NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type item_count
33377 1i6f 5029 cing 2-parsed STAR dihedral angle 76


data_1i6f_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1i6f 
    _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_1i6f   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1i6f 
    _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   1i6f   "Master copy"    parsed_1i6f   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1i6f 
    _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   1i6f.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1i6f   1   
        1   1i6f.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             852   parsed_1i6f   1   
        1   1i6f.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              70   parsed_1i6f   1   
        1   1i6f.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"     76   parsed_1i6f   1   
        1   1i6f.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1i6f   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1i6f 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _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   .   .    1   .   c    .    2   .   n    .    2   .   ca   .    2   .   c    parsed_1i6f   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .    3   .   c    .    4   .   n    .    4   .   ca   .    4   .   c    parsed_1i6f   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .    5   .   c    .    6   .   n    .    6   .   ca   .    6   .   c    parsed_1i6f   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .    6   .   c    .    7   .   n    .    7   .   ca   .    7   .   c    parsed_1i6f   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    7   .   c    .    8   .   n    .    8   .   ca   .    8   .   c    parsed_1i6f   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .    8   .   c    .    9   .   n    .    9   .   ca   .    9   .   c    parsed_1i6f   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   10   .   c    .   11   .   n    .   11   .   ca   .   11   .   c    parsed_1i6f   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   12   .   c    .   13   .   n    .   13   .   ca   .   13   .   c    parsed_1i6f   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   13   .   c    .   14   .   n    .   14   .   ca   .   14   .   c    parsed_1i6f   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   14   .   c    .   15   .   n    .   15   .   ca   .   15   .   c    parsed_1i6f   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   15   .   c    .   16   .   n    .   16   .   ca   .   16   .   c    parsed_1i6f   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   16   .   c    .   17   .   n    .   17   .   ca   .   17   .   c    parsed_1i6f   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   17   .   c    .   18   .   n    .   18   .   ca   .   18   .   c    parsed_1i6f   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   18   .   c    .   19   .   n    .   19   .   ca   .   19   .   c    parsed_1i6f   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   19   .   c    .   20   .   n    .   20   .   ca   .   20   .   c    parsed_1i6f   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   21   .   c    .   22   .   n    .   22   .   ca   .   22   .   c    parsed_1i6f   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   22   .   c    .   23   .   n    .   23   .   ca   .   23   .   c    parsed_1i6f   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   23   .   c    .   24   .   n    .   24   .   ca   .   24   .   c    parsed_1i6f   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   24   .   c    .   25   .   n    .   25   .   ca   .   25   .   c    parsed_1i6f   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   26   .   c    .   27   .   n    .   27   .   ca   .   27   .   c    parsed_1i6f   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   27   .   c    .   28   .   n    .   28   .   ca   .   28   .   c    parsed_1i6f   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   29   .   c    .   30   .   n    .   30   .   ca   .   30   .   c    parsed_1i6f   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   30   .   c    .   31   .   n    .   31   .   ca   .   31   .   c    parsed_1i6f   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   34   .   c    .   35   .   n    .   35   .   ca   .   35   .   c    parsed_1i6f   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   35   .   c    .   36   .   n    .   36   .   ca   .   36   .   c    parsed_1i6f   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0    90.0   .   .   36   .   c    .   37   .   n    .   37   .   ca   .   37   .   c    parsed_1i6f   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     50.0   130.0   .   .   37   .   c    .   38   .   n    .   38   .   ca   .   38   .   c    parsed_1i6f   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   38   .   c    .   39   .   n    .   39   .   ca   .   39   .   c    parsed_1i6f   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   40   .   c    .   41   .   n    .   41   .   ca   .   41   .   c    parsed_1i6f   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   41   .   c    .   42   .   n    .   42   .   ca   .   42   .   c    parsed_1i6f   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   44   .   c    .   45   .   n    .   45   .   ca   .   45   .   c    parsed_1i6f   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   46   .   c    .   47   .   n    .   47   .   ca   .   47   .   c    parsed_1i6f   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   47   .   c    .   48   .   n    .   48   .   ca   .   48   .   c    parsed_1i6f   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   48   .   c    .   49   .   n    .   49   .   ca   .   49   .   c    parsed_1i6f   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.0   -40.0   .   .   49   .   c    .   50   .   n    .   50   .   ca   .   50   .   c    parsed_1i6f   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   50   .   c    .   51   .   n    .   51   .   ca   .   51   .   c    parsed_1i6f   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   51   .   c    .   52   .   n    .   52   .   ca   .   52   .   c    parsed_1i6f   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   52   .   c    .   53   .   n    .   53   .   ca   .   53   .   c    parsed_1i6f   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   53   .   c    .   54   .   n    .   54   .   ca   .   54   .   c    parsed_1i6f   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   54   .   c    .   55   .   n    .   55   .   ca   .   55   .   c    parsed_1i6f   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   55   .   c    .   56   .   n    .   56   .   ca   .   56   .   c    parsed_1i6f   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   56   .   c    .   57   .   n    .   57   .   ca   .   57   .   c    parsed_1i6f   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   57   .   c    .   58   .   n    .   58   .   ca   .   58   .   c    parsed_1i6f   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   58   .   c    .   59   .   n    .   59   .   ca   .   59   .   c    parsed_1i6f   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .    2   .   n    .    2   .   ca   .    2   .   cb   .    2   .   cg   parsed_1i6f   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .    4   .   n    .    4   .   ca   .    4   .   cb   .    4   .   cg   parsed_1i6f   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.0   239.0   .   .    6   .   n    .    6   .   ca   .    6   .   cb   .    6   .   hb   parsed_1i6f   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .    7   .   n    .    7   .   ca   .    7   .   cb   .    7   .   cg   parsed_1i6f   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .    8   .   n    .    8   .   ca   .    8   .   cb   .    8   .   og   parsed_1i6f   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   11   .   n    .   11   .   ca   .   11   .   cb   .   11   .   sg   parsed_1i6f   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   12   .   n    .   12   .   ca   .   12   .   cb   .   12   .   cg   parsed_1i6f   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   14   .   n    .   14   .   ca   .   14   .   cb   .   14   .   og   parsed_1i6f   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .   15   .   n    .   15   .   ca   .   15   .   cb   .   15   .   sg   parsed_1i6f   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   16   .   n    .   16   .   ca   .   16   .   cb   .   16   .   hb   parsed_1i6f   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   18   .   n    .   18   .   ca   .   18   .   cb   .   18   .   cg   parsed_1i6f   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .   19   .   n    .   19   .   ca   .   19   .   cb   .   19   .   cg   parsed_1i6f   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.0   239.0   .   .   20   .   n    .   20   .   ca   .   20   .   cb   .   20   .   cg   parsed_1i6f   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   21   .   n    .   21   .   ca   .   21   .   cb   .   21   .   sg   parsed_1i6f   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.0   239.0   .   .   22   .   n    .   22   .   ca   .   22   .   cb   .   22   .   cg   parsed_1i6f   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .   23   .   n    .   23   .   ca   .   23   .   cb   .   23   .   cg   parsed_1i6f   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   25   .   n    .   25   .   ca   .   25   .   cb   .   25   .   sg   parsed_1i6f   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   27   .   n    .   27   .   ca   .   27   .   cb   .   27   .   cg   parsed_1i6f   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .   34   .   n    .   34   .   ca   .   34   .   cb   .   34   .   cg   parsed_1i6f   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.0   239.0   .   .   35   .   n    .   35   .   ca   .   35   .   cb   .   35   .   sg   parsed_1i6f   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -240.0     0.0   .   .   36   .   n    .   36   .   ca   .   36   .   cb   .   36   .   cg   parsed_1i6f   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   39   .   n    .   39   .   ca   .   39   .   cb   .   39   .   og   parsed_1i6f   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.0   239.0   .   .   40   .   n    .   40   .   ca   .   40   .   cb   .   40   .   sg   parsed_1i6f   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.0   239.0   .   .   41   .   n    .   41   .   ca   .   41   .   cb   .   41   .   cg   parsed_1i6f   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.0    -1.0   .   .   42   .   n    .   42   .   ca   .   42   .   cb   .   42   .   sg   parsed_1i6f   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .   48   .   n    .   48   .   ca   .   48   .   cb   .   48   .   cg   parsed_1i6f   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.0   239.0   .   .   51   .   n    .   51   .   ca   .   51   .   cb   .   51   .   hb   parsed_1i6f   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.0   239.0   .   .   52   .   n    .   52   .   ca   .   52   .   cb   .   52   .   og   parsed_1i6f   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .   53   .   n    .   53   .   ca   .   53   .   cb   .   53   .   cg   parsed_1i6f   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      1.0   119.0   .   .   54   .   n    .   54   .   ca   .   54   .   cb   .   54   .   og   parsed_1i6f   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    175.0   185.0   .   .    4   .   ca   .    4   .   c    .    5   .   n    .    5   .   ca   parsed_1i6f   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    175.0   185.0   .   .   45   .   ca   .   45   .   c    .   46   .   n    .   46   .   ca   parsed_1i6f   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    !Asp-2                                 2   1     2    8   parsed_1i6f   1   
         2   "! Y4 J=8.1"                            5   1     5   13   parsed_1i6f   1   
         3   "! V6 J=10.5"                           8   1     8   13   parsed_1i6f   1   
         4   "! D7 J=8.5 mjj"                       11   1    11   16   parsed_1i6f   1   
         5   "! S8 J=4.5"                           14   1    14   12   parsed_1i6f   1   
         6   "! K9 J=9.1"                           17   1    17   12   parsed_1i6f   1   
         7   "! C11 J=8.5)"                         20   1    20   14   parsed_1i6f   1   
         8   
;
! K12 no cosy peaks 7.2 Hz from tocsy
! L13 J=8.5 mjj
;
    23   1    24   17   parsed_1i6f   1   
         9   "! S14 no cosy 6.0 Hz from noesy"      27   1    27   33   parsed_1i6f   1   
        10   "! C15 no cosy 10.5 HZ from tocsy"     30   1    30   34   parsed_1i6f   1   
        11   "! V16 J=10.4"                         33   1    33   14   parsed_1i6f   1   
        12   "! A17 J=8.4 mjj"                      36   1    36   17   parsed_1i6f   1   
        13   "! N18 J=5.6"                          39   1    39   13   parsed_1i6f   1   
        14   "! N19 J=6.0"                          42   1    42   13   parsed_1i6f   1   
        15   "! Y20 J=4.8"                          45   1    45   13   parsed_1i6f   1   
        16   
;
! C21 no cosy
! D22
;
    48   1    49    8   parsed_1i6f   1   
        17   "! N23"                                52   1    52    7   parsed_1i6f   1   
        18   "! Q24 4.5 Hz from noesy"              55   1    55   25   parsed_1i6f   1   
        19   "! C25 J=6.0"                          58   1    58   15   parsed_1i6f   1   
        20   "! M27 J=6.3"                          61   1    61   14   parsed_1i6f   1   
        21   "! K28 J=8.5"                          64   1    64   15   parsed_1i6f   1   
        22   
;
! K29  J=7.1
! A30 9 Hz
;
    67   1    68   12   parsed_1i6f   1   
        23   "! S31 7.2 Hz 9.0 from tocsy"          71   1    71   29   parsed_1i6f   1   
        24   
;
! M34 no cosy
! C35 no cosy 10.5 Hz from tocsy
;
    74   1    75   34   parsed_1i6f   1   
        25   "! Y36 no cosy 10.0 Hz from tocsy"     78   1    78   34   parsed_1i6f   1   
        26   "! A37 J=6.8"                          81   1    81   15   parsed_1i6f   1   
        27   "! M38 no cosy"                        84   1    84   15   parsed_1i6f   1   
        28   "! S39 J=8.6"                          87   1    87   13   parsed_1i6f   1   
        29   
;
! C40 no cosy no tocsy
! Y41 no cosy 11.5 Hz from tocsy
;
    90   1    91   34   parsed_1i6f   1   
        30   "! C42 12 Hz"                          94   1    94   13   parsed_1i6f   1   
        31   
;
! E43 no cosy
! L45 J=6.5
;
    97   1    98   15   parsed_1i6f   1   
        32   "! E47 4.0 Hz"                        101   1   101   14   parsed_1i6f   1   
        33   "! N48 J=7.7 10.5 From tocsy"         104   1   104   29   parsed_1i6f   1   
        34   
;
! for 04mar98 *s*sak* remove phi for 49 to 53
! A49 J=4.9
;
   107   1   108   13   parsed_1i6f   1   
        35   "! K50 J=6.7, 8.5 from tocsy"         111   1   111   29   parsed_1i6f   1   
        36   "! V51 J=10.2"                        114   1   114   14   parsed_1i6f   1   
        37   "! S52 J=6.6"                         117   1   117   13   parsed_1i6f   1   
        38   "! D53 J=8.4"                         120   1   120   13   parsed_1i6f   1   
        39   
;
! S54 J=7.0  8.0 from tocsy
! for v5a9l_sak remove phi for S54
;
   123   1   124   36   parsed_1i6f   1   
        40   "! A55 J=6.1 6.5 from tocsy"          127   1   127   28   parsed_1i6f   1   
        41   "! T56 J=6.5 8.5 from tocsy"          130   1   130   28   parsed_1i6f   1   
        42   "! N57 J=7.7"                         133   1   133   15   parsed_1i6f   1   
        43   "! I58, J=8.0"                        136   1   136   16   parsed_1i6f   1   
        44   "! C59 no cosy"                       139   1   139   15   parsed_1i6f   1   
        45   
;
! Chi angle constraints (not edited 21July97)
! D2  t2g3 DF=B1
;
   142   1   143   18   parsed_1i6f   1   
        46   "! Y4  t2g3 UF=B1"                    146   1   146   19   parsed_1i6f   1   
        47   "! V6 t 11mar98 set to -g DF=HG1"     149   1   149   33   parsed_1i6f   1   
        48   "!D7  g2g3 UF=B1"                     152   1   152   17   parsed_1i6f   1   
        49   "! S8 g2g3 UF= B1 [01may98]"          155   1   155   29   parsed_1i6f   1   
        50   "! C11 t2g3 UF=B1"                    158   1   158   20   parsed_1i6f   1   
        51   "! K12 t2g3 DF=B1"                    161   1   161   20   parsed_1i6f   1   
        52   
;
! S14  (B2     ) g2g3 or t2g3 from noe pattern, set to 0 +/- 120 01may98
! 23apr99 set to t2g3
;
   164   1   165   23   parsed_1i6f   1   
        53   "! C15 07apr98 set to g2g3, DF=B1"    168   1   168   34   parsed_1i6f   1   
        54   "! V16 g- apr98 UF=HG2"               171   1   171   23   parsed_1i6f   1   
        55   "! N18 t2g3 DF=B1"                    174   1   174   19   parsed_1i6f   1   
        56   "! N19  g2g3 DF=B1"                   177   1   177   20   parsed_1i6f   1   
        57   "! Y20  g2t3 UF=B1"                   180   1   180   19   parsed_1i6f   1   
        58   
;
! C21 g2t3 18mar97 set to -120 +/- 120
! 15apr98, g2t3 UF=B1
! set to t2g3 05jan99
;
   183   1   185   23   parsed_1i6f   1   
        59   "! D22 g2t3 UF=B1"                    188   1   188   18   parsed_1i6f   1   
        60   "! N23  g2g3 DF=B1"                   191   1   191   20   parsed_1i6f   1   
        61   "! C25  t2g3 UF=B1"                   194   1   194   19   parsed_1i6f   1   
        62   "! M27  t2g3"                         197   1   197   13   parsed_1i6f   1   
        63   
;
! S31  (B2           )
!  assign (resid  31 and name n )  (resid  31 and name ca)
!         (resid  31 and name cb)  (resid  31 and name og)  1.0 180. 59.0 2
! H34 t2g3, DF=B1
! 18feb99 g2g3
;
   200   1   204   20   parsed_1i6f   1   
        64   "! C35 g2t3, UF=B1"                   207   1   207   26   parsed_1i6f   1   
        65   
;
!Y36 g2t3 UF=B1 07apr98
! t2g3, 06jan99
;
   210   1   211   18   parsed_1i6f   1   
        66   "! S39 t2g3 DF=B1"                    214   1   214   19   parsed_1i6f   1   
        67   "!  C40  g2t3 DF=B1"                  217   1   217   20   parsed_1i6f   1   
        68   "!Y41    g2t3 UF=B1"                  220   1   220   20   parsed_1i6f   1   
        69   "!C42   t2g3 DF=B1"                   223   1   223   19   parsed_1i6f   1   
        70   "! N48   g2g3 UF=B1"                  226   1   226   20   parsed_1i6f   1   
        71   "! V51  set to g- 10mar98 UF=HG1"     229   1   229   33   parsed_1i6f   1   
        72   "! S52   g2t3 UF=B1"                  232   1   232   20   parsed_1i6f   1   
        73   "! D53   g2g3 DF=B1"                  235   1   235   20   parsed_1i6f   1   
        74   "! S54   g2g3 DF=B1"                  238   1   238   20   parsed_1i6f   1   
        75   
;
! N57 g2g3 set UF=B1
!  assign (resid  57 and name n )  (resid  57 and name ca)
!         (resid  57 and name cb)  (resid  57 and name cg)  1.0  60.0  59.0 2
! C59   ( B1            ) g2g3
!  assign (resid  59 and name n )  (resid  59 and name ca)
!         (resid  59 and name cb)  (resid  59 and name sg)  1.0  60.0  59.0 2
! Proline omega angles;
! PRO 5
;
   241   1   248    9   parsed_1i6f   1   
        76   "! PRO 46"                            251   1   251   10   parsed_1i6f   1   
    stop_


    loop_
        _TA_constraint_parse_err.ID 
        _TA_constraint_parse_err.Content 
        _TA_constraint_parse_err.Begin_line 
        _TA_constraint_parse_err.Begin_column 
        _TA_constraint_parse_err.End_line 
        _TA_constraint_parse_err.End_column 
        _TA_constraint_parse_err.Entry_ID 
        _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 

        1   "Torsional angle constraints for CsE-v5"    1   1   1   38   parsed_1i6f   1   
    stop_

save_





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