NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype item_count
53957 2vrg cing 2-parsed STAR distance hydrogen bond simple 110


data_2vrg_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2vrg 
    _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_2vrg   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2vrg 
    _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   2vrg   "Master copy"    parsed_2vrg   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2vrg 
    _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   2vrg.mr   .   .   "MR format"    1    comment            "Not applicable"      "Not applicable"       0   parsed_2vrg   1   
        1   2vrg.mr   .   .    XPLOR/CNS     2    distance            NOE                   ambi               2142   parsed_2vrg   1   
        1   2vrg.mr   .   .    XPLOR/CNS     3    distance           "general distance"     simple               12   parsed_2vrg   1   
        1   2vrg.mr   .   .    XPLOR/CNS     4   "dihedral angle"    "Not applicable"      "Not applicable"     165   parsed_2vrg   1   
        1   2vrg.mr   .   .    XPLOR/CNS     5    distance           "hydrogen bond"        simple              110   parsed_2vrg   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2vrg 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _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_2vrg   1   
          2   1   .   .   .   parsed_2vrg   1   
          3   1   .   .   .   parsed_2vrg   1   
          4   1   .   .   .   parsed_2vrg   1   
          5   1   .   .   .   parsed_2vrg   1   
          6   1   .   .   .   parsed_2vrg   1   
          7   1   .   .   .   parsed_2vrg   1   
          8   1   .   .   .   parsed_2vrg   1   
          9   1   .   .   .   parsed_2vrg   1   
         10   1   .   .   .   parsed_2vrg   1   
         11   1   .   .   .   parsed_2vrg   1   
         12   1   .   .   .   parsed_2vrg   1   
         13   1   .   .   .   parsed_2vrg   1   
         14   1   .   .   .   parsed_2vrg   1   
         15   1   .   .   .   parsed_2vrg   1   
         16   1   .   .   .   parsed_2vrg   1   
         17   1   .   .   .   parsed_2vrg   1   
         18   1   .   .   .   parsed_2vrg   1   
         19   1   .   .   .   parsed_2vrg   1   
         20   1   .   .   .   parsed_2vrg   1   
         21   1   .   .   .   parsed_2vrg   1   
         22   1   .   .   .   parsed_2vrg   1   
         23   1   .   .   .   parsed_2vrg   1   
         24   1   .   .   .   parsed_2vrg   1   
         25   1   .   .   .   parsed_2vrg   1   
         26   1   .   .   .   parsed_2vrg   1   
         27   1   .   .   .   parsed_2vrg   1   
         28   1   .   .   .   parsed_2vrg   1   
         29   1   .   .   .   parsed_2vrg   1   
         30   1   .   .   .   parsed_2vrg   1   
         31   1   .   .   .   parsed_2vrg   1   
         32   1   .   .   .   parsed_2vrg   1   
         33   1   .   .   .   parsed_2vrg   1   
         34   1   .   .   .   parsed_2vrg   1   
         35   1   .   .   .   parsed_2vrg   1   
         36   1   .   .   .   parsed_2vrg   1   
         37   1   .   .   .   parsed_2vrg   1   
         38   1   .   .   .   parsed_2vrg   1   
         39   1   .   .   .   parsed_2vrg   1   
         40   1   .   .   .   parsed_2vrg   1   
         41   1   .   .   .   parsed_2vrg   1   
         42   1   .   .   .   parsed_2vrg   1   
         43   1   .   .   .   parsed_2vrg   1   
         44   1   .   .   .   parsed_2vrg   1   
         45   1   .   .   .   parsed_2vrg   1   
         46   1   .   .   .   parsed_2vrg   1   
         47   1   .   .   .   parsed_2vrg   1   
         48   1   .   .   .   parsed_2vrg   1   
         49   1   .   .   .   parsed_2vrg   1   
         50   1   .   .   .   parsed_2vrg   1   
         51   1   .   .   .   parsed_2vrg   1   
         52   1   .   .   .   parsed_2vrg   1   
         53   1   .   .   .   parsed_2vrg   1   
         54   1   .   .   .   parsed_2vrg   1   
         55   1   .   .   .   parsed_2vrg   1   
         56   1   .   .   .   parsed_2vrg   1   
         57   1   .   .   .   parsed_2vrg   1   
         58   1   .   .   .   parsed_2vrg   1   
         59   1   .   .   .   parsed_2vrg   1   
         60   1   .   .   .   parsed_2vrg   1   
         61   1   .   .   .   parsed_2vrg   1   
         62   1   .   .   .   parsed_2vrg   1   
         63   1   .   .   .   parsed_2vrg   1   
         64   1   .   .   .   parsed_2vrg   1   
         65   1   .   .   .   parsed_2vrg   1   
         66   1   .   .   .   parsed_2vrg   1   
         67   1   .   .   .   parsed_2vrg   1   
         68   1   .   .   .   parsed_2vrg   1   
         69   1   .   .   .   parsed_2vrg   1   
         70   1   .   .   .   parsed_2vrg   1   
         71   1   .   .   .   parsed_2vrg   1   
         72   1   .   .   .   parsed_2vrg   1   
         73   1   .   .   .   parsed_2vrg   1   
         74   1   .   .   .   parsed_2vrg   1   
         75   1   .   .   .   parsed_2vrg   1   
         76   1   .   .   .   parsed_2vrg   1   
         77   1   .   .   .   parsed_2vrg   1   
         78   1   .   .   .   parsed_2vrg   1   
         79   1   .   .   .   parsed_2vrg   1   
         80   1   .   .   .   parsed_2vrg   1   
         81   1   .   .   .   parsed_2vrg   1   
         82   1   .   .   .   parsed_2vrg   1   
         83   1   .   .   .   parsed_2vrg   1   
         84   1   .   .   .   parsed_2vrg   1   
         85   1   .   .   .   parsed_2vrg   1   
         86   1   .   .   .   parsed_2vrg   1   
         87   1   .   .   .   parsed_2vrg   1   
         88   1   .   .   .   parsed_2vrg   1   
         89   1   .   .   .   parsed_2vrg   1   
         90   1   .   .   .   parsed_2vrg   1   
         91   1   .   .   .   parsed_2vrg   1   
         92   1   .   .   .   parsed_2vrg   1   
         93   1   .   .   .   parsed_2vrg   1   
         94   1   .   .   .   parsed_2vrg   1   
         95   1   .   .   .   parsed_2vrg   1   
         96   1   .   .   .   parsed_2vrg   1   
         97   1   .   .   .   parsed_2vrg   1   
         98   1   .   .   .   parsed_2vrg   1   
         99   1   .   .   .   parsed_2vrg   1   
        100   1   .   .   .   parsed_2vrg   1   
        101   1   .   .   .   parsed_2vrg   1   
        102   1   .   .   .   parsed_2vrg   1   
        103   1   .   .   .   parsed_2vrg   1   
        104   1   .   .   .   parsed_2vrg   1   
        105   1   .   .   .   parsed_2vrg   1   
        106   1   .   .   .   parsed_2vrg   1   
        107   1   .   .   .   parsed_2vrg   1   
        108   1   .   .   .   parsed_2vrg   1   
        109   1   .   .   .   parsed_2vrg   1   
        110   1   .   .   .   parsed_2vrg   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   .   .   .   .   .   .   .   .   "   A"     62   .   HN     parsed_2vrg   1   
          1   1   2   .   .   .   .   .   .   .   .   "   A"     60   .   O      parsed_2vrg   1   
          2   1   1   .   .   .   .   .   .   .   .   "   A"     62   .   N      parsed_2vrg   1   
          2   1   2   .   .   .   .   .   .   .   .   "   A"     60   .   O      parsed_2vrg   1   
          3   1   1   .   .   .   .   .   .   .   .   "   A"     66   .   HN     parsed_2vrg   1   
          3   1   2   .   .   .   .   .   .   .   .   "   A"     63   .   O      parsed_2vrg   1   
          4   1   1   .   .   .   .   .   .   .   .   "   A"     66   .   N      parsed_2vrg   1   
          4   1   2   .   .   .   .   .   .   .   .   "   A"     63   .   O      parsed_2vrg   1   
          5   1   1   .   .   .   .   .   .   .   .   "   A"     67   .   HN     parsed_2vrg   1   
          5   1   2   .   .   .   .   .   .   .   .   "   A"     64   .   O      parsed_2vrg   1   
          6   1   1   .   .   .   .   .   .   .   .   "   A"     67   .   N      parsed_2vrg   1   
          6   1   2   .   .   .   .   .   .   .   .   "   A"     64   .   O      parsed_2vrg   1   
          7   1   1   .   .   .   .   .   .   .   .   "   A"     72   .   HN     parsed_2vrg   1   
          7   1   2   .   .   .   .   .   .   .   .   "   A"     68   .   O      parsed_2vrg   1   
          8   1   1   .   .   .   .   .   .   .   .   "   A"     72   .   N      parsed_2vrg   1   
          8   1   2   .   .   .   .   .   .   .   .   "   A"     68   .   O      parsed_2vrg   1   
          9   1   1   .   .   .   .   .   .   .   .   "   A"     73   .   HN     parsed_2vrg   1   
          9   1   2   .   .   .   .   .   .   .   .   "   A"     69   .   O      parsed_2vrg   1   
         10   1   1   .   .   .   .   .   .   .   .   "   A"     73   .   N      parsed_2vrg   1   
         10   1   2   .   .   .   .   .   .   .   .   "   A"     69   .   O      parsed_2vrg   1   
         11   1   1   .   .   .   .   .   .   .   .   "   A"     76   .   HN     parsed_2vrg   1   
         11   1   2   .   .   .   .   .   .   .   .   "   A"     72   .   O      parsed_2vrg   1   
         12   1   1   .   .   .   .   .   .   .   .   "   A"     76   .   N      parsed_2vrg   1   
         12   1   2   .   .   .   .   .   .   .   .   "   A"     72   .   O      parsed_2vrg   1   
         13   1   1   .   .   .   .   .   .   .   .   "   A"     77   .   HN     parsed_2vrg   1   
         13   1   2   .   .   .   .   .   .   .   .   "   A"     73   .   O      parsed_2vrg   1   
         14   1   1   .   .   .   .   .   .   .   .   "   A"     77   .   N      parsed_2vrg   1   
         14   1   2   .   .   .   .   .   .   .   .   "   A"     73   .   O      parsed_2vrg   1   
         15   1   1   .   .   .   .   .   .   .   .   "   A"     78   .   HN     parsed_2vrg   1   
         15   1   2   .   .   .   .   .   .   .   .   "   A"     74   .   O      parsed_2vrg   1   
         16   1   1   .   .   .   .   .   .   .   .   "   A"     78   .   N      parsed_2vrg   1   
         16   1   2   .   .   .   .   .   .   .   .   "   A"     74   .   O      parsed_2vrg   1   
         17   1   1   .   .   .   .   .   .   .   .   "   A"     79   .   HN     parsed_2vrg   1   
         17   1   2   .   .   .   .   .   .   .   .   "   A"     75   .   O      parsed_2vrg   1   
         18   1   1   .   .   .   .   .   .   .   .   "   A"     79   .   N      parsed_2vrg   1   
         18   1   2   .   .   .   .   .   .   .   .   "   A"     75   .   O      parsed_2vrg   1   
         19   1   1   .   .   .   .   .   .   .   .   "   A"     81   .   HN     parsed_2vrg   1   
         19   1   2   .   .   .   .   .   .   .   .   "   A"     78   .   O      parsed_2vrg   1   
         20   1   1   .   .   .   .   .   .   .   .   "   A"     81   .   N      parsed_2vrg   1   
         20   1   2   .   .   .   .   .   .   .   .   "   A"     78   .   O      parsed_2vrg   1   
         21   1   1   .   .   .   .   .   .   .   .   "   A"     82   .   HN     parsed_2vrg   1   
         21   1   2   .   .   .   .   .   .   .   .   "   A"     80   .   O      parsed_2vrg   1   
         22   1   1   .   .   .   .   .   .   .   .   "   A"     82   .   N      parsed_2vrg   1   
         22   1   2   .   .   .   .   .   .   .   .   "   A"     80   .   O      parsed_2vrg   1   
         23   1   1   .   .   .   .   .   .   .   .   "   A"     93   .   HN     parsed_2vrg   1   
         23   1   2   .   .   .   .   .   .   .   .   "   A"     89   .   O      parsed_2vrg   1   
         24   1   1   .   .   .   .   .   .   .   .   "   A"     93   .   N      parsed_2vrg   1   
         24   1   2   .   .   .   .   .   .   .   .   "   A"     89   .   O      parsed_2vrg   1   
         25   1   1   .   .   .   .   .   .   .   .   "   A"     94   .   HN     parsed_2vrg   1   
         25   1   2   .   .   .   .   .   .   .   .   "   A"     90   .   O      parsed_2vrg   1   
         26   1   1   .   .   .   .   .   .   .   .   "   A"     94   .   N      parsed_2vrg   1   
         26   1   2   .   .   .   .   .   .   .   .   "   A"     90   .   O      parsed_2vrg   1   
         27   1   1   .   .   .   .   .   .   .   .   "   A"     95   .   HN     parsed_2vrg   1   
         27   1   2   .   .   .   .   .   .   .   .   "   A"     92   .   O      parsed_2vrg   1   
         28   1   1   .   .   .   .   .   .   .   .   "   A"     95   .   N      parsed_2vrg   1   
         28   1   2   .   .   .   .   .   .   .   .   "   A"     92   .   O      parsed_2vrg   1   
         29   1   1   .   .   .   .   .   .   .   .   "   A"     96   .   HN     parsed_2vrg   1   
         29   1   2   .   .   .   .   .   .   .   .   "   A"     93   .   O      parsed_2vrg   1   
         30   1   1   .   .   .   .   .   .   .   .   "   A"     96   .   N      parsed_2vrg   1   
         30   1   2   .   .   .   .   .   .   .   .   "   A"     93   .   O      parsed_2vrg   1   
         31   1   1   .   .   .   .   .   .   .   .   "   A"     97   .   HN     parsed_2vrg   1   
         31   1   2   .   .   .   .   .   .   .   .   "   A"     93   .   O      parsed_2vrg   1   
         32   1   1   .   .   .   .   .   .   .   .   "   A"     97   .   N      parsed_2vrg   1   
         32   1   2   .   .   .   .   .   .   .   .   "   A"     93   .   O      parsed_2vrg   1   
         33   1   1   .   .   .   .   .   .   .   .   "   A"     99   .   HN     parsed_2vrg   1   
         33   1   2   .   .   .   .   .   .   .   .   "   A"     96   .   O      parsed_2vrg   1   
         34   1   1   .   .   .   .   .   .   .   .   "   A"     99   .   N      parsed_2vrg   1   
         34   1   2   .   .   .   .   .   .   .   .   "   A"     96   .   O      parsed_2vrg   1   
         35   1   1   .   .   .   .   .   .   .   .   "   A"    100   .   HN     parsed_2vrg   1   
         35   1   2   .   .   .   .   .   .   .   .   "   A"     96   .   O      parsed_2vrg   1   
         36   1   1   .   .   .   .   .   .   .   .   "   A"    100   .   N      parsed_2vrg   1   
         36   1   2   .   .   .   .   .   .   .   .   "   A"     96   .   O      parsed_2vrg   1   
         37   1   1   .   .   .   .   .   .   .   .   "   A"    101   .   HN     parsed_2vrg   1   
         37   1   2   .   .   .   .   .   .   .   .   "   A"     97   .   O      parsed_2vrg   1   
         38   1   1   .   .   .   .   .   .   .   .   "   A"    101   .   N      parsed_2vrg   1   
         38   1   2   .   .   .   .   .   .   .   .   "   A"     97   .   O      parsed_2vrg   1   
         39   1   1   .   .   .   .   .   .   .   .   "   A"    111   .   HN     parsed_2vrg   1   
         39   1   2   .   .   .   .   .   .   .   .   "   A"    109   .   O      parsed_2vrg   1   
         40   1   1   .   .   .   .   .   .   .   .   "   A"    111   .   N      parsed_2vrg   1   
         40   1   2   .   .   .   .   .   .   .   .   "   A"    109   .   O      parsed_2vrg   1   
         41   1   1   .   .   .   .   .   .   .   .   "   A"    117   .   HN     parsed_2vrg   1   
         41   1   2   .   .   .   .   .   .   .   .   "   A"    113   .   O      parsed_2vrg   1   
         42   1   1   .   .   .   .   .   .   .   .   "   A"    117   .   N      parsed_2vrg   1   
         42   1   2   .   .   .   .   .   .   .   .   "   A"    113   .   O      parsed_2vrg   1   
         43   1   1   .   .   .   .   .   .   .   .   "   A"    118   .   HN     parsed_2vrg   1   
         43   1   2   .   .   .   .   .   .   .   .   "   A"    114   .   O      parsed_2vrg   1   
         44   1   1   .   .   .   .   .   .   .   .   "   A"    118   .   N      parsed_2vrg   1   
         44   1   2   .   .   .   .   .   .   .   .   "   A"    114   .   O      parsed_2vrg   1   
         45   1   1   .   .   .   .   .   .   .   .   "   A"    119   .   HN     parsed_2vrg   1   
         45   1   2   .   .   .   .   .   .   .   .   "   A"    115   .   O      parsed_2vrg   1   
         46   1   1   .   .   .   .   .   .   .   .   "   A"    119   .   N      parsed_2vrg   1   
         46   1   2   .   .   .   .   .   .   .   .   "   A"    115   .   O      parsed_2vrg   1   
         47   1   1   .   .   .   .   .   .   .   .   "   A"    120   .   HN     parsed_2vrg   1   
         47   1   2   .   .   .   .   .   .   .   .   "   A"    116   .   O      parsed_2vrg   1   
         48   1   1   .   .   .   .   .   .   .   .   "   A"    120   .   N      parsed_2vrg   1   
         48   1   2   .   .   .   .   .   .   .   .   "   A"    116   .   O      parsed_2vrg   1   
         49   1   1   .   .   .   .   .   .   .   .   "   A"    121   .   HN     parsed_2vrg   1   
         49   1   2   .   .   .   .   .   .   .   .   "   A"    117   .   O      parsed_2vrg   1   
         50   1   1   .   .   .   .   .   .   .   .   "   A"    121   .   N      parsed_2vrg   1   
         50   1   2   .   .   .   .   .   .   .   .   "   A"    117   .   O      parsed_2vrg   1   
         51   1   1   .   .   .   .   .   .   .   .   "   A"    122   .   HN     parsed_2vrg   1   
         51   1   2   .   .   .   .   .   .   .   .   "   A"    118   .   O      parsed_2vrg   1   
         52   1   1   .   .   .   .   .   .   .   .   "   A"    122   .   N      parsed_2vrg   1   
         52   1   2   .   .   .   .   .   .   .   .   "   A"    118   .   O      parsed_2vrg   1   
         53   1   1   .   .   .   .   .   .   .   .   "   A"    123   .   HN     parsed_2vrg   1   
         53   1   2   .   .   .   .   .   .   .   .   "   A"    119   .   O      parsed_2vrg   1   
         54   1   1   .   .   .   .   .   .   .   .   "   A"    123   .   N      parsed_2vrg   1   
         54   1   2   .   .   .   .   .   .   .   .   "   A"    119   .   O      parsed_2vrg   1   
         55   1   1   .   .   .   .   .   .   .   .   "   A"    124   .   HN     parsed_2vrg   1   
         55   1   2   .   .   .   .   .   .   .   .   "   A"    120   .   O      parsed_2vrg   1   
         56   1   1   .   .   .   .   .   .   .   .   "   A"    124   .   N      parsed_2vrg   1   
         56   1   2   .   .   .   .   .   .   .   .   "   A"    120   .   O      parsed_2vrg   1   
         57   1   1   .   .   .   .   .   .   .   .   "   A"    125   .   HN     parsed_2vrg   1   
         57   1   2   .   .   .   .   .   .   .   .   "   A"    122   .   O      parsed_2vrg   1   
         58   1   1   .   .   .   .   .   .   .   .   "   A"    125   .   N      parsed_2vrg   1   
         58   1   2   .   .   .   .   .   .   .   .   "   A"    122   .   O      parsed_2vrg   1   
         59   1   1   .   .   .   .   .   .   .   .   "   A"    127   .   HN     parsed_2vrg   1   
         59   1   2   .   .   .   .   .   .   .   .   "   A"    123   .   O      parsed_2vrg   1   
         60   1   1   .   .   .   .   .   .   .   .   "   A"    127   .   N      parsed_2vrg   1   
         60   1   2   .   .   .   .   .   .   .   .   "   A"    123   .   O      parsed_2vrg   1   
         61   1   1   .   .   .   .   .   .   .   .   "   A"    128   .   HN     parsed_2vrg   1   
         61   1   2   .   .   .   .   .   .   .   .   "   A"    124   .   O      parsed_2vrg   1   
         62   1   1   .   .   .   .   .   .   .   .   "   A"    128   .   N      parsed_2vrg   1   
         62   1   2   .   .   .   .   .   .   .   .   "   A"    124   .   O      parsed_2vrg   1   
         63   1   1   .   .   .   .   .   .   .   .   "   A"    129   .   HN     parsed_2vrg   1   
         63   1   2   .   .   .   .   .   .   .   .   "   A"    124   .   O      parsed_2vrg   1   
         64   1   1   .   .   .   .   .   .   .   .   "   A"    129   .   N      parsed_2vrg   1   
         64   1   2   .   .   .   .   .   .   .   .   "   A"    124   .   O      parsed_2vrg   1   
         65   1   1   .   .   .   .   .   .   .   .   "   A"    136   .   HN     parsed_2vrg   1   
         65   1   2   .   .   .   .   .   .   .   .   "   A"     88   .   O      parsed_2vrg   1   
         66   1   1   .   .   .   .   .   .   .   .   "   A"    136   .   N      parsed_2vrg   1   
         66   1   2   .   .   .   .   .   .   .   .   "   A"     88   .   O      parsed_2vrg   1   
         67   1   1   .   .   .   .   .   .   .   .   "   A"    140   .   HN     parsed_2vrg   1   
         67   1   2   .   .   .   .   .   .   .   .   "   A"    137   .   O      parsed_2vrg   1   
         68   1   1   .   .   .   .   .   .   .   .   "   A"    140   .   N      parsed_2vrg   1   
         68   1   2   .   .   .   .   .   .   .   .   "   A"    137   .   O      parsed_2vrg   1   
         69   1   1   .   .   .   .   .   .   .   .   "   A"    141   .   HN     parsed_2vrg   1   
         69   1   2   .   .   .   .   .   .   .   .   "   A"    137   .   O      parsed_2vrg   1   
         70   1   1   .   .   .   .   .   .   .   .   "   A"    141   .   N      parsed_2vrg   1   
         70   1   2   .   .   .   .   .   .   .   .   "   A"    137   .   O      parsed_2vrg   1   
         71   1   1   .   .   .   .   .   .   .   .   "   A"    142   .   HN     parsed_2vrg   1   
         71   1   2   .   .   .   .   .   .   .   .   "   A"    138   .   O      parsed_2vrg   1   
         72   1   1   .   .   .   .   .   .   .   .   "   A"    142   .   N      parsed_2vrg   1   
         72   1   2   .   .   .   .   .   .   .   .   "   A"    138   .   O      parsed_2vrg   1   
         73   1   1   .   .   .   .   .   .   .   .   "   A"    143   .   HN     parsed_2vrg   1   
         73   1   2   .   .   .   .   .   .   .   .   "   A"    139   .   O      parsed_2vrg   1   
         74   1   1   .   .   .   .   .   .   .   .   "   A"    143   .   N      parsed_2vrg   1   
         74   1   2   .   .   .   .   .   .   .   .   "   A"    139   .   O      parsed_2vrg   1   
         75   1   1   .   .   .   .   .   .   .   .   "   A"    144   .   HN     parsed_2vrg   1   
         75   1   2   .   .   .   .   .   .   .   .   "   A"    140   .   O      parsed_2vrg   1   
         76   1   1   .   .   .   .   .   .   .   .   "   A"    144   .   N      parsed_2vrg   1   
         76   1   2   .   .   .   .   .   .   .   .   "   A"    140   .   O      parsed_2vrg   1   
         77   1   1   .   .   .   .   .   .   .   .   "   A"    145   .   HN     parsed_2vrg   1   
         77   1   2   .   .   .   .   .   .   .   .   "   A"    141   .   O      parsed_2vrg   1   
         78   1   1   .   .   .   .   .   .   .   .   "   A"    145   .   N      parsed_2vrg   1   
         78   1   2   .   .   .   .   .   .   .   .   "   A"    141   .   O      parsed_2vrg   1   
         79   1   1   .   .   .   .   .   .   .   .   "   A"     62   .   HZ1    parsed_2vrg   1   
         79   1   2   .   .   .   .   .   .   .   .   "   A"     66   .   O      parsed_2vrg   1   
         80   1   1   .   .   .   .   .   .   .   .   "   A"     62   .   NZ     parsed_2vrg   1   
         80   1   2   .   .   .   .   .   .   .   .   "   A"     66   .   O      parsed_2vrg   1   
         81   1   1   .   .   .   .   .   .   .   .   "   A"     75   .   HD1    parsed_2vrg   1   
         81   1   2   .   .   .   .   .   .   .   .   "   A"     60   .   O      parsed_2vrg   1   
         82   1   1   .   .   .   .   .   .   .   .   "   A"     75   .   ND1    parsed_2vrg   1   
         82   1   2   .   .   .   .   .   .   .   .   "   A"     60   .   O      parsed_2vrg   1   
         83   1   1   .   .   .   .   .   .   .   .   "   A"     80   .   HD1    parsed_2vrg   1   
         83   1   2   .   .   .   .   .   .   .   .   "   A"     92   .   O      parsed_2vrg   1   
         84   1   1   .   .   .   .   .   .   .   .   "   A"     80   .   ND1    parsed_2vrg   1   
         84   1   2   .   .   .   .   .   .   .   .   "   A"     92   .   O      parsed_2vrg   1   
         85   1   1   .   .   .   .   .   .   .   .   "   A"    145   .   HN     parsed_2vrg   1   
         85   1   2   .   .   .   .   .   .   .   .   "   A"    141   .   O      parsed_2vrg   1   
         86   1   1   .   .   .   .   .   .   .   .   "   A"    145   .   N      parsed_2vrg   1   
         86   1   2   .   .   .   .   .   .   .   .   "   A"    141   .   O      parsed_2vrg   1   
         87   1   1   .   .   .   .   .   .   .   .   "   A"     85   .   HN     parsed_2vrg   1   
         87   1   2   .   .   .   .   .   .   .   .   "   A"     83   .   OD1    parsed_2vrg   1   
         88   1   1   .   .   .   .   .   .   .   .   "   A"     85   .   N      parsed_2vrg   1   
         88   1   2   .   .   .   .   .   .   .   .   "   A"     83   .   OD1    parsed_2vrg   1   
         89   1   1   .   .   .   .   .   .   .   .   "   A"     87   .   HN     parsed_2vrg   1   
         89   1   2   .   .   .   .   .   .   .   .   "   A"     85   .   OD1    parsed_2vrg   1   
         90   1   1   .   .   .   .   .   .   .   .   "   A"     87   .   N      parsed_2vrg   1   
         90   1   2   .   .   .   .   .   .   .   .   "   A"     85   .   OD1    parsed_2vrg   1   
         91   1   1   .   .   .   .   .   .   .   .   "   A"     91   .   HN     parsed_2vrg   1   
         91   1   2   .   .   .   .   .   .   .   .   "   A"     89   .   OD1    parsed_2vrg   1   
         92   1   1   .   .   .   .   .   .   .   .   "   A"     91   .   N      parsed_2vrg   1   
         92   1   2   .   .   .   .   .   .   .   .   "   A"     89   .   OD1    parsed_2vrg   1   
         93   1   1   .   .   .   .   .   .   .   .   "   A"     99   .   HD1    parsed_2vrg   1   
         93   1   2   .   .   .   .   .   .   .   .   "   A"    107   .   O      parsed_2vrg   1   
         94   1   1   .   .   .   .   .   .   .   .   "   A"     99   .   ND1    parsed_2vrg   1   
         94   1   2   .   .   .   .   .   .   .   .   "   A"    107   .   O      parsed_2vrg   1   
         95   1   1   .   .   .   .   .   .   .   .   "   A"    113   .   HG     parsed_2vrg   1   
         95   1   2   .   .   .   .   .   .   .   .   "   A"    112   .   O      parsed_2vrg   1   
         96   1   1   .   .   .   .   .   .   .   .   "   A"    113   .   OG     parsed_2vrg   1   
         96   1   2   .   .   .   .   .   .   .   .   "   A"    112   .   O      parsed_2vrg   1   
         97   1   1   .   .   .   .   .   .   .   .   "   A"    133   .   HN     parsed_2vrg   1   
         97   1   2   .   .   .   .   .   .   .   .   "   A"    129   .   OD2    parsed_2vrg   1   
         98   1   1   .   .   .   .   .   .   .   .   "   A"    133   .   N      parsed_2vrg   1   
         98   1   2   .   .   .   .   .   .   .   .   "   A"    129   .   OD2    parsed_2vrg   1   
         99   1   1   .   .   .   .   .   .   .   .   "   A"    134   .   HN     parsed_2vrg   1   
         99   1   2   .   .   .   .   .   .   .   .   "   A"    129   .   OD1    parsed_2vrg   1   
        100   1   1   .   .   .   .   .   .   .   .   "   A"    134   .   N      parsed_2vrg   1   
        100   1   2   .   .   .   .   .   .   .   .   "   A"    129   .   OD1    parsed_2vrg   1   
        101   1   1   .   .   .   .   .   .   .   .   "   A"    138   .   HH     parsed_2vrg   1   
        101   1   2   .   .   .   .   .   .   .   .   "   A"     70   .   O      parsed_2vrg   1   
        102   1   1   .   .   .   .   .   .   .   .   "   A"    138   .   OH     parsed_2vrg   1   
        102   1   2   .   .   .   .   .   .   .   .   "   A"     70   .   O      parsed_2vrg   1   
        103   1   1   .   .   .   .   .   .   .   .   "   A"    139   .   HN     parsed_2vrg   1   
        103   1   2   .   .   .   .   .   .   .   .   "   A"    137   .   OD2    parsed_2vrg   1   
        104   1   1   .   .   .   .   .   .   .   .   "   A"    139   .   N      parsed_2vrg   1   
        104   1   2   .   .   .   .   .   .   .   .   "   A"    137   .   OD2    parsed_2vrg   1   
        105   1   1   .   .   .   .   .   .   .   .   "   A"     78   .   HZ1    parsed_2vrg   1   
        105   1   2   .   .   .   .   .   .   .   .   "   A"     81   .   OD1    parsed_2vrg   1   
        106   1   1   .   .   .   .   .   .   .   .   "   A"     78   .   NZ     parsed_2vrg   1   
        106   1   2   .   .   .   .   .   .   .   .   "   A"     81   .   OD1    parsed_2vrg   1   
        107   1   1   .   .   .   .   .   .   .   .   "   A"    126   .   HH11   parsed_2vrg   1   
        107   1   2   .   .   .   .   .   .   .   .   "   A"    122   .   OD1    parsed_2vrg   1   
        108   1   1   .   .   .   .   .   .   .   .   "   A"    126   .   NH1    parsed_2vrg   1   
        108   1   2   .   .   .   .   .   .   .   .   "   A"    122   .   OD1    parsed_2vrg   1   
        109   1   1   .   .   .   .   .   .   .   .   "   A"    144   .   HG     parsed_2vrg   1   
        109   1   2   .   .   .   .   .   .   .   .   "   A"    128   .   OD2    parsed_2vrg   1   
        110   1   1   .   .   .   .   .   .   .   .   "   A"    144   .   OG     parsed_2vrg   1   
        110   1   2   .   .   .   .   .   .   .   .   "   A"    128   .   OD2    parsed_2vrg   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   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
          2   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
          3   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
          4   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
          5   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
          6   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
          7   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
          8   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
          9   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         10   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         11   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         12   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         13   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         14   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         15   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         16   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         17   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         18   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         19   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         20   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         21   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         22   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         23   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         24   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         25   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         26   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         27   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         28   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         29   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         30   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         31   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         32   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         33   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         34   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         35   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         36   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         37   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         38   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         39   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         40   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         41   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         42   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         43   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         44   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         45   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         46   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         47   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         48   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         49   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         50   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         51   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         52   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         53   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         54   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         55   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         56   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         57   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         58   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         59   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         60   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         61   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         62   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         63   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         64   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         65   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         66   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         67   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         68   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         69   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         70   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         71   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         72   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         73   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         74   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         75   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         76   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         77   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         78   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         79   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         80   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         81   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         82   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         83   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         84   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         85   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         86   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         87   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         88   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         89   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         90   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         91   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         92   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         93   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         94   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         95   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         96   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         97   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
         98   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
         99   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
        100   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
        101   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
        102   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
        103   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
        104   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
        105   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
        106   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
        107   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
        108   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   1   
        109   1   .   .   .   .   .   2.4   1.8   2.4   parsed_2vrg   1   
        110   1   .   .   .   .   .   3.2   2.6   3.2   parsed_2vrg   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   
;
Hydrogen bonds
main chain - main chain
;
     2   1     3    26   parsed_2vrg   1   
        2   "main chain - side chain"    122   1   122    26   parsed_2vrg   1   
        3   
;
assign (segid "   A" and resid 80 and name HD1) (segid "   A" and resid 93 and name N) 2.4 0.6 0.0
assign (segid "   A" and resid 80 and name ND1) (segid "   A" and resid 93 and name N) 3.2 0.6 0.0
;
   133   1   134   101   parsed_2vrg   1   
        4   "side chain - side chain"    166   1   166    26   parsed_2vrg   1   
    stop_

save_





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