data_5aaz_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5aaz 
    _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_5aaz   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5aaz 
    _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   5aaz   "Master copy"    parsed_5aaz   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5aaz 
    _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   5aaz.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_5aaz   1   
        1   5aaz.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             579   parsed_5aaz   1   
        1   5aaz.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     simple              10   parsed_5aaz   1   
        1   5aaz.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"      "Not applicable"     10   parsed_5aaz   1   
        1   5aaz.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"      "Not applicable"     46   parsed_5aaz   1   
        1   5aaz.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_5aaz   1   
    stop_

save_


save_CNS/XPLOR_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_5aaz 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            5 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139.8   -65.4   .   .   492   .   C   .   493   .   N    .   493   .   CA   .   493   .   C   parsed_5aaz   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -89.4   -54.4   .   .   493   .   C   .   494   .   N    .   494   .   CA   .   494   .   C   parsed_5aaz   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.4   -73.4   .   .   494   .   C   .   495   .   N    .   495   .   CA   .   495   .   C   parsed_5aaz   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.5   -73.5   .   .   495   .   C   .   496   .   N    .   496   .   CA   .   496   .   C   parsed_5aaz   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.4   -79.8   .   .   496   .   C   .   497   .   N    .   497   .   CA   .   497   .   C   parsed_5aaz   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127.0   -78.8   .   .   497   .   C   .   498   .   N    .   498   .   CA   .   498   .   C   parsed_5aaz   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -108.5   -69.9   .   .   499   .   C   .   500   .   N    .   500   .   CA   .   500   .   C   parsed_5aaz   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139.9   -60.5   .   .   502   .   C   .   503   .   N    .   503   .   CA   .   503   .   C   parsed_5aaz   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.2   -74.6   .   .   503   .   C   .   504   .   N    .   504   .   CA   .   504   .   C   parsed_5aaz   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.4   -64.2   .   .   504   .   C   .   505   .   N    .   505   .   CA   .   505   .   C   parsed_5aaz   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86.2   -44.2   .   .   505   .   C   .   506   .   N    .   506   .   CA   .   506   .   C   parsed_5aaz   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -192.2   -92.2   .   .   506   .   C   .   507   .   N    .   507   .   CA   .   507   .   C   parsed_5aaz   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.4   -58.0   .   .   508   .   C   .   509   .   N    .   509   .   CA   .   509   .   C   parsed_5aaz   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.3   -59.7   .   .   509   .   C   .   510   .   N    .   510   .   CA   .   510   .   C   parsed_5aaz   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.7   -54.5   .   .   510   .   C   .   511   .   N    .   511   .   CA   .   511   .   C   parsed_5aaz   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.2   -52.4   .   .   511   .   C   .   512   .   N    .   512   .   CA   .   512   .   C   parsed_5aaz   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.7   -60.3   .   .   512   .   C   .   513   .   N    .   513   .   CA   .   513   .   C   parsed_5aaz   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.3   -55.7   .   .   513   .   C   .   514   .   N    .   514   .   CA   .   514   .   C   parsed_5aaz   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.1   -52.7   .   .   514   .   C   .   515   .   N    .   515   .   CA   .   515   .   C   parsed_5aaz   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -89.1   -54.5   .   .   515   .   C   .   516   .   N    .   516   .   CA   .   516   .   C   parsed_5aaz   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -118.3   -81.5   .   .   516   .   C   .   517   .   N    .   517   .   CA   .   517   .   C   parsed_5aaz   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.1   -55.5   .   .   517   .   C   .   518   .   N    .   518   .   CA   .   518   .   C   parsed_5aaz   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -152.6   -67.6   .   .   518   .   C   .   519   .   N    .   519   .   CA   .   519   .   C   parsed_5aaz   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     80.2   168.0   .   .   493   .   N   .   493   .   CA   .   493   .   C    .   494   .   N   parsed_5aaz   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.7   167.9   .   .   494   .   N   .   494   .   CA   .   494   .   C    .   495   .   N   parsed_5aaz   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.7   159.9   .   .   495   .   N   .   495   .   CA   .   495   .   C    .   496   .   N   parsed_5aaz   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     77.0   161.2   .   .   496   .   N   .   496   .   CA   .   496   .   C    .   497   .   N   parsed_5aaz   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     96.4   144.2   .   .   497   .   N   .   497   .   CA   .   497   .   C    .   498   .   N   parsed_5aaz   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.1   148.3   .   .   498   .   N   .   498   .   CA   .   498   .   C    .   499   .   N   parsed_5aaz   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54.2     2.2   .   .   500   .   N   .   500   .   CA   .   500   .   C    .   501   .   N   parsed_5aaz   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.6   134.4   .   .   503   .   N   .   503   .   CA   .   503   .   C    .   504   .   N   parsed_5aaz   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.5   134.1   .   .   504   .   N   .   504   .   CA   .   504   .   C    .   505   .   N   parsed_5aaz   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95.0   168.6   .   .   505   .   N   .   505   .   CA   .   505   .   C    .   506   .   N   parsed_5aaz   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56.8   -12.2   .   .   506   .   N   .   506   .   CA   .   506   .   C    .   507   .   N   parsed_5aaz   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    146.3   183.9   .   .   507   .   N   .   507   .   CA   .   507   .   C    .   508   .   N   parsed_5aaz   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.8   -35.0   .   .   509   .   N   .   509   .   CA   .   509   .   C    .   510   .   N   parsed_5aaz   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.3   -32.9   .   .   510   .   N   .   510   .   CA   .   510   .   C    .   511   .   N   parsed_5aaz   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.1   -37.9   .   .   511   .   N   .   511   .   CA   .   511   .   C    .   512   .   N   parsed_5aaz   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.9   -29.5   .   .   512   .   N   .   512   .   CA   .   512   .   C    .   513   .   N   parsed_5aaz   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50.0   -24.4   .   .   513   .   N   .   513   .   CA   .   513   .   C    .   514   .   N   parsed_5aaz   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55.3   -21.5   .   .   514   .   N   .   514   .   CA   .   514   .   C    .   515   .   N   parsed_5aaz   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.2   -29.6   .   .   515   .   N   .   515   .   CA   .   515   .   C    .   516   .   N   parsed_5aaz   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.3   -12.9   .   .   516   .   N   .   516   .   CA   .   516   .   C    .   517   .   N   parsed_5aaz   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -23.0    22.2   .   .   517   .   N   .   517   .   CA   .   517   .   C    .   518   .   N   parsed_5aaz   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.0   158.8   .   .   518   .   N   .   518   .   CA   .   518   .   C    .   519   .   N   parsed_5aaz   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    101.7   150.9   .   .   519   .   N   .   519   .   CA   .   519   .   C    .   520   .   N   parsed_5aaz   1   
    stop_

save_



