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
33837 1iyu cing recoord 2-parsed STAR dihedral angle 66


data_1iyu_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1iyu 
    _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_1iyu   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1iyu 
    _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   1iyu   "Master copy"    parsed_1iyu   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1iyu 
    _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   1iyu.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1iyu   1   
        1   1iyu.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             474   parsed_1iyu   1   
        1   1iyu.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              22   parsed_1iyu   1   
        1   1iyu.mr   .   .    n/a           4    comment                  "Not applicable"    "Not applicable"      0   parsed_1iyu   1   
        1   1iyu.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"     66   parsed_1iyu   1   
        1   1iyu.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"      0   parsed_1iyu   1   
        1   1iyu.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1iyu   1   
    stop_

save_


save_CNS/XPLOR_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1iyu 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .    2   .   c   .    3   .   n    .    3   .   ca   .    3   .   c     parsed_1iyu   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .    3   .   c   .    4   .   n    .    4   .   ca   .    4   .   c     parsed_1iyu   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .    4   .   c   .    5   .   n    .    5   .   ca   .    5   .   c     parsed_1iyu   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .    5   .   c   .    6   .   n    .    6   .   ca   .    6   .   c     parsed_1iyu   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .    7   .   c   .    8   .   n    .    8   .   ca   .    8   .   c     parsed_1iyu   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .    8   .   c   .    9   .   n    .    9   .   ca   .    9   .   c     parsed_1iyu   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   13   .   c   .   14   .   n    .   14   .   ca   .   14   .   c     parsed_1iyu   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   14   .   c   .   15   .   n    .   15   .   ca   .   15   .   c     parsed_1iyu   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   15   .   c   .   16   .   n    .   16   .   ca   .   16   .   c     parsed_1iyu   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   17   .   c   .   18   .   n    .   18   .   ca   .   18   .   c     parsed_1iyu   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   18   .   c   .   19   .   n    .   19   .   ca   .   19   .   c     parsed_1iyu   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   19   .   c   .   20   .   n    .   20   .   ca   .   20   .   c     parsed_1iyu   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   20   .   c   .   21   .   n    .   21   .   ca   .   21   .   c     parsed_1iyu   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   21   .   c   .   22   .   n    .   22   .   ca   .   22   .   c     parsed_1iyu   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   23   .   c   .   24   .   n    .   24   .   ca   .   24   .   c     parsed_1iyu   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   24   .   c   .   25   .   n    .   25   .   ca   .   25   .   c     parsed_1iyu   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   25   .   c   .   26   .   n    .   26   .   ca   .   26   .   c     parsed_1iyu   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   26   .   c   .   27   .   n    .   27   .   ca   .   27   .   c     parsed_1iyu   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   27   .   c   .   28   .   n    .   28   .   ca   .   28   .   c     parsed_1iyu   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   29   .   c   .   30   .   n    .   30   .   ca   .   30   .   c     parsed_1iyu   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   31   .   c   .   32   .   n    .   32   .   ca   .   32   .   c     parsed_1iyu   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   33   .   c   .   34   .   n    .   34   .   ca   .   34   .   c     parsed_1iyu   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   34   .   c   .   35   .   n    .   35   .   ca   .   35   .   c     parsed_1iyu   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   35   .   c   .   36   .   n    .   36   .   ca   .   36   .   c     parsed_1iyu   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   36   .   c   .   37   .   n    .   37   .   ca   .   37   .   c     parsed_1iyu   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   37   .   c   .   38   .   n    .   38   .   ca   .   38   .   c     parsed_1iyu   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   38   .   c   .   39   .   n    .   39   .   ca   .   39   .   c     parsed_1iyu   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   40   .   c   .   41   .   n    .   41   .   ca   .   41   .   c     parsed_1iyu   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   41   .   c   .   42   .   n    .   42   .   ca   .   42   .   c     parsed_1iyu   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   42   .   c   .   43   .   n    .   43   .   ca   .   43   .   c     parsed_1iyu   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   43   .   c   .   44   .   n    .   44   .   ca   .   44   .   c     parsed_1iyu   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   45   .   c   .   46   .   n    .   46   .   ca   .   46   .   c     parsed_1iyu   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   47   .   c   .   48   .   n    .   48   .   ca   .   48   .   c     parsed_1iyu   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   48   .   c   .   49   .   n    .   49   .   ca   .   49   .   c     parsed_1iyu   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   50   .   c   .   51   .   n    .   51   .   ca   .   51   .   c     parsed_1iyu   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   51   .   c   .   52   .   n    .   52   .   ca   .   52   .   c     parsed_1iyu   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   52   .   c   .   53   .   n    .   53   .   ca   .   53   .   c     parsed_1iyu   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   54   .   c   .   55   .   n    .   55   .   ca   .   55   .   c     parsed_1iyu   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   56   .   c   .   57   .   n    .   57   .   ca   .   57   .   c     parsed_1iyu   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   57   .   c   .   58   .   n    .   58   .   ca   .   58   .   c     parsed_1iyu   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   58   .   c   .   59   .   n    .   59   .   ca   .   59   .   c     parsed_1iyu   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   60   .   c   .   61   .   n    .   61   .   ca   .   61   .   c     parsed_1iyu   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   61   .   c   .   62   .   n    .   62   .   ca   .   62   .   c     parsed_1iyu   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   62   .   c   .   63   .   n    .   63   .   ca   .   63   .   c     parsed_1iyu   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   63   .   c   .   64   .   n    .   64   .   ca   .   64   .   c     parsed_1iyu   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   64   .   c   .   65   .   n    .   65   .   ca   .   65   .   c     parsed_1iyu   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   66   .   c   .   67   .   n    .   67   .   ca   .   67   .   c     parsed_1iyu   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.0   -25.0   .   .   67   .   c   .   68   .   n    .   68   .   ca   .   68   .   c     parsed_1iyu   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   68   .   c   .   69   .   n    .   69   .   ca   .   69   .   c     parsed_1iyu   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   69   .   c   .   70   .   n    .   70   .   ca   .   70   .   c     parsed_1iyu   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   70   .   c   .   71   .   n    .   71   .   ca   .   71   .   c     parsed_1iyu   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   71   .   c   .   72   .   n    .   72   .   ca   .   72   .   c     parsed_1iyu   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.0   -90.0   .   .   72   .   c   .   73   .   n    .   73   .   ca   .   73   .   c     parsed_1iyu   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   24   .   n   .   24   .   ca   .   24   .   cb   .   24   .   cg    parsed_1iyu   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   35   .   n   .   35   .   ca   .   35   .   cb   .   35   .   cg    parsed_1iyu   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   61   .   n   .   61   .   ca   .   61   .   cb   .   61   .   cg    parsed_1iyu   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   67   .   n   .   67   .   ca   .   67   .   cb   .   67   .   cg    parsed_1iyu   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   72   .   n   .   72   .   ca   .   72   .   cb   .   72   .   cg    parsed_1iyu   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .    6   .   n   .    6   .   ca   .    6   .   cb   .    6   .   cg1   parsed_1iyu   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   15   .   n   .   15   .   ca   .   15   .   cb   .   15   .   cg1   parsed_1iyu   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   20   .   n   .   20   .   ca   .   20   .   cb   .   20   .   cg1   parsed_1iyu   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   33   .   n   .   33   .   ca   .   33   .   cb   .   33   .   cg1   parsed_1iyu   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0    90.0   .   .   51   .   n   .   51   .   ca   .   51   .   cb   .   51   .   cg1   parsed_1iyu   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   52   .   n   .   52   .   ca   .   52   .   cb   .   52   .   cg1   parsed_1iyu   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   55   .   n   .   55   .   ca   .   55   .   cb   .   55   .   cg1   parsed_1iyu   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   57   .   n   .   57   .   ca   .   57   .   cb   .   57   .   cg1   parsed_1iyu   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
!    ILE3
;
     1   1     9   11   parsed_1iyu   1   
         2   "!    ILE4"                                     12   1    12   12   parsed_1iyu   1   
         3   "!    ARG5"                                     15   1    15   11   parsed_1iyu   1   
         4   "!    VAL6"                                     18   1    18   12   parsed_1iyu   1   
         5   "!    ASP8"                                     21   1    21   11   parsed_1iyu   1   
         6   "!    ILE9"                                     24   1    24   12   parsed_1iyu   1   
         7   "!    GLU14"                                    27   1    27   12   parsed_1iyu   1   
         8   "!    VAL15"                                    30   1    30   12   parsed_1iyu   1   
         9   "!    ILE16"                                    33   1    33   12   parsed_1iyu   1   
        10   "!    LEU18"                                    36   1    36   13   parsed_1iyu   1   
        11   "!    LEU19"                                    39   1    39   12   parsed_1iyu   1   
        12   "!    VAL20"                                    42   1    42   12   parsed_1iyu   1   
        13   "!    LYS21"                                    45   1    45   13   parsed_1iyu   1   
        14   "!    THR22"                                    48   1    48   12   parsed_1iyu   1   
        15   "!    ASP24"                                    51   1    51   12   parsed_1iyu   1   
        16   "!    LEU25"                                    54   1    54   12   parsed_1iyu   1   
        17   "!    ILE26"                                    57   1    57   12   parsed_1iyu   1   
        18   "!    GLU27"                                    60   1    60   12   parsed_1iyu   1   
        19   "!    VAL28"                                    63   1    63   12   parsed_1iyu   1   
        20   "!    GLN30"                                    66   1    66   12   parsed_1iyu   1   
        21   "!    LEU32"                                    69   1    69   12   parsed_1iyu   1   
        22   "!    VAL34"                                    72   1    72   13   parsed_1iyu   1   
        23   "!    LEU35"                                    75   1    75   12   parsed_1iyu   1   
        24   "!    GLU36"                                    78   1    78   12   parsed_1iyu   1   
        25   "!    SER37"                                    81   1    81   13   parsed_1iyu   1   
        26   "!    ALA38, from COSY, in HMQC-J too weak"     84   1    84   43   parsed_1iyu   1   
        27   "!    LYS39"                                    87   1    87   13   parsed_1iyu   1   
        28   "!    SER41"                                    90   1    90   13   parsed_1iyu   1   
        29   "!    MET42"                                    93   1    93   12   parsed_1iyu   1   
        30   "!    GLU43"                                    96   1    96   13   parsed_1iyu   1   
        31   "!    VAL44"                                    99   1    99   12   parsed_1iyu   1   
        32   "!    SER46"                                   102   1   102   13   parsed_1iyu   1   
        33   "!    LYS48"                                   105   1   105   13   parsed_1iyu   1   
        34   "!    ALA49"                                   108   1   108   12   parsed_1iyu   1   
        35   "!    VAL51"                                   111   1   111   13   parsed_1iyu   1   
        36   "!    VAL52"                                   114   1   114   12   parsed_1iyu   1   
        37   "!    LYS53"                                   117   1   117   12   parsed_1iyu   1   
        38   "!    VAL55"                                   120   1   120   12   parsed_1iyu   1   
        39   "!    VAL57"                                   123   1   123   12   parsed_1iyu   1   
        40   "!    LYS58"                                   126   1   126   13   parsed_1iyu   1   
        41   "!    LEU59"                                   129   1   129   12   parsed_1iyu   1   
        42   "!    ASP61"                                   132   1   132   12   parsed_1iyu   1   
        43   "!    LYS62"                                   135   1   135   13   parsed_1iyu   1   
        44   "!    LEU63"                                   138   1   138   12   parsed_1iyu   1   
        45   "!    LYS64"                                   141   1   141   12   parsed_1iyu   1   
        46   "!    GLU65"                                   144   1   144   13   parsed_1iyu   1   
        47   "!    ASP67"                                   147   1   147   13   parsed_1iyu   1   
        48   "!    ALA68"                                   150   1   150   12   parsed_1iyu   1   
        49   "!    ILE69"                                   153   1   153   12   parsed_1iyu   1   
        50   "!    ILE70"                                   156   1   156   12   parsed_1iyu   1   
        51   "!    GLU71"                                   159   1   159   12   parsed_1iyu   1   
        52   "!    LEU72"                                   162   1   162   13   parsed_1iyu   1   
        53   "!    GLU73"                                   165   1   165   12   parsed_1iyu   1   
        54   
;
! Chi constraints: minimum deviation = 30 degrees
! beta-methylene protons
!    D24, t2g3
;
   170   1   174   16   parsed_1iyu   1   
        55   "!    L35, t2g3"                               177   1   177   17   parsed_1iyu   1   
        56   "!    D61, t2g3"                               180   1   180   16   parsed_1iyu   1   
        57   "!    D67, t2g3"                               183   1   183   16   parsed_1iyu   1   
        58   "!    L72, g2t3"                               186   1   186   16   parsed_1iyu   1   
        59   
;
!    Valines
!   V6, g+
;
   191   1   193   13   parsed_1iyu   1   
        60   "!   V15, g+"                                  196   1   196   13   parsed_1iyu   1   
        61   "!   V20, g-"                                  199   1   199   14   parsed_1iyu   1   
        62   "!   V33, g-"                                  202   1   202   14   parsed_1iyu   1   
        63   "!   V51, t"                                   205   1   205   13   parsed_1iyu   1   
        64   "!   V52, g+"                                  208   1   208   14   parsed_1iyu   1   
        65   "!   V55, g+"                                  211   1   211   14   parsed_1iyu   1   
        66   "!   V57, g-"                                  214   1   214   14   parsed_1iyu   1   
    stop_

save_





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