data_wwPDB_remediated_restraints_file_for_PDB_entry_2ih6

# This wwPDB archive file contains, for PDB entry 2ih6:
#
# - 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_2ih6
   _Entry.Title                        'wwPDB remediated NMR restraints for PDB entry 2ih6'
   _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 2ih6'
   _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   2ih6   'Master copy'   rr_2ih6    

   stop_

save_

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

save_assembly
   _Assembly.Sf_category           assembly
   _Assembly.Sf_framecode          assembly
   _Assembly.Entry_ID              rr_2ih6
   _Assembly.ID                    1
   _Assembly.Name                  2ih6
   _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        1206.4296

   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   'Lambda conotoxin CMrVIA'   1   $Lambda_conotoxin_CMrVIA   A   .   no   .   .   .   .   .   .   rr_2ih6   1    

   stop_

save_

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

save_Lambda_conotoxin_CMrVIA
   _Entity.Sf_category                      entity
   _Entity.Sf_framecode                     Lambda_conotoxin_CMrVIA
   _Entity.Entry_ID                         rr_2ih6
   _Entity.ID                               1
   _Entity.Name                             Lambda_conotoxin_CMrVIA
   _Entity.Type                             polymer
   _Entity.Polymer_type                     polypeptide(L)
   _Entity.Polymer_strand_ID                A
   _Entity.Polymer_seq_one_letter_code      VCCGYPLCHXC
   _Entity.Ambiguous_conformational_states  no
   _Entity.Ambiguous_chem_comp_sites        no
   _Entity.Nstd_monomer                     yes
   _Entity.Nstd_chirality                   no
   _Entity.Nstd_linkage                     no
   _Entity.Number_of_monomers               11
   _Entity.Paramagnetic                     no
   _Entity.Thiol_state                      'all free'
   _Entity.Parent_entity_ID                 1
   _Entity.Formula_weight                   1206.4296

   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    .   VAL   .   rr_2ih6   1    
     2    .   CYS   .   rr_2ih6   1    
     3    .   CYS   .   rr_2ih6   1    
     4    .   GLY   .   rr_2ih6   1    
     5    .   TYR   .   rr_2ih6   1    
     6    .   PRO   .   rr_2ih6   1    
     7    .   LEU   .   rr_2ih6   1    
     8    .   CYS   .   rr_2ih6   1    
     9    .   HIS   .   rr_2ih6   1    
     10   .   HYP   .   rr_2ih6   1    
     11   .   CYS   .   rr_2ih6   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

     .   VAL   1    1    rr_2ih6   1    
     .   CYS   2    2    rr_2ih6   1    
     .   CYS   3    3    rr_2ih6   1    
     .   GLY   4    4    rr_2ih6   1    
     .   TYR   5    5    rr_2ih6   1    
     .   PRO   6    6    rr_2ih6   1    
     .   LEU   7    7    rr_2ih6   1    
     .   CYS   8    8    rr_2ih6   1    
     .   HIS   9    9    rr_2ih6   1    
     .   HYP   10   10   rr_2ih6   1    
     .   CYS   11   11   rr_2ih6   1    

   stop_

save_

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

save_chem_comp_HYP
   _Chem_comp.Sf_category                  chem_comp
   _Chem_comp.Sf_framecode                 chem_comp_HYP
   _Chem_comp.Entry_ID                     rr_2ih6
   _Chem_comp.ID                           HYP
   _Chem_comp.Name                         4-HYDROXYPROLINE
   _Chem_comp.Type                         'L-peptide linking'
   _Chem_comp.PDB_code                     HYP
   _Chem_comp.Std_deriv_one_letter_code    P
   _Chem_comp.Std_deriv_three_letter_code  Pro
   _Chem_comp.Std_deriv_PDB_code           PRO
   _Chem_comp.Std_deriv_chem_comp_name     PROLINE
   _Chem_comp.Formal_charge                0
   _Chem_comp.Paramagnetic                 no
   _Chem_comp.Aromatic                     no
   _Chem_comp.Formula                      'C5 H7 N O2'
   _Chem_comp.Formula_weight               113.1158

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

     (4R)-4-hydroxy-L-proline   name   rr_2ih6   HYP    

   stop_

save_


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

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

save_conformer_statistics
   _Conformer_stat_list.Sf_category                    conformer_statistics
   _Conformer_stat_list.Sf_framecode                   conformer_statistics
   _Conformer_stat_list.Entry_ID                       rr_2ih6
   _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  16

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_2ih6
   _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   2ih6.mr   .   .   'MR format'   1   comment                  'Not applicable'   'Not applicable'   0     rr_2ih6   1    
     1   2ih6.mr   .   .   DISCOVER      2   distance                 NOE                simple             110   rr_2ih6   1    
     1   2ih6.mr   .   .   'MR format'   3   'nomenclature mapping'   'Not applicable'   'Not applicable'   0     rr_2ih6   1    

   stop_

save_

save_Discover_distance_constraints_2
   _Gen_dist_constraint_list.Sf_category         general_distance_constraints
   _Gen_dist_constraint_list.Sf_framecode        Discover_distance_constraints_2
   _Gen_dist_constraint_list.Entry_ID            rr_2ih6
   _Gen_dist_constraint_list.ID                  1
   _Gen_dist_constraint_list.Constraint_type     NOE
   _Gen_dist_constraint_list.Details             'Generated by Wattos'
   _Gen_dist_constraint_list.Constraint_file_ID  1
   _Gen_dist_constraint_list.Block_ID            2

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

     .   .   .   .   rr_2ih6   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   5    5    TYR   HB2   H   .   .   .   1   1   5    5    TYR   HB3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   5    TYR   HB2   .   .   A   .   5    TYR   HB3   .   1   .   5    TYR    HB1    .   .   .   1   .   5    TYR    HB2    .   .   rr_2ih6   1    
     2     1   .    .   1   1   6    6    PRO   HD3   H   .   .   .   1   1   6    6    PRO   HB2   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HD3   .   .   A   .   6    PRO   HB2   .   1   .   6    PRO    HD2    .   .   .   1   .   6    PRO    HB1    .   .   rr_2ih6   1    
     3     1   .    .   1   1   4    4    GLY   HA2   H   .   .   .   1   1   4    4    GLY   HA3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   4    GLY   HA2   .   .   A   .   4    GLY   HA3   .   1   .   4    GLY    HA1    .   .   .   1   .   4    GLY    HA2    .   .   rr_2ih6   1    
     4     1   OR   .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   6    6    PRO   HB3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   6    PRO   HB3   .   1   .   6    PRO    HG1    .   .   .   1   .   6    PRO    HB*    .   .   rr_2ih6   1    
     4     2   OR   .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   6    6    PRO   HB2   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   6    PRO   HB2   .   1   .   6    PRO    HG1    .   .   .   1   .   6    PRO    HB*    .   .   rr_2ih6   1    
     5     1   .    .   1   1   1    1    VAL   MG1   H   .   .   .   1   1   1    1    VAL   HB    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   1    VAL   MG1   .   .   A   .   1    VAL   HB    .   1   .   1    VALn   HG2*   .   .   .   1   .   1    VALn   HB     .   .   rr_2ih6   1    
     6     1   .    .   1   1   10   10   HYP   HB2   H   .   .   .   1   1   10   10   HYP   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   10   HYP   HB2   .   .   A   .   10   HYP   HA    .   1   .   10   PRO    HB2    .   .   .   1   .   10   PRO    HA     .   .   rr_2ih6   1    
     7     1   .    .   1   1   1    1    VAL   HB    H   .   .   .   1   1   1    1    VAL   MG2   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   1    VAL   HB    .   .   A   .   1    VAL   MG2   .   1   .   1    VALn   HB     .   .   .   1   .   1    VALn   HG1*   .   .   rr_2ih6   1    
     8     1   .    .   1   1   7    7    LEU   HG    H   .   .   .   1   1   7    7    LEU   MD1   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   7    LEU   HG    .   .   A   .   7    LEU   MD1   .   1   .   7    LEU    HG     .   .   .   1   .   7    LEU    HD11   .   .   rr_2ih6   1    
     9     1   .    .   1   1   5    5    TYR   HB3   H   .   .   .   1   1   5    5    TYR   QD    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   5    TYR   HB3   .   .   A   .   5    TYR   QD    .   1   .   5    TYR    HB2    .   .   .   1   .   5    TYR    HD*    .   .   rr_2ih6   1    
     10    1   .    .   1   1   6    6    PRO   HD2   H   .   .   .   1   1   6    6    PRO   HB3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HD2   .   .   A   .   6    PRO   HB3   .   1   .   6    PRO    HD1    .   .   .   1   .   6    PRO    HB2    .   .   rr_2ih6   1    
     11    1   .    .   1   1   6    6    PRO   HD3   H   .   .   .   1   1   6    6    PRO   HG3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HD3   .   .   A   .   6    PRO   HG3   .   1   .   6    PRO    HD2    .   .   .   1   .   6    PRO    HG2    .   .   rr_2ih6   1    
     12    1   .    .   1   1   7    7    LEU   HG    H   .   .   .   1   1   7    7    LEU   MD2   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   7    LEU   HG    .   .   A   .   7    LEU   MD2   .   1   .   7    LEU    HG     .   .   .   1   .   7    LEU    HD2*   .   .   rr_2ih6   1    
     13    1   .    .   1   1   5    5    TYR   QD    H   .   .   .   1   1   6    6    PRO   HB3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   5    TYR   QD    .   .   A   .   6    PRO   HB3   .   1   .   5    TYR    HD*    .   .   .   1   .   6    PRO    HB2    .   .   rr_2ih6   1    
     14    1   .    .   1   1   6    6    PRO   HB2   H   .   .   .   1   1   5    5    TYR   QE    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HB2   .   .   A   .   5    TYR   QE    .   1   .   6    PRO    HB1    .   .   .   1   .   5    TYR    HE*    .   .   rr_2ih6   1    
     15    1   .    .   1   1   6    6    PRO   HG3   H   .   .   .   1   1   6    6    PRO   HB3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HG3   .   .   A   .   6    PRO   HB3   .   1   .   6    PRO    HG2    .   .   .   1   .   6    PRO    HB2    .   .   rr_2ih6   1    
     16    1   .    .   1   1   7    7    LEU   MD2   H   .   .   .   1   1   7    7    LEU   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   7    LEU   MD2   .   .   A   .   7    LEU   HA    .   1   .   7    LEU    HD2*   .   .   .   1   .   7    LEU    HA     .   .   rr_2ih6   1    
     17    1   .    .   1   1   1    1    VAL   HB    H   .   .   .   1   1   1    1    VAL   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   1    VAL   HB    .   .   A   .   1    VAL   HA    .   1   .   1    VALn   HB     .   .   .   1   .   1    VALn   HA     .   .   rr_2ih6   1    
     18    1   .    .   1   1   4    4    GLY   HA3   H   .   .   .   1   1   4    4    GLY   H     H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   4    GLY   HA3   .   .   A   .   4    GLY   H     .   1   .   4    GLY    HA2    .   .   .   1   .   4    GLY    HN     .   .   rr_2ih6   1    
     19    1   .    .   1   1   7    7    LEU   HA    H   .   .   .   1   1   7    7    LEU   HB3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   7    LEU   HA    .   .   A   .   7    LEU   HB3   .   1   .   7    LEU    HA     .   .   .   1   .   7    LEU    HB2    .   .   rr_2ih6   1    
     20    1   .    .   1   1   10   10   HYP   HA    H   .   .   .   1   1   10   10   HYP   HG    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   10   HYP   HA    .   .   A   .   10   HYP   HG    .   1   .   10   PRO    HA     .   .   .   1   .   10   PRO    HG     .   .   rr_2ih6   1    
     21    1   .    .   1   1   5    5    TYR   HB2   H   .   .   .   1   1   5    5    TYR   H     H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   5    TYR   HB2   .   .   A   .   5    TYR   H     .   1   .   5    TYR    HB1    .   .   .   1   .   5    TYR    HN     .   .   rr_2ih6   1    
     22    1   .    .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   6    6    PRO   HD2   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   6    PRO   HD2   .   1   .   6    PRO    HG1    .   .   .   1   .   6    PRO    HD1    .   .   rr_2ih6   1    
     23    1   .    .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   6    6    PRO   HG3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   6    PRO   HG3   .   1   .   6    PRO    HG1    .   .   .   1   .   6    PRO    HG2    .   .   rr_2ih6   1    
     24    1   .    .   1   1   7    7    LEU   HA    H   .   .   .   1   1   7    7    LEU   HB2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   HA    .   .   A   .   7    LEU   HB2   .   1   .   7    LEU    HA     .   .   .   1   .   7    LEU    HB1    .   .   rr_2ih6   1    
     25    1   OR   .   1   1   9    9    HIS   HD2   H   .   .   .   1   1   9    9    HIS   HB2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   9    HIS   HD2   .   .   A   .   9    HIS   HB2   .   1   .   9    HIS    HD2    .   .   .   1   .   9    HIS    HB*    .   .   rr_2ih6   1    
     25    2   OR   .   1   1   9    9    HIS   HD2   H   .   .   .   1   1   9    9    HIS   HB3   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   9    HIS   HD2   .   .   A   .   9    HIS   HB3   .   1   .   9    HIS    HD2    .   .   .   1   .   9    HIS    HB*    .   .   rr_2ih6   1    
     26    1   OR   .   1   1   7    7    LEU   MD1   H   .   .   .   1   1   7    7    LEU   HB2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   MD1   .   .   A   .   7    LEU   HB2   .   1   .   7    LEU    HD11   .   .   .   1   .   7    LEU    HB*    .   .   rr_2ih6   1    
     26    2   OR   .   1   1   7    7    LEU   MD1   H   .   .   .   1   1   7    7    LEU   HB3   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   MD1   .   .   A   .   7    LEU   HB3   .   1   .   7    LEU    HD11   .   .   .   1   .   7    LEU    HB*    .   .   rr_2ih6   1    
     27    1   .    .   1   1   5    5    TYR   H     H   .   .   .   1   1   6    6    PRO   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   5    TYR   H     .   .   A   .   6    PRO   HA    .   1   .   5    TYR    HN     .   .   .   1   .   6    PRO    HA     .   .   rr_2ih6   1    
     28    1   OR   .   1   1   9    9    HIS   HA    H   .   .   .   1   1   9    9    HIS   HB2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   9    HIS   HA    .   .   A   .   9    HIS   HB2   .   1   .   9    HIS    HA     .   .   .   1   .   9    HIS    HB*    .   .   rr_2ih6   1    
     28    2   OR   .   1   1   9    9    HIS   HB3   H   .   .   .   1   1   9    9    HIS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   9    HIS   HB3   .   .   A   .   9    HIS   HA    .   1   .   9    HIS    HB*    .   .   .   1   .   9    HIS    HA     .   .   rr_2ih6   1    
     29    1   .    .   1   1   6    6    PRO   HB2   H   .   .   .   1   1   6    6    PRO   HD2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   6    PRO   HB2   .   .   A   .   6    PRO   HD2   .   1   .   6    PRO    HB1    .   .   .   1   .   6    PRO    HD1    .   .   rr_2ih6   1    
     30    1   .    .   1   1   1    1    VAL   MG1   H   .   .   .   1   1   1    1    VAL   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   1    VAL   MG1   .   .   A   .   1    VAL   HA    .   1   .   1    VALn   HG2*   .   .   .   1   .   1    VALn   HA     .   .   rr_2ih6   1    
     31    1   .    .   1   1   6    6    PRO   HD3   H   .   .   .   1   1   6    6    PRO   HB3   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   6    PRO   HD3   .   .   A   .   6    PRO   HB3   .   1   .   6    PRO    HD2    .   .   .   1   .   6    PRO    HB2    .   .   rr_2ih6   1    
     32    1   .    .   1   1   7    7    LEU   HG    H   .   .   .   1   1   7    7    LEU   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   HG    .   .   A   .   7    LEU   HA    .   1   .   7    LEU    HG     .   .   .   1   .   7    LEU    HA     .   .   rr_2ih6   1    
     33    1   .    .   1   1   10   10   HYP   HG    H   .   .   .   1   1   9    9    HIS   HB3   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   10   HYP   HG    .   .   A   .   9    HIS   HB3   .   1   .   10   PRO    HG     .   .   .   1   .   9    HIS    HB2    .   .   rr_2ih6   1    
     34    1   .    .   1   1   6    6    PRO   HA    H   .   .   .   1   1   7    7    LEU   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   6    PRO   HA    .   .   A   .   7    LEU   H     .   1   .   6    PRO    HA     .   .   .   1   .   7    LEU    HN     .   .   rr_2ih6   1    
     35    1   .    .   1   1   6    6    PRO   HD3   H   .   .   .   1   1   6    6    PRO   HG2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   6    PRO   HD3   .   .   A   .   6    PRO   HG2   .   1   .   6    PRO    HD2    .   .   .   1   .   6    PRO    HG1    .   .   rr_2ih6   1    
     36    1   .    .   1   1   7    7    LEU   H     H   .   .   .   1   1   7    7    LEU   HB2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   H     .   .   A   .   7    LEU   HB2   .   1   .   7    LEU    HN     .   .   .   1   .   7    LEU    HB1    .   .   rr_2ih6   1    
     37    1   .    .   1   1   7    7    LEU   HA    H   .   .   .   1   1   7    7    LEU   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   HA    .   .   A   .   7    LEU   H     .   1   .   7    LEU    HA     .   .   .   1   .   7    LEU    HN     .   .   rr_2ih6   1    
     38    1   .    .   1   1   9    9    HIS   HA    H   .   .   .   1   1   9    9    HIS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   9    HIS   HA    .   .   A   .   9    HIS   H     .   1   .   9    HIS    HA     .   .   .   1   .   9    HIS    HN     .   .   rr_2ih6   1    
     39    1   OR   .   1   1   10   10   HYP   HG    H   .   .   .   1   1   9    9    HIS   HB2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   10   HYP   HG    .   .   A   .   9    HIS   HB2   .   1   .   10   PRO    HG     .   .   .   1   .   9    HIS    HB*    .   .   rr_2ih6   1    
     39    2   OR   .   1   1   10   10   HYP   HG    H   .   .   .   1   1   9    9    HIS   HB3   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   10   HYP   HG    .   .   A   .   9    HIS   HB3   .   1   .   10   PRO    HG     .   .   .   1   .   9    HIS    HB*    .   .   rr_2ih6   1    
     40    1   .    .   1   1   1    1    VAL   HB    H   .   .   .   1   1   5    5    TYR   QD    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   1    VAL   HB    .   .   A   .   5    TYR   QD    .   1   .   1    VALn   HB     .   .   .   1   .   5    TYR    HD*    .   .   rr_2ih6   1    
     41    1   .    .   1   1   5    5    TYR   HB3   H   .   .   .   1   1   5    5    TYR   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   5    TYR   HB3   .   .   A   .   5    TYR   H     .   1   .   5    TYR    HB2    .   .   .   1   .   5    TYR    HN     .   .   rr_2ih6   1    
     42    1   .    .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   1    1    VAL   HB    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   1    VAL   HB    .   1   .   6    PRO    HG1    .   .   .   1   .   1    VALn   HB     .   .   rr_2ih6   1    
     43    1   .    .   1   1   4    4    GLY   HA3   H   .   .   .   1   1   5    5    TYR   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   4    GLY   HA3   .   .   A   .   5    TYR   H     .   1   .   4    GLY    HA2    .   .   .   1   .   5    TYR    HN     .   .   rr_2ih6   1    
     44    1   .    .   1   1   7    7    LEU   MD1   H   .   .   .   1   1   7    7    LEU   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   MD1   .   .   A   .   7    LEU   HA    .   1   .   7    LEU    HD11   .   .   .   1   .   7    LEU    HA     .   .   rr_2ih6   1    
     45    1   OR   .   1   1   7    7    LEU   MD2   H   .   .   .   1   1   7    7    LEU   HB2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   MD2   .   .   A   .   7    LEU   HB2   .   1   .   7    LEU    HD2*   .   .   .   1   .   7    LEU    HB*    .   .   rr_2ih6   1    
     45    2   OR   .   1   1   7    7    LEU   MD2   H   .   .   .   1   1   7    7    LEU   HB3   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   MD2   .   .   A   .   7    LEU   HB3   .   1   .   7    LEU    HD2*   .   .   .   1   .   7    LEU    HB*    .   .   rr_2ih6   1    
     46    1   .    .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   7    7    LEU   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   7    LEU   H     .   1   .   6    PRO    HG1    .   .   .   1   .   7    LEU    HN     .   .   rr_2ih6   1    
     47    1   .    .   1   1   7    7    LEU   HB3   H   .   .   .   1   1   7    7    LEU   H     H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   7    LEU   HB3   .   .   A   .   7    LEU   H     .   1   .   7    LEU    HB2    .   .   .   1   .   7    LEU    HN     .   .   rr_2ih6   1    
     48    1   .    .   1   1   5    5    TYR   QD    H   .   .   .   1   1   4    4    GLY   H     H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   5    TYR   QD    .   .   A   .   4    GLY   H     .   1   .   5    TYR    HD*    .   .   .   1   .   4    GLY    HN     .   .   rr_2ih6   1    
     49    1   .    .   1   1   10   10   HYP   HG    H   .   .   .   1   1   9    9    HIS   HA    H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   10   HYP   HG    .   .   A   .   9    HIS   HA    .   1   .   10   PRO    HG     .   .   .   1   .   9    HIS    HA     .   .   rr_2ih6   1    
     50    1   .    .   1   1   4    4    GLY   HA2   H   .   .   .   1   1   4    4    GLY   H     H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   4    GLY   HA2   .   .   A   .   4    GLY   H     .   1   .   4    GLY    HA1    .   .   .   1   .   4    GLY    HN     .   .   rr_2ih6   1    
     51    1   .    .   1   1   7    7    LEU   HG    H   .   .   .   1   1   7    7    LEU   H     H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   7    LEU   HG    .   .   A   .   7    LEU   H     .   1   .   7    LEU    HG     .   .   .   1   .   7    LEU    HN     .   .   rr_2ih6   1    
     52    1   .    .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   6    6    PRO   HB3   H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   6    PRO   HB3   .   1   .   6    PRO    HG1    .   .   .   1   .   6    PRO    HB2    .   .   rr_2ih6   1    
     53    1   .    .   1   1   6    6    PRO   HD3   H   .   .   .   1   1   5    5    TYR   QE    H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   6    PRO   HD3   .   .   A   .   5    TYR   QE    .   1   .   6    PRO    HD2    .   .   .   1   .   5    TYR    HE*    .   .   rr_2ih6   1    
     54    1   .    .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   1    1    VAL   MG2   H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   1    VAL   MG2   .   1   .   6    PRO    HG1    .   .   .   1   .   1    VALn   HG1*   .   .   rr_2ih6   1    
     55    1   OR   .   1   1   9    9    HIS   H     H   .   .   .   1   1   9    9    HIS   HB2   H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   9    HIS   H     .   .   A   .   9    HIS   HB2   .   1   .   9    HIS    HN     .   .   .   1   .   9    HIS    HB*    .   .   rr_2ih6   1    
     55    2   OR   .   1   1   9    9    HIS   HB3   H   .   .   .   1   1   9    9    HIS   H     H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   9    HIS   HB3   .   .   A   .   9    HIS   H     .   1   .   9    HIS    HB*    .   .   .   1   .   9    HIS    HN     .   .   rr_2ih6   1    
     56    1   .    .   1   1   6    6    PRO   HG3   H   .   .   .   1   1   7    7    LEU   H     H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   6    PRO   HG3   .   .   A   .   7    LEU   H     .   1   .   6    PRO    HG2    .   .   .   1   .   7    LEU    HN     .   .   rr_2ih6   1    
     57    1   .    .   1   1   5    5    TYR   QD    H   .   .   .   1   1   7    7    LEU   MD2   H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   5    TYR   QD    .   .   A   .   7    LEU   MD2   .   1   .   5    TYR    HD*    .   .   .   1   .   7    LEU    HD2*   .   .   rr_2ih6   1    
     58    1   .    .   1   1   7    7    LEU   MD1   H   .   .   .   1   1   5    5    TYR   QD    H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   7    LEU   MD1   .   .   A   .   5    TYR   QD    .   1   .   7    LEU    HD11   .   .   .   1   .   5    LEU    HD*    .   .   rr_2ih6   1    
     59    1   .    .   1   1   9    9    HIS   HD2   H   .   .   .   1   1   9    9    HIS   HE1   H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   9    HIS   HD2   .   .   A   .   9    HIS   HE1   .   1   .   9    HIS    HD2    .   .   .   1   .   9    HIS    HE1    .   .   rr_2ih6   1    
     60    1   .    .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   1    1    VAL   MG1   H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   1    VAL   MG1   .   1   .   6    PRO    HG1    .   .   .   1   .   1    VALn   HG2*   .   .   rr_2ih6   1    
     61    1   .    .   1   1   4    4    GLY   HA2   H   .   .   .   1   1   5    5    TYR   H     H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   4    GLY   HA2   .   .   A   .   5    TYR   H     .   1   .   4    GLY    HA1    .   .   .   1   .   5    TYR    HN     .   .   rr_2ih6   1    
     62    1   .    .   1   1   7    7    LEU   MD2   H   .   .   .   1   1   5    5    TYR   QE    H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   7    LEU   MD2   .   .   A   .   5    TYR   QE    .   1   .   7    LEU    HD2*   .   .   .   1   .   5    TYR    HE*    .   .   rr_2ih6   1    
     63    1   .    .   1   1   6    6    PRO   HD3   H   .   .   .   1   1   5    5    TYR   QD    H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   6    PRO   HD3   .   .   A   .   5    TYR   QD    .   1   .   6    PRO    HD2    .   .   .   1   .   5    TYR    HD*    .   .   rr_2ih6   1    
     64    1   .    .   1   1   7    7    LEU   HG    H   .   .   .   1   1   5    5    TYR   QE    H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   7    LEU   HG    .   .   A   .   5    TYR   QE    .   1   .   7    LEU    HG     .   .   .   1   .   5    TYR    HE*    .   .   rr_2ih6   1    
     65    1   .    .   1   1   4    4    GLY   HA3   H   .   .   .   1   1   5    5    TYR   QD    H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   4    GLY   HA3   .   .   A   .   5    TYR   QD    .   1   .   4    GLY    HA2    .   .   .   1   .   5    TYR    HD*    .   .   rr_2ih6   1    
     66    1   .    .   1   1   9    9    HIS   HD2   H   .   .   .   1   1   9    9    HIS   H     H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   9    HIS   HD2   .   .   A   .   9    HIS   H     .   1   .   9    HIS    HD2    .   .   .   1   .   9    HIS    HN     .   .   rr_2ih6   1    
     67    1   .    .   1   1   1    1    VAL   HB    H   .   .   .   1   1   5    5    TYR   QE    H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   1    VAL   HB    .   .   A   .   5    TYR   QE    .   1   .   1    VALn   HB     .   .   .   1   .   5    TYR    HE*    .   .   rr_2ih6   1    
     68    1   .    .   1   1   6    6    PRO   HG2   H   .   .   .   1   1   6    6    PRO   HB2   H   .   .   .   .   .   .   1.9   5.0   .   .   .   .   .   A   .   6    PRO   HG2   .   .   A   .   6    PRO   HB2   .   1   .   6    PRO    HG1    .   .   .   1   .   6    PRO    HB1    .   .   rr_2ih6   1    
     69    1   .    .   1   1   8    8    CYS   HB2   H   .   .   .   1   1   8    8    CYS   HB3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   8    CYS   HB2   .   .   A   .   8    CYS   HB3   .   1   .   8    CYS    HB1    .   .   .   1   .   8    CYS    HB2    .   .   rr_2ih6   1    
     70    1   .    .   1   1   11   11   CYS   HB2   H   .   .   .   1   1   11   11   CYS   HB3   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   11   CYS   HB2   .   .   A   .   11   CYS   HB3   .   1   .   11   CYS    HB1    .   .   .   1   .   11   CYS    HB2    .   .   rr_2ih6   1    
     71    1   .    .   1   1   2    2    CYS   HB3   H   .   .   .   1   1   2    2    CYS   HB2   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   2    CYS   HB3   .   .   A   .   2    CYS   HB2   .   1   .   2    CYS    HB2    .   .   .   1   .   2    CYS    HB1    .   .   rr_2ih6   1    
     72    1   .    .   1   1   3    3    CYS   HB3   H   .   .   .   1   1   3    3    CYS   HB2   H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   3    CYS   HB3   .   .   A   .   3    CYS   HB2   .   1   .   3    CYS    HB2    .   .   .   1   .   3    CYS    HB1    .   .   rr_2ih6   1    
     73    1   .    .   1   1   9    9    HIS   H     H   .   .   .   1   1   8    8    CYS   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   9    HIS   H     .   .   A   .   8    CYS   HA    .   1   .   9    HIS    HN     .   .   .   1   .   8    CYS    HA     .   .   rr_2ih6   1    
     74    1   .    .   1   1   7    7    LEU   HA    H   .   .   .   1   1   8    8    CYS   H     H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   7    LEU   HA    .   .   A   .   8    CYS   H     .   1   .   7    LEU    HA     .   .   .   1   .   8    CYS    HN     .   .   rr_2ih6   1    
     75    1   .    .   1   1   10   10   HYP   HA    H   .   .   .   1   1   11   11   CYS   H     H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   10   HYP   HA    .   .   A   .   11   CYS   H     .   1   .   10   PRO    HA     .   .   .   1   .   11   CYS    HN     .   .   rr_2ih6   1    
     76    1   .    .   1   1   8    8    CYS   HB2   H   .   .   .   1   1   8    8    CYS   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   8    CYS   HB2   .   .   A   .   8    CYS   HA    .   1   .   8    CYS    HB1    .   .   .   1   .   8    CYS    HA     .   .   rr_2ih6   1    
     77    1   .    .   1   1   11   11   CYS   HB2   H   .   .   .   1   1   11   11   CYS   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   11   CYS   HB2   .   .   A   .   11   CYS   HA    .   1   .   11   CYS    HB1    .   .   .   1   .   11   CYS    HA     .   .   rr_2ih6   1    
     78    1   .    .   1   1   4    4    GLY   H     H   .   .   .   1   1   3    3    CYS   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   4    GLY   H     .   .   A   .   3    CYS   HA    .   1   .   4    GLY    HN     .   .   .   1   .   3    CYS    HA     .   .   rr_2ih6   1    
     79    1   .    .   1   1   1    1    VAL   HA    H   .   .   .   1   1   2    2    CYS   H     H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   1    VAL   HA    .   .   A   .   2    CYS   H     .   1   .   1    VALn   HA     .   .   .   1   .   2    CYS    HN     .   .   rr_2ih6   1    
     80    1   .    .   1   1   2    2    CYS   HB2   H   .   .   .   1   1   3    3    CYS   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   2    CYS   HB2   .   .   A   .   3    CYS   HA    .   1   .   2    CYS    HB1    .   .   .   1   .   3    CYS    HA     .   .   rr_2ih6   1    
     81    1   .    .   1   1   2    2    CYS   HA    H   .   .   .   1   1   3    3    CYS   H     H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   2    CYS   HA    .   .   A   .   3    CYS   H     .   1   .   2    CYS    HA     .   .   .   1   .   3    CYS    HN     .   .   rr_2ih6   1    
     82    1   .    .   1   1   3    3    CYS   HB2   H   .   .   .   1   1   3    3    CYS   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   3    CYS   HB2   .   .   A   .   3    CYS   HA    .   1   .   3    CYS    HB1    .   .   .   1   .   3    CYS    HA     .   .   rr_2ih6   1    
     83    1   .    .   1   1   2    2    CYS   HB2   H   .   .   .   1   1   2    2    CYS   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   2    CYS   HB2   .   .   A   .   2    CYS   HA    .   1   .   2    CYS    HB1    .   .   .   1   .   2    CYS    HA     .   .   rr_2ih6   1    
     84    1   .    .   1   1   2    2    CYS   HB3   H   .   .   .   1   1   2    2    CYS   HA    H   .   .   .   .   .   .   1.9   3.1   .   .   .   .   .   A   .   2    CYS   HB3   .   .   A   .   2    CYS   HA    .   1   .   2    CYS    HB2    .   .   .   1   .   2    CYS    HA     .   .   rr_2ih6   1    
     85    1   .    .   1   1   2    2    CYS   HB3   H   .   .   .   1   1   2    2    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   2    CYS   HB3   .   .   A   .   2    CYS   H     .   1   .   2    CYS    HB2    .   .   .   1   .   2    CYS    HN     .   .   rr_2ih6   1    
     86    1   .    .   1   1   8    8    CYS   HA    H   .   .   .   1   1   8    8    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   8    CYS   HA    .   .   A   .   8    CYS   H     .   1   .   8    CYS    HA     .   .   .   1   .   8    CYS    HN     .   .   rr_2ih6   1    
     87    1   .    .   1   1   8    8    CYS   HB3   H   .   .   .   1   1   8    8    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   8    CYS   HB3   .   .   A   .   8    CYS   H     .   1   .   8    CYS    HB2    .   .   .   1   .   8    CYS    HN     .   .   rr_2ih6   1    
     88    1   .    .   1   1   11   11   CYS   HB3   H   .   .   .   1   1   11   11   CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   11   CYS   HB3   .   .   A   .   11   CYS   H     .   1   .   11   CYS    HB2    .   .   .   1   .   11   CYS    HN     .   .   rr_2ih6   1    
     89    1   .    .   1   1   3    3    CYS   HB3   H   .   .   .   1   1   3    3    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   3    CYS   HB3   .   .   A   .   3    CYS   H     .   1   .   3    CYS    HB2    .   .   .   1   .   3    CYS    HN     .   .   rr_2ih6   1    
     90    1   .    .   1   1   3    3    CYS   HB3   H   .   .   .   1   1   11   11   CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   3    CYS   HB3   .   .   A   .   11   CYS   HA    .   1   .   3    CYS    HB2    .   .   .   1   .   11   CYS    HA     .   .   rr_2ih6   1    
     91    1   .    .   1   1   1    1    VAL   HB    H   .   .   .   1   1   2    2    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   1    VAL   HB    .   .   A   .   2    CYS   H     .   1   .   1    VALn   HB     .   .   .   1   .   2    CYS    HN     .   .   rr_2ih6   1    
     92    1   .    .   1   1   2    2    CYS   HB2   H   .   .   .   1   1   8    8    CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   2    CYS   HB2   .   .   A   .   8    CYS   HA    .   1   .   2    CYS    HB1    .   .   .   1   .   8    CYS    HA     .   .   rr_2ih6   1    
     93    1   .    .   1   1   11   11   CYS   HB3   H   .   .   .   1   1   11   11   CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   11   CYS   HB3   .   .   A   .   11   CYS   HA    .   1   .   11   CYS    HB2    .   .   .   1   .   11   CYS    HA     .   .   rr_2ih6   1    
     94    1   .    .   1   1   2    2    CYS   HB2   H   .   .   .   1   1   2    2    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   2    CYS   HB2   .   .   A   .   2    CYS   H     .   1   .   2    CYS    HB1    .   .   .   1   .   2    CYS    HN     .   .   rr_2ih6   1    
     95    1   .    .   1   1   3    3    CYS   HB2   H   .   .   .   1   1   11   11   CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   3    CYS   HB2   .   .   A   .   11   CYS   HA    .   1   .   3    CYS    HB1    .   .   .   1   .   11   CYS    HA     .   .   rr_2ih6   1    
     96    1   .    .   1   1   3    3    CYS   HB3   H   .   .   .   1   1   3    3    CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   3    CYS   HB3   .   .   A   .   3    CYS   HA    .   1   .   3    CYS    HB2    .   .   .   1   .   3    CYS    HA     .   .   rr_2ih6   1    
     97    1   .    .   1   1   3    3    CYS   HA    H   .   .   .   1   1   3    3    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   3    CYS   HA    .   .   A   .   3    CYS   H     .   1   .   3    CYS    HA     .   .   .   1   .   3    CYS    HN     .   .   rr_2ih6   1    
     98    1   .    .   1   1   2    2    CYS   H     H   .   .   .   1   1   2    2    CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   2    CYS   H     .   .   A   .   2    CYS   HA    .   1   .   2    CYS    HN     .   .   .   1   .   2    CYS    HA     .   .   rr_2ih6   1    
     99    1   .    .   1   1   11   11   CYS   H     H   .   .   .   1   1   11   11   CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   11   CYS   H     .   .   A   .   11   CYS   HA    .   1   .   11   CYS    HN     .   .   .   1   .   11   CYS    HA     .   .   rr_2ih6   1    
     100   1   .    .   1   1   8    8    CYS   HB3   H   .   .   .   1   1   8    8    CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   8    CYS   HB3   .   .   A   .   8    CYS   HA    .   1   .   8    CYS    HB2    .   .   .   1   .   8    CYS    HA     .   .   rr_2ih6   1    
     101   1   .    .   1   1   1    1    VAL   MG2   H   .   .   .   1   1   8    8    CYS   HB3   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   1    VAL   MG2   .   .   A   .   8    CYS   HB3   .   1   .   1    VALn   HG1*   .   .   .   1   .   8    CYS    HB2    .   .   rr_2ih6   1    
     102   1   .    .   1   1   9    9    HIS   H     H   .   .   .   1   1   8    8    CYS   HB3   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   9    HIS   H     .   .   A   .   8    CYS   HB3   .   1   .   9    HIS    HN     .   .   .   1   .   8    CYS    HB2    .   .   rr_2ih6   1    
     103   1   .    .   1   1   4    4    GLY   H     H   .   .   .   1   1   3    3    CYS   HB2   H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   4    GLY   H     .   .   A   .   3    CYS   HB2   .   1   .   4    GLY    HN     .   .   .   1   .   3    CYS    HB1    .   .   rr_2ih6   1    
     104   1   .    .   1   1   9    9    HIS   HE1   H   .   .   .   1   1   11   11   CYS   HA    H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   9    HIS   HE1   .   .   A   .   11   CYS   HA    .   1   .   9    HIS    HE1    .   .   .   1   .   11   CYS    HA     .   .   rr_2ih6   1    
     105   1   .    .   1   1   7    7    LEU   H     H   .   .   .   1   1   8    8    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   H     .   .   A   .   8    CYS   H     .   1   .   7    LEU    HN     .   .   .   1   .   8    CYS    HN     .   .   rr_2ih6   1    
     106   1   .    .   1   1   1    1    VAL   MG2   H   .   .   .   1   1   2    2    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   1    VAL   MG2   .   .   A   .   2    CYS   H     .   1   .   1    VALn   HG1*   .   .   .   1   .   2    CYS    HN     .   .   rr_2ih6   1    
     107   1   .    .   1   1   1    1    VAL   MG1   H   .   .   .   1   1   2    2    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   1    VAL   MG1   .   .   A   .   2    CYS   H     .   1   .   1    VALn   HG2*   .   .   .   1   .   2    CYS    HN     .   .   rr_2ih6   1    
     108   1   .    .   1   1   7    7    LEU   HB3   H   .   .   .   1   1   8    8    CYS   H     H   .   .   .   .   .   .   1.9   3.8   .   .   .   .   .   A   .   7    LEU   HB3   .   .   A   .   8    CYS   H     .   1   .   7    LEU    HB2    .   .   .   1   .   8    CYS    HN     .   .   rr_2ih6   1    

   stop_

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

     1   'BIOSYM restraint 1 distance'   1   1   3   9   rr_2ih6   1    

   stop_

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

     1   2   2    1   "Not handling restraint 2, item 1, resonance(s) '1.10.HD*' (nmrStar names) not linked"    rr_2ih6   1    
     2   2   2    1   "Not handling restraint 2, item 1, resonance(s) '1.10.HD*' (nmrStar names) not linked"    rr_2ih6   1    
     3   2   15   1   "Not handling restraint 15, item 1, resonance(s) '1.10.HD*' (nmrStar names) not linked"   rr_2ih6   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_2ih6
   _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 26-SEP-06 2IH6 *TITLE PRO6 VARIANT OF CMRVIA CONOTOXIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LAMBDA-CONOTOXIN CMRVIA; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED USING FMOC SOLID *SOURCE 4 PHASE PEPTIDE SYNTHESIS. *KEYWDS CONOTOXIN, DISULFIDE LINKAGE, NMR *EXPDTA NMR, 16 STRUCTURES *AUTHOR R.M.KINI, T.S.KANG *REVDAT 1 14-AUG-07 2IH6 0'

save_
