NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype item_count
39612 1tk7 6262 cing 2-parsed STAR distance general distance simple 105


data_1tk7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1tk7 
    _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_1tk7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1tk7 
    _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   1tk7   "Master copy"    parsed_1tk7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1tk7 
    _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   1tk7.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_1tk7   1   
        1   1tk7.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             385   parsed_1tk7   1   
        1   1tk7.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     simple             105   parsed_1tk7   1   
        1   1tk7.mr   .   .    XPLOR/CNS     4    distance                  NOE                   ambi                 0   parsed_1tk7   1   
        1   1tk7.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_1tk7   1   
        1   1tk7.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"      "Not applicable"      0   parsed_1tk7   1   
        1   1tk7.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_1tk7   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1tk7 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _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_1tk7   1   
          2   1   .   .   .   parsed_1tk7   1   
          3   1   .   .   .   parsed_1tk7   1   
          4   1   .   .   .   parsed_1tk7   1   
          5   1   .   .   .   parsed_1tk7   1   
          6   1   .   .   .   parsed_1tk7   1   
          7   1   .   .   .   parsed_1tk7   1   
          8   1   .   .   .   parsed_1tk7   1   
          9   1   .   .   .   parsed_1tk7   1   
         10   1   .   .   .   parsed_1tk7   1   
         11   1   .   .   .   parsed_1tk7   1   
         12   1   .   .   .   parsed_1tk7   1   
         13   1   .   .   .   parsed_1tk7   1   
         14   1   .   .   .   parsed_1tk7   1   
         15   1   .   .   .   parsed_1tk7   1   
         16   1   .   .   .   parsed_1tk7   1   
         17   1   .   .   .   parsed_1tk7   1   
         18   1   .   .   .   parsed_1tk7   1   
         19   1   .   .   .   parsed_1tk7   1   
         20   1   .   .   .   parsed_1tk7   1   
         21   1   .   .   .   parsed_1tk7   1   
         22   1   .   .   .   parsed_1tk7   1   
         23   1   .   .   .   parsed_1tk7   1   
         24   1   .   .   .   parsed_1tk7   1   
         25   1   .   .   .   parsed_1tk7   1   
         26   1   .   .   .   parsed_1tk7   1   
         27   1   .   .   .   parsed_1tk7   1   
         28   1   .   .   .   parsed_1tk7   1   
         29   1   .   .   .   parsed_1tk7   1   
         30   1   .   .   .   parsed_1tk7   1   
         31   1   .   .   .   parsed_1tk7   1   
         32   1   .   .   .   parsed_1tk7   1   
         33   1   .   .   .   parsed_1tk7   1   
         34   1   .   .   .   parsed_1tk7   1   
         35   1   .   .   .   parsed_1tk7   1   
         36   1   .   .   .   parsed_1tk7   1   
         37   1   .   .   .   parsed_1tk7   1   
         38   1   .   .   .   parsed_1tk7   1   
         39   1   .   .   .   parsed_1tk7   1   
         40   1   .   .   .   parsed_1tk7   1   
         41   1   .   .   .   parsed_1tk7   1   
         42   1   .   .   .   parsed_1tk7   1   
         43   1   .   .   .   parsed_1tk7   1   
         44   1   .   .   .   parsed_1tk7   1   
         45   1   .   .   .   parsed_1tk7   1   
         46   1   .   .   .   parsed_1tk7   1   
         47   1   .   .   .   parsed_1tk7   1   
         48   1   .   .   .   parsed_1tk7   1   
         49   1   .   .   .   parsed_1tk7   1   
         50   1   .   .   .   parsed_1tk7   1   
         51   1   .   .   .   parsed_1tk7   1   
         52   1   .   .   .   parsed_1tk7   1   
         53   1   .   .   .   parsed_1tk7   1   
         54   1   .   .   .   parsed_1tk7   1   
         55   1   .   .   .   parsed_1tk7   1   
         56   1   .   .   .   parsed_1tk7   1   
         57   1   .   .   .   parsed_1tk7   1   
         58   1   .   .   .   parsed_1tk7   1   
         59   1   .   .   .   parsed_1tk7   1   
         60   1   .   .   .   parsed_1tk7   1   
         61   1   .   .   .   parsed_1tk7   1   
         62   1   .   .   .   parsed_1tk7   1   
         63   1   .   .   .   parsed_1tk7   1   
         64   1   .   .   .   parsed_1tk7   1   
         65   1   .   .   .   parsed_1tk7   1   
         66   1   .   .   .   parsed_1tk7   1   
         67   1   .   .   .   parsed_1tk7   1   
         68   1   .   .   .   parsed_1tk7   1   
         69   1   .   .   .   parsed_1tk7   1   
         70   1   .   .   .   parsed_1tk7   1   
         71   1   .   .   .   parsed_1tk7   1   
         72   1   .   .   .   parsed_1tk7   1   
         73   1   .   .   .   parsed_1tk7   1   
         74   1   .   .   .   parsed_1tk7   1   
         75   1   .   .   .   parsed_1tk7   1   
         76   1   .   .   .   parsed_1tk7   1   
         77   1   .   .   .   parsed_1tk7   1   
         78   1   .   .   .   parsed_1tk7   1   
         79   1   .   .   .   parsed_1tk7   1   
         80   1   .   .   .   parsed_1tk7   1   
         81   1   .   .   .   parsed_1tk7   1   
         82   1   .   .   .   parsed_1tk7   1   
         83   1   .   .   .   parsed_1tk7   1   
         84   1   .   .   .   parsed_1tk7   1   
         85   1   .   .   .   parsed_1tk7   1   
         86   1   .   .   .   parsed_1tk7   1   
         87   1   .   .   .   parsed_1tk7   1   
         88   1   .   .   .   parsed_1tk7   1   
         89   1   .   .   .   parsed_1tk7   1   
         90   1   .   .   .   parsed_1tk7   1   
         91   1   .   .   .   parsed_1tk7   1   
         92   1   .   .   .   parsed_1tk7   1   
         93   1   .   .   .   parsed_1tk7   1   
         94   1   .   .   .   parsed_1tk7   1   
         95   1   .   .   .   parsed_1tk7   1   
         96   1   .   .   .   parsed_1tk7   1   
         97   1   .   .   .   parsed_1tk7   1   
         98   1   .   .   .   parsed_1tk7   1   
         99   1   .   .   .   parsed_1tk7   1   
        100   1   .   .   .   parsed_1tk7   1   
        101   1   .   .   .   parsed_1tk7   1   
        102   1   .   .   .   parsed_1tk7   1   
        103   1   .   .   .   parsed_1tk7   1   
        104   1   .   .   .   parsed_1tk7   1   
        105   1   .   .   .   parsed_1tk7   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   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          1   1   2   .   .   .   .   .   .   .   .   .   17   .   CG    parsed_1tk7   1   
          2   1   1   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          2   1   2   .   .   .   .   .   .   .   .   .   17   .   CD1   parsed_1tk7   1   
          3   1   1   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          3   1   2   .   .   .   .   .   .   .   .   .   17   .   CD2   parsed_1tk7   1   
          4   1   1   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          4   1   2   .   .   .   .   .   .   .   .   .   17   .   CE2   parsed_1tk7   1   
          5   1   1   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          5   1   2   .   .   .   .   .   .   .   .   .   17   .   CE3   parsed_1tk7   1   
          6   1   1   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          6   1   2   .   .   .   .   .   .   .   .   .   17   .   NE1   parsed_1tk7   1   
          7   1   1   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          7   1   2   .   .   .   .   .   .   .   .   .   17   .   CH2   parsed_1tk7   1   
          8   1   1   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          8   1   2   .   .   .   .   .   .   .   .   .   17   .   CZ2   parsed_1tk7   1   
          9   1   1   .   .   .   .   .   .   .   .   .   42   .   CB    parsed_1tk7   1   
          9   1   2   .   .   .   .   .   .   .   .   .   17   .   CZ3   parsed_1tk7   1   
         10   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         10   1   2   .   .   .   .   .   .   .   .   .   17   .   CG    parsed_1tk7   1   
         11   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         11   1   2   .   .   .   .   .   .   .   .   .   17   .   CD1   parsed_1tk7   1   
         12   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         12   1   2   .   .   .   .   .   .   .   .   .   17   .   CD2   parsed_1tk7   1   
         13   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         13   1   2   .   .   .   .   .   .   .   .   .   17   .   CE2   parsed_1tk7   1   
         14   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         14   1   2   .   .   .   .   .   .   .   .   .   17   .   CE3   parsed_1tk7   1   
         15   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         15   1   2   .   .   .   .   .   .   .   .   .   17   .   NE1   parsed_1tk7   1   
         16   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         16   1   2   .   .   .   .   .   .   .   .   .   17   .   CH2   parsed_1tk7   1   
         17   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         17   1   2   .   .   .   .   .   .   .   .   .   17   .   CZ2   parsed_1tk7   1   
         18   1   1   .   .   .   .   .   .   .   .   .   42   .   CG    parsed_1tk7   1   
         18   1   2   .   .   .   .   .   .   .   .   .   17   .   CZ3   parsed_1tk7   1   
         19   1   1   .   .   .   .   .   .   .   .   .   42   .   CD    parsed_1tk7   1   
         19   1   2   .   .   .   .   .   .   .   .   .   29   .   CG    parsed_1tk7   1   
         20   1   1   .   .   .   .   .   .   .   .   .   42   .   CD    parsed_1tk7   1   
         20   1   2   .   .   .   .   .   .   .   .   .   29   .   CZ    parsed_1tk7   1   
         21   1   1   .   .   .   .   .   .   .   .   .   42   .   CD    parsed_1tk7   1   
         21   1   2   .   .   .   .   .   .   .   .   .   29   .   CD1   parsed_1tk7   1   
         22   1   1   .   .   .   .   .   .   .   .   .   42   .   CD    parsed_1tk7   1   
         22   1   2   .   .   .   .   .   .   .   .   .   29   .   CD2   parsed_1tk7   1   
         23   1   1   .   .   .   .   .   .   .   .   .   42   .   CD    parsed_1tk7   1   
         23   1   2   .   .   .   .   .   .   .   .   .   29   .   CE1   parsed_1tk7   1   
         24   1   1   .   .   .   .   .   .   .   .   .   42   .   CD    parsed_1tk7   1   
         24   1   2   .   .   .   .   .   .   .   .   .   29   .   CE2   parsed_1tk7   1   
         25   1   1   .   .   .   .   .   .   .   .   .   86   .   CD    parsed_1tk7   1   
         25   1   2   .   .   .   .   .   .   .   .   .   73   .   CG    parsed_1tk7   1   
         26   1   1   .   .   .   .   .   .   .   .   .   86   .   CD    parsed_1tk7   1   
         26   1   2   .   .   .   .   .   .   .   .   .   73   .   CZ    parsed_1tk7   1   
         27   1   1   .   .   .   .   .   .   .   .   .   86   .   CD    parsed_1tk7   1   
         27   1   2   .   .   .   .   .   .   .   .   .   73   .   CD1   parsed_1tk7   1   
         28   1   1   .   .   .   .   .   .   .   .   .   86   .   CD    parsed_1tk7   1   
         28   1   2   .   .   .   .   .   .   .   .   .   73   .   CD2   parsed_1tk7   1   
         29   1   1   .   .   .   .   .   .   .   .   .   86   .   CD    parsed_1tk7   1   
         29   1   2   .   .   .   .   .   .   .   .   .   73   .   CE1   parsed_1tk7   1   
         30   1   1   .   .   .   .   .   .   .   .   .   86   .   CD    parsed_1tk7   1   
         30   1   2   .   .   .   .   .   .   .   .   .   73   .   CE2   parsed_1tk7   1   
         31   1   1   .   .   .   .   .   .   .   .   .   86   .   CB    parsed_1tk7   1   
         31   1   2   .   .   .   .   .   .   .   .   .   61   .   CD1   parsed_1tk7   1   
         32   1   1   .   .   .   .   .   .   .   .   .   86   .   CB    parsed_1tk7   1   
         32   1   2   .   .   .   .   .   .   .   .   .   61   .   CD2   parsed_1tk7   1   
         33   1   1   .   .   .   .   .   .   .   .   .   86   .   CB    parsed_1tk7   1   
         33   1   2   .   .   .   .   .   .   .   .   .   61   .   CE2   parsed_1tk7   1   
         34   1   1   .   .   .   .   .   .   .   .   .   86   .   CB    parsed_1tk7   1   
         34   1   2   .   .   .   .   .   .   .   .   .   61   .   CE3   parsed_1tk7   1   
         35   1   1   .   .   .   .   .   .   .   .   .   86   .   CB    parsed_1tk7   1   
         35   1   2   .   .   .   .   .   .   .   .   .   61   .   NE1   parsed_1tk7   1   
         36   1   1   .   .   .   .   .   .   .   .   .   86   .   CB    parsed_1tk7   1   
         36   1   2   .   .   .   .   .   .   .   .   .   61   .   CH2   parsed_1tk7   1   
         37   1   1   .   .   .   .   .   .   .   .   .   86   .   CB    parsed_1tk7   1   
         37   1   2   .   .   .   .   .   .   .   .   .   61   .   CZ2   parsed_1tk7   1   
         38   1   1   .   .   .   .   .   .   .   .   .   86   .   CB    parsed_1tk7   1   
         38   1   2   .   .   .   .   .   .   .   .   .   61   .   CZ3   parsed_1tk7   1   
         39   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         39   1   2   .   .   .   .   .   .   .   .   .   61   .   CG    parsed_1tk7   1   
         40   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         40   1   2   .   .   .   .   .   .   .   .   .   61   .   CD1   parsed_1tk7   1   
         41   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         41   1   2   .   .   .   .   .   .   .   .   .   61   .   CD2   parsed_1tk7   1   
         42   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         42   1   2   .   .   .   .   .   .   .   .   .   61   .   CE2   parsed_1tk7   1   
         43   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         43   1   2   .   .   .   .   .   .   .   .   .   61   .   CE3   parsed_1tk7   1   
         44   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         44   1   2   .   .   .   .   .   .   .   .   .   61   .   NE1   parsed_1tk7   1   
         45   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         45   1   2   .   .   .   .   .   .   .   .   .   61   .   CH2   parsed_1tk7   1   
         46   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         46   1   2   .   .   .   .   .   .   .   .   .   61   .   CZ2   parsed_1tk7   1   
         47   1   1   .   .   .   .   .   .   .   .   .   86   .   CG    parsed_1tk7   1   
         47   1   2   .   .   .   .   .   .   .   .   .   61   .   CZ3   parsed_1tk7   1   
         48   1   1   .   .   .   .   .   .   .   .   .   16   .   N     parsed_1tk7   1   
         48   1   2   .   .   .   .   .   .   .   .   .   17   .   CD1   parsed_1tk7   1   
         49   1   1   .   .   .   .   .   .   .   .   .   60   .   N     parsed_1tk7   1   
         49   1   2   .   .   .   .   .   .   .   .   .   61   .   CD1   parsed_1tk7   1   
         50   1   1   .   .   .   .   .   .   .   .   .   17   .   CZ3   parsed_1tk7   1   
         50   1   2   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1tk7   1   
         51   1   1   .   .   .   .   .   .   .   .   .   17   .   CZ3   parsed_1tk7   1   
         51   1   2   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1tk7   1   
         52   1   1   .   .   .   .   .   .   .   .   .   61   .   CZ3   parsed_1tk7   1   
         52   1   2   .   .   .   .   .   .   .   .   .   74   .   HN    parsed_1tk7   1   
         53   1   1   .   .   .   .   .   .   .   .   .   61   .   CZ3   parsed_1tk7   1   
         53   1   2   .   .   .   .   .   .   .   .   .   75   .   HN    parsed_1tk7   1   
         54   1   1   .   .   .   .   .   .   .   .   .   41   .   HN    parsed_1tk7   1   
         54   1   2   .   .   .   .   .   .   .   .   .   29   .   HZ    parsed_1tk7   1   
         55   1   1   .   .   .   .   .   .   .   .   .   41   .   HN    parsed_1tk7   1   
         55   1   2   .   .   .   .   .   .   .   .   .   29   .   HE2   parsed_1tk7   1   
         56   1   1   .   .   .   .   .   .   .   .   .   39   .   HN    parsed_1tk7   1   
         56   1   2   .   .   .   .   .   .   .   .   .   39   .   HD1   parsed_1tk7   1   
         57   1   1   .   .   .   .   .   .   .   .   .   40   .   HN    parsed_1tk7   1   
         57   1   2   .   .   .   .   .   .   .   .   .   39   .   HD1   parsed_1tk7   1   
         58   1   1   .   .   .   .   .   .   .   .   .   55   .   HN    parsed_1tk7   1   
         58   1   2   .   .   .   .   .   .   .   .   .   52   .   CG2   parsed_1tk7   1   
         59   1   1   .   .   .   .   .   .   .   .   .   55   .   HN    parsed_1tk7   1   
         59   1   2   .   .   .   .   .   .   .   .   .   52   .   CD1   parsed_1tk7   1   
         60   1   1   .   .   .   .   .   .   .   .   .   54   .   HN    parsed_1tk7   1   
         60   1   2   .   .   .   .   .   .   .   .   .   52   .   CG2   parsed_1tk7   1   
         61   1   1   .   .   .   .   .   .   .   .   .   54   .   HN    parsed_1tk7   1   
         61   1   2   .   .   .   .   .   .   .   .   .   52   .   CD1   parsed_1tk7   1   
         62   1   1   .   .   .   .   .   .   .   .   .   53   .   HN    parsed_1tk7   1   
         62   1   2   .   .   .   .   .   .   .   .   .   52   .   CG2   parsed_1tk7   1   
         63   1   1   .   .   .   .   .   .   .   .   .   53   .   HN    parsed_1tk7   1   
         63   1   2   .   .   .   .   .   .   .   .   .   52   .   CD1   parsed_1tk7   1   
         64   1   1   .   .   .   .   .   .   .   .   .   55   .   HN    parsed_1tk7   1   
         64   1   2   .   .   .   .   .   .   .   .   .   87   .   NH1   parsed_1tk7   1   
         65   1   1   .   .   .   .   .   .   .   .   .   55   .   HN    parsed_1tk7   1   
         65   1   2   .   .   .   .   .   .   .   .   .   87   .   NH2   parsed_1tk7   1   
         66   1   1   .   .   .   .   .   .   .   .   .   55   .   HN    parsed_1tk7   1   
         66   1   2   .   .   .   .   .   .   .   .   .   87   .   CD1   parsed_1tk7   1   
         67   1   1   .   .   .   .   .   .   .   .   .   61   .   HN    parsed_1tk7   1   
         67   1   2   .   .   .   .   .   .   .   .   .   58   .   CB    parsed_1tk7   1   
         68   1   1   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1tk7   1   
         68   1   2   .   .   .   .   .   .   .   .   .   17   .   HE3   parsed_1tk7   1   
         69   1   1   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1tk7   1   
         69   1   2   .   .   .   .   .   .   .   .   .   17   .   HZ3   parsed_1tk7   1   
         70   1   1   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1tk7   1   
         70   1   2   .   .   .   .   .   .   .   .   .   17   .   HZ3   parsed_1tk7   1   
         71   1   1   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1tk7   1   
         71   1   2   .   .   .   .   .   .   .   .   .   17   .   HE3   parsed_1tk7   1   
         72   1   1   .   .   .   .   .   .   .   .   .   74   .   HN    parsed_1tk7   1   
         72   1   2   .   .   .   .   .   .   .   .   .   61   .   HE3   parsed_1tk7   1   
         73   1   1   .   .   .   .   .   .   .   .   .   74   .   HN    parsed_1tk7   1   
         73   1   2   .   .   .   .   .   .   .   .   .   61   .   HZ3   parsed_1tk7   1   
         74   1   1   .   .   .   .   .   .   .   .   .   75   .   HN    parsed_1tk7   1   
         74   1   2   .   .   .   .   .   .   .   .   .   61   .   HZ3   parsed_1tk7   1   
         75   1   1   .   .   .   .   .   .   .   .   .   75   .   HN    parsed_1tk7   1   
         75   1   2   .   .   .   .   .   .   .   .   .   61   .   HE3   parsed_1tk7   1   
         76   1   1   .   .   .   .   .   .   .   .   .   18   .   CB    parsed_1tk7   1   
         76   1   2   .   .   .   .   .   .   .   .   .   30   .   HN    parsed_1tk7   1   
         77   1   1   .   .   .   .   .   .   .   .   .   18   .   HN    parsed_1tk7   1   
         77   1   2   .   .   .   .   .   .   .   .   .   30   .   CB    parsed_1tk7   1   
         78   1   1   .   .   .   .   .   .   .   .   .   18   .   CB    parsed_1tk7   1   
         78   1   2   .   .   .   .   .   .   .   .   .   30   .   CB    parsed_1tk7   1   
         79   1   1   .   .   .   .   .   .   .   .   .   20   .   CB    parsed_1tk7   1   
         79   1   2   .   .   .   .   .   .   .   .   .   28   .   HN    parsed_1tk7   1   
         80   1   1   .   .   .   .   .   .   .   .   .   20   .   HN    parsed_1tk7   1   
         80   1   2   .   .   .   .   .   .   .   .   .   28   .   CB    parsed_1tk7   1   
         81   1   1   .   .   .   .   .   .   .   .   .   20   .   CB    parsed_1tk7   1   
         81   1   2   .   .   .   .   .   .   .   .   .   28   .   CB    parsed_1tk7   1   
         82   1   1   .   .   .   .   .   .   .   .   .   22   .   CB    parsed_1tk7   1   
         82   1   2   .   .   .   .   .   .   .   .   .   26   .   HN    parsed_1tk7   1   
         83   1   1   .   .   .   .   .   .   .   .   .   22   .   HN    parsed_1tk7   1   
         83   1   2   .   .   .   .   .   .   .   .   .   26   .   CB    parsed_1tk7   1   
         84   1   1   .   .   .   .   .   .   .   .   .   22   .   CB    parsed_1tk7   1   
         84   1   2   .   .   .   .   .   .   .   .   .   26   .   CB    parsed_1tk7   1   
         85   1   1   .   .   .   .   .   .   .   .   .   36   .   CB    parsed_1tk7   1   
         85   1   2   .   .   .   .   .   .   .   .   .   31   .   HN    parsed_1tk7   1   
         86   1   1   .   .   .   .   .   .   .   .   .   36   .   HN    parsed_1tk7   1   
         86   1   2   .   .   .   .   .   .   .   .   .   31   .   CB    parsed_1tk7   1   
         87   1   1   .   .   .   .   .   .   .   .   .   36   .   CB    parsed_1tk7   1   
         87   1   2   .   .   .   .   .   .   .   .   .   31   .   CB    parsed_1tk7   1   
         88   1   1   .   .   .   .   .   .   .   .   .   38   .   CB    parsed_1tk7   1   
         88   1   2   .   .   .   .   .   .   .   .   .   29   .   HN    parsed_1tk7   1   
         89   1   1   .   .   .   .   .   .   .   .   .   38   .   HN    parsed_1tk7   1   
         89   1   2   .   .   .   .   .   .   .   .   .   29   .   CB    parsed_1tk7   1   
         90   1   1   .   .   .   .   .   .   .   .   .   38   .   CB    parsed_1tk7   1   
         90   1   2   .   .   .   .   .   .   .   .   .   29   .   CB    parsed_1tk7   1   
         91   1   1   .   .   .   .   .   .   .   .   .   62   .   CB    parsed_1tk7   1   
         91   1   2   .   .   .   .   .   .   .   .   .   74   .   HN    parsed_1tk7   1   
         92   1   1   .   .   .   .   .   .   .   .   .   62   .   HN    parsed_1tk7   1   
         92   1   2   .   .   .   .   .   .   .   .   .   74   .   CB    parsed_1tk7   1   
         93   1   1   .   .   .   .   .   .   .   .   .   62   .   CB    parsed_1tk7   1   
         93   1   2   .   .   .   .   .   .   .   .   .   74   .   CB    parsed_1tk7   1   
         94   1   1   .   .   .   .   .   .   .   .   .   64   .   CB    parsed_1tk7   1   
         94   1   2   .   .   .   .   .   .   .   .   .   72   .   HN    parsed_1tk7   1   
         95   1   1   .   .   .   .   .   .   .   .   .   64   .   HN    parsed_1tk7   1   
         95   1   2   .   .   .   .   .   .   .   .   .   72   .   CB    parsed_1tk7   1   
         96   1   1   .   .   .   .   .   .   .   .   .   64   .   CB    parsed_1tk7   1   
         96   1   2   .   .   .   .   .   .   .   .   .   72   .   CB    parsed_1tk7   1   
         97   1   1   .   .   .   .   .   .   .   .   .   66   .   CB    parsed_1tk7   1   
         97   1   2   .   .   .   .   .   .   .   .   .   70   .   HN    parsed_1tk7   1   
         98   1   1   .   .   .   .   .   .   .   .   .   66   .   HN    parsed_1tk7   1   
         98   1   2   .   .   .   .   .   .   .   .   .   70   .   CB    parsed_1tk7   1   
         99   1   1   .   .   .   .   .   .   .   .   .   66   .   CB    parsed_1tk7   1   
         99   1   2   .   .   .   .   .   .   .   .   .   70   .   CB    parsed_1tk7   1   
        100   1   1   .   .   .   .   .   .   .   .   .   80   .   CB    parsed_1tk7   1   
        100   1   2   .   .   .   .   .   .   .   .   .   75   .   HN    parsed_1tk7   1   
        101   1   1   .   .   .   .   .   .   .   .   .   80   .   HN    parsed_1tk7   1   
        101   1   2   .   .   .   .   .   .   .   .   .   75   .   CB    parsed_1tk7   1   
        102   1   1   .   .   .   .   .   .   .   .   .   80   .   CB    parsed_1tk7   1   
        102   1   2   .   .   .   .   .   .   .   .   .   75   .   CB    parsed_1tk7   1   
        103   1   1   .   .   .   .   .   .   .   .   .   82   .   CB    parsed_1tk7   1   
        103   1   2   .   .   .   .   .   .   .   .   .   73   .   HN    parsed_1tk7   1   
        104   1   1   .   .   .   .   .   .   .   .   .   82   .   HN    parsed_1tk7   1   
        104   1   2   .   .   .   .   .   .   .   .   .   73   .   CB    parsed_1tk7   1   
        105   1   1   .   .   .   .   .   .   .   .   .   82   .   CB    parsed_1tk7   1   
        105   1   2   .   .   .   .   .   .   .   .   .   73   .   CB    parsed_1tk7   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   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
          2   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
          3   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
          4   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
          5   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
          6   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
          7   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
          8   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
          9   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
         10   1   .   .   .   .   .   4.00   2.00   7.00   parsed_1tk7   1   
         11   1   .   .   .   .   .   4.00   2.00   7.00   parsed_1tk7   1   
         12   1   .   .   .   .   .   4.00   3.00   5.00   parsed_1tk7   1   
         13   1   .   .   .   .   .   4.00   3.00   5.00   parsed_1tk7   1   
         14   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         15   1   .   .   .   .   .   4.00   3.00   5.00   parsed_1tk7   1   
         16   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         17   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         18   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         19   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         20   1   .   .   .   .   .   4.10   3.70   4.50   parsed_1tk7   1   
         21   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         22   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         23   1   .   .   .   .   .   4.10   3.70   4.50   parsed_1tk7   1   
         24   1   .   .   .   .   .   4.10   3.70   4.50   parsed_1tk7   1   
         25   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         26   1   .   .   .   .   .   4.10   3.70   4.50   parsed_1tk7   1   
         27   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         28   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         29   1   .   .   .   .   .   4.10   3.70   4.50   parsed_1tk7   1   
         30   1   .   .   .   .   .   4.10   3.70   4.50   parsed_1tk7   1   
         31   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
         32   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
         33   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
         34   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
         35   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
         36   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         37   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         38   1   .   .   .   .   .   5.00   3.00   8.00   parsed_1tk7   1   
         39   1   .   .   .   .   .   4.00   3.00   5.00   parsed_1tk7   1   
         40   1   .   .   .   .   .   4.00   3.00   5.00   parsed_1tk7   1   
         41   1   .   .   .   .   .   4.00   3.00   5.00   parsed_1tk7   1   
         42   1   .   .   .   .   .   4.00   3.00   5.00   parsed_1tk7   1   
         43   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         44   1   .   .   .   .   .   4.00   3.00   5.00   parsed_1tk7   1   
         45   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         46   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         47   1   .   .   .   .   .   3.60   3.20   4.00   parsed_1tk7   1   
         48   1   .   .   .   .   .   5.00   3.00   7.00   parsed_1tk7   1   
         49   1   .   .   .   .   .   5.00   3.00   7.00   parsed_1tk7   1   
         50   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1tk7   1   
         51   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1tk7   1   
         52   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1tk7   1   
         53   1   .   .   .   .   .   4.00   2.00   6.00   parsed_1tk7   1   
         54   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1tk7   1   
         55   1   .   .   .   .   .   4.00   3.00   6.00   parsed_1tk7   1   
         56   1   .   .   .   .   .   3.50   3.00   4.00   parsed_1tk7   1   
         57   1   .   .   .   .   .   4.50   4.00   5.50   parsed_1tk7   1   
         58   1   .   .   .   .   .   3.00   2.50   6.50   parsed_1tk7   1   
         59   1   .   .   .   .   .   3.00   2.50   6.50   parsed_1tk7   1   
         60   1   .   .   .   .   .   3.00   2.50   6.50   parsed_1tk7   1   
         61   1   .   .   .   .   .   3.00   2.50   6.50   parsed_1tk7   1   
         62   1   .   .   .   .   .   3.00   2.50   6.00   parsed_1tk7   1   
         63   1   .   .   .   .   .   3.00   2.50   6.00   parsed_1tk7   1   
         64   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1tk7   1   
         65   1   .   .   .   .   .   3.00   2.00   4.00   parsed_1tk7   1   
         66   1   .   .   .   .   .   4.00   3.00   5.50   parsed_1tk7   1   
         67   1   .   .   .   .   .   4.50   4.00   5.30   parsed_1tk7   1   
         68   1   .   .   .   .   .   2.0    1.5    2.5    parsed_1tk7   1   
         69   1   .   .   .   .   .   3.5    3.0    4.0    parsed_1tk7   1   
         70   1   .   .   .   .   .   3.5    3.0    4.0    parsed_1tk7   1   
         71   1   .   .   .   .   .   3.8    3.3    4.3    parsed_1tk7   1   
         72   1   .   .   .   .   .   2.0    1.5    2.5    parsed_1tk7   1   
         73   1   .   .   .   .   .   3.5    3.0    4.0    parsed_1tk7   1   
         74   1   .   .   .   .   .   3.5    3.0    4.0    parsed_1tk7   1   
         75   1   .   .   .   .   .   3.8    3.3    4.3    parsed_1tk7   1   
         76   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
         77   1   .   .   .   .   .   3.80   3.40   4.20   parsed_1tk7   1   
         78   1   .   .   .   .   .   3.80   3.40   4.20   parsed_1tk7   1   
         79   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
         80   1   .   .   .   .   .   4.00   3.70   4.30   parsed_1tk7   1   
         81   1   .   .   .   .   .   4.60   4.20   5.00   parsed_1tk7   1   
         82   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
         83   1   .   .   .   .   .   4.10   3.80   4.40   parsed_1tk7   1   
         84   1   .   .   .   .   .   4.60   4.20   5.00   parsed_1tk7   1   
         85   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
         86   1   .   .   .   .   .   4.00   3.70   4.30   parsed_1tk7   1   
         87   1   .   .   .   .   .   4.60   4.20   5.00   parsed_1tk7   1   
         88   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
         89   1   .   .   .   .   .   4.00   3.70   4.30   parsed_1tk7   1   
         90   1   .   .   .   .   .   4.60   4.20   5.00   parsed_1tk7   1   
         91   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
         92   1   .   .   .   .   .   3.80   3.40   4.20   parsed_1tk7   1   
         93   1   .   .   .   .   .   3.80   3.40   4.20   parsed_1tk7   1   
         94   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
         95   1   .   .   .   .   .   4.00   3.70   4.30   parsed_1tk7   1   
         96   1   .   .   .   .   .   4.60   4.20   5.00   parsed_1tk7   1   
         97   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
         98   1   .   .   .   .   .   4.10   3.80   4.40   parsed_1tk7   1   
         99   1   .   .   .   .   .   4.60   4.20   5.00   parsed_1tk7   1   
        100   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
        101   1   .   .   .   .   .   4.00   3.70   4.30   parsed_1tk7   1   
        102   1   .   .   .   .   .   4.60   4.20   5.00   parsed_1tk7   1   
        103   1   .   .   .   .   .   4.00   3.60   4.40   parsed_1tk7   1   
        104   1   .   .   .   .   .   4.00   3.70   4.30   parsed_1tk7   1   
        105   1   .   .   .   .   .   4.60   4.20   5.00   parsed_1tk7   1   
    stop_

save_





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