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
572715 2mk3 19750 cing 2-parsed STAR dihedral angle 102


data_2mk3_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mk3 
    _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_2mk3   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mk3 
    _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   2mk3   "Master copy"    parsed_2mk3   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mk3 
    _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   2mk3.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2mk3   1   
        1   2mk3.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             466   parsed_2mk3   1   
        1   2mk3.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"      0   parsed_2mk3   1   
        1   2mk3.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    102   parsed_2mk3   1   
        1   2mk3.mr   .   .    unknown       5    unknown                  "Not applicable"    "Not applicable"      0   parsed_2mk3   1   
        1   2mk3.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2mk3   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2mk3 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -89.584   -49.584   .   A    5   .   C   A    6   .   N    A    6   .   CA   A    6   .   C   parsed_2mk3   1   
          2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.958   -14.958   .   A    6   .   N   A    6   .   CA   A    6   .   C    A    7   .   N   parsed_2mk3   1   
          3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -88.332   -48.332   .   A    6   .   C   A    7   .   N    A    7   .   CA   A    7   .   C   parsed_2mk3   1   
          4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.788   -16.788   .   A    7   .   N   A    7   .   CA   A    7   .   C    A    8   .   N   parsed_2mk3   1   
          5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.855   -46.855   .   A    7   .   C   A    8   .   N    A    8   .   CA   A    8   .   C   parsed_2mk3   1   
          6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.047   -18.047   .   A    8   .   N   A    8   .   CA   A    8   .   C    A    9   .   N   parsed_2mk3   1   
          7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.816   -46.816   .   A    8   .   C   A    9   .   N    A    9   .   CA   A    9   .   C   parsed_2mk3   1   
          8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.924   -16.924   .   A    9   .   N   A    9   .   CA   A    9   .   C    A   10   .   N   parsed_2mk3   1   
          9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.040   -46.040   .   A    9   .   C   A   10   .   N    A   10   .   CA   A   10   .   C   parsed_2mk3   1   
         10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.149   -23.149   .   A   10   .   N   A   10   .   CA   A   10   .   C    A   11   .   N   parsed_2mk3   1   
         11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.507   -43.507   .   A   10   .   C   A   11   .   N    A   11   .   CA   A   11   .   C   parsed_2mk3   1   
         12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.088   -20.088   .   A   11   .   N   A   11   .   CA   A   11   .   C    A   12   .   N   parsed_2mk3   1   
         13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.879   -45.879   .   A   11   .   C   A   12   .   N    A   12   .   CA   A   12   .   C   parsed_2mk3   1   
         14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.932   -18.932   .   A   12   .   N   A   12   .   CA   A   12   .   C    A   13   .   N   parsed_2mk3   1   
         15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.544   -46.544   .   A   12   .   C   A   13   .   N    A   13   .   CA   A   13   .   C   parsed_2mk3   1   
         16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.495   -20.495   .   A   13   .   N   A   13   .   CA   A   13   .   C    A   14   .   N   parsed_2mk3   1   
         17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.378   -44.378   .   A   13   .   C   A   14   .   N    A   14   .   CA   A   14   .   C   parsed_2mk3   1   
         18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.833   -23.833   .   A   14   .   N   A   14   .   CA   A   14   .   C    A   15   .   N   parsed_2mk3   1   
         19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.216   -46.216   .   A   14   .   C   A   15   .   N    A   15   .   CA   A   15   .   C   parsed_2mk3   1   
         20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64.221    -4.221   .   A   15   .   N   A   15   .   CA   A   15   .   C    A   16   .   N   parsed_2mk3   1   
         21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.860   -80.860   .   A   15   .   C   A   16   .   N    A   16   .   CA   A   16   .   C   parsed_2mk3   1   
         22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      0.108    40.108   .   A   16   .   N   A   16   .   CA   A   16   .   C    A   17   .   N   parsed_2mk3   1   
         23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130.000   -90.000   .   A   16   .   C   A   17   .   N    A   17   .   CA   A   17   .   C   parsed_2mk3   1   
         24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      0.500    40.500   .   A   17   .   N   A   17   .   CA   A   17   .   C    A   18   .   N   parsed_2mk3   1   
         25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.000   -35.000   .   A   17   .   C   A   18   .   N    A   18   .   CA   A   18   .   C   parsed_2mk3   1   
         26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.500   -15.500   .   A   18   .   N   A   18   .   CA   A   18   .   C    A   19   .   N   parsed_2mk3   1   
         27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.000   -45.000   .   A   18   .   C   A   19   .   N    A   19   .   CA   A   19   .   C   parsed_2mk3   1   
         28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.029   -18.029   .   A   19   .   N   A   19   .   CA   A   19   .   C    A   20   .   N   parsed_2mk3   1   
         29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.984   -46.984   .   A   19   .   C   A   20   .   N    A   20   .   CA   A   20   .   C   parsed_2mk3   1   
         30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.651   -30.651   .   A   20   .   N   A   20   .   CA   A   20   .   C    A   21   .   N   parsed_2mk3   1   
         31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.005   -44.005   .   A   20   .   C   A   21   .   N    A   21   .   CA   A   21   .   C   parsed_2mk3   1   
         32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62.659   -22.659   .   A   21   .   N   A   21   .   CA   A   21   .   C    A   22   .   N   parsed_2mk3   1   
         33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.401   -44.401   .   A   21   .   C   A   22   .   N    A   22   .   CA   A   22   .   C   parsed_2mk3   1   
         34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -58.427   -18.427   .   A   22   .   N   A   22   .   CA   A   22   .   C    A   23   .   N   parsed_2mk3   1   
         35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.690   -46.690   .   A   22   .   C   A   23   .   N    A   23   .   CA   A   23   .   C   parsed_2mk3   1   
         36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61.261   -21.261   .   A   23   .   N   A   23   .   CA   A   23   .   C    A   24   .   N   parsed_2mk3   1   
         37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.728   -46.728   .   A   23   .   C   A   24   .   N    A   24   .   CA   A   24   .   C   parsed_2mk3   1   
         38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.544   -17.544   .   A   24   .   N   A   24   .   CA   A   24   .   C    A   25   .   N   parsed_2mk3   1   
         39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.274   -43.274   .   A   24   .   C   A   25   .   N    A   25   .   CA   A   25   .   C   parsed_2mk3   1   
         40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.177   -23.177   .   A   25   .   N   A   25   .   CA   A   25   .   C    A   26   .   N   parsed_2mk3   1   
         41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -82.882   -42.882   .   A   25   .   C   A   26   .   N    A   26   .   CA   A   26   .   C   parsed_2mk3   1   
         42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -64.854   -24.854   .   A   26   .   N   A   26   .   CA   A   26   .   C    A   27   .   N   parsed_2mk3   1   
         43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.310   -43.310   .   A   26   .   C   A   27   .   N    A   27   .   CA   A   27   .   C   parsed_2mk3   1   
         44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.914   -23.914   .   A   27   .   N   A   27   .   CA   A   27   .   C    A   28   .   N   parsed_2mk3   1   
         45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.331   -44.331   .   A   27   .   C   A   28   .   N    A   28   .   CA   A   28   .   C   parsed_2mk3   1   
         46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62.911   -22.911   .   A   28   .   N   A   28   .   CA   A   28   .   C    A   29   .   N   parsed_2mk3   1   
         47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.928   -43.928   .   A   28   .   C   A   29   .   N    A   29   .   CA   A   29   .   C   parsed_2mk3   1   
         48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61.494   -21.494   .   A   29   .   N   A   29   .   CA   A   29   .   C    A   30   .   N   parsed_2mk3   1   
         49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.152   -47.152   .   A   29   .   C   A   30   .   N    A   30   .   CA   A   30   .   C   parsed_2mk3   1   
         50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.580   -20.580   .   A   30   .   N   A   30   .   CA   A   30   .   C    A   31   .   N   parsed_2mk3   1   
         51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.248   -45.248   .   A   30   .   C   A   31   .   N    A   31   .   CA   A   31   .   C   parsed_2mk3   1   
         52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51.848   -31.848   .   A   31   .   N   A   31   .   CA   A   31   .   C    A   32   .   N   parsed_2mk3   1   
         53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.836   -45.836   .   A   31   .   C   A   32   .   N    A   32   .   CA   A   32   .   C   parsed_2mk3   1   
         54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.387   -17.387   .   A   32   .   N   A   32   .   CA   A   32   .   C    A   33   .   N   parsed_2mk3   1   
         55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.891   -45.891   .   A   32   .   C   A   33   .   N    A   33   .   CA   A   33   .   C   parsed_2mk3   1   
         56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.000   -30.000   .   A   33   .   N   A   33   .   CA   A   33   .   C    A   34   .   N   parsed_2mk3   1   
         57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -83.836   -43.836   .   A   33   .   C   A   34   .   N    A   34   .   CA   A   34   .   C   parsed_2mk3   1   
         58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.969   -15.969   .   A   34   .   N   A   34   .   CA   A   34   .   C    A   35   .   N   parsed_2mk3   1   
         59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.900   -65.900   .   A   40   .   C   A   41   .   N    A   41   .   CA   A   41   .   C   parsed_2mk3   1   
         60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.326   -34.326   .   A   41   .   N   A   41   .   CA   A   41   .   C    A   42   .   N   parsed_2mk3   1   
         61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.151   -47.151   .   A   41   .   C   A   42   .   N    A   42   .   CA   A   42   .   C   parsed_2mk3   1   
         62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.228   -19.228   .   A   42   .   N   A   42   .   CA   A   42   .   C    A   43   .   N   parsed_2mk3   1   
         63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.476   -47.476   .   A   42   .   C   A   43   .   N    A   43   .   CA   A   43   .   C   parsed_2mk3   1   
         64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.000   -20.000   .   A   43   .   N   A   43   .   CA   A   43   .   C    A   44   .   N   parsed_2mk3   1   
         65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.314   -45.314   .   A   43   .   C   A   44   .   N    A   44   .   CA   A   44   .   C   parsed_2mk3   1   
         66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.500   -20.500   .   A   44   .   N   A   44   .   CA   A   44   .   C    A   45   .   N   parsed_2mk3   1   
         67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.064   -45.064   .   A   44   .   C   A   45   .   N    A   45   .   CA   A   45   .   C   parsed_2mk3   1   
         68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.560   -30.560   .   A   45   .   N   A   45   .   CA   A   45   .   C    A   46   .   N   parsed_2mk3   1   
         69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.000   -35.000   .   A   45   .   C   A   46   .   N    A   46   .   CA   A   46   .   C   parsed_2mk3   1   
         70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61.914   -21.914   .   A   46   .   N   A   46   .   CA   A   46   .   C    A   47   .   N   parsed_2mk3   1   
         71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.324   -45.324   .   A   46   .   C   A   47   .   N    A   47   .   CA   A   47   .   C   parsed_2mk3   1   
         72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.773   -20.773   .   A   47   .   N   A   47   .   CA   A   47   .   C    A   48   .   N   parsed_2mk3   1   
         73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.304   -44.304   .   A   47   .   C   A   48   .   N    A   48   .   CA   A   48   .   C   parsed_2mk3   1   
         74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62.450   -22.450   .   A   48   .   N   A   48   .   CA   A   48   .   C    A   49   .   N   parsed_2mk3   1   
         75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.316   -46.316   .   A   48   .   C   A   49   .   N    A   49   .   CA   A   49   .   C   parsed_2mk3   1   
         76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.997   -17.997   .   A   49   .   N   A   49   .   CA   A   49   .   C    A   50   .   N   parsed_2mk3   1   
         77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.190   -47.190   .   A   49   .   C   A   50   .   N    A   50   .   CA   A   50   .   C   parsed_2mk3   1   
         78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.913   -27.913   .   A   50   .   N   A   50   .   CA   A   50   .   C    A   51   .   N   parsed_2mk3   1   
         79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.017   -45.017   .   A   50   .   C   A   51   .   N    A   51   .   CA   A   51   .   C   parsed_2mk3   1   
         80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.739   -30.739   .   A   51   .   N   A   51   .   CA   A   51   .   C    A   52   .   N   parsed_2mk3   1   
         81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -84.031   -44.031   .   A   51   .   C   A   52   .   N    A   52   .   CA   A   52   .   C   parsed_2mk3   1   
         82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -60.693   -20.693   .   A   52   .   N   A   52   .   CA   A   52   .   C    A   53   .   N   parsed_2mk3   1   
         83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.872   -45.872   .   A   52   .   C   A   53   .   N    A   53   .   CA   A   53   .   C   parsed_2mk3   1   
         84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.679   -19.679   .   A   53   .   N   A   53   .   CA   A   53   .   C    A   54   .   N   parsed_2mk3   1   
         85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.349   -45.349   .   A   53   .   C   A   54   .   N    A   54   .   CA   A   54   .   C   parsed_2mk3   1   
         86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.079   -23.079   .   A   54   .   N   A   54   .   CA   A   54   .   C    A   55   .   N   parsed_2mk3   1   
         87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -92.898   -32.898   .   A   54   .   C   A   55   .   N    A   55   .   CA   A   55   .   C   parsed_2mk3   1   
         88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.581   -23.581   .   A   55   .   N   A   55   .   CA   A   55   .   C    A   56   .   N   parsed_2mk3   1   
         89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.574   -45.574   .   A   55   .   C   A   56   .   N    A   56   .   CA   A   56   .   C   parsed_2mk3   1   
         90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.832   -17.832   .   A   56   .   N   A   56   .   CA   A   56   .   C    A   57   .   N   parsed_2mk3   1   
         91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.086   -46.086   .   A   56   .   C   A   57   .   N    A   57   .   CA   A   57   .   C   parsed_2mk3   1   
         92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -59.845   -19.845   .   A   57   .   N   A   57   .   CA   A   57   .   C    A   58   .   N   parsed_2mk3   1   
         93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85.495   -45.495   .   A   57   .   C   A   58   .   N    A   58   .   CA   A   58   .   C   parsed_2mk3   1   
         94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.321   -23.321   .   A   58   .   N   A   58   .   CA   A   58   .   C    A   59   .   N   parsed_2mk3   1   
         95   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -87.934   -47.934   .   A   58   .   C   A   59   .   N    A   59   .   CA   A   59   .   C   parsed_2mk3   1   
         96   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -61.403   -21.403   .   A   59   .   N   A   59   .   CA   A   59   .   C    A   60   .   N   parsed_2mk3   1   
         97   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.048   -46.048   .   A   59   .   C   A   60   .   N    A   60   .   CA   A   60   .   C   parsed_2mk3   1   
         98   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.989   -17.989   .   A   60   .   N   A   60   .   CA   A   60   .   C    A   61   .   N   parsed_2mk3   1   
         99   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -88.875   -48.875   .   A   60   .   C   A   61   .   N    A   61   .   CA   A   61   .   C   parsed_2mk3   1   
        100   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.259   -14.259   .   A   61   .   N   A   61   .   CA   A   61   .   C    A   62   .   N   parsed_2mk3   1   
        101   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.434   -50.434   .   A   61   .   C   A   62   .   N    A   62   .   CA   A   62   .   C   parsed_2mk3   1   
        102   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -48.516    -8.516   .   A   62   .   N   A   62   .   CA   A   62   .   C    A   63   .   N   parsed_2mk3   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   
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! Dihedral
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
;
   1   1   5   67   parsed_2mk3   1   
    stop_

save_





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