NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing in_recoord stage program type item_count
32657 1ghk cing recoord 2-parsed STAR dihedral angle 65


data_1ghk_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ghk 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_1ghk   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ghk 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

    loop_
        _Related_entries.Database_name 
        _Related_entries.Database_accession_code 
        _Related_entries.Relationship 
        _Related_entries.Entry_ID 

        PDB   1ghk   "Master copy"    parsed_1ghk   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ghk 
    _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   1ghk.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1ghk   1   
        1   1ghk.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             550   parsed_1ghk   1   
        1   1ghk.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              30   parsed_1ghk   1   
        1   1ghk.mr   .   .    n/a           4    comment                  "Not applicable"    "Not applicable"      0   parsed_1ghk   1   
        1   1ghk.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"     65   parsed_1ghk   1   
        1   1ghk.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"      0   parsed_1ghk   1   
        1   1ghk.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1ghk   1   
    stop_

save_


save_CNS/XPLOR_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1ghk 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            5 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    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.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.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.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.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.Auth_asym_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_asym_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_asym_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_asym_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.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .    1   .   c   .    2   .   n    .    2   .   ca   .    2   .   c     parsed_1ghk   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .    3   .   c   .    4   .   n    .    4   .   ca   .    4   .   c     parsed_1ghk   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .    4   .   c   .    5   .   n    .    5   .   ca   .    5   .   c     parsed_1ghk   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .    5   .   c   .    6   .   n    .    6   .   ca   .    6   .   c     parsed_1ghk   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   10   .   c   .   11   .   n    .   11   .   ca   .   11   .   c     parsed_1ghk   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   12   .   c   .   13   .   n    .   13   .   ca   .   13   .   c     parsed_1ghk   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   16   .   c   .   17   .   n    .   17   .   ca   .   17   .   c     parsed_1ghk   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   17   .   c   .   18   .   n    .   18   .   ca   .   18   .   c     parsed_1ghk   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   18   .   c   .   19   .   n    .   19   .   ca   .   19   .   c     parsed_1ghk   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   19   .   c   .   20   .   n    .   20   .   ca   .   20   .   c     parsed_1ghk   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   20   .   c   .   21   .   n    .   21   .   ca   .   21   .   c     parsed_1ghk   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   22   .   c   .   23   .   n    .   23   .   ca   .   23   .   c     parsed_1ghk   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   23   .   c   .   24   .   n    .   24   .   ca   .   24   .   c     parsed_1ghk   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   28   .   c   .   29   .   n    .   29   .   ca   .   29   .   c     parsed_1ghk   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   29   .   c   .   30   .   n    .   30   .   ca   .   30   .   c     parsed_1ghk   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   30   .   c   .   31   .   n    .   31   .   ca   .   31   .   c     parsed_1ghk   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   33   .   c   .   34   .   n    .   34   .   ca   .   34   .   c     parsed_1ghk   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   34   .   c   .   35   .   n    .   35   .   ca   .   35   .   c     parsed_1ghk   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   36   .   c   .   37   .   n    .   37   .   ca   .   37   .   c     parsed_1ghk   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   37   .   c   .   38   .   n    .   38   .   ca   .   38   .   c     parsed_1ghk   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   38   .   c   .   39   .   n    .   39   .   ca   .   39   .   c     parsed_1ghk   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   39   .   c   .   40   .   n    .   40   .   ca   .   40   .   c     parsed_1ghk   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   40   .   c   .   41   .   n    .   41   .   ca   .   41   .   c     parsed_1ghk   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   41   .   c   .   42   .   n    .   42   .   ca   .   42   .   c     parsed_1ghk   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   42   .   c   .   43   .   n    .   43   .   ca   .   43   .   c     parsed_1ghk   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   43   .   c   .   44   .   n    .   44   .   ca   .   44   .   c     parsed_1ghk   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   44   .   c   .   45   .   n    .   45   .   ca   .   45   .   c     parsed_1ghk   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   46   .   c   .   47   .   n    .   47   .   ca   .   47   .   c     parsed_1ghk   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   47   .   c   .   48   .   n    .   48   .   ca   .   48   .   c     parsed_1ghk   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   48   .   c   .   49   .   n    .   49   .   ca   .   49   .   c     parsed_1ghk   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   53   .   c   .   54   .   n    .   54   .   ca   .   54   .   c     parsed_1ghk   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   54   .   c   .   55   .   n    .   55   .   ca   .   55   .   c     parsed_1ghk   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   57   .   c   .   58   .   n    .   58   .   ca   .   58   .   c     parsed_1ghk   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   58   .   c   .   59   .   n    .   59   .   ca   .   59   .   c     parsed_1ghk   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   59   .   c   .   60   .   n    .   60   .   ca   .   60   .   c     parsed_1ghk   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   60   .   c   .   61   .   n    .   61   .   ca   .   61   .   c     parsed_1ghk   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   61   .   c   .   62   .   n    .   62   .   ca   .   62   .   c     parsed_1ghk   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   65   .   c   .   66   .   n    .   66   .   ca   .   66   .   c     parsed_1ghk   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   66   .   c   .   67   .   n    .   67   .   ca   .   67   .   c     parsed_1ghk   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   67   .   c   .   68   .   n    .   68   .   ca   .   68   .   c     parsed_1ghk   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   69   .   c   .   70   .   n    .   70   .   ca   .   70   .   c     parsed_1ghk   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   70   .   c   .   71   .   n    .   71   .   ca   .   71   .   c     parsed_1ghk   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   71   .   c   .   72   .   n    .   72   .   ca   .   72   .   c     parsed_1ghk   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   73   .   c   .   74   .   n    .   74   .   ca   .   74   .   c     parsed_1ghk   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   74   .   c   .   75   .   n    .   75   .   ca   .   75   .   c     parsed_1ghk   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   75   .   c   .   76   .   n    .   76   .   ca   .   76   .   c     parsed_1ghk   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   76   .   c   .   77   .   n    .   77   .   ca   .   77   .   c     parsed_1ghk   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .    3   .   n   .    3   .   ca   .    3   .   cb   .    3   .   cg    parsed_1ghk   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   21   .   n   .   21   .   ca   .   21   .   cb   .   21   .   cg    parsed_1ghk   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   22   .   n   .   22   .   ca   .   22   .   cb   .   22   .   cg    parsed_1ghk   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   32   .   n   .   32   .   ca   .   32   .   cb   .   32   .   cg    parsed_1ghk   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   37   .   n   .   37   .   ca   .   37   .   cb   .   37   .   cg    parsed_1ghk   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   42   .   n   .   42   .   ca   .   42   .   cb   .   42   .   cg    parsed_1ghk   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   45   .   n   .   45   .   ca   .   45   .   cb   .   45   .   cg    parsed_1ghk   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   52   .   n   .   52   .   ca   .   52   .   cb   .   52   .   cg    parsed_1ghk   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   61   .   n   .   61   .   ca   .   61   .   cb   .   61   .   cg    parsed_1ghk   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   64   .   n   .   64   .   ca   .   64   .   cb   .   64   .   cg    parsed_1ghk   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   70   .   n   .   70   .   ca   .   70   .   cb   .   70   .   cg    parsed_1ghk   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   72   .   n   .   72   .   ca   .   72   .   cb   .   72   .   cg    parsed_1ghk   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   77   .   n   .   77   .   ca   .   77   .   cb   .   77   .   cg    parsed_1ghk   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   18   .   n   .   18   .   ca   .   18   .   cb   .   18   .   cg1   parsed_1ghk   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0    90.0   .   .   36   .   n   .   36   .   ca   .   36   .   cb   .   36   .   cg1   parsed_1ghk   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   43   .   n   .   43   .   ca   .   43   .   cb   .   43   .   cg1   parsed_1ghk   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   54   .   n   .   54   .   ca   .   54   .   cb   .   54   .   cg1   parsed_1ghk   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   59   .   n   .   59   .   ca   .   59   .   cb   .   59   .   cg1   parsed_1ghk   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 constraints AND Chi constraints
! Phi restraints: minimum deviation = 30 degrees
! 3J values from HMQC-J experiment, after fitting and/or spectral simulations
! for 3J values > 9 Hz, phi = -120 +- 30
! for 3J values > 8 Hz, phi = -120 +- 40
! for 3J values < 6 Hz, phi = -55 +- 30
!    ILE2
;
     1   1     9   11   parsed_1ghk   1   
         2   "!    ILE4"          12   1    12   11   parsed_1ghk   1   
         3   "!    LYS5"          15   1    15   11   parsed_1ghk   1   
         4   "!    ALA6"          18   1    18   11   parsed_1ghk   1   
         5   "!    GLU11"         21   1    21   12   parsed_1ghk   1   
         6   "!    ILE13"         24   1    24   13   parsed_1ghk   1   
         7   "!    THR17"         27   1    27   12   parsed_1ghk   1   
         8   "!    VAL18"         30   1    30   13   parsed_1ghk   1   
         9   "!    ALA19"         33   1    33   12   parsed_1ghk   1   
        10   "!    THR20"         36   1    36   12   parsed_1ghk   1   
        11   "!    TRP21"         39   1    39   13   parsed_1ghk   1   
        12   "!    LYS23"         42   1    42   12   parsed_1ghk   1   
        13   "!    LYS24"         45   1    45   12   parsed_1ghk   1   
        14   "!    VAL29"         48   1    48   13   parsed_1ghk   1   
        15   "!    LYS30"         51   1    51   12   parsed_1ghk   1   
        16   "!    ARG31"         54   1    54   12   parsed_1ghk   1   
        17   "!    LEU34"         57   1    57   13   parsed_1ghk   1   
        18   "!    ILE35"         60   1    60   12   parsed_1ghk   1   
        19   "!    ASP37"         63   1    63   13   parsed_1ghk   1   
        20   "!    ILE38"         66   1    66   12   parsed_1ghk   1   
        21   "!    GLU39"         69   1    69   13   parsed_1ghk   1   
        22   "!    THR40"         72   1    72   12   parsed_1ghk   1   
        23   "!    ASP41"         75   1    75   13   parsed_1ghk   1   
        24   "!    LYS42"         78   1    78   12   parsed_1ghk   1   
        25   "!    VAL43"         81   1    81   13   parsed_1ghk   1   
        26   "!    VAL44"         84   1    84   12   parsed_1ghk   1   
        27   "!    MET45"         87   1    87   13   parsed_1ghk   1   
        28   "!    VAL47"         90   1    90   12   parsed_1ghk   1   
        29   "!    LEU48"         93   1    93   13   parsed_1ghk   1   
        30   "!    ALA49"         96   1    96   12   parsed_1ghk   1   
        31   "!    VAL54"         99   1    99   12   parsed_1ghk   1   
        32   "!    ILE55"        102   1   102   12   parsed_1ghk   1   
        33   "!    ILE58"        105   1   105   13   parsed_1ghk   1   
        34   "!    VAL59"        108   1   108   12   parsed_1ghk   1   
        35   "!    LYS60"        111   1   111   13   parsed_1ghk   1   
        36   "!    ASN61"        114   1   114   12   parsed_1ghk   1   
        37   "!    GLU62"        117   1   117   13   parsed_1ghk   1   
        38   "!    VAL66"        120   1   120   12   parsed_1ghk   1   
        39   "!    LEU67"        123   1   123   13   parsed_1ghk   1   
        40   "!    SER68"        126   1   126   12   parsed_1ghk   1   
        41   "!    GLU70"        129   1   129   13   parsed_1ghk   1   
        42   "!    LEU71"        132   1   132   12   parsed_1ghk   1   
        43   "!    LEU72"        135   1   135   12   parsed_1ghk   1   
        44   "!    LYS74"        138   1   138   13   parsed_1ghk   1   
        45   "!    LEU75"        141   1   141   12   parsed_1ghk   1   
        46   "!    THR76"        144   1   144   13   parsed_1ghk   1   
        47   "!    GLU77"        147   1   147   12   parsed_1ghk   1   
        48   
;
! Chi constraints: minimum deviation = 30 degrees
! beta-methylene protons
!    D3, g2t3
;
   152   1   156   15   parsed_1ghk   1   
        49   "!    W21, t2g3"    159   1   159   17   parsed_1ghk   1   
        50   "!    H22, t2g3"    162   1   162   16   parsed_1ghk   1   
        51   "!    D32, g2t3"    165   1   165   16   parsed_1ghk   1   
        52   "!    D37, t2g3"    168   1   168   16   parsed_1ghk   1   
        53   "!    K42, t2g3"    171   1   171   16   parsed_1ghk   1   
        54   "!    M45, t2g3"    174   1   174   16   parsed_1ghk   1   
        55   "!    D52, g2t3"    177   1   177   17   parsed_1ghk   1   
        56   "!    N61, t2g3"    180   1   180   16   parsed_1ghk   1   
        57   "!    D64, g2t3"    183   1   183   16   parsed_1ghk   1   
        58   "!    E70, g2t3"    186   1   186   16   parsed_1ghk   1   
        59   "!    L72, t2g3"    189   1   189   16   parsed_1ghk   1   
        60   "!    E77, t2g3"    192   1   192   16   parsed_1ghk   1   
        61   
;
!    Valines
!   V18, g+
;
   197   1   199   14   parsed_1ghk   1   
        62   "!   V36, t"        202   1   202   12   parsed_1ghk   1   
        63   "!   V43, g+"       205   1   205   14   parsed_1ghk   1   
        64   "!   V54, g+"       208   1   208   14   parsed_1ghk   1   
        65   "!   V59, g+"       211   1   211   14   parsed_1ghk   1   
    stop_

save_





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