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
278948 2kcj 16082 cing 2-parsed STAR dihedral angle 103


data_2kcj_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kcj 
    _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_2kcj   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kcj 
    _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   2kcj   "Master copy"    parsed_2kcj   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kcj 
    _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   2kcj.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2kcj   1   
        1   2kcj.mr   .   .    XPLOR/CNS     2    distance                 "hydrogen bond"      simple              38   parsed_2kcj   1   
        1   2kcj.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    103   parsed_2kcj   1   
        1   2kcj.mr   .   .    XPLOR/CNS     4    distance                  NOE                 ambi                 0   parsed_2kcj   1   
        1   2kcj.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2kcj   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2kcj 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.46    160.18   .   "   A"     0   .   N   "   A"     0   .   CA   "   A"     0   .   C    "   A"     1   .   N   parsed_2kcj   1   
          2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.57   -104.81   .   "   A"    -1   .   C   "   A"     0   .   N    "   A"     0   .   CA   "   A"     0   .   C   parsed_2kcj   1   
          3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    124.35    153.21   .   "   A"     1   .   N   "   A"     1   .   CA   "   A"     1   .   C    "   A"     2   .   N   parsed_2kcj   1   
          4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139.62   -103.30   .   "   A"     0   .   C   "   A"     1   .   N    "   A"     1   .   CA   "   A"     1   .   C   parsed_2kcj   1   
          5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    139.55    162.79   .   "   A"     2   .   N   "   A"     2   .   CA   "   A"     2   .   C    "   A"     3   .   N   parsed_2kcj   1   
          6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.70   -125.78   .   "   A"     1   .   C   "   A"     2   .   N    "   A"     2   .   CA   "   A"     2   .   C   parsed_2kcj   1   
          7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    137.44    160.04   .   "   A"     5   .   N   "   A"     5   .   CA   "   A"     5   .   C    "   A"     6   .   N   parsed_2kcj   1   
          8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -151.64   -120.94   .   "   A"     4   .   C   "   A"     5   .   N    "   A"     5   .   CA   "   A"     5   .   C   parsed_2kcj   1   
          9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.01    148.23   .   "   A"     7   .   N   "   A"     7   .   CA   "   A"     7   .   C    "   A"     8   .   N   parsed_2kcj   1   
         10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.51    -99.45   .   "   A"     6   .   C   "   A"     7   .   N    "   A"     7   .   CA   "   A"     7   .   C   parsed_2kcj   1   
         11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.92     -3.80   .   "   A"    11   .   N   "   A"    11   .   CA   "   A"    11   .   C    "   A"    12   .   N   parsed_2kcj   1   
         12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.21    -52.29   .   "   A"    10   .   C   "   A"    11   .   N    "   A"    11   .   CA   "   A"    11   .   C   parsed_2kcj   1   
         13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -40.60    -25.24   .   "   A"    12   .   N   "   A"    12   .   CA   "   A"    12   .   C    "   A"    13   .   N   parsed_2kcj   1   
         14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.11    -54.89   .   "   A"    11   .   C   "   A"    12   .   N    "   A"    12   .   CA   "   A"    12   .   C   parsed_2kcj   1   
         15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.95    171.45   .   "   A"    16   .   N   "   A"    16   .   CA   "   A"    16   .   C    "   A"    17   .   N   parsed_2kcj   1   
         16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130.77   -103.09   .   "   A"    15   .   C   "   A"    16   .   N    "   A"    16   .   CA   "   A"    16   .   C   parsed_2kcj   1   
         17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.96    159.78   .   "   A"    18   .   N   "   A"    18   .   CA   "   A"    18   .   C    "   A"    19   .   N   parsed_2kcj   1   
         18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.30    -90.78   .   "   A"    17   .   C   "   A"    18   .   N    "   A"    18   .   CA   "   A"    18   .   C   parsed_2kcj   1   
         19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.49    140.25   .   "   A"    19   .   N   "   A"    19   .   CA   "   A"    19   .   C    "   A"    20   .   N   parsed_2kcj   1   
         20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.35    -95.53   .   "   A"    18   .   C   "   A"    19   .   N    "   A"    19   .   CA   "   A"    19   .   C   parsed_2kcj   1   
         21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.79    158.63   .   "   A"    20   .   N   "   A"    20   .   CA   "   A"    20   .   C    "   A"    21   .   N   parsed_2kcj   1   
         22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.25    -99.97   .   "   A"    19   .   C   "   A"    20   .   N    "   A"    20   .   CA   "   A"    20   .   C   parsed_2kcj   1   
         23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.12    134.28   .   "   A"    21   .   N   "   A"    21   .   CA   "   A"    21   .   C    "   A"    22   .   N   parsed_2kcj   1   
         24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.38   -121.22   .   "   A"    20   .   C   "   A"    21   .   N    "   A"    21   .   CA   "   A"    21   .   C   parsed_2kcj   1   
         25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.83    142.89   .   "   A"    22   .   N   "   A"    22   .   CA   "   A"    22   .   C    "   A"    23   .   N   parsed_2kcj   1   
         26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.42   -104.86   .   "   A"    21   .   C   "   A"    22   .   N    "   A"    22   .   CA   "   A"    22   .   C   parsed_2kcj   1   
         27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.75    151.05   .   "   A"    23   .   N   "   A"    23   .   CA   "   A"    23   .   C    "   A"    24   .   N   parsed_2kcj   1   
         28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.73    -85.23   .   "   A"    22   .   C   "   A"    23   .   N    "   A"    23   .   CA   "   A"    23   .   C   parsed_2kcj   1   
         29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.96    159.48   .   "   A"    26   .   N   "   A"    26   .   CA   "   A"    26   .   C    "   A"    27   .   N   parsed_2kcj   1   
         30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.96    -98.22   .   "   A"    25   .   C   "   A"    26   .   N    "   A"    26   .   CA   "   A"    26   .   C   parsed_2kcj   1   
         31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.86    129.00   .   "   A"    27   .   N   "   A"    27   .   CA   "   A"    27   .   C    "   A"    28   .   N   parsed_2kcj   1   
         32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.04    -92.62   .   "   A"    26   .   C   "   A"    27   .   N    "   A"    27   .   CA   "   A"    27   .   C   parsed_2kcj   1   
         33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125.56    148.50   .   "   A"    28   .   N   "   A"    28   .   CA   "   A"    28   .   C    "   A"    29   .   N   parsed_2kcj   1   
         34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.57   -108.35   .   "   A"    27   .   C   "   A"    28   .   N    "   A"    28   .   CA   "   A"    28   .   C   parsed_2kcj   1   
         35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    151.10    177.28   .   "   A"    30   .   N   "   A"    30   .   CA   "   A"    30   .   C    "   A"    31   .   N   parsed_2kcj   1   
         36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.42    -89.40   .   "   A"    29   .   C   "   A"    30   .   N    "   A"    30   .   CA   "   A"    30   .   C   parsed_2kcj   1   
         37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -36.32    -16.54   .   "   A"    31   .   N   "   A"    31   .   CA   "   A"    31   .   C    "   A"    32   .   N   parsed_2kcj   1   
         38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -79.77    -58.45   .   "   A"    30   .   C   "   A"    31   .   N    "   A"    31   .   CA   "   A"    31   .   C   parsed_2kcj   1   
         39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.48    -35.00   .   "   A"    36   .   N   "   A"    36   .   CA   "   A"    36   .   C    "   A"    37   .   N   parsed_2kcj   1   
         40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.80    -54.24   .   "   A"    35   .   C   "   A"    36   .   N    "   A"    36   .   CA   "   A"    36   .   C   parsed_2kcj   1   
         41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -29.81      0.01   .   "   A"    37   .   N   "   A"    37   .   CA   "   A"    37   .   C    "   A"    38   .   N   parsed_2kcj   1   
         42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -89.16    -58.72   .   "   A"    36   .   C   "   A"    37   .   N    "   A"    37   .   CA   "   A"    37   .   C   parsed_2kcj   1   
         43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.63    150.01   .   "   A"    44   .   N   "   A"    44   .   CA   "   A"    44   .   C    "   A"    45   .   N   parsed_2kcj   1   
         44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.13   -113.03   .   "   A"    43   .   C   "   A"    44   .   N    "   A"    44   .   CA   "   A"    44   .   C   parsed_2kcj   1   
         45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -27.57    -10.11   .   "   A"    47   .   N   "   A"    47   .   CA   "   A"    47   .   C    "   A"    48   .   N   parsed_2kcj   1   
         46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.42    -59.36   .   "   A"    46   .   C   "   A"    47   .   N    "   A"    47   .   CA   "   A"    47   .   C   parsed_2kcj   1   
         47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -12.06     13.14   .   "   A"    48   .   N   "   A"    48   .   CA   "   A"    48   .   C    "   A"    49   .   N   parsed_2kcj   1   
         48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -124.27    -96.01   .   "   A"    47   .   C   "   A"    48   .   N    "   A"    48   .   CA   "   A"    48   .   C   parsed_2kcj   1   
         49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.59    145.65   .   "   A"    50   .   N   "   A"    50   .   CA   "   A"    50   .   C    "   A"    51   .   N   parsed_2kcj   1   
         50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130.07    -89.77   .   "   A"    49   .   C   "   A"    50   .   N    "   A"    50   .   CA   "   A"    50   .   C   parsed_2kcj   1   
         51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.22    129.70   .   "   A"    51   .   N   "   A"    51   .   CA   "   A"    51   .   C    "   A"    52   .   N   parsed_2kcj   1   
         52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129.58   -100.40   .   "   A"    50   .   C   "   A"    51   .   N    "   A"    51   .   CA   "   A"    51   .   C   parsed_2kcj   1   
         53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.27    154.81   .   "   A"    52   .   N   "   A"    52   .   CA   "   A"    52   .   C    "   A"    53   .   N   parsed_2kcj   1   
         54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.03    -86.21   .   "   A"    51   .   C   "   A"    52   .   N    "   A"    52   .   CA   "   A"    52   .   C   parsed_2kcj   1   
         55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.30    146.78   .   "   A"    53   .   N   "   A"    53   .   CA   "   A"    53   .   C    "   A"    54   .   N   parsed_2kcj   1   
         56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.57    -79.43   .   "   A"    52   .   C   "   A"    53   .   N    "   A"    53   .   CA   "   A"    53   .   C   parsed_2kcj   1   
         57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    132.35    155.93   .   "   A"    61   .   N   "   A"    61   .   CA   "   A"    61   .   C    "   A"    62   .   N   parsed_2kcj   1   
         58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152.64   -135.50   .   "   A"    60   .   C   "   A"    61   .   N    "   A"    61   .   CA   "   A"    61   .   C   parsed_2kcj   1   
         59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    124.46    147.86   .   "   A"    62   .   N   "   A"    62   .   CA   "   A"    62   .   C    "   A"    63   .   N   parsed_2kcj   1   
         60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.77   -114.15   .   "   A"    61   .   C   "   A"    62   .   N    "   A"    62   .   CA   "   A"    62   .   C   parsed_2kcj   1   
         61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.50    140.50   .   "   A"    63   .   N   "   A"    63   .   CA   "   A"    63   .   C    "   A"    64   .   N   parsed_2kcj   1   
         62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.76    -96.66   .   "   A"    62   .   C   "   A"    63   .   N    "   A"    63   .   CA   "   A"    63   .   C   parsed_2kcj   1   
         63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.74    137.18   .   "   A"    64   .   N   "   A"    64   .   CA   "   A"    64   .   C    "   A"    65   .   N   parsed_2kcj   1   
         64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.79   -101.47   .   "   A"    63   .   C   "   A"    64   .   N    "   A"    64   .   CA   "   A"    64   .   C   parsed_2kcj   1   
         65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.28    158.58   .   "   A"    65   .   N   "   A"    65   .   CA   "   A"    65   .   C    "   A"    66   .   N   parsed_2kcj   1   
         66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.19    -86.59   .   "   A"    64   .   C   "   A"    65   .   N    "   A"    65   .   CA   "   A"    65   .   C   parsed_2kcj   1   
         67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.00    146.02   .   "   A"    71   .   N   "   A"    71   .   CA   "   A"    71   .   C    "   A"    72   .   N   parsed_2kcj   1   
         68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.05    -93.37   .   "   A"    70   .   C   "   A"    71   .   N    "   A"    71   .   CA   "   A"    71   .   C   parsed_2kcj   1   
         69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.68    147.08   .   "   A"    72   .   N   "   A"    72   .   CA   "   A"    72   .   C    "   A"    73   .   N   parsed_2kcj   1   
         70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -110.16    -89.32   .   "   A"    71   .   C   "   A"    72   .   N    "   A"    72   .   CA   "   A"    72   .   C   parsed_2kcj   1   
         71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    139.13    161.47   .   "   A"    73   .   N   "   A"    73   .   CA   "   A"    73   .   C    "   A"    74   .   N   parsed_2kcj   1   
         72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.29   -122.15   .   "   A"    72   .   C   "   A"    73   .   N    "   A"    73   .   CA   "   A"    73   .   C   parsed_2kcj   1   
         73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.62    144.50   .   "   A"    74   .   N   "   A"    74   .   CA   "   A"    74   .   C    "   A"    75   .   N   parsed_2kcj   1   
         74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.32   -115.50   .   "   A"    73   .   C   "   A"    74   .   N    "   A"    74   .   CA   "   A"    74   .   C   parsed_2kcj   1   
         75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.04    -55.50   .   "   A"    75   .   C   "   A"    76   .   N    "   A"    76   .   CA   "   A"    76   .   C   parsed_2kcj   1   
         76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.74    -32.68   .   "   A"    79   .   N   "   A"    79   .   CA   "   A"    79   .   C    "   A"    80   .   N   parsed_2kcj   1   
         77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.49    -61.63   .   "   A"    78   .   C   "   A"    79   .   N    "   A"    79   .   CA   "   A"    79   .   C   parsed_2kcj   1   
         78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -48.46    -23.46   .   "   A"    80   .   N   "   A"    80   .   CA   "   A"    80   .   C    "   A"    81   .   N   parsed_2kcj   1   
         79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75.33    -61.69   .   "   A"    79   .   C   "   A"    80   .   N    "   A"    80   .   CA   "   A"    80   .   C   parsed_2kcj   1   
         80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -45.24    -36.46   .   "   A"    81   .   N   "   A"    81   .   CA   "   A"    81   .   C    "   A"    82   .   N   parsed_2kcj   1   
         81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.61    -57.39   .   "   A"    80   .   C   "   A"    81   .   N    "   A"    81   .   CA   "   A"    81   .   C   parsed_2kcj   1   
         82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.82    -33.46   .   "   A"    82   .   N   "   A"    82   .   CA   "   A"    82   .   C    "   A"    83   .   N   parsed_2kcj   1   
         83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.15    -55.95   .   "   A"    81   .   C   "   A"    82   .   N    "   A"    82   .   CA   "   A"    82   .   C   parsed_2kcj   1   
         84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -42.79    -34.65   .   "   A"    83   .   N   "   A"    83   .   CA   "   A"    83   .   C    "   A"    84   .   N   parsed_2kcj   1   
         85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.43    -61.77   .   "   A"    82   .   C   "   A"    83   .   N    "   A"    83   .   CA   "   A"    83   .   C   parsed_2kcj   1   
         86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.07    -35.87   .   "   A"    84   .   N   "   A"    84   .   CA   "   A"    84   .   C    "   A"    85   .   N   parsed_2kcj   1   
         87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.11    -61.73   .   "   A"    83   .   C   "   A"    84   .   N    "   A"    84   .   CA   "   A"    84   .   C   parsed_2kcj   1   
         88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.45    -35.81   .   "   A"    85   .   N   "   A"    85   .   CA   "   A"    85   .   C    "   A"    86   .   N   parsed_2kcj   1   
         89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.74    -57.16   .   "   A"    84   .   C   "   A"    85   .   N    "   A"    85   .   CA   "   A"    85   .   C   parsed_2kcj   1   
         90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.88    -38.38   .   "   A"    86   .   N   "   A"    86   .   CA   "   A"    86   .   C    "   A"    87   .   N   parsed_2kcj   1   
         91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.50    -64.64   .   "   A"    85   .   C   "   A"    86   .   N    "   A"    86   .   CA   "   A"    86   .   C   parsed_2kcj   1   
         92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.48    -38.60   .   "   A"    87   .   N   "   A"    87   .   CA   "   A"    87   .   C    "   A"    88   .   N   parsed_2kcj   1   
         93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.84    -60.66   .   "   A"    86   .   C   "   A"    87   .   N    "   A"    87   .   CA   "   A"    87   .   C   parsed_2kcj   1   
         94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -43.95    -32.23   .   "   A"    88   .   N   "   A"    88   .   CA   "   A"    88   .   C    "   A"    89   .   N   parsed_2kcj   1   
         95   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.20    -56.08   .   "   A"    87   .   C   "   A"    88   .   N    "   A"    88   .   CA   "   A"    88   .   C   parsed_2kcj   1   
         96   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -44.38    -30.82   .   "   A"    89   .   N   "   A"    89   .   CA   "   A"    89   .   C    "   A"    90   .   N   parsed_2kcj   1   
         97   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.44    -59.78   .   "   A"    88   .   C   "   A"    89   .   N    "   A"    89   .   CA   "   A"    89   .   C   parsed_2kcj   1   
         98   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.09    -26.15   .   "   A"    90   .   N   "   A"    90   .   CA   "   A"    90   .   C    "   A"    91   .   N   parsed_2kcj   1   
         99   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.35    -55.81   .   "   A"    89   .   C   "   A"    90   .   N    "   A"    90   .   CA   "   A"    90   .   C   parsed_2kcj   1   
        100   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.23    -28.97   .   "   A"    91   .   N   "   A"    91   .   CA   "   A"    91   .   C    "   A"    92   .   N   parsed_2kcj   1   
        101   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.92    -57.78   .   "   A"    90   .   C   "   A"    91   .   N    "   A"    91   .   CA   "   A"    91   .   C   parsed_2kcj   1   
        102   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.51    -22.51   .   "   A"    92   .   N   "   A"    92   .   CA   "   A"    92   .   C    "   A"    93   .   N   parsed_2kcj   1   
        103   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.83    -56.65   .   "   A"    91   .   C   "   A"    92   .   N    "   A"    92   .   CA   "   A"    92   .   C   parsed_2kcj   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   
;
ASSIGN  (segid "   A" and  resid 76   and name N   ) (segid "   A" and resiyd 84   and name CA  )
(segid "   A" and  resid 76   and name C   ) (segid "   A" and resiyd 85   and name N   )  1.00 -23.61 14.15 2
;
   223   2   224   121   parsed_2kcj   1   
        2   
;
ASSIGN  (segid "   A" and  resid 77   and name N   ) (segid "   A" and resiyd 85   and name CA  )
(segid "   A" and  resid 77   and name C   ) (segid "   A" and resiyd 86   and name N   )  1.00  -9.49 20.18 2
ASSIGN  (segid "   A" and  resid 76   and name C   ) (segid "   A" and resiyd 85   and name N   )
(segid "   A" and  resid 77   and name CA  ) (segid "   A" and resiyd 85   and name C   )  1.00 -98.30 18.31 2
;
   229   2   233   121   parsed_2kcj   1   
    stop_

save_





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