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
487336 2kpy 16111 cing 2-parsed STAR dihedral angle 58


data_2kpy_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kpy 
    _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_2kpy   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kpy 
    _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   2kpy   "Master copy"    parsed_2kpy   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kpy 
    _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   2kpy.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2kpy   1   
        1   2kpy.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             1172   parsed_2kpy   1   
        1   2kpy.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"      58   parsed_2kpy   1   
        1   2kpy.mr   .   .    XPLOR/CNS     4    unknown                  "Not applicable"    "Not applicable"       0   parsed_2kpy   1   
        1   2kpy.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2kpy   1   
    stop_

save_


save_DYANA/DIANA_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2kpy 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _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   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147.700    -84.480   .   .    5   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
         2   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.210    151.270   .   .    5   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
         3   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.980   -121.280   .   .    6   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
         4   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    128.980    149.840   .   .    6   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
         5   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.510   -113.730   .   .    7   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
         6   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.420    136.740   .   .    7   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
         7   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.630   -106.030   .   .    8   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
         8   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.550    154.450   .   .    8   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
         9   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.360    -54.560   .   .   20   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        10   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -48.820    -30.200   .   .   20   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        11   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.060    -61.420   .   .   21   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        12   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -41.960    -30.06    .   .   21   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        13   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.440    -54.000   .   .   23   ASP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        14   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.630    -27.95    .   .   23   ASP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        15   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64.620    -56.280   .   .   24   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        16   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -48.770    -33.49    .   .   24   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        17   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81.170    -63.010   .   .   25   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        18   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -41.750    -22.79    .   .   25   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        19   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.520    -51.360   .   .   26   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        20   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.340    -11.14    .   .   26   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        21   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.330    -56.410   .   .   27   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        22   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.990    -27.63    .   .   27   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        23   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.420    -58.440   .   .   28   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        24   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -40.400    -21.70    .   .   28   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        25   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -96.810    -74.730   .   .   29   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        26   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -41.420     -5.820   .   .   29   TRP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        27   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.140    -71.040   .   .   30   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        28   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -18.800     22.220   .   .   30   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        29   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.100    -63.940   .   .   33   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        30   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.290     24.830   .   .   33   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        31   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.530    -97.590   .   .   36   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        32   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    139.150    162.030   .   .   36   ALA    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        33   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.420   -122.360   .   .   37   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        34   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    138.690    164.750   .   .   37   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        35   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -163.830   -130.250   .   .   38   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        36   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    126.330    157.810   .   .   38   HIS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        37   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.770    -90.250   .   .   39   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        38   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.730    130.390   .   .   39   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        39   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -108.920    -61.920   .   .   44   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        40   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.170    147.890   .   .   44   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        41   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -117.500    -72.800   .   .   45   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        42   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    128.430    151.190   .   .   45   GLU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        43   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.900    -93.440   .   .   46   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        44   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.930    147.670   .   .   46   SER    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        45   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.400   -113.860   .   .   47   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        46   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.420    136.120   .   .   47   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        47   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.890    -91.610   .   .   48   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        48   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.340    161.800   .   .   48   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        49   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.570   -127.850   .   .   49   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        50   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    148.830    168.670   .   .   49   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        51   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -158.460   -101.560   .   .   50   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        52   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    137.090    160.370   .   .   50   TYR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        53   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.910   -112.950   .   .   51   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        54   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    134.180    154.980   .   .   51   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        55   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.230    -68.730   .   .   52   ASP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        56   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.410    137.810   .   .   52   ASP    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        57   PHI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.550   -114.090   .   .   53   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   1   
        58   PSI   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    153.850    185.070   .   .   53   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2kpy   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   dihedrals   1   1   1   10   parsed_2kpy   1   
    stop_

save_





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