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
53268 2pku cing 2-parsed STAR dihedral angle 66


data_2pku_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2pku 
    _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_2pku   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2pku 
    _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   2pku   "Master copy"    parsed_2pku   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2pku 
    _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   2pku.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2pku   1   
        1   2pku.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1806   parsed_2pku   1   
        1   2pku.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple               50   parsed_2pku   1   
        1   2pku.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"      66   parsed_2pku   1   
        1   2pku.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2pku   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2pku 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Torsion_angle_constraint.ID 
        _Torsion_angle_constraint.Torsion_angle_name 
        _Torsion_angle_constraint.Assembly_atom_ID_1 
        _Torsion_angle_constraint.Entity_assembly_ID_1 
        _Torsion_angle_constraint.Entity_ID_1 
        _Torsion_angle_constraint.Comp_index_ID_1 
        _Torsion_angle_constraint.Seq_ID_1 
        _Torsion_angle_constraint.Comp_ID_1 
        _Torsion_angle_constraint.Atom_ID_1 
        _Torsion_angle_constraint.Resonance_ID_1 
        _Torsion_angle_constraint.Assembly_atom_ID_2 
        _Torsion_angle_constraint.Entity_assembly_ID_2 
        _Torsion_angle_constraint.Entity_ID_2 
        _Torsion_angle_constraint.Comp_index_ID_2 
        _Torsion_angle_constraint.Seq_ID_2 
        _Torsion_angle_constraint.Comp_ID_2 
        _Torsion_angle_constraint.Atom_ID_2 
        _Torsion_angle_constraint.Resonance_ID_2 
        _Torsion_angle_constraint.Assembly_atom_ID_3 
        _Torsion_angle_constraint.Entity_assembly_ID_3 
        _Torsion_angle_constraint.Entity_ID_3 
        _Torsion_angle_constraint.Comp_index_ID_3 
        _Torsion_angle_constraint.Seq_ID_3 
        _Torsion_angle_constraint.Comp_ID_3 
        _Torsion_angle_constraint.Atom_ID_3 
        _Torsion_angle_constraint.Resonance_ID_3 
        _Torsion_angle_constraint.Assembly_atom_ID_4 
        _Torsion_angle_constraint.Entity_assembly_ID_4 
        _Torsion_angle_constraint.Entity_ID_4 
        _Torsion_angle_constraint.Comp_index_ID_4 
        _Torsion_angle_constraint.Seq_ID_4 
        _Torsion_angle_constraint.Comp_ID_4 
        _Torsion_angle_constraint.Atom_ID_4 
        _Torsion_angle_constraint.Resonance_ID_4 
        _Torsion_angle_constraint.Angle_lower_bound_val 
        _Torsion_angle_constraint.Angle_upper_bound_val 
        _Torsion_angle_constraint.Source_experiment_ID 
        _Torsion_angle_constraint.Auth_asym_ID_1 
        _Torsion_angle_constraint.Auth_seq_ID_1 
        _Torsion_angle_constraint.Auth_comp_ID_1 
        _Torsion_angle_constraint.Auth_atom_ID_1 
        _Torsion_angle_constraint.Auth_asym_ID_2 
        _Torsion_angle_constraint.Auth_seq_ID_2 
        _Torsion_angle_constraint.Auth_comp_ID_2 
        _Torsion_angle_constraint.Auth_atom_ID_2 
        _Torsion_angle_constraint.Auth_asym_ID_3 
        _Torsion_angle_constraint.Auth_seq_ID_3 
        _Torsion_angle_constraint.Auth_comp_ID_3 
        _Torsion_angle_constraint.Auth_atom_ID_3 
        _Torsion_angle_constraint.Auth_asym_ID_4 
        _Torsion_angle_constraint.Auth_seq_ID_4 
        _Torsion_angle_constraint.Auth_comp_ID_4 
        _Torsion_angle_constraint.Auth_atom_ID_4 
        _Torsion_angle_constraint.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    83   .   c   .    84   .   n    .    84   .   ca   .    84   .   c   parsed_2pku   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    84   .   c   .    85   .   n    .    85   .   ca   .    85   .   c   parsed_2pku   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    85   .   c   .    86   .   n    .    86   .   ca   .    86   .   c   parsed_2pku   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    88   .   c   .    89   .   n    .    89   .   ca   .    89   .   c   parsed_2pku   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    89   .   c   .    90   .   n    .    90   .   ca   .    90   .   c   parsed_2pku   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    90   .   c   .    91   .   n    .    91   .   ca   .    91   .   c   parsed_2pku   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    91   .   c   .    92   .   n    .    92   .   ca   .    92   .   c   parsed_2pku   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    92   .   c   .    93   .   n    .    93   .   ca   .    93   .   c   parsed_2pku   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    57   .   c   .    58   .   n    .    58   .   ca   .    58   .   c   parsed_2pku   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    58   .   c   .    59   .   n    .    59   .   ca   .    59   .   c   parsed_2pku   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .    59   .   c   .    60   .   n    .    60   .   ca   .    60   .   c   parsed_2pku   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    21   .   c   .    22   .   n    .    22   .   ca   .    22   .   c   parsed_2pku   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    22   .   c   .    23   .   n    .    23   .   ca   .    23   .   c   parsed_2pku   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    23   .   c   .    24   .   n    .    24   .   ca   .    24   .   c   parsed_2pku   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    24   .   c   .    25   .   n    .    25   .   ca   .    25   .   c   parsed_2pku   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    25   .   c   .    26   .   n    .    26   .   ca   .    26   .   c   parsed_2pku   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    34   .   c   .    35   .   n    .    35   .   ca   .    35   .   c   parsed_2pku   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    35   .   c   .    36   .   n    .    36   .   ca   .    36   .   c   parsed_2pku   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    38   .   c   .    39   .   n    .    39   .   ca   .    39   .   c   parsed_2pku   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    39   .   c   .    40   .   n    .    40   .   ca   .    40   .   c   parsed_2pku   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    46   .   c   .    47   .   n    .    47   .   ca   .    47   .   c   parsed_2pku   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    97   .   c   .    98   .   n    .    98   .   ca   .    98   .   c   parsed_2pku   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    98   .   c   .    99   .   n    .    99   .   ca   .    99   .   c   parsed_2pku   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .    99   .   c   .   100   .   n    .   100   .   ca   .   100   .   c   parsed_2pku   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .   100   .   c   .   101   .   n    .   101   .   ca   .   101   .   c   parsed_2pku   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .   101   .   c   .   102   .   n    .   102   .   ca   .   102   .   c   parsed_2pku   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .   102   .   c   .   103   .   n    .   103   .   ca   .   103   .   c   parsed_2pku   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .   123   .   c   .   124   .   n    .   124   .   ca   .   124   .   c   parsed_2pku   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.0   -70.0   .   .   124   .   c   .   125   .   n    .   125   .   ca   .   125   .   c   parsed_2pku   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    83   .   n   .    83   .   ca   .    83   .   c    .    84   .   n   parsed_2pku   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    84   .   n   .    84   .   ca   .    84   .   c    .    85   .   n   parsed_2pku   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    85   .   n   .    85   .   ca   .    85   .   c    .    86   .   n   parsed_2pku   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    86   .   n   .    86   .   ca   .    86   .   c    .    87   .   n   parsed_2pku   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    87   .   n   .    87   .   ca   .    87   .   c    .    88   .   n   parsed_2pku   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    88   .   n   .    88   .   ca   .    88   .   c    .    89   .   n   parsed_2pku   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    89   .   n   .    89   .   ca   .    89   .   c    .    90   .   n   parsed_2pku   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    90   .   n   .    90   .   ca   .    90   .   c    .    91   .   n   parsed_2pku   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    91   .   n   .    91   .   ca   .    91   .   c    .    92   .   n   parsed_2pku   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    92   .   n   .    92   .   ca   .    92   .   c    .    93   .   n   parsed_2pku   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    57   .   n   .    57   .   ca   .    57   .   c    .    58   .   n   parsed_2pku   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    58   .   n   .    58   .   ca   .    58   .   c    .    59   .   n   parsed_2pku   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    59   .   n   .    59   .   ca   .    59   .   c    .    60   .   n   parsed_2pku   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0   -10.0   .   .    60   .   n   .    60   .   ca   .    60   .   c    .    61   .   n   parsed_2pku   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    21   .   n   .    21   .   ca   .    21   .   c    .    22   .   n   parsed_2pku   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    22   .   n   .    22   .   ca   .    22   .   c    .    23   .   n   parsed_2pku   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    23   .   n   .    23   .   ca   .    23   .   c    .    24   .   n   parsed_2pku   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    24   .   n   .    24   .   ca   .    24   .   c    .    25   .   n   parsed_2pku   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    25   .   n   .    25   .   ca   .    25   .   c    .    26   .   n   parsed_2pku   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    34   .   n   .    34   .   ca   .    34   .   c    .    35   .   n   parsed_2pku   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    35   .   n   .    35   .   ca   .    35   .   c    .    36   .   n   parsed_2pku   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    36   .   n   .    36   .   ca   .    36   .   c    .    37   .   n   parsed_2pku   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    39   .   n   .    39   .   ca   .    39   .   c    .    40   .   n   parsed_2pku   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    46   .   n   .    46   .   ca   .    46   .   c    .    47   .   n   parsed_2pku   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    47   .   n   .    47   .   ca   .    47   .   c    .    48   .   n   parsed_2pku   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    50   .   n   .    50   .   ca   .    50   .   c    .    51   .   n   parsed_2pku   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    51   .   n   .    51   .   ca   .    51   .   c    .    52   .   n   parsed_2pku   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    68   .   n   .    68   .   ca   .    68   .   c    .    69   .   n   parsed_2pku   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    69   .   n   .    69   .   ca   .    69   .   c    .    70   .   n   parsed_2pku   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    70   .   n   .    70   .   ca   .    70   .   c    .    71   .   n   parsed_2pku   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    97   .   n   .    97   .   ca   .    97   .   c    .    98   .   n   parsed_2pku   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    98   .   n   .    98   .   ca   .    98   .   c    .    99   .   n   parsed_2pku   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .    99   .   n   .    99   .   ca   .    99   .   c    .   100   .   n   parsed_2pku   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .   100   .   n   .   100   .   ca   .   100   .   c    .   101   .   n   parsed_2pku   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .   101   .   n   .   101   .   ca   .   101   .   c    .   102   .   n   parsed_2pku   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .   102   .   n   .   102   .   ca   .   102   .   c    .   103   .   n   parsed_2pku   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.0   170.0   .   .   123   .   n   .   123   .   ca   .   123   .   c    .   124   .   n   parsed_2pku   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   
;
restraints dihedral reset

phi.tbl


helix a
83-84 : helix
;
     1   1     7   16   parsed_2pku   1   
         2   "84-85 : helix"        10   1    10   16   parsed_2pku   1   
         3   "85-86 : helix"        13   1    13   16   parsed_2pku   1   
         4   
;
86-87 : helix
assign (resid  86 and name c  ) (resid  87 and name n  )
(resid  87 and name ca ) (resid  87 and name c  ) 1 -60.0 30.0 2
87-88 : helix
assign (resid  87 and name c  ) (resid  88 and name n  )
(resid  88 and name ca ) (resid  88 and name c  ) 1 -60.0 30.0 2
88-89 : helix
;
    16   1    22   16   parsed_2pku   1   
         5   "89-90 : helix"        25   1    25   16   parsed_2pku   1   
         6   "90-91 : helix"        28   1    28   16   parsed_2pku   1   
         7   "91-92 : helix"        31   1    31   16   parsed_2pku   1   
         8   "92-93 : helix"        34   1    34   16   parsed_2pku   1   
         9   
;
helix b
57-58 : helix
;
    38   1    39   16   parsed_2pku   1   
        10   "58-59 : helix"        42   1    42   16   parsed_2pku   1   
        11   "59-60 : helix"        45   1    45   16   parsed_2pku   1   
        12   
;
60-61 : helix
assign (resid  60 and name c  ) (resid  61 and name n  )
(resid  61 and name ca ) (resid  61 and name c  ) 1 -60.0 30.0 2

strand a
21-22 : strand
;
    48   1    54   17   parsed_2pku   1   
        13   "22-23: strand"        57   1    57   16   parsed_2pku   1   
        14   "23-24 : strand"       60   1    60   17   parsed_2pku   1   
        15   "24-25: strand"        63   1    63   16   parsed_2pku   1   
        16   "25-26 : strand"       66   1    66   17   parsed_2pku   1   
        17   
;
strand b
34-35 : strand
;
    71   1    72   17   parsed_2pku   1   
        18   "35-36 : strand"       75   1    75   17   parsed_2pku   1   
        19   "38-39 : strand"       78   1    78   17   parsed_2pku   1   
        20   "39-40 : strand"       81   1    81   17   parsed_2pku   1   
        21   
;
strand c
46-47 : strand
;
    86   1    87   17   parsed_2pku   1   
        22   
;
48-49 : strand
assign (resid  48 and name c  ) (resid  49 and name n  )
(resid  49 and name ca ) (resid  49 and name c  ) 1 -120.0 50.0 2
50-51 : strand
assign (resid  50 and name c  ) (resid  51 and name n  )
(resid  51 and name ca ) (resid  51 and name c  ) 1 -120.0 50.0 2
51-52 : strand
assign (resid  51 and name c  ) (resid  52 and name n  )
(resid  52 and name ca ) (resid  52 and name c  ) 1 -120.0 50.0 2
strand d
68-69 : strand
assign (resid  68 and name c  ) (resid  69 and name n  )
;
    90   1   103   58   parsed_2pku   1   
        23   
;
69-70 : strand
assign (resid  69 and name c  ) (resid  70 and name n  )
(resid  70 and name ca ) (resid  70 and name c  ) 1 -120.0 50.0 2
70-71 : strand
assign (resid  70 and name c  ) (resid  71 and name n  )
(resid  71 and name ca ) (resid  71 and name c  ) 1 -120.0 50.0 2
strand e
77-78 : strand
strand f
97-98 : strand
;
   105   1   116   17   parsed_2pku   1   
        24   "98-99 : strand"      119   1   119   17   parsed_2pku   1   
        25   "99-100 : strand"     122   1   122   18   parsed_2pku   1   
        26   "100-101 : strand"    125   1   125   19   parsed_2pku   1   
        27   "101-102 : strand"    128   1   128   19   parsed_2pku   1   
        28   "102-103 : strand"    131   1   131   19   parsed_2pku   1   
        29   "123-124 : strand"    136   1   136   19   parsed_2pku   1   
        30   "124-125 : strand"    139   1   139   19   parsed_2pku   1   
        31   
;
psi.tbl

helix a

83-84 : helix
;
   145   1   149   16   parsed_2pku   1   
        32   "84-85 : helix"       152   1   152   16   parsed_2pku   1   
        33   "85-86 : helix"       155   1   155   16   parsed_2pku   1   
        34   "86-87 : helix"       158   1   158   16   parsed_2pku   1   
        35   "87-88 : helix"       161   1   161   16   parsed_2pku   1   
        36   "88-89 : helix"       164   1   164   16   parsed_2pku   1   
        37   "89-90 : helix"       167   1   167   16   parsed_2pku   1   
        38   "90-91 : helix"       170   1   170   16   parsed_2pku   1   
        39   "91-92 : helix"       173   1   173   16   parsed_2pku   1   
        40   "92-93 : helix"       176   1   176   16   parsed_2pku   1   
        41   
;
helix b
57-58 : helix
;
   181   1   182   16   parsed_2pku   1   
        42   "58-59 : helix"       185   1   185   16   parsed_2pku   1   
        43   "59-60 : helix"       188   1   188   16   parsed_2pku   1   
        44   "60-61 : helix"       191   1   191   16   parsed_2pku   1   
        45   
;
strand a
21-22 : strand
;
   196   1   197   17   parsed_2pku   1   
        46   "22-23 : strand"      200   1   200   17   parsed_2pku   1   
        47   "23-24 : strand"      203   1   203   17   parsed_2pku   1   
        48   "24-25 : strand"      206   1   206   17   parsed_2pku   1   
        49   "25-26: strand"       209   1   209   16   parsed_2pku   1   
        50   
;
strand b
34-35 : strand
;
   213   1   214   17   parsed_2pku   1   
        51   "35-36 : strand"      217   1   217   17   parsed_2pku   1   
        52   "36-37 : strand"      220   1   220   17   parsed_2pku   1   
        53   "39-40 : strand"      223   1   223   17   parsed_2pku   1   
        54   
;
strand c
46-47 : strand
;
   228   1   229   17   parsed_2pku   1   
        55   "47-48 : strand"      232   1   232   17   parsed_2pku   1   
        56   "50-51 : strand"      235   1   235   17   parsed_2pku   1   
        57   "51-52 : strand"      238   1   238   17   parsed_2pku   1   
        58   
;
strand d
68-69 : strand
;
   243   1   244   17   parsed_2pku   1   
        59   "69-70 : strand"      247   1   247   17   parsed_2pku   1   
        60   "70-71 : strand"      250   1   250   17   parsed_2pku   1   
        61   
;
strand e
77-78 : strand
strand f
97-98 : strand
;
   255   1   260   17   parsed_2pku   1   
        62   "98-99 : strand"      263   1   263   17   parsed_2pku   1   
        63   "99-100 : strand"     266   1   266   18   parsed_2pku   1   
        64   "100-101 : strand"    269   1   269   19   parsed_2pku   1   
        65   "101-102 : strand"    272   1   272   19   parsed_2pku   1   
        66   "102-103 : strand"    275   1   275   19   parsed_2pku   1   
        67   
;
strand g
123-124 : strand
;
   279   1   280   19   parsed_2pku   1   
        68    end                  283   1   283    5   parsed_2pku   1   
    stop_


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

        1   "(resid  69 and name ca ) (resid  69 and name c  ) 1 -120.0 50.0 2"    104   9   104   73   parsed_2pku   1   
        2   "strand g"                                                             135   2   135    9   parsed_2pku   1   
    stop_

save_





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