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
34492 1jzu 4664 cing recoord 2-parsed STAR distance NOE ambi 33


data_1jzu_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1jzu 
    _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_1jzu   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1jzu 
    _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   1jzu   "Master copy"    parsed_1jzu   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1jzu 
    _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   1jzu.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1jzu   1   
        1   1jzu.mr   .   .    XPLOR/CNS      2    distance                  NOE                 ambi               445   parsed_1jzu   1   
        1   1jzu.mr   .   .    XPLOR/CNS      3    distance                  NOE                 ambi               281   parsed_1jzu   1   
        1   1jzu.mr   .   .    XPLOR/CNS      4    distance                  NOE                 ambi               434   parsed_1jzu   1   
        1   1jzu.mr   .   .    XPLOR/CNS      5    distance                  NOE                 ambi               196   parsed_1jzu   1   
        1   1jzu.mr   .   .    XPLOR/CNS      6    distance                  NOE                 ambi                46   parsed_1jzu   1   
        1   1jzu.mr   .   .    XPLOR/CNS      7    distance                  NOE                 ambi               108   parsed_1jzu   1   
        1   1jzu.mr   .   .    XPLOR/CNS      8    distance                  NOE                 ambi                33   parsed_1jzu   1   
        1   1jzu.mr   .   .    XPLOR/CNS      9    distance                 "hydrogen bond"      simple               0   parsed_1jzu   1   
        1   1jzu.mr   .   .   "MR format"    10   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1jzu   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_8
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1jzu 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            8 
    _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   2    .   OR   parsed_1jzu   1   
         1   2    .   3   .    parsed_1jzu   1   
         1   3    .    .   .    parsed_1jzu   1   
         2   1   2    .   OR   parsed_1jzu   1   
         2   2    .   3   .    parsed_1jzu   1   
         2   3    .   4   .    parsed_1jzu   1   
         2   4    .    .   .    parsed_1jzu   1   
         3   1   2    .   OR   parsed_1jzu   1   
         3   2    .   3   .    parsed_1jzu   1   
         3   3    .   4   .    parsed_1jzu   1   
         3   4    .   5   .    parsed_1jzu   1   
         3   5    .   6   .    parsed_1jzu   1   
         3   6    .    .   .    parsed_1jzu   1   
         4   1   2    .   OR   parsed_1jzu   1   
         4   2    .   3   .    parsed_1jzu   1   
         4   3    .   4   .    parsed_1jzu   1   
         4   4    .    .   .    parsed_1jzu   1   
         5   1   2    .   OR   parsed_1jzu   1   
         5   2    .   3   .    parsed_1jzu   1   
         5   3    .    .   .    parsed_1jzu   1   
         6   1   2    .   OR   parsed_1jzu   1   
         6   2    .   3   .    parsed_1jzu   1   
         6   3    .   4   .    parsed_1jzu   1   
         6   4    .    .   .    parsed_1jzu   1   
         7   1   2    .   OR   parsed_1jzu   1   
         7   2    .   3   .    parsed_1jzu   1   
         7   3    .    .   .    parsed_1jzu   1   
         8   1   2    .   OR   parsed_1jzu   1   
         8   2    .   3   .    parsed_1jzu   1   
         8   3    .    .   .    parsed_1jzu   1   
         9   1   2    .   OR   parsed_1jzu   1   
         9   2    .   3   .    parsed_1jzu   1   
         9   3    .    .   .    parsed_1jzu   1   
        10   1   2    .   OR   parsed_1jzu   1   
        10   2    .   3   .    parsed_1jzu   1   
        10   3    .    .   .    parsed_1jzu   1   
        11   1   2    .   OR   parsed_1jzu   1   
        11   2    .   3   .    parsed_1jzu   1   
        11   3    .    .   .    parsed_1jzu   1   
        12   1   2    .   OR   parsed_1jzu   1   
        12   2    .   3   .    parsed_1jzu   1   
        12   3    .    .   .    parsed_1jzu   1   
        13   1   2    .   OR   parsed_1jzu   1   
        13   2    .   3   .    parsed_1jzu   1   
        13   3    .    .   .    parsed_1jzu   1   
        14   1   2    .   OR   parsed_1jzu   1   
        14   2    .   3   .    parsed_1jzu   1   
        14   3    .    .   .    parsed_1jzu   1   
        15   1   2    .   OR   parsed_1jzu   1   
        15   2    .   3   .    parsed_1jzu   1   
        15   3    .    .   .    parsed_1jzu   1   
        16   1   2    .   OR   parsed_1jzu   1   
        16   2    .   3   .    parsed_1jzu   1   
        16   3    .    .   .    parsed_1jzu   1   
        17   1   2    .   OR   parsed_1jzu   1   
        17   2    .   3   .    parsed_1jzu   1   
        17   3    .   4   .    parsed_1jzu   1   
        17   4    .    .   .    parsed_1jzu   1   
        18   1   2    .   OR   parsed_1jzu   1   
        18   2    .   3   .    parsed_1jzu   1   
        18   3    .    .   .    parsed_1jzu   1   
        19   1   2    .   OR   parsed_1jzu   1   
        19   2    .   3   .    parsed_1jzu   1   
        19   3    .    .   .    parsed_1jzu   1   
        20   1   2    .   OR   parsed_1jzu   1   
        20   2    .   3   .    parsed_1jzu   1   
        20   3    .   4   .    parsed_1jzu   1   
        20   4    .    .   .    parsed_1jzu   1   
        21   1   2    .   OR   parsed_1jzu   1   
        21   2    .   3   .    parsed_1jzu   1   
        21   3    .   4   .    parsed_1jzu   1   
        21   4    .    .   .    parsed_1jzu   1   
        22   1   2    .   OR   parsed_1jzu   1   
        22   2    .   3   .    parsed_1jzu   1   
        22   3    .   4   .    parsed_1jzu   1   
        22   4    .    .   .    parsed_1jzu   1   
        23   1   2    .   OR   parsed_1jzu   1   
        23   2    .   3   .    parsed_1jzu   1   
        23   3    .   4   .    parsed_1jzu   1   
        23   4    .    .   .    parsed_1jzu   1   
        24   1   2    .   OR   parsed_1jzu   1   
        24   2    .   3   .    parsed_1jzu   1   
        24   3    .   4   .    parsed_1jzu   1   
        24   4    .    .   .    parsed_1jzu   1   
        25   1   2    .   OR   parsed_1jzu   1   
        25   2    .   3   .    parsed_1jzu   1   
        25   3    .    .   .    parsed_1jzu   1   
        26   1   2    .   OR   parsed_1jzu   1   
        26   2    .   3   .    parsed_1jzu   1   
        26   3    .   4   .    parsed_1jzu   1   
        26   4    .    .   .    parsed_1jzu   1   
        27   1   2    .   OR   parsed_1jzu   1   
        27   2    .   3   .    parsed_1jzu   1   
        27   3    .    .   .    parsed_1jzu   1   
        28   1   2    .   OR   parsed_1jzu   1   
        28   2    .   3   .    parsed_1jzu   1   
        28   3    .   4   .    parsed_1jzu   1   
        28   4    .    .   .    parsed_1jzu   1   
        29   1   2    .   OR   parsed_1jzu   1   
        29   2    .   3   .    parsed_1jzu   1   
        29   3    .   4   .    parsed_1jzu   1   
        29   4    .    .   .    parsed_1jzu   1   
        30   1   2    .   OR   parsed_1jzu   1   
        30   2    .   3   .    parsed_1jzu   1   
        30   3    .   4   .    parsed_1jzu   1   
        30   4    .    .   .    parsed_1jzu   1   
        31   1   2    .   OR   parsed_1jzu   1   
        31   2    .   3   .    parsed_1jzu   1   
        31   3    .   4   .    parsed_1jzu   1   
        31   4    .    .   .    parsed_1jzu   1   
        32   1   2    .   OR   parsed_1jzu   1   
        32   2    .   3   .    parsed_1jzu   1   
        32   3    .   4   .    parsed_1jzu   1   
        32   4    .   5   .    parsed_1jzu   1   
        32   5    .    .   .    parsed_1jzu   1   
        33   1   2    .   OR   parsed_1jzu   1   
        33   2    .   3   .    parsed_1jzu   1   
        33   3    .   4   .    parsed_1jzu   1   
        33   4    .    .   .    parsed_1jzu   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   2   1   .   .   .   .   .   .   .   .   PEPT   125   .   HA     parsed_1jzu   1   
         1   2   2   .   .   .   .   .   .   .   .   PEPT    96   .   HB%    parsed_1jzu   1   
         1   3   1   .   .   .   .   .   .   .   .   PEPT   125   .   HA     parsed_1jzu   1   
         1   3   2   .   .   .   .   .   .   .   .   PEPT    17   .   HB%    parsed_1jzu   1   
         2   2   1   .   .   .   .   .   .   .   .   PEPT    89   .   HB2    parsed_1jzu   1   
         2   2   2   .   .   .   .   .   .   .   .   PEPT    87   .   HG1%   parsed_1jzu   1   
         2   3   1   .   .   .   .   .   .   .   .   PEPT    89   .   HB2    parsed_1jzu   1   
         2   3   2   .   .   .   .   .   .   .   .   PEPT   132   .   HD1%   parsed_1jzu   1   
         2   4   1   .   .   .   .   .   .   .   .   PEPT    89   .   HB2    parsed_1jzu   1   
         2   4   2   .   .   .   .   .   .   .   .   PEPT   132   .   HD2%   parsed_1jzu   1   
         3   2   1   .   .   .   .   .   .   .   .   PEPT   114   .   HB1    parsed_1jzu   1   
         3   2   2   .   .   .   .   .   .   .   .   PEPT   113   .   HG1    parsed_1jzu   1   
         3   3   1   .   .   .   .   .   .   .   .   PEPT   114   .   HB2    parsed_1jzu   1   
         3   3   2   .   .   .   .   .   .   .   .   PEPT    97   .   HG1%   parsed_1jzu   1   
         3   4   1   .   .   .   .   .   .   .   .   PEPT   114   .   HB2    parsed_1jzu   1   
         3   4   2   .   .   .   .   .   .   .   .   PEPT   113   .   HG1    parsed_1jzu   1   
         3   5   1   .   .   .   .   .   .   .   .   PEPT   114   .   HB2    parsed_1jzu   1   
         3   5   2   .   .   .   .   .   .   .   .   PEPT   113   .   HG2    parsed_1jzu   1   
         3   6   1   .   .   .   .   .   .   .   .   PEPT   114   .   HB1    parsed_1jzu   1   
         3   6   2   .   .   .   .   .   .   .   .   PEPT    97   .   HG1%   parsed_1jzu   1   
         4   2   1   .   .   .   .   .   .   .   .   PEPT    51   .   HB2    parsed_1jzu   1   
         4   2   2   .   .   .   .   .   .   .   .   PEPT    53   .   HA     parsed_1jzu   1   
         4   3   1   .   .   .   .   .   .   .   .   PEPT    95   .   HB1    parsed_1jzu   1   
         4   3   2   .   .   .   .   .   .   .   .   PEPT   122   .   HA     parsed_1jzu   1   
         4   4   1   .   .   .   .   .   .   .   .   PEPT    95   .   HB1    parsed_1jzu   1   
         4   4   2   .   .   .   .   .   .   .   .   PEPT    89   .   HA     parsed_1jzu   1   
         5   2   1   .   .   .   .   .   .   .   .   PEPT    51   .   HB1    parsed_1jzu   1   
         5   2   2   .   .   .   .   .   .   .   .   PEPT    53   .   HA     parsed_1jzu   1   
         5   3   1   .   .   .   .   .   .   .   .   PEPT    95   .   HB2    parsed_1jzu   1   
         5   3   2   .   .   .   .   .   .   .   .   PEPT   122   .   HA     parsed_1jzu   1   
         6   2   1   .   .   .   .   .   .   .   .   PEPT    95   .   HB2    parsed_1jzu   1   
         6   2   2   .   .   .   .   .   .   .   .   PEPT   121   .   HG1%   parsed_1jzu   1   
         6   3   1   .   .   .   .   .   .   .   .   PEPT    95   .   HB2    parsed_1jzu   1   
         6   3   2   .   .   .   .   .   .   .   .   PEPT   128   .   HG12   parsed_1jzu   1   
         6   4   1   .   .   .   .   .   .   .   .   PEPT    95   .   HB2    parsed_1jzu   1   
         6   4   2   .   .   .   .   .   .   .   .   PEPT   126   .   HG2%   parsed_1jzu   1   
         7   2   1   .   .   .   .   .   .   .   .   PEPT    98   .   HB     parsed_1jzu   1   
         7   2   2   .   .   .   .   .   .   .   .   PEPT    99   .   HN     parsed_1jzu   1   
         7   3   1   .   .   .   .   .   .   .   .   PEPT    98   .   HB     parsed_1jzu   1   
         7   3   2   .   .   .   .   .   .   .   .   PEPT    98   .   HN     parsed_1jzu   1   
         8   2   1   .   .   .   .   .   .   .   .   PEPT    98   .   HB     parsed_1jzu   1   
         8   2   2   .   .   .   .   .   .   .   .   PEPT    98   .   HD1%   parsed_1jzu   1   
         8   3   1   .   .   .   .   .   .   .   .   PEPT    98   .   HB     parsed_1jzu   1   
         8   3   2   .   .   .   .   .   .   .   .   PEPT    87   .   HG2%   parsed_1jzu   1   
         9   2   1   .   .   .   .   .   .   .   .   PEPT    51   .   HB1    parsed_1jzu   1   
         9   2   2   .   .   .   .   .   .   .   .   PEPT    13   .   HB2    parsed_1jzu   1   
         9   3   1   .   .   .   .   .   .   .   .   PEPT    51   .   HB1    parsed_1jzu   1   
         9   3   2   .   .   .   .   .   .   .   .   PEPT    14   .   HB1    parsed_1jzu   1   
        10   2   1   .   .   .   .   .   .   .   .   PEPT   155   .   HB2    parsed_1jzu   1   
        10   2   2   .   .   .   .   .   .   .   .   PEPT   155   .   HN     parsed_1jzu   1   
        10   3   1   .   .   .   .   .   .   .   .   PEPT   155   .   HB2    parsed_1jzu   1   
        10   3   2   .   .   .   .   .   .   .   .   PEPT   156   .   HN     parsed_1jzu   1   
        11   2   1   .   .   .   .   .   .   .   .   PEPT    39   .   HB     parsed_1jzu   1   
        11   2   2   .   .   .   .   .   .   .   .   PEPT    12   .   HN     parsed_1jzu   1   
        11   3   1   .   .   .   .   .   .   .   .   PEPT    39   .   HB     parsed_1jzu   1   
        11   3   2   .   .   .   .   .   .   .   .   PEPT    11   .   HN     parsed_1jzu   1   
        12   2   1   .   .   .   .   .   .   .   .   PEPT    39   .   HB     parsed_1jzu   1   
        12   2   2   .   .   .   .   .   .   .   .   PEPT    39   .   HG2%   parsed_1jzu   1   
        12   3   1   .   .   .   .   .   .   .   .   PEPT    39   .   HB     parsed_1jzu   1   
        12   3   2   .   .   .   .   .   .   .   .   PEPT    49   .   HG2%   parsed_1jzu   1   
        13   2   1   .   .   .   .   .   .   .   .   PEPT   129   .   HB1    parsed_1jzu   1   
        13   2   2   .   .   .   .   .   .   .   .   PEPT    17   .   HB%    parsed_1jzu   1   
        13   3   1   .   .   .   .   .   .   .   .   PEPT   129   .   HB1    parsed_1jzu   1   
        13   3   2   .   .   .   .   .   .   .   .   PEPT   128   .   HG2%   parsed_1jzu   1   
        14   2   1   .   .   .   .   .   .   .   .   PEPT   105   .   HB1    parsed_1jzu   1   
        14   2   2   .   .   .   .   .   .   .   .   PEPT   106   .   HN     parsed_1jzu   1   
        14   3   1   .   .   .   .   .   .   .   .   PEPT    30   .   HB1    parsed_1jzu   1   
        14   3   2   .   .   .   .   .   .   .   .   PEPT    30   .   HN     parsed_1jzu   1   
        15   2   1   .   .   .   .   .   .   .   .   PEPT     9   .   HB     parsed_1jzu   1   
        15   2   2   .   .   .   .   .   .   .   .   PEPT     9   .   HN     parsed_1jzu   1   
        15   3   1   .   .   .   .   .   .   .   .   PEPT     9   .   HB     parsed_1jzu   1   
        15   3   2   .   .   .   .   .   .   .   .   PEPT    10   .   HN     parsed_1jzu   1   
        16   2   1   .   .   .   .   .   .   .   .   PEPT     9   .   HB     parsed_1jzu   1   
        16   2   2   .   .   .   .   .   .   .   .   PEPT    13   .   HD1    parsed_1jzu   1   
        16   3   1   .   .   .   .   .   .   .   .   PEPT     9   .   HB     parsed_1jzu   1   
        16   3   2   .   .   .   .   .   .   .   .   PEPT    92   .   HE%    parsed_1jzu   1   
        17   2   1   .   .   .   .   .   .   .   .   PEPT    36   .   HB2    parsed_1jzu   1   
        17   2   2   .   .   .   .   .   .   .   .   PEPT    51   .   HA     parsed_1jzu   1   
        17   3   1   .   .   .   .   .   .   .   .   PEPT    36   .   HB1    parsed_1jzu   1   
        17   3   2   .   .   .   .   .   .   .   .   PEPT    51   .   HA     parsed_1jzu   1   
        17   4   1   .   .   .   .   .   .   .   .   PEPT    36   .   HB1    parsed_1jzu   1   
        17   4   2   .   .   .   .   .   .   .   .   PEPT    52   .   HA     parsed_1jzu   1   
        18   2   1   .   .   .   .   .   .   .   .   PEPT   151   .   HG2    parsed_1jzu   1   
        18   2   2   .   .   .   .   .   .   .   .   PEPT   151   .   HN     parsed_1jzu   1   
        18   3   1   .   .   .   .   .   .   .   .   PEPT     8   .   HG1    parsed_1jzu   1   
        18   3   2   .   .   .   .   .   .   .   .   PEPT     8   .   HN     parsed_1jzu   1   
        19   2   1   .   .   .   .   .   .   .   .   PEPT     8   .   HG2    parsed_1jzu   1   
        19   2   2   .   .   .   .   .   .   .   .   PEPT     9   .   HG11   parsed_1jzu   1   
        19   3   1   .   .   .   .   .   .   .   .   PEPT     8   .   HG2    parsed_1jzu   1   
        19   3   2   .   .   .   .   .   .   .   .   PEPT    10   .   HB%    parsed_1jzu   1   
        20   2   1   .   .   .   .   .   .   .   .   PEPT   135   .   HG1    parsed_1jzu   1   
        20   2   2   .   .   .   .   .   .   .   .   PEPT   133   .   HB%    parsed_1jzu   1   
        20   3   1   .   .   .   .   .   .   .   .   PEPT   135   .   HG1    parsed_1jzu   1   
        20   3   2   .   .   .   .   .   .   .   .   PEPT   132   .   HD1%   parsed_1jzu   1   
        20   4   1   .   .   .   .   .   .   .   .   PEPT   135   .   HG1    parsed_1jzu   1   
        20   4   2   .   .   .   .   .   .   .   .   PEPT   132   .   HD2%   parsed_1jzu   1   
        21   2   1   .   .   .   .   .   .   .   .   PEPT   141   .   HG1    parsed_1jzu   1   
        21   2   2   .   .   .   .   .   .   .   .   PEPT   138   .   HD%    parsed_1jzu   1   
        21   3   1   .   .   .   .   .   .   .   .   PEPT   141   .   HG1    parsed_1jzu   1   
        21   3   2   .   .   .   .   .   .   .   .   PEPT   143   .   HN     parsed_1jzu   1   
        21   4   1   .   .   .   .   .   .   .   .   PEPT   141   .   HG2    parsed_1jzu   1   
        21   4   2   .   .   .   .   .   .   .   .   PEPT   143   .   HN     parsed_1jzu   1   
        22   2   1   .   .   .   .   .   .   .   .   PEPT   141   .   HG2    parsed_1jzu   1   
        22   2   2   .   .   .   .   .   .   .   .   PEPT   141   .   HA     parsed_1jzu   1   
        22   3   1   .   .   .   .   .   .   .   .   PEPT   141   .   HG1    parsed_1jzu   1   
        22   3   2   .   .   .   .   .   .   .   .   PEPT   141   .   HA     parsed_1jzu   1   
        22   4   1   .   .   .   .   .   .   .   .   PEPT   151   .   HG2    parsed_1jzu   1   
        22   4   2   .   .   .   .   .   .   .   .   PEPT   151   .   HA     parsed_1jzu   1   
        23   2   1   .   .   .   .   .   .   .   .   PEPT    80   .   HG1    parsed_1jzu   1   
        23   2   2   .   .   .   .   .   .   .   .   PEPT    80   .   HN     parsed_1jzu   1   
        23   3   1   .   .   .   .   .   .   .   .   PEPT   141   .   HG2    parsed_1jzu   1   
        23   3   2   .   .   .   .   .   .   .   .   PEPT   141   .   HN     parsed_1jzu   1   
        23   4   1   .   .   .   .   .   .   .   .   PEPT   141   .   HG1    parsed_1jzu   1   
        23   4   2   .   .   .   .   .   .   .   .   PEPT   141   .   HN     parsed_1jzu   1   
        24   2   1   .   .   .   .   .   .   .   .   PEPT    44   .   HG1    parsed_1jzu   1   
        24   2   2   .   .   .   .   .   .   .   .   PEPT    45   .   HN     parsed_1jzu   1   
        24   3   1   .   .   .   .   .   .   .   .   PEPT    44   .   HG2    parsed_1jzu   1   
        24   3   2   .   .   .   .   .   .   .   .   PEPT    45   .   HN     parsed_1jzu   1   
        24   4   1   .   .   .   .   .   .   .   .   PEPT   156   .   HG1    parsed_1jzu   1   
        24   4   2   .   .   .   .   .   .   .   .   PEPT   156   .   HN     parsed_1jzu   1   
        25   2   1   .   .   .   .   .   .   .   .   PEPT    67   .   HB2    parsed_1jzu   1   
        25   2   2   .   .   .   .   .   .   .   .   PEPT    68   .   HN     parsed_1jzu   1   
        25   3   1   .   .   .   .   .   .   .   .   PEPT    67   .   HB2    parsed_1jzu   1   
        25   3   2   .   .   .   .   .   .   .   .   PEPT    67   .   HN     parsed_1jzu   1   
        26   2   1   .   .   .   .   .   .   .   .   PEPT    67   .   HB2    parsed_1jzu   1   
        26   2   2   .   .   .   .   .   .   .   .   PEPT    69   .   HG2%   parsed_1jzu   1   
        26   3   1   .   .   .   .   .   .   .   .   PEPT   120   .   HG2    parsed_1jzu   1   
        26   3   2   .   .   .   .   .   .   .   .   PEPT   125   .   HB%    parsed_1jzu   1   
        26   4   1   .   .   .   .   .   .   .   .   PEPT   120   .   HG1    parsed_1jzu   1   
        26   4   2   .   .   .   .   .   .   .   .   PEPT   125   .   HB%    parsed_1jzu   1   
        27   2   1   .   .   .   .   .   .   .   .   PEPT    67   .   HB1    parsed_1jzu   1   
        27   2   2   .   .   .   .   .   .   .   .   PEPT    67   .   HN     parsed_1jzu   1   
        27   3   1   .   .   .   .   .   .   .   .   PEPT    67   .   HB1    parsed_1jzu   1   
        27   3   2   .   .   .   .   .   .   .   .   PEPT    68   .   HN     parsed_1jzu   1   
        28   2   1   .   .   .   .   .   .   .   .   PEPT    63   .   HG2    parsed_1jzu   1   
        28   2   2   .   .   .   .   .   .   .   .   PEPT    63   .   HN     parsed_1jzu   1   
        28   3   1   .   .   .   .   .   .   .   .   PEPT    63   .   HG1    parsed_1jzu   1   
        28   3   2   .   .   .   .   .   .   .   .   PEPT    63   .   HN     parsed_1jzu   1   
        28   4   1   .   .   .   .   .   .   .   .   PEPT   112   .   HB2    parsed_1jzu   1   
        28   4   2   .   .   .   .   .   .   .   .   PEPT    19   .   HN     parsed_1jzu   1   
        29   2   1   .   .   .   .   .   .   .   .   PEPT    48   .   HB2    parsed_1jzu   1   
        29   2   2   .   .   .   .   .   .   .   .   PEPT    66   .   HA     parsed_1jzu   1   
        29   3   1   .   .   .   .   .   .   .   .   PEPT    48   .   HB1    parsed_1jzu   1   
        29   3   2   .   .   .   .   .   .   .   .   PEPT    66   .   HA     parsed_1jzu   1   
        29   4   1   .   .   .   .   .   .   .   .   PEPT    49   .   HB     parsed_1jzu   1   
        29   4   2   .   .   .   .   .   .   .   .   PEPT    66   .   HA     parsed_1jzu   1   
        30   2   1   .   .   .   .   .   .   .   .   PEPT    48   .   HB2    parsed_1jzu   1   
        30   2   2   .   .   .   .   .   .   .   .   PEPT    65   .   HG2%   parsed_1jzu   1   
        30   3   1   .   .   .   .   .   .   .   .   PEPT    49   .   HB     parsed_1jzu   1   
        30   3   2   .   .   .   .   .   .   .   .   PEPT    39   .   HG11   parsed_1jzu   1   
        30   4   1   .   .   .   .   .   .   .   .   PEPT    48   .   HB1    parsed_1jzu   1   
        30   4   2   .   .   .   .   .   .   .   .   PEPT    65   .   HG2%   parsed_1jzu   1   
        31   2   1   .   .   .   .   .   .   .   .   PEPT    49   .   HB     parsed_1jzu   1   
        31   2   2   .   .   .   .   .   .   .   .   PEPT     9   .   HD1%   parsed_1jzu   1   
        31   3   1   .   .   .   .   .   .   .   .   PEPT    48   .   HB1    parsed_1jzu   1   
        31   3   2   .   .   .   .   .   .   .   .   PEPT     9   .   HD1%   parsed_1jzu   1   
        31   4   1   .   .   .   .   .   .   .   .   PEPT    49   .   HB     parsed_1jzu   1   
        31   4   2   .   .   .   .   .   .   .   .   PEPT    87   .   HG1%   parsed_1jzu   1   
        32   2   1   .   .   .   .   .   .   .   .   PEPT    46   .   HB1    parsed_1jzu   1   
        32   2   2   .   .   .   .   .   .   .   .   PEPT    45   .   HN     parsed_1jzu   1   
        32   3   1   .   .   .   .   .   .   .   .   PEPT    46   .   HB2    parsed_1jzu   1   
        32   3   2   .   .   .   .   .   .   .   .   PEPT    45   .   HN     parsed_1jzu   1   
        32   4   1   .   .   .   .   .   .   .   .   PEPT    46   .   HB2    parsed_1jzu   1   
        32   4   2   .   .   .   .   .   .   .   .   PEPT    80   .   HN     parsed_1jzu   1   
        32   5   1   .   .   .   .   .   .   .   .   PEPT    46   .   HB1    parsed_1jzu   1   
        32   5   2   .   .   .   .   .   .   .   .   PEPT    80   .   HN     parsed_1jzu   1   
        33   2   1   .   .   .   .   .   .   .   .   PEPT   157   .   HB     parsed_1jzu   1   
        33   2   2   .   .   .   .   .   .   .   .   PEPT   157   .   HG2%   parsed_1jzu   1   
        33   3   1   .   .   .   .   .   .   .   .   PEPT   157   .   HB     parsed_1jzu   1   
        33   3   2   .   .   .   .   .   .   .   .   PEPT   157   .   HG1%   parsed_1jzu   1   
        33   4   1   .   .   .   .   .   .   .   .   PEPT    75   .   HB     parsed_1jzu   1   
        33   4   2   .   .   .   .   .   .   .   .   PEPT    75   .   HG2%   parsed_1jzu   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   2   .    78   0.17987E-02   .   .   2.700   0.000   6.000   parsed_1jzu   1   
         1   3   .    78   0.17987E-02   .   .   2.700   0.000   6.000   parsed_1jzu   1   
         2   2   .   266   0.40292E-02   .   .   3.100   1.900   4.300   parsed_1jzu   1   
         2   3   .   266   0.40292E-02   .   .   3.100   1.900   4.300   parsed_1jzu   1   
         2   4   .   266   0.40292E-02   .   .   3.100   1.900   4.300   parsed_1jzu   1   
         3   2   .   412   0.39929E-03   .   .   4.500   2.000   6.000   parsed_1jzu   1   
         3   3   .   412   0.39929E-03   .   .   4.500   2.000   6.000   parsed_1jzu   1   
         3   4   .   412   0.39929E-03   .   .   4.500   2.000   6.000   parsed_1jzu   1   
         3   5   .   412   0.39929E-03   .   .   4.500   2.000   6.000   parsed_1jzu   1   
         3   6   .   412   0.39929E-03   .   .   4.500   2.000   6.000   parsed_1jzu   1   
         4   2   .   508   0.11210E-02   .   .   3.900   2.000   5.800   parsed_1jzu   1   
         4   3   .   508   0.11210E-02   .   .   3.900   2.000   5.800   parsed_1jzu   1   
         4   4   .   508   0.11210E-02   .   .   3.900   2.000   5.800   parsed_1jzu   1   
         5   2   .   510   0.10225E-02   .   .   4.100   2.000   6.000   parsed_1jzu   1   
         5   3   .   510   0.10225E-02   .   .   4.100   2.000   6.000   parsed_1jzu   1   
         6   2   .   511   0.93132E-03   .   .   4.400   2.000   6.000   parsed_1jzu   1   
         6   3   .   511   0.93132E-03   .   .   4.400   2.000   6.000   parsed_1jzu   1   
         6   4   .   511   0.93132E-03   .   .   4.400   2.000   6.000   parsed_1jzu   1   
         7   2   .   528   0.13088E-02   .   .   3.600   2.000   5.200   parsed_1jzu   1   
         7   3   .   528   0.13088E-02   .   .   3.600   2.000   5.200   parsed_1jzu   1   
         8   2   .   532   0.15160E-02   .   .   3.100   1.900   4.300   parsed_1jzu   1   
         8   3   .   532   0.15160E-02   .   .   3.100   1.900   4.300   parsed_1jzu   1   
         9   2   .   542   0.14953E-02   .   .   2.400   0.000   6.000   parsed_1jzu   1   
         9   3   .   542   0.14953E-02   .   .   2.400   0.000   6.000   parsed_1jzu   1   
        10   2   .   547   0.18854E-01   .   .   2.000   1.500   2.500   parsed_1jzu   1   
        10   3   .   547   0.18854E-01   .   .   2.000   1.500   2.500   parsed_1jzu   1   
        11   2   .   604   0.48239E-03   .   .   4.300   2.000   6.000   parsed_1jzu   1   
        11   3   .   604   0.48239E-03   .   .   4.300   2.000   6.000   parsed_1jzu   1   
        12   2   .   606   0.22882E-02   .   .   2.500   1.700   3.300   parsed_1jzu   1   
        12   3   .   606   0.22882E-02   .   .   2.500   1.700   3.300   parsed_1jzu   1   
        13   2   .   609   0.89557E-03   .   .   4.200   2.000   6.000   parsed_1jzu   1   
        13   3   .   609   0.89557E-03   .   .   4.200   2.000   6.000   parsed_1jzu   1   
        14   2   .   622   0.40221E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        14   3   .   622   0.40221E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        15   2   .   623   0.23591E-02   .   .   2.700   1.800   3.600   parsed_1jzu   1   
        15   3   .   623   0.23591E-02   .   .   2.700   1.800   3.600   parsed_1jzu   1   
        16   2   .   624   0.14254E-02   .   .   4.100   2.000   6.000   parsed_1jzu   1   
        16   3   .   624   0.14254E-02   .   .   4.100   2.000   6.000   parsed_1jzu   1   
        17   2   .   649   0.16137E-02   .   .   3.800   2.000   5.600   parsed_1jzu   1   
        17   3   .   649   0.16137E-02   .   .   3.800   2.000   5.600   parsed_1jzu   1   
        17   4   .   649   0.16137E-02   .   .   3.800   2.000   5.600   parsed_1jzu   1   
        18   2   .   699   0.71405E-02   .   .   2.100   1.500   2.700   parsed_1jzu   1   
        18   3   .   699   0.71405E-02   .   .   2.100   1.500   2.700   parsed_1jzu   1   
        19   2   .   702   0.16130E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        19   3   .   702   0.16130E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        20   2   .   711   0.16694E-02   .   .   2.300   0.000   6.000   parsed_1jzu   1   
        20   3   .   711   0.16694E-02   .   .   2.300   0.000   6.000   parsed_1jzu   1   
        20   4   .   711   0.16694E-02   .   .   2.300   0.000   6.000   parsed_1jzu   1   
        21   2   .   713   0.24345E-03   .   .   4.400   2.000   6.000   parsed_1jzu   1   
        21   3   .   713   0.24345E-03   .   .   4.400   2.000   6.000   parsed_1jzu   1   
        21   4   .   713   0.24345E-03   .   .   4.400   2.000   6.000   parsed_1jzu   1   
        22   2   .   714   0.35637E-01   .   .   2.100   1.600   2.600   parsed_1jzu   1   
        22   3   .   714   0.35637E-01   .   .   2.100   1.600   2.600   parsed_1jzu   1   
        22   4   .   714   0.35637E-01   .   .   2.100   1.600   2.600   parsed_1jzu   1   
        23   2   .   716   0.13847E-01   .   .   2.800   1.800   3.800   parsed_1jzu   1   
        23   3   .   716   0.13847E-01   .   .   2.800   1.800   3.800   parsed_1jzu   1   
        23   4   .   716   0.13847E-01   .   .   2.800   1.800   3.800   parsed_1jzu   1   
        24   2   .   730   0.51762E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        24   3   .   730   0.51762E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        24   4   .   730   0.51762E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        25   2   .   758   0.23038E-02   .   .   3.100   1.900   4.300   parsed_1jzu   1   
        25   3   .   758   0.23038E-02   .   .   3.100   1.900   4.300   parsed_1jzu   1   
        26   2   .   760   0.13031E-02   .   .   3.900   2.000   5.800   parsed_1jzu   1   
        26   3   .   760   0.13031E-02   .   .   3.900   2.000   5.800   parsed_1jzu   1   
        26   4   .   760   0.13031E-02   .   .   3.900   2.000   5.800   parsed_1jzu   1   
        27   2   .   761   0.12573E-02   .   .   3.300   1.900   4.700   parsed_1jzu   1   
        27   3   .   761   0.12573E-02   .   .   3.300   1.900   4.700   parsed_1jzu   1   
        28   2   .   771   0.21804E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        28   3   .   771   0.21804E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        28   4   .   771   0.21804E-02   .   .   3.000   1.900   4.100   parsed_1jzu   1   
        29   2   .   825   0.75866E-03   .   .   4.100   2.000   6.000   parsed_1jzu   1   
        29   3   .   825   0.75866E-03   .   .   4.100   2.000   6.000   parsed_1jzu   1   
        29   4   .   825   0.75866E-03   .   .   4.100   2.000   6.000   parsed_1jzu   1   
        30   2   .   826   0.36068E-02   .   .   2.700   1.800   3.600   parsed_1jzu   1   
        30   3   .   826   0.36068E-02   .   .   2.700   1.800   3.600   parsed_1jzu   1   
        30   4   .   826   0.36068E-02   .   .   2.700   1.800   3.600   parsed_1jzu   1   
        31   2   .   827   0.24363E-02   .   .   2.200   0.000   6.000   parsed_1jzu   1   
        31   3   .   827   0.24363E-02   .   .   2.200   0.000   6.000   parsed_1jzu   1   
        31   4   .   827   0.24363E-02   .   .   2.200   0.000   6.000   parsed_1jzu   1   
        32   2   .   882   0.29177E-03   .   .   3.500   2.000   5.000   parsed_1jzu   1   
        32   3   .   882   0.29177E-03   .   .   3.500   2.000   5.000   parsed_1jzu   1   
        32   4   .   882   0.29177E-03   .   .   3.500   2.000   5.000   parsed_1jzu   1   
        32   5   .   882   0.29177E-03   .   .   3.500   2.000   5.000   parsed_1jzu   1   
        33   2   .   914   0.10634E-01   .   .   2.200   1.600   2.800   parsed_1jzu   1   
        33   3   .   914   0.10634E-01   .   .   2.200   1.600   2.800   parsed_1jzu   1   
        33   4   .   914   0.10634E-01   .   .   2.200   1.600   2.800   parsed_1jzu   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    78     1   7     1   7   parsed_1jzu   1   
         2    78     5   5     5   5   parsed_1jzu   1   
         3   266     8   7     8   7   parsed_1jzu   1   
         4   266    12   5    12   5   parsed_1jzu   1   
         5   266    15   5    15   5   parsed_1jzu   1   
         6   412    18   7    18   7   parsed_1jzu   1   
         7   412    22   5    22   5   parsed_1jzu   1   
         8   412    25   5    25   5   parsed_1jzu   1   
         9   412    28   5    28   5   parsed_1jzu   1   
        10   412    31   5    31   5   parsed_1jzu   1   
        11   508    34   7    34   7   parsed_1jzu   1   
        12   508    38   5    38   5   parsed_1jzu   1   
        13   508    41   5    41   5   parsed_1jzu   1   
        14   510    44   7    44   7   parsed_1jzu   1   
        15   510    48   5    48   5   parsed_1jzu   1   
        16   511    51   7    51   7   parsed_1jzu   1   
        17   511    55   5    55   5   parsed_1jzu   1   
        18   511    58   5    58   5   parsed_1jzu   1   
        19   528    61   7    61   7   parsed_1jzu   1   
        20   528    65   5    65   5   parsed_1jzu   1   
        21   532    68   7    68   7   parsed_1jzu   1   
        22   532    72   5    72   5   parsed_1jzu   1   
        23   542    75   7    75   7   parsed_1jzu   1   
        24   542    79   5    79   5   parsed_1jzu   1   
        25   547    82   7    82   7   parsed_1jzu   1   
        26   547    86   5    86   5   parsed_1jzu   1   
        27   604    89   7    89   7   parsed_1jzu   1   
        28   604    93   5    93   5   parsed_1jzu   1   
        29   606    96   7    96   7   parsed_1jzu   1   
        30   606   100   5   100   5   parsed_1jzu   1   
        31   609   103   7   103   7   parsed_1jzu   1   
        32   609   107   5   107   5   parsed_1jzu   1   
        33   622   110   7   110   7   parsed_1jzu   1   
        34   622   114   5   114   5   parsed_1jzu   1   
        35   623   117   7   117   7   parsed_1jzu   1   
        36   623   121   5   121   5   parsed_1jzu   1   
        37   624   124   7   124   7   parsed_1jzu   1   
        38   624   128   5   128   5   parsed_1jzu   1   
        39   649   131   7   131   7   parsed_1jzu   1   
        40   649   135   5   135   5   parsed_1jzu   1   
        41   649   138   5   138   5   parsed_1jzu   1   
        42   699   141   7   141   7   parsed_1jzu   1   
        43   699   145   5   145   5   parsed_1jzu   1   
        44   702   148   7   148   7   parsed_1jzu   1   
        45   702   152   5   152   5   parsed_1jzu   1   
        46   711   155   7   155   7   parsed_1jzu   1   
        47   711   159   5   159   5   parsed_1jzu   1   
        48   711   162   5   162   5   parsed_1jzu   1   
        49   713   165   7   165   7   parsed_1jzu   1   
        50   713   169   5   169   5   parsed_1jzu   1   
        51   713   172   5   172   5   parsed_1jzu   1   
        52   714   175   7   175   7   parsed_1jzu   1   
        53   714   179   5   179   5   parsed_1jzu   1   
        54   714   182   5   182   5   parsed_1jzu   1   
        55   716   185   7   185   7   parsed_1jzu   1   
        56   716   189   5   189   5   parsed_1jzu   1   
        57   716   192   5   192   5   parsed_1jzu   1   
        58   730   195   7   195   7   parsed_1jzu   1   
        59   730   199   5   199   5   parsed_1jzu   1   
        60   730   202   5   202   5   parsed_1jzu   1   
        61   758   205   7   205   7   parsed_1jzu   1   
        62   758   209   5   209   5   parsed_1jzu   1   
        63   760   212   7   212   7   parsed_1jzu   1   
        64   760   216   5   216   5   parsed_1jzu   1   
        65   760   219   5   219   5   parsed_1jzu   1   
        66   761   222   7   222   7   parsed_1jzu   1   
        67   761   226   5   226   5   parsed_1jzu   1   
        68   771   229   7   229   7   parsed_1jzu   1   
        69   771   233   5   233   5   parsed_1jzu   1   
        70   771   236   5   236   5   parsed_1jzu   1   
        71   825   239   7   239   7   parsed_1jzu   1   
        72   825   243   5   243   5   parsed_1jzu   1   
        73   825   246   5   246   5   parsed_1jzu   1   
        74   826   249   7   249   7   parsed_1jzu   1   
        75   826   253   5   253   5   parsed_1jzu   1   
        76   826   256   5   256   5   parsed_1jzu   1   
        77   827   259   7   259   7   parsed_1jzu   1   
        78   827   263   5   263   5   parsed_1jzu   1   
        79   827   266   5   266   5   parsed_1jzu   1   
        80   882   269   7   269   7   parsed_1jzu   1   
        81   882   273   5   273   5   parsed_1jzu   1   
        82   882   276   5   276   5   parsed_1jzu   1   
        83   882   279   5   279   5   parsed_1jzu   1   
        84   914   282   7   282   7   parsed_1jzu   1   
        85   914   286   5   286   5   parsed_1jzu   1   
        86   914   289   5   289   5   parsed_1jzu   1   
    stop_

save_





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