NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type item_count
51925 2kbs cing 2-parsed STAR dihedral angle 94


data_2kbs_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kbs 
    _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_2kbs   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kbs 
    _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   2kbs   "Master copy"    parsed_2kbs   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kbs 
    _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   2kbs.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2kbs   1   
        1   2kbs.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1993   parsed_2kbs   1   
        1   2kbs.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      94   parsed_2kbs   1   
        1   2kbs.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple                0   parsed_2kbs   1   
        1   2kbs.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2kbs   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2kbs 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -177.20    -57.76   .   A    10   .   c   A    11   .   n    A    11   .   ca   A    11   .   c   parsed_2kbs   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.87    161.47   .   A    10   .   n   A    10   .   ca   A    10   .   c    A    11   .   n   parsed_2kbs   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -173.42    -86.46   .   A    11   .   c   A    12   .   n    A    12   .   ca   A    12   .   c   parsed_2kbs   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.00    166.84   .   A    11   .   n   A    11   .   ca   A    11   .   c    A    12   .   n   parsed_2kbs   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.09    -76.25   .   A    12   .   c   A    13   .   n    A    13   .   ca   A    13   .   c   parsed_2kbs   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.25    170.81   .   A    12   .   n   A    12   .   ca   A    12   .   c    A    13   .   n   parsed_2kbs   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.42    -79.22   .   A    13   .   c   A    14   .   n    A    14   .   ca   A    14   .   c   parsed_2kbs   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123.86    165.66   .   A    13   .   n   A    13   .   ca   A    13   .   c    A    14   .   n   parsed_2kbs   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147.19    -98.03   .   A    14   .   c   A    15   .   n    A    15   .   ca   A    15   .   c   parsed_2kbs   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.92    158.44   .   A    14   .   n   A    14   .   ca   A    14   .   c    A    15   .   n   parsed_2kbs   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.48   -106.44   .   A    15   .   c   A    16   .   n    A    16   .   ca   A    16   .   c   parsed_2kbs   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.03    143.99   .   A    15   .   n   A    15   .   ca   A    15   .   c    A    16   .   n   parsed_2kbs   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.40   -115.08   .   A    25   .   c   A    26   .   n    A    26   .   ca   A    26   .   c   parsed_2kbs   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    146.10    180.38   .   A    25   .   n   A    25   .   ca   A    25   .   c    A    26   .   n   parsed_2kbs   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.84    -93.68   .   A    26   .   c   A    27   .   n    A    27   .   ca   A    27   .   c   parsed_2kbs   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    121.88    173.32   .   A    26   .   n   A    26   .   ca   A    26   .   c    A    27   .   n   parsed_2kbs   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.61   -104.53   .   A    27   .   c   A    28   .   n    A    28   .   ca   A    28   .   c   parsed_2kbs   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.1     175.9    .   A    27   .   n   A    27   .   ca   A    27   .   c    A    28   .   n   parsed_2kbs   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -164.80   -105.52   .   A    28   .   c   A    29   .   n    A    29   .   ca   A    29   .   c   parsed_2kbs   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.19    161.43   .   A    28   .   n   A    28   .   ca   A    28   .   c    A    29   .   n   parsed_2kbs   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.23    -88.83   .   A    29   .   c   A    30   .   n    A    30   .   ca   A    30   .   c   parsed_2kbs   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.35    154.91   .   A    29   .   n   A    29   .   ca   A    29   .   c    A    30   .   n   parsed_2kbs   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.00   -100.72   .   A    37   .   c   A    38   .   n    A    38   .   ca   A    38   .   c   parsed_2kbs   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.96    153.08   .   A    37   .   n   A    37   .   ca   A    37   .   c    A    38   .   n   parsed_2kbs   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -161.30   -107.86   .   A    38   .   c   A    39   .   n    A    39   .   ca   A    39   .   c   parsed_2kbs   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.05    197.93   .   A    38   .   n   A    38   .   ca   A    38   .   c    A    39   .   n   parsed_2kbs   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -106.01    -67.41   .   A    39   .   c   A    40   .   n    A    40   .   ca   A    40   .   c   parsed_2kbs   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89.03    154.55   .   A    39   .   n   A    39   .   ca   A    39   .   c    A    40   .   n   parsed_2kbs   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -119.2     -42.2    .   A    40   .   c   A    41   .   n    A    41   .   ca   A    41   .   c   parsed_2kbs   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99.30    189.94   .   A    40   .   n   A    40   .   ca   A    40   .   c    A    41   .   n   parsed_2kbs   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.31    -95.83   .   A    42   .   c   A    43   .   n    A    43   .   ca   A    43   .   c   parsed_2kbs   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.64    157.80   .   A    42   .   n   A    42   .   ca   A    42   .   c    A    43   .   n   parsed_2kbs   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.74    -53.10   .   A    47   .   c   A    48   .   n    A    48   .   ca   A    48   .   c   parsed_2kbs   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.57    -21.01   .   A    47   .   n   A    47   .   ca   A    47   .   c    A    48   .   n   parsed_2kbs   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77.08    -52.56   .   A    48   .   c   A    49   .   n    A    49   .   ca   A    49   .   c   parsed_2kbs   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.31    -30.75   .   A    48   .   n   A    48   .   ca   A    48   .   c    A    49   .   n   parsed_2kbs   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.33    -59.41   .   A    49   .   c   A    50   .   n    A    50   .   ca   A    50   .   c   parsed_2kbs   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.26    -28.22   .   A    49   .   n   A    49   .   ca   A    49   .   c    A    50   .   n   parsed_2kbs   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.49    -42.45   .   A    50   .   c   A    51   .   n    A    51   .   ca   A    51   .   c   parsed_2kbs   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61.14     -5.82   .   A    50   .   n   A    50   .   ca   A    50   .   c    A    51   .   n   parsed_2kbs   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.44    -69.52   .   A    58   .   c   A    59   .   n    A    59   .   ca   A    59   .   c   parsed_2kbs   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     91.39    182.67   .   A    58   .   n   A    58   .   ca   A    58   .   c    A    59   .   n   parsed_2kbs   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -113.04    -34.28   .   A    59   .   c   A    60   .   n    A    60   .   ca   A    60   .   c   parsed_2kbs   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.23    150.55   .   A    59   .   n   A    59   .   ca   A    59   .   c    A    60   .   n   parsed_2kbs   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -187.93   -105.97   .   A    61   .   c   A    62   .   n    A    62   .   ca   A    62   .   c   parsed_2kbs   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.57    181.53   .   A    61   .   n   A    61   .   ca   A    61   .   c    A    62   .   n   parsed_2kbs   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -114.03    -65.23   .   A    65   .   c   A    66   .   n    A    66   .   ca   A    66   .   c   parsed_2kbs   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.09    155.49   .   A    65   .   n   A    65   .   ca   A    65   .   c    A    66   .   n   parsed_2kbs   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.22    -52.02   .   A    66   .   c   A    67   .   n    A    67   .   ca   A    67   .   c   parsed_2kbs   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     97.57    152.17   .   A    66   .   n   A    66   .   ca   A    66   .   c    A    67   .   n   parsed_2kbs   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.80    -26.48   .   A    71   .   c   A    72   .   n    A    72   .   ca   A    72   .   c   parsed_2kbs   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99.58    174.26   .   A    71   .   n   A    71   .   ca   A    71   .   c    A    72   .   n   parsed_2kbs   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -66.81    -40.05   .   A    72   .   c   A    73   .   n    A    73   .   ca   A    73   .   c   parsed_2kbs   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.74    -30.42   .   A    72   .   n   A    72   .   ca   A    72   .   c    A    73   .   n   parsed_2kbs   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.73    -48.01   .   A    73   .   c   A    74   .   n    A    74   .   ca   A    74   .   c   parsed_2kbs   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.42    -26.22   .   A    73   .   n   A    73   .   ca   A    73   .   c    A    74   .   n   parsed_2kbs   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.09    -58.21   .   A    74   .   c   A    75   .   n    A    75   .   ca   A    75   .   c   parsed_2kbs   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.58    -30.26   .   A    74   .   n   A    74   .   ca   A    74   .   c    A    75   .   n   parsed_2kbs   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.28    -54.52   .   A    75   .   c   A    76   .   n    A    76   .   ca   A    76   .   c   parsed_2kbs   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.20    -35.36   .   A    75   .   n   A    75   .   ca   A    75   .   c    A    76   .   n   parsed_2kbs   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.85    -55.09   .   A    76   .   c   A    77   .   n    A    77   .   ca   A    77   .   c   parsed_2kbs   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.10    -35.46   .   A    76   .   n   A    76   .   ca   A    76   .   c    A    77   .   n   parsed_2kbs   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.14    -47.54   .   A    77   .   c   A    78   .   n    A    78   .   ca   A    78   .   c   parsed_2kbs   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.79    -18.67   .   A    77   .   n   A    77   .   ca   A    77   .   c    A    78   .   n   parsed_2kbs   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.59    -51.87   .   A    78   .   c   A    79   .   n    A    79   .   ca   A    79   .   c   parsed_2kbs   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.78    -36.06   .   A    78   .   n   A    78   .   ca   A    78   .   c    A    79   .   n   parsed_2kbs   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -82.56    -42.28   .   A    79   .   c   A    80   .   n    A    80   .   ca   A    80   .   c   parsed_2kbs   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.21    -18.01   .   A    79   .   n   A    79   .   ca   A    79   .   c    A    80   .   n   parsed_2kbs   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -88.39    -48.23   .   A    80   .   c   A    81   .   n    A    81   .   ca   A    81   .   c   parsed_2kbs   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67.03      3.77   .   A    80   .   n   A    80   .   ca   A    80   .   c    A    81   .   n   parsed_2kbs   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167.37    -73.09   .   A    85   .   c   A    86   .   n    A    86   .   ca   A    86   .   c   parsed_2kbs   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.71    146.15   .   A    85   .   n   A    85   .   ca   A    85   .   c    A    86   .   n   parsed_2kbs   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.07    -87.67   .   A    86   .   c   A    87   .   n    A    87   .   ca   A    87   .   c   parsed_2kbs   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.99    139.31   .   A    86   .   n   A    86   .   ca   A    86   .   c    A    87   .   n   parsed_2kbs   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139.25    -93.33   .   A    87   .   c   A    88   .   n    A    88   .   ca   A    88   .   c   parsed_2kbs   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.80    144.16   .   A    87   .   n   A    87   .   ca   A    87   .   c    A    88   .   n   parsed_2kbs   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139.60    -81.72   .   A    88   .   c   A    89   .   n    A    89   .   ca   A    89   .   c   parsed_2kbs   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    103.65    149.45   .   A    88   .   n   A    88   .   ca   A    88   .   c    A    89   .   n   parsed_2kbs   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147.72   -109.72   .   A    89   .   c   A    90   .   n    A    90   .   ca   A    90   .   c   parsed_2kbs   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.56    168.68   .   A    89   .   n   A    89   .   ca   A    89   .   c    A    90   .   n   parsed_2kbs   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129.60    -55.44   .   A    90   .   c   A    91   .   n    A    91   .   ca   A    91   .   c   parsed_2kbs   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.52    152.68   .   A    90   .   n   A    90   .   ca   A    90   .   c    A    91   .   n   parsed_2kbs   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.16    -53.12   .   A    92   .   c   A    93   .   n    A    93   .   ca   A    93   .   c   parsed_2kbs   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.06    -17.46   .   A    92   .   n   A    92   .   ca   A    92   .   c    A    93   .   n   parsed_2kbs   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.28    -57.60   .   A    94   .   c   A    95   .   n    A    95   .   ca   A    95   .   c   parsed_2kbs   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.14    -32.10   .   A    94   .   n   A    94   .   ca   A    94   .   c    A    95   .   n   parsed_2kbs   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.19    -48.43   .   A    95   .   c   A    96   .   n    A    96   .   ca   A    96   .   c   parsed_2kbs   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.31    -34.75   .   A    95   .   n   A    95   .   ca   A    95   .   c    A    96   .   n   parsed_2kbs   1   
        89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.96    -51.80   .   A    96   .   c   A    97   .   n    A    97   .   ca   A    97   .   c   parsed_2kbs   1   
        90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.73    -29.81   .   A    96   .   n   A    96   .   ca   A    96   .   c    A    97   .   n   parsed_2kbs   1   
        91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.96    -78.12   .   B   115   .   c   B   116   .   n    B   116   .   ca   B   116   .   c   parsed_2kbs   1   
        92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.77    185.21   .   B   115   .   n   B   115   .   ca   B   115   .   c    B   116   .   n   parsed_2kbs   1   
        93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148.38    -88.38   .   B   116   .   c   B   117   .   n    B   117   .   ca   B   117   .   c   parsed_2kbs   1   
        94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     98.92    150.92   .   B   116   .   n   B   116   .   ca   B   116   .   c    B   117   .   n   parsed_2kbs   1   
    stop_


    loop_
        _TA_constraint_comment_org.ID 
        _TA_constraint_comment_org.Comment_text 
        _TA_constraint_comment_org.Comment_begin_line 
        _TA_constraint_comment_org.Comment_begin_column 
        _TA_constraint_comment_org.Comment_end_line 
        _TA_constraint_comment_org.Comment_end_column 
        _TA_constraint_comment_org.Entry_ID 
        _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 

         1   "phi: 10 - 11"        1   1     1   17   parsed_2kbs   1   
         2   "psi: 10 - 11"        5   1     5   17   parsed_2kbs   1   
         3   "phi: 11 - 12"        9   1     9   17   parsed_2kbs   1   
         4   "psi: 11 - 12"       13   1    13   17   parsed_2kbs   1   
         5   "phi: 12 - 13"       17   1    17   17   parsed_2kbs   1   
         6   "psi: 12 - 13"       21   1    21   17   parsed_2kbs   1   
         7   "phi: 13 - 14"       25   1    25   17   parsed_2kbs   1   
         8   "psi: 13 - 14"       29   1    29   17   parsed_2kbs   1   
         9   "phi: 14 - 15"       33   1    33   17   parsed_2kbs   1   
        10   "psi: 14 - 15"       37   1    37   17   parsed_2kbs   1   
        11   "phi: 15 - 16"       41   1    41   17   parsed_2kbs   1   
        12   "psi: 15 - 16"       45   1    45   17   parsed_2kbs   1   
        13   "phi: 25 - 26"       49   1    49   17   parsed_2kbs   1   
        14   "psi: 25 - 26"       53   1    53   17   parsed_2kbs   1   
        15   "phi: 26 - 27"       57   1    57   17   parsed_2kbs   1   
        16   "psi: 26 - 27"       61   1    61   17   parsed_2kbs   1   
        17   "phi: 27 - 28"       65   1    65   17   parsed_2kbs   1   
        18   "psi: 27 - 28"       69   1    69   17   parsed_2kbs   1   
        19   "phi: 28 - 29"       73   1    73   17   parsed_2kbs   1   
        20   "psi: 28 - 29"       77   1    77   17   parsed_2kbs   1   
        21   "phi: 29 - 30"       81   1    81   17   parsed_2kbs   1   
        22   "psi: 29 - 30"       85   1    85   17   parsed_2kbs   1   
        23   "phi: 37 - 38"       89   1    89   17   parsed_2kbs   1   
        24   "psi: 37 - 38"       93   1    93   17   parsed_2kbs   1   
        25   "phi: 38 - 39"       97   1    97   17   parsed_2kbs   1   
        26   "psi: 38 - 39"      101   1   101   17   parsed_2kbs   1   
        27   "phi: 39 - 40"      105   1   105   17   parsed_2kbs   1   
        28   "psi: 39 - 40"      109   1   109   17   parsed_2kbs   1   
        29   "phi: 40 - 41"      113   1   113   17   parsed_2kbs   1   
        30   "psi: 40 - 41"      117   1   117   17   parsed_2kbs   1   
        31   "phi: 42 - 43"      121   1   121   17   parsed_2kbs   1   
        32   "psi: 42 - 43"      125   1   125   17   parsed_2kbs   1   
        33   "phi: 47 - 48"      129   1   129   17   parsed_2kbs   1   
        34   "psi: 47 - 48"      133   1   133   17   parsed_2kbs   1   
        35   "phi: 48 - 49"      137   1   137   17   parsed_2kbs   1   
        36   "psi: 48 - 49"      141   1   141   17   parsed_2kbs   1   
        37   "phi: 49 - 50"      145   1   145   17   parsed_2kbs   1   
        38   "psi: 49 - 50"      149   1   149   17   parsed_2kbs   1   
        39   "phi: 50 - 51"      153   1   153   17   parsed_2kbs   1   
        40   "psi: 50 - 51"      157   1   157   17   parsed_2kbs   1   
        41   "phi: 58 - 59"      162   1   162   17   parsed_2kbs   1   
        42   "psi: 58 - 59"      166   1   166   17   parsed_2kbs   1   
        43   "phi: 59 - 60"      170   1   170   17   parsed_2kbs   1   
        44   "psi: 59 - 60"      174   1   174   17   parsed_2kbs   1   
        45   "phi: 61 - 62"      178   1   178   17   parsed_2kbs   1   
        46   "psi: 61 - 62"      182   1   182   17   parsed_2kbs   1   
        47   "phi: 65 - 66"      186   1   186   17   parsed_2kbs   1   
        48   "psi: 65 - 66"      190   1   190   17   parsed_2kbs   1   
        49   "phi: 66 - 67"      194   1   194   17   parsed_2kbs   1   
        50   "psi: 66 - 67"      198   1   198   17   parsed_2kbs   1   
        51   "phi: 71 - 72"      202   1   202   17   parsed_2kbs   1   
        52   "psi: 71 - 72"      206   1   206   17   parsed_2kbs   1   
        53   "phi: 72 - 73"      210   1   210   17   parsed_2kbs   1   
        54   "psi: 72 - 73"      214   1   214   17   parsed_2kbs   1   
        55   "phi: 73 - 74"      218   1   218   17   parsed_2kbs   1   
        56   "psi: 73 - 74"      222   1   222   17   parsed_2kbs   1   
        57   "phi: 74 - 75"      226   1   226   17   parsed_2kbs   1   
        58   "psi: 74 - 75"      230   1   230   17   parsed_2kbs   1   
        59   "phi: 75 - 76"      234   1   234   17   parsed_2kbs   1   
        60   "psi: 75 - 76"      238   1   238   17   parsed_2kbs   1   
        61   "phi: 76 - 77"      242   1   242   17   parsed_2kbs   1   
        62   "psi: 76 - 77"      246   1   246   17   parsed_2kbs   1   
        63   "phi: 77 - 78"      250   1   250   17   parsed_2kbs   1   
        64   "psi: 77 - 78"      254   1   254   17   parsed_2kbs   1   
        65   "phi: 78 - 79"      258   1   258   17   parsed_2kbs   1   
        66   "psi: 78 - 79"      262   1   262   17   parsed_2kbs   1   
        67   "phi: 79 - 80"      266   1   266   17   parsed_2kbs   1   
        68   "psi: 79 - 80"      270   1   270   17   parsed_2kbs   1   
        69   "phi: 80 - 81"      274   1   274   17   parsed_2kbs   1   
        70   "psi: 80 - 81"      278   1   278   17   parsed_2kbs   1   
        71   "phi: 85 - 86"      282   1   282   17   parsed_2kbs   1   
        72   "psi: 85 - 86"      286   1   286   17   parsed_2kbs   1   
        73   "phi: 86 - 87"      290   1   290   17   parsed_2kbs   1   
        74   "psi: 86 - 87"      294   1   294   17   parsed_2kbs   1   
        75   "phi: 87 - 88"      298   1   298   17   parsed_2kbs   1   
        76   "psi: 87 - 88"      302   1   302   17   parsed_2kbs   1   
        77   "phi: 88 - 89"      306   1   306   17   parsed_2kbs   1   
        78   "psi: 88 - 89"      310   1   310   17   parsed_2kbs   1   
        79   "phi: 89 - 90"      314   1   314   17   parsed_2kbs   1   
        80   "psi: 89 - 90"      318   1   318   17   parsed_2kbs   1   
        81   "phi: 90 - 91"      322   1   322   17   parsed_2kbs   1   
        82   "psi: 90 - 91"      326   1   326   17   parsed_2kbs   1   
        83   "phi: 92 - 93"      330   1   330   17   parsed_2kbs   1   
        84   "psi: 92 - 93"      334   1   334   17   parsed_2kbs   1   
        85   "phi: 94 - 95"      338   1   338   17   parsed_2kbs   1   
        86   "psi: 94 - 95"      342   1   342   17   parsed_2kbs   1   
        87   "phi: 95 - 96"      346   1   346   17   parsed_2kbs   1   
        88   "psi: 95 - 96"      350   1   350   17   parsed_2kbs   1   
        89   "phi: 96 - 97"      354   1   354   17   parsed_2kbs   1   
        90   "psi: 96 - 97"      358   1   358   17   parsed_2kbs   1   
        91   "phi: 115 - 116"    363   1   363   25   parsed_2kbs   1   
        92   "psi: 115 - 116"    367   1   367   25   parsed_2kbs   1   
        93   "phi: 116 - 117"    371   1   371   25   parsed_2kbs   1   
        94   "psi: 116 - 117"    375   1   375   25   parsed_2kbs   1   
    stop_

save_





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