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
32911 1hej 4900 cing recoord 2-parsed STAR distance NOE ambi 70


data_1hej_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1hej 
    _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_1hej   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1hej 
    _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   1hej   "Master copy"    parsed_1hej   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1hej 
    _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   1hej.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1hej   1   
        1   1hej.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1hej   1   
        1   1hej.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple             813   parsed_1hej   1   
        1   1hej.mr   .   .    XPLOR/CNS      4    distance                  NOE                 ambi                70   parsed_1hej   1   
        1   1hej.mr   .   .    n/a            5    comment                  "Not applicable"    "Not applicable"      0   parsed_1hej   1   
        1   1hej.mr   .   .    XPLOR/CNS      6    distance                 "hydrogen bond"      simple               0   parsed_1hej   1   
        1   1hej.mr   .   .    n/a            7    comment                  "Not applicable"    "Not applicable"      0   parsed_1hej   1   
        1   1hej.mr   .   .    XPLOR/CNS      8   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1hej   1   
        1   1hej.mr   .   .    n/a            9    comment                  "Not applicable"    "Not applicable"      0   parsed_1hej   1   
        1   1hej.mr   .   .    XPLOR/CNS     10   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1hej   1   
        1   1hej.mr   .   .    n/a           11    comment                  "Not applicable"    "Not applicable"      0   parsed_1hej   1   
        1   1hej.mr   .   .   "MR format"    12   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1hej   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1hej 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _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_1hej   1   
         2   1   .   .   .   parsed_1hej   1   
         3   1   .   .   .   parsed_1hej   1   
         4   1   .   .   .   parsed_1hej   1   
         5   1   .   .   .   parsed_1hej   1   
         6   1   .   .   .   parsed_1hej   1   
         7   1   .   .   .   parsed_1hej   1   
         8   1   .   .   .   parsed_1hej   1   
         9   1   .   .   .   parsed_1hej   1   
        10   1   .   .   .   parsed_1hej   1   
        11   1   .   .   .   parsed_1hej   1   
        12   1   .   .   .   parsed_1hej   1   
        13   1   .   .   .   parsed_1hej   1   
        14   1   .   .   .   parsed_1hej   1   
        15   1   .   .   .   parsed_1hej   1   
        16   1   .   .   .   parsed_1hej   1   
        17   1   .   .   .   parsed_1hej   1   
        18   1   .   .   .   parsed_1hej   1   
        19   1   .   .   .   parsed_1hej   1   
        20   1   .   .   .   parsed_1hej   1   
        21   1   .   .   .   parsed_1hej   1   
        22   1   .   .   .   parsed_1hej   1   
        23   1   .   .   .   parsed_1hej   1   
        24   1   .   .   .   parsed_1hej   1   
        25   1   .   .   .   parsed_1hej   1   
        26   1   .   .   .   parsed_1hej   1   
        27   1   .   .   .   parsed_1hej   1   
        28   1   .   .   .   parsed_1hej   1   
        29   1   .   .   .   parsed_1hej   1   
        30   1   .   .   .   parsed_1hej   1   
        31   1   .   .   .   parsed_1hej   1   
        32   1   .   .   .   parsed_1hej   1   
        33   1   .   .   .   parsed_1hej   1   
        34   1   .   .   .   parsed_1hej   1   
        35   1   .   .   .   parsed_1hej   1   
        36   1   .   .   .   parsed_1hej   1   
        37   1   .   .   .   parsed_1hej   1   
        38   1   .   .   .   parsed_1hej   1   
        39   1   .   .   .   parsed_1hej   1   
        40   1   .   .   .   parsed_1hej   1   
        41   1   .   .   .   parsed_1hej   1   
        42   1   .   .   .   parsed_1hej   1   
        43   1   .   .   .   parsed_1hej   1   
        44   1   .   .   .   parsed_1hej   1   
        45   1   .   .   .   parsed_1hej   1   
        46   1   .   .   .   parsed_1hej   1   
        47   1   .   .   .   parsed_1hej   1   
        48   1   .   .   .   parsed_1hej   1   
        49   1   .   .   .   parsed_1hej   1   
        50   1   .   .   .   parsed_1hej   1   
        51   1   .   .   .   parsed_1hej   1   
        52   1   .   .   .   parsed_1hej   1   
        53   1   .   .   .   parsed_1hej   1   
        54   1   .   .   .   parsed_1hej   1   
        55   1   .   .   .   parsed_1hej   1   
        56   1   .   .   .   parsed_1hej   1   
        57   1   .   .   .   parsed_1hej   1   
        58   1   .   .   .   parsed_1hej   1   
        59   1   .   .   .   parsed_1hej   1   
        60   1   .   .   .   parsed_1hej   1   
        61   1   .   .   .   parsed_1hej   1   
        62   1   .   .   .   parsed_1hej   1   
        63   1   .   .   .   parsed_1hej   1   
        64   1   .   .   .   parsed_1hej   1   
        65   1   .   .   .   parsed_1hej   1   
        66   1   .   .   .   parsed_1hej   1   
        67   1   .   .   .   parsed_1hej   1   
        68   1   .   .   .   parsed_1hej   1   
        69   1   .   .   .   parsed_1hej   1   
        70   1   .   .   .   parsed_1hej   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   .   .   .   .   .   .   .   .   .   586   .   he1    parsed_1hej   1   
         1   1   2   .   .   .   .   .   .   .   .   .   586   .   hd1    parsed_1hej   1   
         1   1   2   .   .   .   .   .   .   .   .   .   622   .   hd2+   parsed_1hej   1   
         2   1   1   .   .   .   .   .   .   .   .   .   606   .   hn     parsed_1hej   1   
         2   1   2   .   .   .   .   .   .   .   .   .   606   .   hb+    parsed_1hej   1   
         2   1   2   .   .   .   .   .   .   .   .   .   606   .   hg     parsed_1hej   1   
         3   1   1   .   .   .   .   .   .   .   .   .   570   .   he1    parsed_1hej   1   
         3   1   2   .   .   .   .   .   .   .   .   .   570   .   hd1    parsed_1hej   1   
         3   1   2   .   .   .   .   .   .   .   .   .   570   .   hz2    parsed_1hej   1   
         4   1   1   .   .   .   .   .   .   .   .   .   590   .   hn     parsed_1hej   1   
         4   1   2   .   .   .   .   .   .   .   .   .   588   .   hg++   parsed_1hej   1   
         4   1   2   .   .   .   .   .   .   .   .   .   613   .   hg1+   parsed_1hej   1   
         5   1   1   .   .   .   .   .   .   .   .   .   592   .   hn     parsed_1hej   1   
         5   1   2   .   .   .   .   .   .   .   .   .   591   .   hn     parsed_1hej   1   
         5   1   2   .   .   .   .   .   .   .   .   .   613   .   hn     parsed_1hej   1   
         6   1   1   .   .   .   .   .   .   .   .   .   612   .   hn     parsed_1hej   1   
         6   1   2   .   .   .   .   .   .   .   .   .   598   .   hg1+   parsed_1hej   1   
         6   1   2   .   .   .   .   .   .   .   .   .   613   .   hg2+   parsed_1hej   1   
         7   1   1   .   .   .   .   .   .   .   .   .   560   .   hb+    parsed_1hej   1   
         7   1   2   .   .   .   .   .   .   .   .   .   581   .   hn     parsed_1hej   1   
         7   1   2   .   .   .   .   .   .   .   .   .   641   .   hn     parsed_1hej   1   
         8   1   1   .   .   .   .   .   .   .   .   .   581   .   hn     parsed_1hej   1   
         8   1   1   .   .   .   .   .   .   .   .   .   641   .   hn     parsed_1hej   1   
         8   1   2   .   .   .   .   .   .   .   .   .   580   .   hb     parsed_1hej   1   
         8   1   2   .   .   .   .   .   .   .   .   .   640   .   hg2+   parsed_1hej   1   
         9   1   1   .   .   .   .   .   .   .   .   .   598   .   hn     parsed_1hej   1   
         9   1   2   .   .   .   .   .   .   .   .   .   609   .   ha     parsed_1hej   1   
         9   1   2   .   .   .   .   .   .   .   .   .   610   .   ha     parsed_1hej   1   
        10   1   1   .   .   .   .   .   .   .   .   .   616   .   hn     parsed_1hej   1   
        10   1   2   .   .   .   .   .   .   .   .   .   605   .   ha     parsed_1hej   1   
        10   1   2   .   .   .   .   .   .   .   .   .   616   .   ha     parsed_1hej   1   
        11   1   1   .   .   .   .   .   .   .   .   .   629   .   hn     parsed_1hej   1   
        11   1   2   .   .   .   .   .   .   .   .   .   596   .   ha     parsed_1hej   1   
        11   1   2   .   .   .   .   .   .   .   .   .   630   .   ha     parsed_1hej   1   
        12   1   1   .   .   .   .   .   .   .   .   .   576   .   hn     parsed_1hej   1   
        12   1   2   .   .   .   .   .   .   .   .   .   574   .   hd+    parsed_1hej   1   
        12   1   2   .   .   .   .   .   .   .   .   .   574   .   he+    parsed_1hej   1   
        13   1   1   .   .   .   .   .   .   .   .   .   630   .   hn     parsed_1hej   1   
        13   1   2   .   .   .   .   .   .   .   .   .   630   .   hb+    parsed_1hej   1   
        13   1   2   .   .   .   .   .   .   .   .   .   630   .   hd+    parsed_1hej   1   
        14   1   1   .   .   .   .   .   .   .   .   .   575   .   hn     parsed_1hej   1   
        14   1   2   .   .   .   .   .   .   .   .   .   569   .   hn     parsed_1hej   1   
        14   1   2   .   .   .   .   .   .   .   .   .   575   .   hd2+   parsed_1hej   1   
        15   1   1   .   .   .   .   .   .   .   .   .   569   .   hn     parsed_1hej   1   
        15   1   2   .   .   .   .   .   .   .   .   .   568   .   hg+    parsed_1hej   1   
        15   1   2   .   .   .   .   .   .   .   .   .   569   .   hb+    parsed_1hej   1   
        16   1   1   .   .   .   .   .   .   .   .   .   607   .   hn     parsed_1hej   1   
        16   1   2   .   .   .   .   .   .   .   .   .   608   .   ha+    parsed_1hej   1   
        16   1   2   .   .   .   .   .   .   .   .   .   614   .   hb     parsed_1hej   1   
        17   1   1   .   .   .   .   .   .   .   .   .   607   .   hn     parsed_1hej   1   
        17   1   2   .   .   .   .   .   .   .   .   .   606   .   hb+    parsed_1hej   1   
        17   1   2   .   .   .   .   .   .   .   .   .   606   .   hg     parsed_1hej   1   
        18   1   1   .   .   .   .   .   .   .   .   .   584   .   hn     parsed_1hej   1   
        18   1   2   .   .   .   .   .   .   .   .   .   582   .   ha+    parsed_1hej   1   
        18   1   2   .   .   .   .   .   .   .   .   .   583   .   ha     parsed_1hej   1   
        19   1   1   .   .   .   .   .   .   .   .   .   584   .   hn     parsed_1hej   1   
        19   1   2   .   .   .   .   .   .   .   .   .   583   .   hb+    parsed_1hej   1   
        19   1   2   .   .   .   .   .   .   .   .   .   584   .   hb+    parsed_1hej   1   
        20   1   1   .   .   .   .   .   .   .   .   .   593   .   hn     parsed_1hej   1   
        20   1   2   .   .   .   .   .   .   .   .   .   592   .   hb1    parsed_1hej   1   
        20   1   2   .   .   .   .   .   .   .   .   .   637   .   hb+    parsed_1hej   1   
        21   1   1   .   .   .   .   .   .   .   .   .   587   .   hn     parsed_1hej   1   
        21   1   2   .   .   .   .   .   .   .   .   .   587   .   hb     parsed_1hej   1   
        21   1   2   .   .   .   .   .   .   .   .   .   588   .   hb     parsed_1hej   1   
        22   1   1   .   .   .   .   .   .   .   .   .   614   .   hn     parsed_1hej   1   
        22   1   2   .   .   .   .   .   .   .   .   .   606   .   hb+    parsed_1hej   1   
        22   1   2   .   .   .   .   .   .   .   .   .   606   .   hg     parsed_1hej   1   
        23   1   1   .   .   .   .   .   .   .   .   .   560   .   hn     parsed_1hej   1   
        23   1   2   .   .   .   .   .   .   .   .   .   561   .   ha     parsed_1hej   1   
        23   1   2   .   .   .   .   .   .   .   .   .   642   .   ha     parsed_1hej   1   
        24   1   1   .   .   .   .   .   .   .   .   .   633   .   hn     parsed_1hej   1   
        24   1   2   .   .   .   .   .   .   .   .   .   630   .   hb+    parsed_1hej   1   
        24   1   2   .   .   .   .   .   .   .   .   .   630   .   hd+    parsed_1hej   1   
        25   1   1   .   .   .   .   .   .   .   .   .   574   .   hn     parsed_1hej   1   
        25   1   2   .   .   .   .   .   .   .   .   .   573   .   hd+    parsed_1hej   1   
        25   1   2   .   .   .   .   .   .   .   .   .   628   .   hb1    parsed_1hej   1   
        26   1   1   .   .   .   .   .   .   .   .   .   574   .   hn     parsed_1hej   1   
        26   1   2   .   .   .   .   .   .   .   .   .   573   .   hg+    parsed_1hej   1   
        26   1   2   .   .   .   .   .   .   .   .   .   628   .   hb2    parsed_1hej   1   
        27   1   1   .   .   .   .   .   .   .   .   .   610   .   hn     parsed_1hej   1   
        27   1   2   .   .   .   .   .   .   .   .   .   598   .   hg1+   parsed_1hej   1   
        27   1   2   .   .   .   .   .   .   .   .   .   613   .   hg2+   parsed_1hej   1   
        28   1   1   .   .   .   .   .   .   .   .   .   561   .   hn     parsed_1hej   1   
        28   1   2   .   .   .   .   .   .   .   .   .   560   .   hn     parsed_1hej   1   
        28   1   2   .   .   .   .   .   .   .   .   .   582   .   hn     parsed_1hej   1   
        29   1   1   .   .   .   .   .   .   .   .   .   567   .   hn     parsed_1hej   1   
        29   1   2   .   .   .   .   .   .   .   .   .   565   .   hb     parsed_1hej   1   
        29   1   2   .   .   .   .   .   .   .   .   .   566   .   hg+    parsed_1hej   1   
        30   1   1   .   .   .   .   .   .   .   .   .   631   .   hn     parsed_1hej   1   
        30   1   2   .   .   .   .   .   .   .   .   .   630   .   hb+    parsed_1hej   1   
        30   1   2   .   .   .   .   .   .   .   .   .   630   .   hd+    parsed_1hej   1   
        31   1   1   .   .   .   .   .   .   .   .   .   604   .   hn     parsed_1hej   1   
        31   1   2   .   .   .   .   .   .   .   .   .   601   .   hb+    parsed_1hej   1   
        31   1   2   .   .   .   .   .   .   .   .   .   603   .   hb+    parsed_1hej   1   
        32   1   1   .   .   .   .   .   .   .   .   .   640   .   hn     parsed_1hej   1   
        32   1   2   .   .   .   .   .   .   .   .   .   562   .   hg++   parsed_1hej   1   
        32   1   2   .   .   .   .   .   .   .   .   .   588   .   hg++   parsed_1hej   1   
        33   1   1   .   .   .   .   .   .   .   .   .   582   .   hn     parsed_1hej   1   
        33   1   2   .   .   .   .   .   .   .   .   .   581   .   hb+    parsed_1hej   1   
        33   1   2   .   .   .   .   .   .   .   .   .   582   .   ha+    parsed_1hej   1   
        34   1   1   .   .   .   .   .   .   .   .   .   591   .   hn     parsed_1hej   1   
        34   1   2   .   .   .   .   .   .   .   .   .   589   .   hb     parsed_1hej   1   
        34   1   2   .   .   .   .   .   .   .   .   .   592   .   ha     parsed_1hej   1   
        35   1   1   .   .   .   .   .   .   .   .   .   600   .   hn     parsed_1hej   1   
        35   1   2   .   .   .   .   .   .   .   .   .   598   .   ha     parsed_1hej   1   
        35   1   2   .   .   .   .   .   .   .   .   .   601   .   hb+    parsed_1hej   1   
        36   1   1   .   .   .   .   .   .   .   .   .   600   .   hn     parsed_1hej   1   
        36   1   2   .   .   .   .   .   .   .   .   .   598   .   hg2+   parsed_1hej   1   
        36   1   2   .   .   .   .   .   .   .   .   .   627   .   hg2+   parsed_1hej   1   
        37   1   1   .   .   .   .   .   .   .   .   .   596   .   he2+   parsed_1hej   1   
        37   1   2   .   .   .   .   .   .   .   .   .   592   .   ha     parsed_1hej   1   
        37   1   2   .   .   .   .   .   .   .   .   .   633   .   hb+    parsed_1hej   1   
        38   1   1   .   .   .   .   .   .   .   .   .   625   .   hn     parsed_1hej   1   
        38   1   2   .   .   .   .   .   .   .   .   .   601   .   hb+    parsed_1hej   1   
        38   1   2   .   .   .   .   .   .   .   .   .   603   .   hb+    parsed_1hej   1   
        39   1   1   .   .   .   .   .   .   .   .   .   625   .   hn     parsed_1hej   1   
        39   1   2   .   .   .   .   .   .   .   .   .   604   .   hb+    parsed_1hej   1   
        39   1   2   .   .   .   .   .   .   .   .   .   626   .   hg++   parsed_1hej   1   
        40   1   1   .   .   .   .   .   .   .   .   .   628   .   hn     parsed_1hej   1   
        40   1   2   .   .   .   .   .   .   .   .   .   573   .   hd+    parsed_1hej   1   
        40   1   2   .   .   .   .   .   .   .   .   .   628   .   hb1    parsed_1hej   1   
        41   1   1   .   .   .   .   .   .   .   .   .   579   .   hn     parsed_1hej   1   
        41   1   2   .   .   .   .   .   .   .   .   .   565   .   hg2+   parsed_1hej   1   
        41   1   2   .   .   .   .   .   .   .   .   .   578   .   hb2    parsed_1hej   1   
        42   1   1   .   .   .   .   .   .   .   .   .   636   .   hn     parsed_1hej   1   
        42   1   2   .   .   .   .   .   .   .   .   .   636   .   ha     parsed_1hej   1   
        42   1   2   .   .   .   .   .   .   .   .   .   636   .   hb     parsed_1hej   1   
        43   1   1   .   .   .   .   .   .   .   .   .   630   .   hn     parsed_1hej   1   
        43   1   2   .   .   .   .   .   .   .   .   .   574   .   hd+    parsed_1hej   1   
        43   1   2   .   .   .   .   .   .   .   .   .   574   .   he+    parsed_1hej   1   
        44   1   1   .   .   .   .   .   .   .   .   .   632   .   hn     parsed_1hej   1   
        44   1   2   .   .   .   .   .   .   .   .   .   630   .   hb+    parsed_1hej   1   
        44   1   2   .   .   .   .   .   .   .   .   .   630   .   hd+    parsed_1hej   1   
        45   1   1   .   .   .   .   .   .   .   .   .   641   .   hb2    parsed_1hej   1   
        45   1   2   .   .   .   .   .   .   .   .   .   561   .   hn     parsed_1hej   1   
        45   1   2   .   .   .   .   .   .   .   .   .   562   .   hn     parsed_1hej   1   
        46   1   1   .   .   .   .   .   .   .   .   .   633   .   hn     parsed_1hej   1   
        46   1   2   .   .   .   .   .   .   .   .   .   632   .   ha+    parsed_1hej   1   
        46   1   2   .   .   .   .   .   .   .   .   .   633   .   hb+    parsed_1hej   1   
        47   1   1   .   .   .   .   .   .   .   .   .   628   .   hz     parsed_1hej   1   
        47   1   2   .   .   .   .   .   .   .   .   .   626   .   hg++   parsed_1hej   1   
        47   1   2   .   .   .   .   .   .   .   .   .   637   .   hg++   parsed_1hej   1   
        48   1   1   .   .   .   .   .   .   .   .   .   628   .   he+    parsed_1hej   1   
        48   1   2   .   .   .   .   .   .   .   .   .   626   .   hg++   parsed_1hej   1   
        48   1   2   .   .   .   .   .   .   .   .   .   637   .   hg++   parsed_1hej   1   
        49   1   1   .   .   .   .   .   .   .   .   .   628   .   hd+    parsed_1hej   1   
        49   1   2   .   .   .   .   .   .   .   .   .   626   .   hg++   parsed_1hej   1   
        49   1   2   .   .   .   .   .   .   .   .   .   637   .   hg++   parsed_1hej   1   
        50   1   1   .   .   .   .   .   .   .   .   .   610   .   hn     parsed_1hej   1   
        50   1   2   .   .   .   .   .   .   .   .   .   609   .   ha     parsed_1hej   1   
        50   1   2   .   .   .   .   .   .   .   .   .   610   .   ha     parsed_1hej   1   
        51   1   1   .   .   .   .   .   .   .   .   .   588   .   hn     parsed_1hej   1   
        51   1   2   .   .   .   .   .   .   .   .   .   587   .   hb     parsed_1hej   1   
        51   1   2   .   .   .   .   .   .   .   .   .   588   .   hb     parsed_1hej   1   
        52   1   1   .   .   .   .   .   .   .   .   .   583   .   hn     parsed_1hej   1   
        52   1   2   .   .   .   .   .   .   .   .   .   582   .   ha+    parsed_1hej   1   
        52   1   2   .   .   .   .   .   .   .   .   .   583   .   ha     parsed_1hej   1   
        53   1   1   .   .   .   .   .   .   .   .   .   628   .   he+    parsed_1hej   1   
        53   1   2   .   .   .   .   .   .   .   .   .   598   .   hg1+   parsed_1hej   1   
        53   1   2   .   .   .   .   .   .   .   .   .   613   .   hg2+   parsed_1hej   1   
        54   1   1   .   .   .   .   .   .   .   .   .   628   .   he+    parsed_1hej   1   
        54   1   2   .   .   .   .   .   .   .   .   .   613   .   hg1+   parsed_1hej   1   
        54   1   2   .   .   .   .   .   .   .   .   .   626   .   hg++   parsed_1hej   1   
        55   1   1   .   .   .   .   .   .   .   .   .   606   .   hd++   parsed_1hej   1   
        55   1   2   .   .   .   .   .   .   .   .   .   606   .   hb+    parsed_1hej   1   
        55   1   2   .   .   .   .   .   .   .   .   .   606   .   hg     parsed_1hej   1   
        56   1   1   .   .   .   .   .   .   .   .   .   577   .   hg2+   parsed_1hej   1   
        56   1   2   .   .   .   .   .   .   .   .   .   579   .   hb1    parsed_1hej   1   
        56   1   2   .   .   .   .   .   .   .   .   .   623   .   hb+    parsed_1hej   1   
        57   1   1   .   .   .   .   .   .   .   .   .   639   .   hb+    parsed_1hej   1   
        57   1   2   .   .   .   .   .   .   .   .   .   562   .   hg++   parsed_1hej   1   
        57   1   2   .   .   .   .   .   .   .   .   .   588   .   hg++   parsed_1hej   1   
        58   1   1   .   .   .   .   .   .   .   .   .   641   .   ha     parsed_1hej   1   
        58   1   2   .   .   .   .   .   .   .   .   .   562   .   hg++   parsed_1hej   1   
        58   1   2   .   .   .   .   .   .   .   .   .   588   .   hg++   parsed_1hej   1   
        59   1   1   .   .   .   .   .   .   .   .   .   640   .   ha     parsed_1hej   1   
        59   1   2   .   .   .   .   .   .   .   .   .   562   .   hg++   parsed_1hej   1   
        59   1   2   .   .   .   .   .   .   .   .   .   588   .   hg++   parsed_1hej   1   
        60   1   1   .   .   .   .   .   .   .   .   .   564   .   ha     parsed_1hej   1   
        60   1   2   .   .   .   .   .   .   .   .   .   565   .   hg2+   parsed_1hej   1   
        60   1   2   .   .   .   .   .   .   .   .   .   578   .   hb2    parsed_1hej   1   
        61   1   1   .   .   .   .   .   .   .   .   .   578   .   hb2    parsed_1hej   1   
        61   1   2   .   .   .   .   .   .   .   .   .   578   .   hd+    parsed_1hej   1   
        61   1   2   .   .   .   .   .   .   .   .   .   624   .   hz     parsed_1hej   1   
        62   1   1   .   .   .   .   .   .   .   .   .   630   .   ha     parsed_1hej   1   
        62   1   2   .   .   .   .   .   .   .   .   .   630   .   hb+    parsed_1hej   1   
        62   1   2   .   .   .   .   .   .   .   .   .   630   .   hd+    parsed_1hej   1   
        63   1   1   .   .   .   .   .   .   .   .   .   606   .   hd++   parsed_1hej   1   
        63   1   2   .   .   .   .   .   .   .   .   .   601   .   hb+    parsed_1hej   1   
        63   1   2   .   .   .   .   .   .   .   .   .   608   .   ha+    parsed_1hej   1   
        64   1   1   .   .   .   .   .   .   .   .   .   570   .   hh2    parsed_1hej   1   
        64   1   1   .   .   .   .   .   .   .   .   .   574   .   he+    parsed_1hej   1   
        64   1   2   .   .   .   .   .   .   .   .   .   568   .   hb2    parsed_1hej   1   
        64   1   2   .   .   .   .   .   .   .   .   .   637   .   hg+    parsed_1hej   1   
        65   1   1   .   .   .   .   .   .   .   .   .   560   .   hb+    parsed_1hej   1   
        65   1   1   .   .   .   .   .   .   .   .   .   596   .   hg2    parsed_1hej   1   
        65   1   2   .   .   .   .   .   .   .   .   .   587   .   hg++   parsed_1hej   1   
        65   1   2   .   .   .   .   .   .   .   .   .   592   .   hd++   parsed_1hej   1   
        66   1   1   .   .   .   .   .   .   .   .   .   565   .   hg1+   parsed_1hej   1   
        66   1   1   .   .   .   .   .   .   .   .   .   587   .   hg++   parsed_1hej   1   
        66   1   2   .   .   .   .   .   .   .   .   .   578   .   ha     parsed_1hej   1   
        66   1   2   .   .   .   .   .   .   .   .   .   586   .   ha     parsed_1hej   1   
        67   1   1   .   .   .   .   .   .   .   .   .   627   .   ha     parsed_1hej   1   
        67   1   1   .   .   .   .   .   .   .   .   .   641   .   ha     parsed_1hej   1   
        67   1   2   .   .   .   .   .   .   .   .   .   575   .   hb2    parsed_1hej   1   
        67   1   2   .   .   .   .   .   .   .   .   .   641   .   hb2    parsed_1hej   1   
        68   1   1   .   .   .   .   .   .   .   .   .   586   .   hb+    parsed_1hej   1   
        68   1   1   .   .   .   .   .   .   .   .   .   602   .   hb1    parsed_1hej   1   
        68   1   2   .   .   .   .   .   .   .   .   .   586   .   ha     parsed_1hej   1   
        68   1   2   .   .   .   .   .   .   .   .   .   601   .   ha     parsed_1hej   1   
        69   1   1   .   .   .   .   .   .   .   .   .   607   .   hb     parsed_1hej   1   
        69   1   1   .   .   .   .   .   .   .   .   .   635   .   ha     parsed_1hej   1   
        69   1   2   .   .   .   .   .   .   .   .   .   607   .   hg2+   parsed_1hej   1   
        69   1   2   .   .   .   .   .   .   .   .   .   635   .   hb+    parsed_1hej   1   
        70   1   1   .   .   .   .   .   .   .   .   .   558   .   ha1    parsed_1hej   1   
        70   1   1   .   .   .   .   .   .   .   .   .   638   .   ha+    parsed_1hej   1   
        70   1   2   .   .   .   .   .   .   .   .   .   639   .   hb+    parsed_1hej   1   
        70   1   2   .   .   .   .   .   .   .   .   .   643   .   hg2+   parsed_1hej   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   .   .   .   .   .   2.50   1.90   2.50   parsed_1hej   1   
         2   1   .   .   .   .   .   2.50   1.90   2.50   parsed_1hej   1   
         3   1   .   .   .   .   .   2.50   1.90   2.50   parsed_1hej   1   
         4   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
         5   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
         6   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
         7   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
         8   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
         9   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        10   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        11   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        12   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        13   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        14   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        15   1   .   .   .   .   .   3.04   1.90   3.04   parsed_1hej   1   
        16   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        17   1   .   .   .   .   .   2.75   1.90   2.75   parsed_1hej   1   
        18   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        19   1   .   .   .   .   .   4.51   1.90   4.51   parsed_1hej   1   
        20   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
        21   1   .   .   .   .   .   3.04   1.90   3.04   parsed_1hej   1   
        22   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        23   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        24   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        25   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        26   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
        27   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
        28   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        29   1   .   .   .   .   .   3.04   1.90   3.04   parsed_1hej   1   
        30   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
        31   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        32   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
        33   1   .   .   .   .   .   3.04   1.90   3.04   parsed_1hej   1   
        34   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        35   1   .   .   .   .   .   4.51   1.90   4.51   parsed_1hej   1   
        36   1   .   .   .   .   .   4.51   1.90   4.51   parsed_1hej   1   
        37   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        38   1   .   .   .   .   .   4.51   1.90   4.51   parsed_1hej   1   
        39   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        40   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        41   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        42   1   .   .   .   .   .   2.50   1.90   2.50   parsed_1hej   1   
        43   1   .   .   .   .   .   6.00   2.40   6.00   parsed_1hej   1   
        44   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        45   1   .   .   .   .   .   4.97   1.90   4.97   parsed_1hej   1   
        46   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        47   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
        48   1   .   .   .   .   .   3.04   1.90   3.04   parsed_1hej   1   
        49   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        50   1   .   .   .   .   .   3.04   1.90   3.04   parsed_1hej   1   
        51   1   .   .   .   .   .   3.04   1.90   3.04   parsed_1hej   1   
        52   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        53   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        54   1   .   .   .   .   .   4.97   1.90   4.97   parsed_1hej   1   
        55   1   .   .   .   .   .   2.50   1.90   2.50   parsed_1hej   1   
        56   1   .   .   .   .   .   4.08   1.90   4.08   parsed_1hej   1   
        57   1   .   .   .   .   .   2.50   1.90   2.50   parsed_1hej   1   
        58   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
        59   1   .   .   .   .   .   3.35   1.90   3.35   parsed_1hej   1   
        60   1   .   .   .   .   .   4.97   1.90   4.97   parsed_1hej   1   
        61   1   .   .   .   .   .   2.75   1.90   2.75   parsed_1hej   1   
        62   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        63   1   .   .   .   .   .   4.51   1.90   4.51   parsed_1hej   1   
        64   1   .   .   .   .   .   4.08   1.90   4.08   parsed_1hej   1   
        65   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        66   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   1   
        67   1   .   .   .   .   .   5.50   1.90   5.50   parsed_1hej   1   
        68   1   .   .   .   .   .   3.04   1.90   3.04   parsed_1hej   1   
        69   1   .   .   .   .   .   2.50   1.90   2.50   parsed_1hej   1   
        70   1   .   .   .   .   .   3.70   1.90   3.70   parsed_1hej   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   
;
AMBIGUOUS NOES
First set, added 29 August
;
       1    1     2   29   parsed_1hej   1   
         2    10     4   87     4   91   parsed_1hej   1   
         3    11     7   87     7   91   parsed_1hej   1   
         4    12    10   87    10   91   parsed_1hej   1   
         5     4    13   87    13   90   parsed_1hej   1   
         6     4    16   87    16   90   parsed_1hej   1   
         7     2    19   87    19   90   parsed_1hej   1   
         8     3    22   87    22   90   parsed_1hej   1   
         9     7    25   87    25   90   parsed_1hej   1   
        10     6    28   87    28   90   parsed_1hej   1   
        11     6    31   87    31   90   parsed_1hej   1   
        12     1    34   87    34   90   parsed_1hej   1   
        13     1    37   87    37   90   parsed_1hej   1   
        14     6    40   87    40   90   parsed_1hej   1   
        15     1    43   87    43   90   parsed_1hej   1   
        16     8    46   87    46   90   parsed_1hej   1   
        17     3    49   87    49   90   parsed_1hej   1   
        18     9    52   87    52   90   parsed_1hej   1   
        19     6    55   87    55   90   parsed_1hej   1   
        20     5    58   87    58   90   parsed_1hej   1   
        21     7    61   87    61   90   parsed_1hej   1   
        22     8    64   87    64   90   parsed_1hej   1   
        23     3    67   87    67   90   parsed_1hej   1   
        24     3    70   87    70   90   parsed_1hej   1   
        25     4    73   87    73   90   parsed_1hej   1   
        26     2    76   87    76   90   parsed_1hej   1   
        27     7    79   87    79   90   parsed_1hej   1   
        28     7    82   87    82   90   parsed_1hej   1   
        29     4    85   87    85   90   parsed_1hej   1   
        30     8    88   87    88   90   parsed_1hej   1   
        31     7    91   87    91   90   parsed_1hej   1   
        32     3    94   87    94   90   parsed_1hej   1   
        33     7    97   87    97   90   parsed_1hej   1   
        34     8   100   87   100   90   parsed_1hej   1   
        35     1   103   87   103   90   parsed_1hej   1   
        36     5   106   87   106   90   parsed_1hej   1   
        37     5   109   87   109   90   parsed_1hej   1   
        38     1   112   87   112   90   parsed_1hej   1   
        39     5   115   87   115   90   parsed_1hej   1   
        40     4   118   87   118   90   parsed_1hej   1   
        41     4   121   87   121   90   parsed_1hej   1   
        42     4   124   87   124   90   parsed_1hej   1   
        43    10   127   87   127   91   parsed_1hej   1   
        44   
;
1

Second set of ambiguous NOEs, added 7 Sept
;
     130   87   132   45   parsed_1hej   1   
        45     2   134   87   134   90   parsed_1hej   1   
        46     3   137   87   137   90   parsed_1hej   1   
        47     6   140   87   140   90   parsed_1hej   1   
        48     7   143   87   143   90   parsed_1hej   1   
        49     8   146   87   146   90   parsed_1hej   1   
        50     6   149   87   149   90   parsed_1hej   1   
        51     8   152   87   152   90   parsed_1hej   1   
        52     8   155   87   155   90   parsed_1hej   1   
        53     6   158   87   158   90   parsed_1hej   1   
        54     2   161   87   161   90   parsed_1hej   1   
        55     3   164   87   164   90   parsed_1hej   1   
        56    10   167   87   167   91   parsed_1hej   1   
        57     5   170   87   170   90   parsed_1hej   1   
        58    10   173   87   173   91   parsed_1hej   1   
        59     7   176   87   176   90   parsed_1hej   1   
        60     7   179   87   179   90   parsed_1hej   1   
        61     3   182   87   182   90   parsed_1hej   1   
        62     9   185   87   185   90   parsed_1hej   1   
        63     6   188   87   188   90   parsed_1hej   1   
        64     4   191   87   191   90   parsed_1hej   1   
        65     5   194   87   194   90   parsed_1hej   1   
        66     2   197   87   197   90   parsed_1hej   1   
        67     6   200   87   200   90   parsed_1hej   1   
        68     2   203   87   203   90   parsed_1hej   1   
        69     8   206   87   206   90   parsed_1hej   1   
        70    10   209   87   209   91   parsed_1hej   1   
        71     6   212   87   213    2   parsed_1hej   1   
    stop_

save_





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