NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype item_count
34819 1kkg 5093 cing recoord 2-parsed STAR distance hydrogen bond simple 88


data_1kkg_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1kkg 
    _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_1kkg   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1kkg 
    _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   1kkg   "Master copy"    parsed_1kkg   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1kkg 
    _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   1kkg.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1kkg   1   
        1   1kkg.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             2393   parsed_1kkg   1   
        1   1kkg.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"     402   parsed_1kkg   1   
        1   1kkg.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"      simple               88   parsed_1kkg   1   
        1   1kkg.mr   .   .    DYANA/DIANA   5    distance                 "hydrogen bond"      simple                0   parsed_1kkg   1   
        1   1kkg.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1kkg   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1kkg 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_1kkg   1   
         2   1   .   .   .   parsed_1kkg   1   
         3   1   .   .   .   parsed_1kkg   1   
         4   1   .   .   .   parsed_1kkg   1   
         5   1   .   .   .   parsed_1kkg   1   
         6   1   .   .   .   parsed_1kkg   1   
         7   1   .   .   .   parsed_1kkg   1   
         8   1   .   .   .   parsed_1kkg   1   
         9   1   .   .   .   parsed_1kkg   1   
        10   1   .   .   .   parsed_1kkg   1   
        11   1   .   .   .   parsed_1kkg   1   
        12   1   .   .   .   parsed_1kkg   1   
        13   1   .   .   .   parsed_1kkg   1   
        14   1   .   .   .   parsed_1kkg   1   
        15   1   .   .   .   parsed_1kkg   1   
        16   1   .   .   .   parsed_1kkg   1   
        17   1   .   .   .   parsed_1kkg   1   
        18   1   .   .   .   parsed_1kkg   1   
        19   1   .   .   .   parsed_1kkg   1   
        20   1   .   .   .   parsed_1kkg   1   
        21   1   .   .   .   parsed_1kkg   1   
        22   1   .   .   .   parsed_1kkg   1   
        23   1   .   .   .   parsed_1kkg   1   
        24   1   .   .   .   parsed_1kkg   1   
        25   1   .   .   .   parsed_1kkg   1   
        26   1   .   .   .   parsed_1kkg   1   
        27   1   .   .   .   parsed_1kkg   1   
        28   1   .   .   .   parsed_1kkg   1   
        29   1   .   .   .   parsed_1kkg   1   
        30   1   .   .   .   parsed_1kkg   1   
        31   1   .   .   .   parsed_1kkg   1   
        32   1   .   .   .   parsed_1kkg   1   
        33   1   .   .   .   parsed_1kkg   1   
        34   1   .   .   .   parsed_1kkg   1   
        35   1   .   .   .   parsed_1kkg   1   
        36   1   .   .   .   parsed_1kkg   1   
        37   1   .   .   .   parsed_1kkg   1   
        38   1   .   .   .   parsed_1kkg   1   
        39   1   .   .   .   parsed_1kkg   1   
        40   1   .   .   .   parsed_1kkg   1   
        41   1   .   .   .   parsed_1kkg   1   
        42   1   .   .   .   parsed_1kkg   1   
        43   1   .   .   .   parsed_1kkg   1   
        44   1   .   .   .   parsed_1kkg   1   
        45   1   .   .   .   parsed_1kkg   1   
        46   1   .   .   .   parsed_1kkg   1   
        47   1   .   .   .   parsed_1kkg   1   
        48   1   .   .   .   parsed_1kkg   1   
        49   1   .   .   .   parsed_1kkg   1   
        50   1   .   .   .   parsed_1kkg   1   
        51   1   .   .   .   parsed_1kkg   1   
        52   1   .   .   .   parsed_1kkg   1   
        53   1   .   .   .   parsed_1kkg   1   
        54   1   .   .   .   parsed_1kkg   1   
        55   1   .   .   .   parsed_1kkg   1   
        56   1   .   .   .   parsed_1kkg   1   
        57   1   .   .   .   parsed_1kkg   1   
        58   1   .   .   .   parsed_1kkg   1   
        59   1   .   .   .   parsed_1kkg   1   
        60   1   .   .   .   parsed_1kkg   1   
        61   1   .   .   .   parsed_1kkg   1   
        62   1   .   .   .   parsed_1kkg   1   
        63   1   .   .   .   parsed_1kkg   1   
        64   1   .   .   .   parsed_1kkg   1   
        65   1   .   .   .   parsed_1kkg   1   
        66   1   .   .   .   parsed_1kkg   1   
        67   1   .   .   .   parsed_1kkg   1   
        68   1   .   .   .   parsed_1kkg   1   
        69   1   .   .   .   parsed_1kkg   1   
        70   1   .   .   .   parsed_1kkg   1   
        71   1   .   .   .   parsed_1kkg   1   
        72   1   .   .   .   parsed_1kkg   1   
        73   1   .   .   .   parsed_1kkg   1   
        74   1   .   .   .   parsed_1kkg   1   
        75   1   .   .   .   parsed_1kkg   1   
        76   1   .   .   .   parsed_1kkg   1   
        77   1   .   .   .   parsed_1kkg   1   
        78   1   .   .   .   parsed_1kkg   1   
        79   1   .   .   .   parsed_1kkg   1   
        80   1   .   .   .   parsed_1kkg   1   
        81   1   .   .   .   parsed_1kkg   1   
        82   1   .   .   .   parsed_1kkg   1   
        83   1   .   .   .   parsed_1kkg   1   
        84   1   .   .   .   parsed_1kkg   1   
        85   1   .   .   .   parsed_1kkg   1   
        86   1   .   .   .   parsed_1kkg   1   
        87   1   .   .   .   parsed_1kkg   1   
        88   1   .   .   .   parsed_1kkg   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   .     9   GLN   O    parsed_1kkg   1   
         1   1   2   .   .   .   .   .   .   .   .   .    13   GLN   N    parsed_1kkg   1   
         2   1   1   .   .   .   .   .   .   .   .   .     9   GLN   O    parsed_1kkg   1   
         2   1   2   .   .   .   .   .   .   .   .   .    13   GLN   HN   parsed_1kkg   1   
         3   1   1   .   .   .   .   .   .   .   .   .    10   ARG   O    parsed_1kkg   1   
         3   1   2   .   .   .   .   .   .   .   .   .    14   GLU   N    parsed_1kkg   1   
         4   1   1   .   .   .   .   .   .   .   .   .    10   ARG   O    parsed_1kkg   1   
         4   1   2   .   .   .   .   .   .   .   .   .    14   GLU   HN   parsed_1kkg   1   
         5   1   1   .   .   .   .   .   .   .   .   .    11   VAL   O    parsed_1kkg   1   
         5   1   2   .   .   .   .   .   .   .   .   .    15   MET   N    parsed_1kkg   1   
         6   1   1   .   .   .   .   .   .   .   .   .    11   VAL   O    parsed_1kkg   1   
         6   1   2   .   .   .   .   .   .   .   .   .    15   MET   HN   parsed_1kkg   1   
         7   1   1   .   .   .   .   .   .   .   .   .    12   ALA   O    parsed_1kkg   1   
         7   1   2   .   .   .   .   .   .   .   .   .    16   GLN   N    parsed_1kkg   1   
         8   1   1   .   .   .   .   .   .   .   .   .    12   ALA   O    parsed_1kkg   1   
         8   1   2   .   .   .   .   .   .   .   .   .    16   GLN   HN   parsed_1kkg   1   
         9   1   1   .   .   .   .   .   .   .   .   .    13   GLN   O    parsed_1kkg   1   
         9   1   2   .   .   .   .   .   .   .   .   .    17   LYS   N    parsed_1kkg   1   
        10   1   1   .   .   .   .   .   .   .   .   .    13   GLN   O    parsed_1kkg   1   
        10   1   2   .   .   .   .   .   .   .   .   .    17   LYS   HN   parsed_1kkg   1   
        11   1   1   .   .   .   .   .   .   .   .   .    14   GLU   O    parsed_1kkg   1   
        11   1   2   .   .   .   .   .   .   .   .   .    18   GLU   N    parsed_1kkg   1   
        12   1   1   .   .   .   .   .   .   .   .   .    14   GLU   O    parsed_1kkg   1   
        12   1   2   .   .   .   .   .   .   .   .   .    18   GLU   HN   parsed_1kkg   1   
        13   1   1   .   .   .   .   .   .   .   .   .    15   MET   O    parsed_1kkg   1   
        13   1   2   .   .   .   .   .   .   .   .   .    19   ILE   N    parsed_1kkg   1   
        14   1   1   .   .   .   .   .   .   .   .   .    15   MET   O    parsed_1kkg   1   
        14   1   2   .   .   .   .   .   .   .   .   .    19   ILE   HN   parsed_1kkg   1   
        15   1   1   .   .   .   .   .   .   .   .   .    16   GLN   O    parsed_1kkg   1   
        15   1   2   .   .   .   .   .   .   .   .   .    20   ALA   N    parsed_1kkg   1   
        16   1   1   .   .   .   .   .   .   .   .   .    16   GLN   O    parsed_1kkg   1   
        16   1   2   .   .   .   .   .   .   .   .   .    20   ALA   HN   parsed_1kkg   1   
        17   1   1   .   .   .   .   .   .   .   .   .    17   LYS   O    parsed_1kkg   1   
        17   1   2   .   .   .   .   .   .   .   .   .    21   LEU   N    parsed_1kkg   1   
        18   1   1   .   .   .   .   .   .   .   .   .    17   LYS   O    parsed_1kkg   1   
        18   1   2   .   .   .   .   .   .   .   .   .    21   LEU   HN   parsed_1kkg   1   
        19   1   1   .   .   .   .   .   .   .   .   .    18   GLU   O    parsed_1kkg   1   
        19   1   2   .   .   .   .   .   .   .   .   .    22   ILE   N    parsed_1kkg   1   
        20   1   1   .   .   .   .   .   .   .   .   .    18   GLU   O    parsed_1kkg   1   
        20   1   2   .   .   .   .   .   .   .   .   .    22   ILE   HN   parsed_1kkg   1   
        21   1   1   .   .   .   .   .   .   .   .   .    19   ILE   O    parsed_1kkg   1   
        21   1   2   .   .   .   .   .   .   .   .   .    23   LEU   N    parsed_1kkg   1   
        22   1   1   .   .   .   .   .   .   .   .   .    19   ILE   O    parsed_1kkg   1   
        22   1   2   .   .   .   .   .   .   .   .   .    23   LEU   HN   parsed_1kkg   1   
        23   1   1   .   .   .   .   .   .   .   .   .    37   THR   O    parsed_1kkg   1   
        23   1   2   .   .   .   .   .   .   .   .   .    55   THR   N    parsed_1kkg   1   
        24   1   1   .   .   .   .   .   .   .   .   .    37   THR   O    parsed_1kkg   1   
        24   1   2   .   .   .   .   .   .   .   .   .    55   THR   HN   parsed_1kkg   1   
        25   1   1   .   .   .   .   .   .   .   .   .    40   GLY   O    parsed_1kkg   1   
        25   1   2   .   .   .   .   .   .   .   .   .    53   TYR   N    parsed_1kkg   1   
        26   1   1   .   .   .   .   .   .   .   .   .    40   GLY   O    parsed_1kkg   1   
        26   1   2   .   .   .   .   .   .   .   .   .    53   TYR   HN   parsed_1kkg   1   
        27   1   1   .   .   .   .   .   .   .   .   .    42   GLU   O    parsed_1kkg   1   
        27   1   2   .   .   .   .   .   .   .   .   .    51   LYS   N    parsed_1kkg   1   
        28   1   1   .   .   .   .   .   .   .   .   .    42   GLU   O    parsed_1kkg   1   
        28   1   2   .   .   .   .   .   .   .   .   .    51   LYS   HN   parsed_1kkg   1   
        29   1   1   .   .   .   .   .   .   .   .   .    44   SER   O    parsed_1kkg   1   
        29   1   2   .   .   .   .   .   .   .   .   .    49   TYR   N    parsed_1kkg   1   
        30   1   1   .   .   .   .   .   .   .   .   .    44   SER   O    parsed_1kkg   1   
        30   1   2   .   .   .   .   .   .   .   .   .    49   TYR   HN   parsed_1kkg   1   
        31   1   1   .   .   .   .   .   .   .   .   .    48   ALA   O    parsed_1kkg   1   
        31   1   2   .   .   .   .   .   .   .   .   .    94   GLU   N    parsed_1kkg   1   
        32   1   1   .   .   .   .   .   .   .   .   .    48   ALA   O    parsed_1kkg   1   
        32   1   2   .   .   .   .   .   .   .   .   .    94   GLU   HN   parsed_1kkg   1   
        33   1   1   .   .   .   .   .   .   .   .   .    49   TYR   O    parsed_1kkg   1   
        33   1   2   .   .   .   .   .   .   .   .   .    44   SER   N    parsed_1kkg   1   
        34   1   1   .   .   .   .   .   .   .   .   .    49   TYR   O    parsed_1kkg   1   
        34   1   2   .   .   .   .   .   .   .   .   .    44   SER   HN   parsed_1kkg   1   
        35   1   1   .   .   .   .   .   .   .   .   .    50   ALA   O    parsed_1kkg   1   
        35   1   2   .   .   .   .   .   .   .   .   .    96   THR   N    parsed_1kkg   1   
        36   1   1   .   .   .   .   .   .   .   .   .    50   ALA   O    parsed_1kkg   1   
        36   1   2   .   .   .   .   .   .   .   .   .    96   THR   HN   parsed_1kkg   1   
        37   1   1   .   .   .   .   .   .   .   .   .    51   LYS   O    parsed_1kkg   1   
        37   1   2   .   .   .   .   .   .   .   .   .    42   GLU   N    parsed_1kkg   1   
        38   1   1   .   .   .   .   .   .   .   .   .    51   LYS   O    parsed_1kkg   1   
        38   1   2   .   .   .   .   .   .   .   .   .    42   GLU   HN   parsed_1kkg   1   
        39   1   1   .   .   .   .   .   .   .   .   .    52   VAL   O    parsed_1kkg   1   
        39   1   2   .   .   .   .   .   .   .   .   .    98   PHE   N    parsed_1kkg   1   
        40   1   1   .   .   .   .   .   .   .   .   .    52   VAL   O    parsed_1kkg   1   
        40   1   2   .   .   .   .   .   .   .   .   .    98   PHE   HN   parsed_1kkg   1   
        41   1   1   .   .   .   .   .   .   .   .   .    54   VAL   O    parsed_1kkg   1   
        41   1   2   .   .   .   .   .   .   .   .   .   100   ASP   N    parsed_1kkg   1   
        42   1   1   .   .   .   .   .   .   .   .   .    54   VAL   O    parsed_1kkg   1   
        42   1   2   .   .   .   .   .   .   .   .   .   100   ASP   HN   parsed_1kkg   1   
        43   1   1   .   .   .   .   .   .   .   .   .    55   THR   O    parsed_1kkg   1   
        43   1   2   .   .   .   .   .   .   .   .   .    37   THR   N    parsed_1kkg   1   
        44   1   1   .   .   .   .   .   .   .   .   .    55   THR   O    parsed_1kkg   1   
        44   1   2   .   .   .   .   .   .   .   .   .    37   THR   HN   parsed_1kkg   1   
        45   1   1   .   .   .   .   .   .   .   .   .    61   ASP   O    parsed_1kkg   1   
        45   1   2   .   .   .   .   .   .   .   .   .    65   VAL   N    parsed_1kkg   1   
        46   1   1   .   .   .   .   .   .   .   .   .    61   ASP   O    parsed_1kkg   1   
        46   1   2   .   .   .   .   .   .   .   .   .    65   VAL   HN   parsed_1kkg   1   
        47   1   1   .   .   .   .   .   .   .   .   .    62   GLU   O    parsed_1kkg   1   
        47   1   2   .   .   .   .   .   .   .   .   .    66   LYS   N    parsed_1kkg   1   
        48   1   1   .   .   .   .   .   .   .   .   .    62   GLU   O    parsed_1kkg   1   
        48   1   2   .   .   .   .   .   .   .   .   .    66   LYS   HN   parsed_1kkg   1   
        49   1   1   .   .   .   .   .   .   .   .   .    63   ASP   O    parsed_1kkg   1   
        49   1   2   .   .   .   .   .   .   .   .   .    67   ALA   N    parsed_1kkg   1   
        50   1   1   .   .   .   .   .   .   .   .   .    63   ASP   O    parsed_1kkg   1   
        50   1   2   .   .   .   .   .   .   .   .   .    67   ALA   HN   parsed_1kkg   1   
        51   1   1   .   .   .   .   .   .   .   .   .    64   ALA   O    parsed_1kkg   1   
        51   1   2   .   .   .   .   .   .   .   .   .    68   GLY   N    parsed_1kkg   1   
        52   1   1   .   .   .   .   .   .   .   .   .    64   ALA   O    parsed_1kkg   1   
        52   1   2   .   .   .   .   .   .   .   .   .    68   GLY   HN   parsed_1kkg   1   
        53   1   1   .   .   .   .   .   .   .   .   .    65   VAL   O    parsed_1kkg   1   
        53   1   2   .   .   .   .   .   .   .   .   .    69   ILE   N    parsed_1kkg   1   
        54   1   1   .   .   .   .   .   .   .   .   .    65   VAL   O    parsed_1kkg   1   
        54   1   2   .   .   .   .   .   .   .   .   .    69   ILE   HN   parsed_1kkg   1   
        55   1   1   .   .   .   .   .   .   .   .   .    66   LYS   O    parsed_1kkg   1   
        55   1   2   .   .   .   .   .   .   .   .   .    70   LYS   N    parsed_1kkg   1   
        56   1   1   .   .   .   .   .   .   .   .   .    66   LYS   O    parsed_1kkg   1   
        56   1   2   .   .   .   .   .   .   .   .   .    70   LYS   HN   parsed_1kkg   1   
        57   1   1   .   .   .   .   .   .   .   .   .    67   ALA   O    parsed_1kkg   1   
        57   1   2   .   .   .   .   .   .   .   .   .    71   ALA   N    parsed_1kkg   1   
        58   1   1   .   .   .   .   .   .   .   .   .    67   ALA   O    parsed_1kkg   1   
        58   1   2   .   .   .   .   .   .   .   .   .    71   ALA   HN   parsed_1kkg   1   
        59   1   1   .   .   .   .   .   .   .   .   .    68   GLY   O    parsed_1kkg   1   
        59   1   2   .   .   .   .   .   .   .   .   .    72   LEU   N    parsed_1kkg   1   
        60   1   1   .   .   .   .   .   .   .   .   .    68   GLY   O    parsed_1kkg   1   
        60   1   2   .   .   .   .   .   .   .   .   .    72   LEU   HN   parsed_1kkg   1   
        61   1   1   .   .   .   .   .   .   .   .   .    69   ILE   O    parsed_1kkg   1   
        61   1   2   .   .   .   .   .   .   .   .   .    73   GLN   N    parsed_1kkg   1   
        62   1   1   .   .   .   .   .   .   .   .   .    69   ILE   O    parsed_1kkg   1   
        62   1   2   .   .   .   .   .   .   .   .   .    73   GLN   HN   parsed_1kkg   1   
        63   1   1   .   .   .   .   .   .   .   .   .    70   LYS   O    parsed_1kkg   1   
        63   1   2   .   .   .   .   .   .   .   .   .    74   GLU   N    parsed_1kkg   1   
        64   1   1   .   .   .   .   .   .   .   .   .    70   LYS   O    parsed_1kkg   1   
        64   1   2   .   .   .   .   .   .   .   .   .    74   GLU   HN   parsed_1kkg   1   
        65   1   1   .   .   .   .   .   .   .   .   .    71   ALA   O    parsed_1kkg   1   
        65   1   2   .   .   .   .   .   .   .   .   .    75   ALA   N    parsed_1kkg   1   
        66   1   1   .   .   .   .   .   .   .   .   .    71   ALA   O    parsed_1kkg   1   
        66   1   2   .   .   .   .   .   .   .   .   .    75   ALA   HN   parsed_1kkg   1   
        67   1   1   .   .   .   .   .   .   .   .   .    75   ALA   O    parsed_1kkg   1   
        67   1   2   .   .   .   .   .   .   .   .   .    79   ILE   N    parsed_1kkg   1   
        68   1   1   .   .   .   .   .   .   .   .   .    75   ALA   O    parsed_1kkg   1   
        68   1   2   .   .   .   .   .   .   .   .   .    79   ILE   HN   parsed_1kkg   1   
        69   1   1   .   .   .   .   .   .   .   .   .    76   SER   O    parsed_1kkg   1   
        69   1   2   .   .   .   .   .   .   .   .   .    80   ARG   N    parsed_1kkg   1   
        70   1   1   .   .   .   .   .   .   .   .   .    76   SER   O    parsed_1kkg   1   
        70   1   2   .   .   .   .   .   .   .   .   .    80   ARG   HN   parsed_1kkg   1   
        71   1   1   .   .   .   .   .   .   .   .   .    77   GLY   O    parsed_1kkg   1   
        71   1   2   .   .   .   .   .   .   .   .   .    81   SER   N    parsed_1kkg   1   
        72   1   1   .   .   .   .   .   .   .   .   .    77   GLY   O    parsed_1kkg   1   
        72   1   2   .   .   .   .   .   .   .   .   .    81   SER   HN   parsed_1kkg   1   
        73   1   1   .   .   .   .   .   .   .   .   .    78   PHE   O    parsed_1kkg   1   
        73   1   2   .   .   .   .   .   .   .   .   .    82   LEU   N    parsed_1kkg   1   
        74   1   1   .   .   .   .   .   .   .   .   .    78   PHE   O    parsed_1kkg   1   
        74   1   2   .   .   .   .   .   .   .   .   .    82   LEU   HN   parsed_1kkg   1   
        75   1   1   .   .   .   .   .   .   .   .   .    79   ILE   O    parsed_1kkg   1   
        75   1   2   .   .   .   .   .   .   .   .   .    83   LEU   N    parsed_1kkg   1   
        76   1   1   .   .   .   .   .   .   .   .   .    79   ILE   O    parsed_1kkg   1   
        76   1   2   .   .   .   .   .   .   .   .   .    83   LEU   HN   parsed_1kkg   1   
        77   1   1   .   .   .   .   .   .   .   .   .    80   ARG   O    parsed_1kkg   1   
        77   1   2   .   .   .   .   .   .   .   .   .    84   GLY   N    parsed_1kkg   1   
        78   1   1   .   .   .   .   .   .   .   .   .    80   ARG   O    parsed_1kkg   1   
        78   1   2   .   .   .   .   .   .   .   .   .    84   GLY   HN   parsed_1kkg   1   
        79   1   1   .   .   .   .   .   .   .   .   .    81   SER   O    parsed_1kkg   1   
        79   1   2   .   .   .   .   .   .   .   .   .    85   LYS   N    parsed_1kkg   1   
        80   1   1   .   .   .   .   .   .   .   .   .    81   SER   O    parsed_1kkg   1   
        80   1   2   .   .   .   .   .   .   .   .   .    85   LYS   HN   parsed_1kkg   1   
        81   1   1   .   .   .   .   .   .   .   .   .    82   LEU   O    parsed_1kkg   1   
        81   1   2   .   .   .   .   .   .   .   .   .    86   ALA   N    parsed_1kkg   1   
        82   1   1   .   .   .   .   .   .   .   .   .    82   LEU   O    parsed_1kkg   1   
        82   1   2   .   .   .   .   .   .   .   .   .    86   ALA   HN   parsed_1kkg   1   
        83   1   1   .   .   .   .   .   .   .   .   .    94   GLU   O    parsed_1kkg   1   
        83   1   2   .   .   .   .   .   .   .   .   .    50   ALA   N    parsed_1kkg   1   
        84   1   1   .   .   .   .   .   .   .   .   .    94   GLU   O    parsed_1kkg   1   
        84   1   2   .   .   .   .   .   .   .   .   .    50   ALA   HN   parsed_1kkg   1   
        85   1   1   .   .   .   .   .   .   .   .   .    96   THR   O    parsed_1kkg   1   
        85   1   2   .   .   .   .   .   .   .   .   .    52   VAL   N    parsed_1kkg   1   
        86   1   1   .   .   .   .   .   .   .   .   .    96   THR   O    parsed_1kkg   1   
        86   1   2   .   .   .   .   .   .   .   .   .    52   VAL   HN   parsed_1kkg   1   
        87   1   1   .   .   .   .   .   .   .   .   .    98   PHE   O    parsed_1kkg   1   
        87   1   2   .   .   .   .   .   .   .   .   .    54   VAL   N    parsed_1kkg   1   
        88   1   1   .   .   .   .   .   .   .   .   .    98   PHE   O    parsed_1kkg   1   
        88   1   2   .   .   .   .   .   .   .   .   .    54   VAL   HN   parsed_1kkg   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
         2   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
         3   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
         4   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
         5   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
         6   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
         7   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
         8   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
         9   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        10   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        11   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        12   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        13   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        14   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        15   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        16   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        17   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        18   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        19   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        20   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        21   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        22   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        23   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        24   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        25   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        26   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        27   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        28   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        29   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        30   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        31   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        32   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        33   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        34   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        35   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        36   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        37   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        38   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        39   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        40   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        41   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        42   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        43   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        44   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        45   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        46   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        47   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        48   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        49   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        50   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        51   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        52   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        53   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        54   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        55   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        56   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        57   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        58   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        59   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        60   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        61   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        62   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        63   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        64   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        65   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        66   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        67   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        68   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        69   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        70   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        71   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        72   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        73   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        74   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        75   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        76   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        77   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        78   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        79   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        80   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        81   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        82   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        83   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        84   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        85   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        86   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
        87   1   .   .   .   .   .   .   .   3.00   parsed_1kkg   1   
        88   1   .   .   .   .   .   .   .   2.00   parsed_1kkg   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

         1   "hbond upper-limit distance constraints"     1    1    1   41   parsed_1kkg   1   
         2    hbond                                       3   40    3   46   parsed_1kkg   1   
         3    hbond                                       4   40    4   46   parsed_1kkg   1   
         4    hbond                                       5   40    5   46   parsed_1kkg   1   
         5    hbond                                       6   40    6   46   parsed_1kkg   1   
         6    hbond                                       7   40    7   46   parsed_1kkg   1   
         7    hbond                                       8   40    8   46   parsed_1kkg   1   
         8    hbond                                       9   40    9   46   parsed_1kkg   1   
         9    hbond                                      10   40   10   46   parsed_1kkg   1   
        10    hbond                                      11   40   11   46   parsed_1kkg   1   
        11    hbond                                      12   40   12   46   parsed_1kkg   1   
        12    hbond                                      13   40   13   46   parsed_1kkg   1   
        13    hbond                                      14   40   14   46   parsed_1kkg   1   
        14    hbond                                      15   40   15   46   parsed_1kkg   1   
        15    hbond                                      16   40   16   46   parsed_1kkg   1   
        16    hbond                                      17   40   17   46   parsed_1kkg   1   
        17    hbond                                      18   40   18   46   parsed_1kkg   1   
        18    hbond                                      19   40   19   46   parsed_1kkg   1   
        19    hbond                                      20   40   20   46   parsed_1kkg   1   
        20    hbond                                      21   40   21   46   parsed_1kkg   1   
        21    hbond                                      22   40   22   46   parsed_1kkg   1   
        22    hbond                                      23   40   23   46   parsed_1kkg   1   
        23    hbond                                      24   40   24   46   parsed_1kkg   1   
        24    hbond                                      25   40   25   46   parsed_1kkg   1   
        25    hbond                                      26   40   26   46   parsed_1kkg   1   
        26    hbond                                      27   40   27   46   parsed_1kkg   1   
        27    hbond                                      28   40   28   46   parsed_1kkg   1   
        28    hbond                                      29   40   29   46   parsed_1kkg   1   
        29    hbond                                      30   40   30   46   parsed_1kkg   1   
        30    hbond                                      31   40   31   46   parsed_1kkg   1   
        31    hbond                                      32   40   32   46   parsed_1kkg   1   
        32    hbond                                      33   40   33   46   parsed_1kkg   1   
        33    hbond                                      34   40   34   46   parsed_1kkg   1   
        34    hbond                                      35   40   35   46   parsed_1kkg   1   
        35    hbond                                      36   40   36   46   parsed_1kkg   1   
        36    hbond                                      37   40   37   46   parsed_1kkg   1   
        37    hbond                                      38   40   38   46   parsed_1kkg   1   
        38    hbond                                      39   40   39   46   parsed_1kkg   1   
        39    hbond                                      40   40   40   46   parsed_1kkg   1   
        40    hbond                                      41   40   41   46   parsed_1kkg   1   
        41    hbond                                      42   40   42   46   parsed_1kkg   1   
        42    hbond                                      43   40   43   46   parsed_1kkg   1   
        43    hbond                                      44   40   44   46   parsed_1kkg   1   
        44    hbond                                      45   40   45   46   parsed_1kkg   1   
        45    hbond                                      46   40   46   46   parsed_1kkg   1   
        46    hbond                                      47   40   47   46   parsed_1kkg   1   
        47    hbond                                      48   40   48   46   parsed_1kkg   1   
        48    hbond                                      49   40   49   46   parsed_1kkg   1   
        49    hbond                                      50   40   50   46   parsed_1kkg   1   
        50    hbond                                      51   40   51   46   parsed_1kkg   1   
        51    hbond                                      52   40   52   46   parsed_1kkg   1   
        52    hbond                                      53   40   53   46   parsed_1kkg   1   
        53    hbond                                      54   40   54   46   parsed_1kkg   1   
        54    hbond                                      55   40   55   46   parsed_1kkg   1   
        55    hbond                                      56   40   56   46   parsed_1kkg   1   
        56    hbond                                      57   40   57   46   parsed_1kkg   1   
        57    hbond                                      58   40   58   46   parsed_1kkg   1   
        58    hbond                                      59   40   59   46   parsed_1kkg   1   
        59    hbond                                      60   40   60   46   parsed_1kkg   1   
        60    hbond                                      61   40   61   46   parsed_1kkg   1   
        61    hbond                                      62   40   62   46   parsed_1kkg   1   
        62    hbond                                      63   40   63   46   parsed_1kkg   1   
        63    hbond                                      64   40   64   46   parsed_1kkg   1   
        64    hbond                                      65   40   65   46   parsed_1kkg   1   
        65    hbond                                      66   40   66   46   parsed_1kkg   1   
        66    hbond                                      67   40   67   46   parsed_1kkg   1   
        67    hbond                                      68   40   68   46   parsed_1kkg   1   
        68    hbond                                      69   40   69   46   parsed_1kkg   1   
        69    hbond                                      70   40   70   46   parsed_1kkg   1   
        70    hbond                                      71   40   71   46   parsed_1kkg   1   
        71    hbond                                      72   40   72   46   parsed_1kkg   1   
        72    hbond                                      73   40   73   46   parsed_1kkg   1   
        73    hbond                                      74   40   74   46   parsed_1kkg   1   
        74    hbond                                      75   40   75   46   parsed_1kkg   1   
        75    hbond                                      76   40   76   46   parsed_1kkg   1   
        76    hbond                                      77   40   77   46   parsed_1kkg   1   
        77    hbond                                      78   40   78   46   parsed_1kkg   1   
        78    hbond                                      79   40   79   46   parsed_1kkg   1   
        79    hbond                                      80   40   80   46   parsed_1kkg   1   
        80    hbond                                      81   40   81   46   parsed_1kkg   1   
        81    hbond                                      82   40   82   46   parsed_1kkg   1   
        82    hbond                                      83   40   83   46   parsed_1kkg   1   
        83    hbond                                      84   40   84   46   parsed_1kkg   1   
        84    hbond                                      85   40   85   46   parsed_1kkg   1   
        85    hbond                                      86   40   86   46   parsed_1kkg   1   
        86    hbond                                      87   40   87   46   parsed_1kkg   1   
        87    hbond                                      88   40   88   46   parsed_1kkg   1   
        88    hbond                                      89   40   89   46   parsed_1kkg   1   
        89    hbond                                      90   40   90   46   parsed_1kkg   1   
    stop_

save_





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