   5.44   .   .   .   .   .   A   .   7    ARG   H     .   .   A   .   8    CYS   HB3    .   .   .   7    .   HN     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     114   1   OR   .   1   1   7    7    ARG   HA    H   .   .   .   1   1   7    7    ARG   HG2    H   .   .   .   .   .   3.66   1.8   3.66   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   7    ARG   HG2    .   .   .   7    .   HA     .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     114   2   OR   .   1   1   7    7    ARG   HA    H   .   .   .   1   1   7    7    ARG   HG3    H   .   .   .   .   .   3.66   1.8   3.66   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   7    ARG   HG3    .   .   .   7    .   HA     .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     115   1   OR   .   1   1   7    7    ARG   HA    H   .   .   .   1   1   7    7    ARG   HD2    H   .   .   .   .   .   5.10   1.8   5.10   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   7    ARG   HD2    .   .   .   7    .   HA     .   .   .   .   .   7    .   HD*    .   .   rr_2mg6   1    
     115   2   OR   .   1   1   7    7    ARG   HA    H   .   .   .   1   1   7    7    ARG   HD3    H   .   .   .   .   .   5.10   1.8   5.10   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   7    ARG   HD3    .   .   .   7    .   HA     .   .   .   .   .   7    .   HD*    .   .   rr_2mg6   1    
     116   1   OR   .   1   1   7    7    ARG   HA    H   .   .   .   1   1   10   10   TYR   HB2    H   .   .   .   .   .   5.10   1.8   5.10   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   10   TYR   HB2    .   .   .   7    .   HA     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     116   2   OR   .   1   1   7    7    ARG   HA    H   .   .   .   1   1   10   10   TYR   HB3    H   .   .   .   .   .   5.10   1.8   5.10   .   .   .   .   .   A   .   7    ARG   HA    .   .   A   .   10   TYR   HB3    .   .   .   7    .   HA     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     117   1   OR   .   1   1   7    7    ARG   HE    H   .   .   .   1   1   7    7    ARG   HB3    H   .   .   .   .   .   3.84   1.8   3.84   .   .   .   .   .   A   .   7    ARG   HE    .   .   A   .   7    ARG   HB3    .   .   .   7    .   HE     .   .   .   .   .   7    .   HB*    .   .   rr_2mg6   1    
     117   2   OR   .   1   1   7    7    ARG   HE    H   .   .   .   1   1   7    7    ARG   HB2    H   .   .   .   .   .   3.84   1.8   3.84   .   .   .   .   .   A   .   7    ARG   HE    .   .   A   .   7    ARG   HB2    .   .   .   7    .   HE     .   .   .   .   .   7    .   HB*    .   .   rr_2mg6   1    
     118   1   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   7    7    ARG   HB3    H   .   .   .   .   .   3.62   1.8   3.62   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   7    ARG   HB3    .   .   .   8    .   HN     .   .   .   .   .   7    .   HB*    .   .   rr_2mg6   1    
     118   2   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   7    7    ARG   HB2    H   .   .   .   .   .   3.62   1.8   3.62   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   7    ARG   HB2    .   .   .   8    .   HN     .   .   .   .   .   7    .   HB*    .   .   rr_2mg6   1    
     119   1   OR   .   1   1   7    7    ARG   HE    H   .   .   .   1   1   7    7    ARG   HG2    H   .   .   .   .   .   3.94   1.8   3.94   .   .   .   .   .   A   .   7    ARG   HE    .   .   A   .   7    ARG   HG2    .   .   .   7    .   HE     .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     119   2   OR   .   1   1   7    7    ARG   HE    H   .   .   .   1   1   7    7    ARG   HG3    H   .   .   .   .   .   3.94   1.8   3.94   .   .   .   .   .   A   .   7    ARG   HE    .   .   A   .   7    ARG   HG3    .   .   .   7    .   HE     .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     120   1   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   7    7    ARG   HG2    H   .   .   .   .   .   4.97   1.8   4.97   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   7    ARG   HG2    .   .   .   8    .   HN     .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     120   2   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   7    7    ARG   HG3    H   .   .   .   .   .   4.97   1.8   4.97   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   7    ARG   HG3    .   .   .   8    .   HN     .   .   .   .   .   7    .   HG*    .   .   rr_2mg6   1    
     121   1   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   3.46   1.8   3.46   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   8    CYS   HB2    .   .   .   8    .   HN     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     121   2   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   3.46   1.8   3.46   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   8    CYS   HB3    .   .   .   8    .   HN     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     122   1   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   9    9    ASN   HB2    H   .   .   .   .   .   5.63   1.8   5.63   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   9    ASN   HB2    .   .   .   8    .   HN     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     122   2   OR   .   1   1   8    8    CYS   H     H   .   .   .   1   1   9    9    ASN   HB3    H   .   .   .   .   .   5.63   1.8   5.63   .   .   .   .   .   A   .   8    CYS   H     .   .   A   .   9    ASN   HB3    .   .   .   8    .   HN     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     123   1   OR   .   1   1   8    8    CYS   HA    H   .   .   .   1   1   10   10   TYR   HB2    H   .   .   .   .   .   4.86   1.8   4.86   .   .   .   .   .   A   .   8    CYS   HA    .   .   A   .   10   TYR   HB2    .   .   .   8    .   HA     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     123   2   OR   .   1   1   8    8    CYS   HA    H   .   .   .   1   1   10   10   TYR   HB3    H   .   .   .   .   .   4.86   1.8   4.86   .   .   .   .   .   A   .   8    CYS   HA    .   .   A   .   10   TYR   HB3    .   .   .   8    .   HA     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     124   1   OR   .   1   1   9    9    ASN   H     H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   4.31   1.8   4.31   .   .   .   .   .   A   .   9    ASN   H     .   .   A   .   8    CYS   HB2    .   .   .   9    .   HN     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     124   2   OR   .   1   1   9    9    ASN   H     H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   4.31   1.8   4.31   .   .   .   .   .   A   .   9    ASN   H     .   .   A   .   8    CYS   HB3    .   .   .   9    .   HN     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     125   1   OR   .   1   1   9    9    ASN   HA    H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   5.70   1.8   5.70   .   .   .   .   .   A   .   9    ASN   HA    .   .   A   .   8    CYS   HB2    .   .   .   9    .   HA     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     125   2   OR   .   1   1   9    9    ASN   HA    H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   5.70   1.8   5.70   .   .   .   .   .   A   .   9    ASN   HA    .   .   A   .   8    CYS   HB3    .   .   .   9    .   HA     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     126   1   OR   .   1   1   10   10   TYR   H     H   .   .   .   1   1   8    8    CYS   HB2    H   .   .   .   .   .   5.83   1.8   5.83   .   .   .   .   .   A   .   10   TYR   H     .   .   A   .   8    CYS   HB2    .   .   .   10   .   HN     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     126   2   OR   .   1   1   10   10   TYR   H     H   .   .   .   1   1   8    8    CYS   HB3    H   .   .   .   .   .   5.83   1.8   5.83   .   .   .   .   .   A   .   10   TYR   H     .   .   A   .   8    CYS   HB3    .   .   .   10   .   HN     .   .   .   .   .   8    .   HB*    .   .   rr_2mg6   1    
     127   1   OR   .   1   1   9    9    ASN   H     H   .   .   .   1   1   9    9    ASN   HB2    H   .   .   .   .   .   3.54   1.8   3.54   .   .   .   .   .   A   .   9    ASN   H     .   .   A   .   9    ASN   HB2    .   .   .   9    .   HN     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     127   2   OR   .   1   1   9    9    ASN   H     H   .   .   .   1   1   9    9    ASN   HB3    H   .   .   .   .   .   3.54   1.8   3.54   .   .   .   .   .   A   .   9    ASN   H     .   .   A   .   9    ASN   HB3    .   .   .   9    .   HN     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     128   1   OR   .   1   1   9    9    ASN   HA    H   .   .   .   1   1   9    9    ASN   HD21   H   .   .   .   .   .   4.43   1.8   4.43   .   .   .   .   .   A   .   9    ASN   HA    .   .   A   .   9    ASN   HD21   .   .   .   9    .   HA     .   .   .   .   .   9    .   HD2*   .   .   rr_2mg6   1    
     128   2   OR   .   1   1   9    9    ASN   HA    H   .   .   .   1   1   9    9    ASN   HD22   H   .   .   .   .   .   4.43   1.8   4.43   .   .   .   .   .   A   .   9    ASN   HA    .   .   A   .   9    ASN   HD22   .   .   .   9    .   HA     .   .   .   .   .   9    .   HD2*   .   .   rr_2mg6   1    
     129   1   OR   .   1   1   9    9    ASN   HA    H   .   .   .   1   1   10   10   TYR   HB2    H   .   .   .   .   .   5.28   1.8   5.28   .   .   .   .   .   A   .   9    ASN   HA    .   .   A   .   10   TYR   HB2    .   .   .   9    .   HA     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     129   2   OR   .   1   1   9    9    ASN   HA    H   .   .   .   1   1   10   10   TYR   HB3    H   .   .   .   .   .   5.28   1.8   5.28   .   .   .   .   .   A   .   9    ASN   HA    .   .   A   .   10   TYR   HB3    .   .   .   9    .   HA     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     130   1   OR   .   1   1   10   10   TYR   H     H   .   .   .   1   1   9    9    ASN   HB2    H   .   .   .   .   .   4.52   1.8   4.52   .   .   .   .   .   A   .   10   TYR   H     .   .   A   .   9    ASN   HB2    .   .   .   10   .   HN     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     130   2   OR   .   1   1   10   10   TYR   H     H   .   .   .   1   1   9    9    ASN   HB3    H   .   .   .   .   .   4.52   1.8   4.52   .   .   .   .   .   A   .   10   TYR   H     .   .   A   .   9    ASN   HB3    .   .   .   10   .   HN     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     131   1   OR   .   1   1   11   11   ASP   H     H   .   .   .   1   1   9    9    ASN   HB2    H   .   .   .   .   .   5.76   1.8   5.76   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   9    ASN   HB2    .   .   .   11   .   HN     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     131   2   OR   .   1   1   11   11   ASP   H     H   .   .   .   1   1   9    9    ASN   HB3    H   .   .   .   .   .   5.76   1.8   5.76   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   9    ASN   HB3    .   .   .   11   .   HN     .   .   .   .   .   9    .   HB*    .   .   rr_2mg6   1    
     132   1   OR   .   1   1   10   10   TYR   H     H   .   .   .   1   1   10   10   TYR   HB2    H   .   .   .   .   .   3.44   1.8   3.44   .   .   .   .   .   A   .   10   TYR   H     .   .   A   .   10   TYR   HB2    .   .   .   10   .   HN     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     132   2   OR   .   1   1   10   10   TYR   H     H   .   .   .   1   1   10   10   TYR   HB3    H   .   .   .   .   .   3.44   1.8   3.44   .   .   .   .   .   A   .   10   TYR   H     .   .   A   .   10   TYR   HB3    .   .   .   10   .   HN     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     133   1   OR   .   1   1   10   10   TYR   HA    H   .   .   .   1   1   10   10   TYR   HB2    H   .   .   .   .   .   2.75   1.8   2.75   .   .   .   .   .   A   .   10   TYR   HA    .   .   A   .   10   TYR   HB2    .   .   .   10   .   HA     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     133   2   OR   .   1   1   10   10   TYR   HA    H   .   .   .   1   1   10   10   TYR   HB3    H   .   .   .   .   .   2.75   1.8   2.75   .   .   .   .   .   A   .   10   TYR   HA    .   .   A   .   10   TYR   HB3    .   .   .   10   .   HA     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     134   1   OR   .   1   1   11   11   ASP   H     H   .   .   .   1   1   10   10   TYR   HB2    H   .   .   .   .   .   4.02   1.8   4.02   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   10   TYR   HB2    .   .   .   11   .   HN     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     134   2   OR   .   1   1   11   11   ASP   H     H   .   .   .   1   1   10   10   TYR   HB3    H   .   .   .   .   .   4.02   1.8   4.02   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   10   TYR   HB3    .   .   .   11   .   HN     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     135   1   OR   .   1   1   12   12   HIS   H     H   .   .   .   1   1   10   10   TYR   HB2    H   .   .   .   .   .   4.95   1.8   4.95   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   10   TYR   HB2    .   .   .   12   .   HN     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     135   2   OR   .   1   1   12   12   HIS   H     H   .   .   .   1   1   10   10   TYR   HB3    H   .   .   .   .   .   4.95   1.8   4.95   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   10   TYR   HB3    .   .   .   12   .   HN     .   .   .   .   .   10   .   HB*    .   .   rr_2mg6   1    
     136   1   OR   .   1   1   11   11   ASP   H     H   .   .   .   1   1   11   11   ASP   HB3    H   .   .   .   .   .   3.10   1.8   3.10   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   11   ASP   HB3    .   .   .   11   .   HN     .   .   .   .   .   11   .   HB*    .   .   rr_2mg6   1    
     136   2   OR   .   1   1   11   11   ASP   H     H   .   .   .   1   1   11   11   ASP   HB2    H   .   .   .   .   .   3.10   1.8   3.10   .   .   .   .   .   A   .   11   ASP   H     .   .   A   .   11   ASP   HB2    .   .   .   11   .   HN     .   .   .   .   .   11   .   HB*    .   .   rr_2mg6   1    
     137   1   OR   .   1   1   12   12   HIS   H     H   .   .   .   1   1   11   11   ASP   HB3    H   .   .   .   .   .   3.81   1.8   3.81   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   11   ASP   HB3    .   .   .   12   .   HN     .   .   .   .   .   11   .   HB*    .   .   rr_2mg6   1    
     137   2   OR   .   1   1   12   12   HIS   H     H   .   .   .   1   1   11   11   ASP   HB2    H   .   .   .   .   .   3.81   1.8   3.81   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   11   ASP   HB2    .   .   .   12   .   HN     .   .   .   .   .   11   .   HB*    .   .   rr_2mg6   1    
     138   1   OR   .   1   1   12   12   HIS   HD2   H   .   .   .   1   1   11   11   ASP   HB3    H   .   .   .   .   .   3.71   1.8   3.71   .   .   .   .   .   A   .   12   HIS   HD2   .   .   A   .   11   ASP   HB3    .   .   .   12   .   HD2    .   .   .   .   .   11   .   HB*    .   .   rr_2mg6   1    
     138   2   OR   .   1   1   12   12   HIS   HD2   H   .   .   .   1   1   11   11   ASP   HB2    H   .   .   .   .   .   3.71   1.8   3.71   .   .   .   .   .   A   .   12   HIS   HD2   .   .   A   .   11   ASP   HB2    .   .   .   12   .   HD2    .   .   .   .   .   11   .   HB*    .   .   rr_2mg6   1    
     139   1   OR   .   1   1   12   12   HIS   H     H   .   .   .   1   1   13   13   PRO   HD3    H   .   .   .   .   .   3.68   1.8   3.68   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   13   PRO   HD3    .   .   .   12   .   HN     .   .   .   .   .   13   .   HD*    .   .   rr_2mg6   1    
     139   2   OR   .   1   1   12   12   HIS   H     H   .   .   .   1   1   13   13   PRO   HD2    H   .   .   .   .   .   3.68   1.8   3.68   .   .   .   .   .   A   .   12   HIS   H     .   .   A   .   13   PRO   HD2    .   .   .   12   .   HN     .   .   .   .   .   13   .   HD*    .   .   rr_2mg6   1    
     140   1   OR   .   1   1   12   12   HIS   HA    H   .   .   .   1   1   13   13   PRO   HG2    H   .   .   .   .   .   5.05   1.8   5.05   .   .   .   .   .   A   .   12   HIS   HA    .   .   A   .   13   PRO   HG2    .   .   .   12   .   HA     .   .   .   .   .   13   .   HG*    .   .   rr_2mg6   1    
     140   2   OR   .   1   1   12   12   HIS   HA    H   .   .   .   1   1   13   13   PRO   HG3    H   .   .   .   .   .   5.05   1.8   5.05   .   .   .   .   .   A   .   12   HIS   HA    .   .   A   .   13   PRO   HG3    .   .   .   12   .   HA     .   .   .   .   .   13   .   HG*    .   .   rr_2mg6   1    
     141   1   OR   .   1   1   12   12   HIS   HA    H   .   .   .   1   1   13   13   PRO   HD3    H   .   .   .   .   .   2.83   1.8   2.83   .   .   .   .   .   A   .   12   HIS   HA    .   .   A   .   13   PRO   HD3    .   .   .   12   .   HA     .   .   .   .   .   13   .   HD*    .   .   rr_2mg6   1    
     141   2   OR   .   1   1   12   12   HIS   HA    H   .   .   .   1   1   13   13   PRO   HD2    H   .   .   .   .   .   2.83   1.8   2.83   .   .   .   .   .   A   .   12   HIS   HA    .   .   A   .   13   PRO   HD2    .   .   .   12   .   HA     .   .   .   .   .   13   .   HD*    .   .   rr_2mg6   1    
     142   1   OR   .   1   1   12   12   HIS   HB2   H   .   .   .   1   1   13   13   PRO   HD3    H   .   .   .   .   .   4.79   1.8   4.79   .   .   .   .   .   A   .   12   HIS   HB2   .   .   A   .   13   PRO   HD3    .   .   .   12   .   HB1    .   .   .   .   .   13   .   HD*    .   .   rr_2mg6   1    
     142   2   OR   .   1   1   12   12   HIS   HB2   H   .   .   .   1   1   13   13   PRO   HD2    H   .   .   .   .   .   4.79   1.8   4.79   .   .   .   .   .   A   .   12   HIS   HB2   .   .   A   .   13   PRO   HD2    .   .   .   12   .   HB1    .   .   .   .   .   13   .   HD*    .   .   rr_2mg6   1    
     143   1   OR   .   1   1   12   12   HIS   HB2   H   .   .   .   1   1   15   15   ILE   HG13   H   .   .   .   .   .   5.44   1.8   5.44   .   .   .   .   .   A   .   12   HIS   HB2   .   .   A   .   15   ILE   HG13   .   .   .   12   .   HB1    .   .   .   .   .   15   .   HG1*   .   .   rr_2mg6   1    
     143   2   OR   .   1   1   12   12   HIS   HB2   H   .   .   .   1   1   15   15   ILE   HG12   H   .   .   .   .   .   5.44   1.8   5.44   .   .   .   .   .   A   .   12   HIS   HB2   .   .   A   .   15   ILE   HG12   .   .   .   12   .   HB1    .   .   .   .   .   15   .   HG1*   .   .   rr_2mg6   1    
     144   1   OR   .   1   1   14   14   GLU   H     H   .   .   .   1   1   13   13   PRO   HD3    H   .   .   .   .   .   4.41   1.8   4.41   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   13   PRO   HD3    .   .   .   14   .   HN     .   .   .   .   .   13   .   HD*    .   .   rr_2mg6   1    
     144   2   OR   .   1   1   14   14   GLU   H     H   .   .   .   1   1   13   13   PRO   HD2    H   .   .   .   .   .   4.41   1.8   4.41   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   13   PRO   HD2    .   .   .   14   .   HN     .   .   .   .   .   13   .   HD*    .   .   rr_2mg6   1    
     145   1   OR   .   1   1   14   14   GLU   H     H   .   .   .   1   1   14   14   GLU   HB3    H   .   .   .   .   .   3.47   1.8   3.47   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   14   GLU   HB3    .   .   .   14   .   HN     .   .   .   .   .   14   .   HB*    .   .   rr_2mg6   1    
     145   2   OR   .   1   1   14   14   GLU   H     H   .   .   .   1   1   14   14   GLU   HB2    H   .   .   .   .   .   3.47   1.8   3.47   .   .   .   .   .   A   .   14   GLU   H     .   .   A   .   14   GLU   HB2    .   .   .   14   .   HN     .   .   .   .   .   14   .   HB*    .   .   rr_2mg6   1    
     146   1   OR   .   1   1   14   14   GLU   HA    H   .   .   .   1   1   14   14   GLU   HG3    H   .   .   .   .   .   3.34   1.8   3.34   .   .   .   .   .   A   .   14   GLU   HA    .   .   A   .   14   GLU   HG3    .   .   .   14   .   HA     .   .   .   .   .   14   .   HG*    .   .   rr_2mg6   1    
     146   2   OR   .   1   1   14   14   GLU   HA    H   .   .   .   1   1   14   14   GLU   HG2    H   .   .   .   .   .   3.34   1.8   3.34   .   .   .   .   .   A   .   14   GLU   HA    .   .   A   .   14   GLU   HG2    .   .   .   14   .   HA     .   .   .   .   .   14   .   HG*    .   .   rr_2mg6   1    
     147   1   OR   .   1   1   14   14   GLU   HB3   H   .   .   .   1   1   14   14   GLU   HG3    H   .   .   .   .   .   2.45   1.8   2.45   .   .   .   .   .   A   .   14   GLU   HB3   .   .   A   .   14   GLU   HG3    .   .   .   14   .   HB*    .   .   .   .   .   14   .   HG*    .   .   rr_2mg6   1    
     147   2   OR   .   1   1   14   14   GLU   HB2   H   .   .   .   1   1   14   14   GLU   HG3    H   .   .   .   .   .   2.45   1.8   2.45   .   .   .   .   .   A   .   14   GLU   HB2   .   .   A   .   14   GLU   HG3    .   .   .   14   .   HB*    .   .   .   .   .   14   .   HG*    .   .   rr_2mg6   1    
     147   3   OR   .   1   1   14   14   GLU   HG2   H   .   .   .   1   1   14   14   GLU   HB3    H   .   .   .   .   .   2.45   1.8   2.45   .   .   .   .   .   A   .   14   GLU   HG2   .   .   A   .   14   GLU   HB3    .   .   .   14   .   HG*    .   .   .   .   .   14   .   HB*    .   .   rr_2mg6   1    
     147   4   OR   .   1   1   14   14   GLU   HB2   H   .   .   .   1   1   14   14   GLU   HG2    H   .   .   .   .   .   2.45   1.8   2.45   .   .   .   .   .   A   .   14   GLU   HB2   .   .   A   .   14   GLU   HG2    .   .   .   14   .   HB*    .   .   .   .   .   14   .   HG*    .   .   rr_2mg6   1    
     148   1   OR   .   1   1   15   15   ILE   H     H   .   .   .   1   1   14   14   GLU   HB3    H   .   .   .   .   .   3.61   1.8   3.61   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   14   GLU   HB3    .   .   .   15   .   HN     .   .   .   .   .   14   .   HB*    .   .   rr_2mg6   1    
     148   2   OR   .   1   1   15   15   ILE   H     H   .   .   .   1   1   14   14   GLU   HB2    H   .   .   .   .   .   3.61   1.8   3.61   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   14   GLU   HB2    .   .   .   15   .   HN     .   .   .   .   .   14   .   HB*    .   .   rr_2mg6   1    
     149   1   OR   .   1   1   15   15   ILE   H     H   .   .   .   1   1   14   14   GLU   HG3    H   .   .   .   .   .   5.11   1.8   5.11   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   14   GLU   HG3    .   .   .   15   .   HN     .   .   .   .   .   14   .   HG*    .   .   rr_2mg6   1    
     149   2   OR   .   1   1   15   15   ILE   H     H   .   .   .   1   1   14   14   GLU   HG2    H   .   .   .   .   .   5.11   1.8   5.11   .   .   .   .   .   A   .   15   ILE   H     .   .   A   .   14   GLU   HG2    .   .   .   15   .   HN     .   .   .   .   .   14   .   HG*    .   .   rr_2mg6   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   NOE   1   1   1   5   rr_2mg6   1    

   stop_

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

     1    3   9     1   "Not handling restraint 9, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                                rr_2mg6   1    
     2    3   44    1   "Not handling restraint 44, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     3    3   57    1   "Not handling restraint 57, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked"                                rr_2mg6   1    
     4    3   60    1   "Not handling restraint 60, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     5    3   62    1   "Not handling restraint 62, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     6    3   63    1   "Not handling restraint 63, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     7    3   64    1   "Not handling restraint 64, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     8    3   74    1   "Not handling restraint 74, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     9    3   79    1   "Not handling restraint 79, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked"                                rr_2mg6   1    
     10   3   103   1   "Not handling restraint 103, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     11   3   103   1   "Not handling restraint 103, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     12   3   106   1   "Not handling restraint 106, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     13   3   106   1   "Not handling restraint 106, item 1, resonance(s) ' .3.HN' (nmrStar names) not linked"                               rr_2mg6   1    
     14   3   161   1   "Not handling restraint 161, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                              rr_2mg6   1    
     15   3   161   1   "Not handling restraint 161, item 1, resonance(s) ' .16.HN' (nmrStar names) not linked"                              rr_2mg6   1    
     16   3   162   1   "Not handling restraint 162, item 1, resonance(s) ' .16.HN' (nmrStar names),' .16.H1' (nmrStar names) not linked"    rr_2mg6   1    
     17   3   163   1   "Not handling restraint 163, item 1, resonance(s) ' .16.HN' (nmrStar names),' .16.H2' (nmrStar names) not linked"    rr_2mg6   1    
     18   3   164   1   "Not handling restraint 164, item 1, resonance(s) ' .16.H1' (nmrStar names),' .16.HB1' (nmrStar names) not linked"   rr_2mg6   1    
     19   3   165   1   "Not handling restraint 165, item 1, resonance(s) ' .16.H2' (nmrStar names),' .16.HB1' (nmrStar names) not linked"   rr_2mg6   1    
     20   3   166   1   "Not handling restraint 166, item 1, resonance(s) ' .16.H1' (nmrStar names) not linked"                              rr_2mg6   1    
     21   3   167   1   "Not handling restraint 167, item 1, resonance(s) ' .16.H2' (nmrStar names) not linked"                              rr_2mg6   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_2mg6
   _Gen_dist_constraint_list.ID                  1
   _Gen_dist_constraint_list.Constraint_type     'hydrogen bond'
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            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_2mg6   2    

   stop_

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

     1   'assign (resid 5 and name N ) (resid 5 and name HN ) (resid 2 and name O )'   2   1   4   29   rr_2mg6   2    
     2   'assign (resid 4 and name N ) (resid 4 and name HN ) (resid 1 and name O )'   5   1   7   29   rr_2mg6   2    

   stop_

save_

save_CNS/XPLOR_dihedral_4
   _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints
   _Torsion_angle_constraint_list.Sf_framecode        CNS/XPLOR_dihedral_4
   _Torsion_angle_constraint_list.Entry_ID            rr_2mg6
   _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            4

   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_2mg6   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   2    2    CYS   C   C   .   .   1   1   3    3    ABA   N    N   .   .   1   1   3    3    ABA   CA   C   .   .   1   1   3    3    ABA   C    C   .   -90.0    -30.0   .   .   .   A   .   2    CYS   C   .   .   A   .   3    ABA   N    .   .   A   .   3    ABA   CA   .   .   A   .   3    ABA   C    .   .   .   2    .   C   .   .   .   .   .   3    .   N    .   .   .   .   .   3    .   CA   .   .   .   .   .   3    .   C    .   .   rr_2mg6   1    
     2    .   .   1   1   9    9    ASN   C   C   .   .   1   1   10   10   TYR   N    N   .   .   1   1   10   10   TYR   CA   C   .   .   1   1   10   10   TYR   C    C   .   -90.0    -30.0   .   .   .   A   .   9    ASN   C   .   .   A   .   10   TYR   N    .   .   A   .   10   TYR   CA   .   .   A   .   10   TYR   C    .   .   .   9    .   C   .   .   .   .   .   10   .   N    .   .   .   .   .   10   .   CA   .   .   .   .   .   10   .   C    .   .   rr_2mg6   1    
     3    .   .   1   1   9    9    ASN   C   C   .   .   1   1   10   10   TYR   N    N   .   .   1   1   10   10   TYR   CA   C   .   .   1   1   10   10   TYR   C    C   .   -98.5    -45.1   .   .   .   A   .   9    ASN   C   .   .   A   .   10   TYR   N    .   .   A   .   10   TYR   CA   .   .   A   .   10   TYR   C    .   .   .   9    .   C   .   .   .   .   .   10   .   N    .   .   .   .   .   10   .   CA   .   .   .   .   .   10   .   C    .   .   rr_2mg6   1    
     4    .   .   1   1   11   11   ASP   C   C   .   .   1   1   12   12   HIS   N    N   .   .   1   1   12   12   HIS   CA   C   .   .   1   1   12   12   HIS   C    C   .   -160.0   -80.0   .   .   .   A   .   11   ASP   C   .   .   A   .   12   HIS   N    .   .   A   .   12   HIS   CA   .   .   A   .   12   HIS   C    .   .   .   11   .   C   .   .   .   .   .   12   .   N    .   .   .   .   .   12   .   CA   .   .   .   .   .   12   .   C    .   .   rr_2mg6   1    
     5    .   .   1   1   1    1    GLY   C   C   .   .   1   1   2    2    CYS   N    N   .   .   1   1   2    2    CYS   CA   C   .   .   1   1   2    2    CYS   C    C   .   -82.0    -42.0   .   .   .   A   .   1    GLY   C   .   .   A   .   2    CYS   N    .   .   A   .   2    CYS   CA   .   .   A   .   2    CYS   C    .   .   .   1    .   C   .   .   .   .   .   2    .   N    .   .   .   .   .   2    .   CA   .   .   .   .   .   2    .   C    .   .   rr_2mg6   1    
     6    .   .   1   1   2    2    CYS   N   N   .   .   1   1   2    2    CYS   CA   C   .   .   1   1   2    2    CYS   C    C   .   .   1   1   3    3    ABA   N    N   .   -54.9    -5.9    .   .   .   A   .   2    CYS   N   .   .   A   .   2    CYS   CA   .   .   A   .   2    CYS   C    .   .   A   .   3    ABA   N    .   .   .   2    .   N   .   .   .   .   .   2    .   CA   .   .   .   .   .   2    .   C    .   .   .   .   .   3    .   N    .   .   rr_2mg6   1    
     7    .   .   1   1   3    3    ABA   C   C   .   .   1   1   4    4    SER   N    N   .   .   1   1   4    4    SER   CA   C   .   .   1   1   4    4    SER   C    C   .   -109.2   -59.6   .   .   .   A   .   3    ABA   C   .   .   A   .   4    SER   N    .   .   A   .   4    SER   CA   .   .   A   .   4    SER   C    .   .   .   3    .   C   .   .   .   .   .   4    .   N    .   .   .   .   .   4    .   CA   .   .   .   .   .   4    .   C    .   .   rr_2mg6   1    
     8    .   .   1   1   4    4    SER   N   N   .   .   1   1   4    4    SER   CA   C   .   .   1   1   4    4    SER   C    C   .   .   1   1   5    5    ASP   N    N   .   -39.8    25.2    .   .   .   A   .   4    SER   N   .   .   A   .   4    SER   CA   .   .   A   .   4    SER   C    .   .   A   .   5    ASP   N    .   .   .   4    .   N   .   .   .   .   .   4    .   CA   .   .   .   .   .   4    .   C    .   .   .   .   .   5    .   N    .   .   rr_2mg6   1    
     9    .   .   1   1   6    6    PRO   N   N   .   .   1   1   6    6    PRO   CA   C   .   .   1   1   6    6    PRO   C    C   .   .   1   1   7    7    ARG   N    N   .   -53.3    2.7     .   .   .   A   .   6    PRO   N   .   .   A   .   6    PRO   CA   .   .   A   .   6    PRO   C    .   .   A   .   7    ARG   N    .   .   .   6    .   N   .   .   .   .   .   6    .   CA   .   .   .   .   .   6    .   C    .   .   .   .   .   7    .   N    .   .   rr_2mg6   1    
     10   .   .   1   1   6    6    PRO   C   C   .   .   1   1   7    7    ARG   N    N   .   .   1   1   7    7    ARG   CA   C   .   .   1   1   7    7    ARG   C    C   .   -91.7    -45.5   .   .   .   A   .   6    PRO   C   .   .   A   .   7    ARG   N    .   .   A   .   7    ARG   CA   .   .   A   .   7    ARG   C    .   .   .   6    .   C   .   .   .   .   .   7    .   N    .   .   .   .   .   7    .   CA   .   .   .   .   .   7    .   C    .   .   rr_2mg6   1    
     11   .   .   1   1   7    7    ARG   N   N   .   .   1   1   7    7    ARG   CA   C   .   .   1   1   7    7    ARG   C    C   .   .   1   1   8    8    CYS   N    N   .   -44.0    -3.8    .   .   .   A   .   7    ARG   N   .   .   A   .   7    ARG   CA   .   .   A   .   7    ARG   C    .   .   A   .   8    CYS   N    .   .   .   7    .   N   .   .   .   .   .   7    .   CA   .   .   .   .   .   7    .   C    .   .   .   .   .   8    .   N    .   .   rr_2mg6   1    
     12   .   .   1   1   7    7    ARG   C   C   .   .   1   1   8    8    CYS   N    N   .   .   1   1   8    8    CYS   CA   C   .   .   1   1   8    8    CYS   C    C   .   -115.1   -32.5   .   .   .   A   .   7    ARG   C   .   .   A   .   8    CYS   N    .   .   A   .   8    CYS   CA   .   .   A   .   8    CYS   C    .   .   .   7    .   C   .   .   .   .   .   8    .   N    .   .   .   .   .   8    .   CA   .   .   .   .   .   8    .   C    .   .   rr_2mg6   1    
     13   .   .   1   1   8    8    CYS   N   N   .   .   1   1   8    8    CYS   CA   C   .   .   1   1   8    8    CYS   C    C   .   .   1   1   9    9    ASN   N    N   .   -61.3    1.5     .   .   .   A   .   8    CYS   N   .   .   A   .   8    CYS   CA   .   .   A   .   8    CYS   C    .   .   A   .   9    ASN   N    .   .   .   8    .   N   .   .   .   .   .   8    .   CA   .   .   .   .   .   8    .   C    .   .   .   .   .   9    .   N    .   .   rr_2mg6   1    
     14   .   .   1   1   8    8    CYS   C   C   .   .   1   1   9    9    ASN   N    N   .   .   1   1   9    9    ASN   CA   C   .   .   1   1   9    9    ASN   C    C   .   -84.9    -44.9   .   .   .   A   .   8    CYS   C   .   .   A   .   9    ASN   N    .   .   A   .   9    ASN   CA   .   .   A   .   9    ASN   C    .   .   .   8    .   C   .   .   .   .   .   9    .   N    .   .   .   .   .   9    .   CA   .   .   .   .   .   9    .   C    .   .   rr_2mg6   1    
     15   .   .   1   1   9    9    ASN   N   N   .   .   1   1   9    9    ASN   CA   C   .   .   1   1   9    9    ASN   C    C   .   .   1   1   10   10   TYR   N    N   .   -59.4    -19.4   .   .   .   A   .   9    ASN   N   .   .   A   .   9    ASN   CA   .   .   A   .   9    ASN   C    .   .   A   .   10   TYR   N    .   .   .   9    .   N   .   .   .   .   .   9    .   CA   .   .   .   .   .   9    .   C    .   .   .   .   .   10   .   N    .   .   rr_2mg6   1    
     16   .   .   1   1   10   10   TYR   N   N   .   .   1   1   10   10   TYR   CA   C   .   .   1   1   10   10   TYR   C    C   .   .   1   1   11   11   ASP   N    N   .   -62.1    -4.1    .   .   .   A   .   10   TYR   N   .   .   A   .   10   TYR   CA   .   .   A   .   10   TYR   C    .   .   A   .   11   ASP   N    .   .   .   10   .   N   .   .   .   .   .   10   .   CA   .   .   .   .   .   10   .   C    .   .   .   .   .   11   .   N    .   .   rr_2mg6   1    
     17   .   .   1   1   10   10   TYR   C   C   .   .   1   1   11   11   ASP   N    N   .   .   1   1   11   11   ASP   CA   C   .   .   1   1   11   11   ASP   C    C   .   -136.2   -58.4   .   .   .   A   .   10   TYR   C   .   .   A   .   11   ASP   N    .   .   A   .   11   ASP   CA   .   .   A   .   11   ASP   C    .   .   .   10   .   C   .   .   .   .   .   11   .   N    .   .   .   .   .   11   .   CA   .   .   .   .   .   11   .   C    .   .   rr_2mg6   1    
     18   .   .   1   1   11   11   ASP   N   N   .   .   1   1   11   11   ASP   CA   C   .   .   1   1   11   11   ASP   C    C   .   .   1   1   12   12   HIS   N    N   .   -43.2    36.2    .   .   .   A   .   11   ASP   N   .   .   A   .   11   ASP   CA   .   .   A   .   11   ASP   C    .   .   A   .   12   HIS   N    .   .   .   11   .   N   .   .   .   .   .   11   .   CA   .   .   .   .   .   11   .   C    .   .   .   .   .   12   .   N    .   .   rr_2mg6   1    
     19   .   .   1   1   5    5    ASP   N   N   .   .   1   1   5    5    ASP   CA   C   .   .   1   1   5    5    ASP   CB   C   .   .   1   1   5    5    ASP   CG   C   .   120.0    240.0   .   .   .   A   .   5    ASP   N   .   .   A   .   5    ASP   CA   .   .   A   .   5    ASP   CB   .   .   A   .   5    ASP   CG   .   .   .   5    .   N   .   .   .   .   .   5    .   CA   .   .   .   .   .   5    .   CB   .   .   .   .   .   5    .   CG   .   .   rr_2mg6   1    
     20   .   .   1   1   12   12   HIS   N   N   .   .   1   1   12   12   HIS   CA   C   .   .   1   1   12   12   HIS   CB   C   .   .   1   1   12   12   HIS   CG   C   .   -120.0   0.0     .   .   .   A   .   12   HIS   N   .   .   A   .   12   HIS   CA   .   .   A   .   12   HIS   CB   .   .   A   .   12   HIS   CG   .   .   .   12   .   N   .   .   .   .   .   12   .   CA   .   .   .   .   .   12   .   CB   .   .   .   .   .   12   .   CG   .   .   rr_2mg6   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                      1    1   1    6    rr_2mg6   1    
     2   'PHI and PSI (TALOS+)'   11   1   11   23   rr_2mg6   1    
     3   CHI1                     46   1   46   7    rr_2mg6   1    

   stop_

   loop_
      _TA_constraint_conv_err.ID
      _TA_constraint_conv_err.Parse_file_ID
      _TA_constraint_conv_err.Parse_file_constraint_ID
      _TA_constraint_conv_err.Conv_error_type
      _TA_constraint_conv_err.Conv_error_note
      _TA_constraint_conv_err.Entry_ID
      _TA_constraint_conv_err.Torsion_angle_constraint_list_ID

     1   4   19   1   "Not handling restraint 19, resonance(s) ' .2.CG' (nmrStar names) not linked"   rr_2mg6   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_2mg6
   _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 TOXIN 28-OCT-13 2MG6 *TITLE NON-REDUCIBLE ANALOGUES OF ALPHA-CONOTOXIN VC1.1: [3,16]-TRANS DICARBA
*TITLE 2 VC1.1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-CONOTOXIN VC1A; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: ACV1, ALPHA-VC1A, VC1.1; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE; *SOURCE 4 ORGANISM_COMMON: QUEEN VICTORIA CONE SNAIL; *SOURCE 5 ORGANISM_TAXID: 319920; *SOURCE 6 OTHER_DETAILS: VENOM *KEYWDS DICARBA, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR S.D.ROBINSON, C.A.MACRAILD, B.J.VAN LIEROP, A.J.ROBINSON, R.S.NORTON *REVDAT 1 18-DEC-13 2MG6 0
;

save_
