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
42922 1zuf cing 2-parsed STAR distance general distance simple 100


data_1zuf_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1zuf 
    _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_1zuf   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1zuf 
    _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   1zuf   "Master copy"    parsed_1zuf   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1zuf 
    _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   1zuf.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_1zuf   1   
        1   1zuf.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             344   parsed_1zuf   1   
        1   1zuf.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     simple             100   parsed_1zuf   1   
        1   1zuf.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_1zuf   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1zuf 
    _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_1zuf   1   
          2   1   .   .   .   parsed_1zuf   1   
          3   1   .   .   .   parsed_1zuf   1   
          4   1   .   .   .   parsed_1zuf   1   
          5   1   .   .   .   parsed_1zuf   1   
          6   1   .   .   .   parsed_1zuf   1   
          7   1   .   .   .   parsed_1zuf   1   
          8   1   .   .   .   parsed_1zuf   1   
          9   1   .   .   .   parsed_1zuf   1   
         10   1   .   .   .   parsed_1zuf   1   
         11   1   .   .   .   parsed_1zuf   1   
         12   1   .   .   .   parsed_1zuf   1   
         13   1   .   .   .   parsed_1zuf   1   
         14   1   .   .   .   parsed_1zuf   1   
         15   1   .   .   .   parsed_1zuf   1   
         16   1   .   .   .   parsed_1zuf   1   
         17   1   .   .   .   parsed_1zuf   1   
         18   1   .   .   .   parsed_1zuf   1   
         19   1   .   .   .   parsed_1zuf   1   
         20   1   .   .   .   parsed_1zuf   1   
         21   1   .   .   .   parsed_1zuf   1   
         22   1   .   .   .   parsed_1zuf   1   
         23   1   .   .   .   parsed_1zuf   1   
         24   1   .   .   .   parsed_1zuf   1   
         25   1   .   .   .   parsed_1zuf   1   
         26   1   .   .   .   parsed_1zuf   1   
         27   1   .   .   .   parsed_1zuf   1   
         28   1   .   .   .   parsed_1zuf   1   
         29   1   .   .   .   parsed_1zuf   1   
         30   1   .   .   .   parsed_1zuf   1   
         31   1   .   .   .   parsed_1zuf   1   
         32   1   .   .   .   parsed_1zuf   1   
         33   1   .   .   .   parsed_1zuf   1   
         34   1   .   .   .   parsed_1zuf   1   
         35   1   .   .   .   parsed_1zuf   1   
         36   1   .   .   .   parsed_1zuf   1   
         37   1   .   .   .   parsed_1zuf   1   
         38   1   .   .   .   parsed_1zuf   1   
         39   1   .   .   .   parsed_1zuf   1   
         40   1   .   .   .   parsed_1zuf   1   
         41   1   .   .   .   parsed_1zuf   1   
         42   1   .   .   .   parsed_1zuf   1   
         43   1   .   .   .   parsed_1zuf   1   
         44   1   .   .   .   parsed_1zuf   1   
         45   1   .   .   .   parsed_1zuf   1   
         46   1   .   .   .   parsed_1zuf   1   
         47   1   .   .   .   parsed_1zuf   1   
         48   1   .   .   .   parsed_1zuf   1   
         49   1   .   .   .   parsed_1zuf   1   
         50   1   .   .   .   parsed_1zuf   1   
         51   1   .   .   .   parsed_1zuf   1   
         52   1   .   .   .   parsed_1zuf   1   
         53   1   .   .   .   parsed_1zuf   1   
         54   1   .   .   .   parsed_1zuf   1   
         55   1   .   .   .   parsed_1zuf   1   
         56   1   .   .   .   parsed_1zuf   1   
         57   1   .   .   .   parsed_1zuf   1   
         58   1   .   .   .   parsed_1zuf   1   
         59   1   .   .   .   parsed_1zuf   1   
         60   1   .   .   .   parsed_1zuf   1   
         61   1   .   .   .   parsed_1zuf   1   
         62   1   .   .   .   parsed_1zuf   1   
         63   1   .   .   .   parsed_1zuf   1   
         64   1   .   .   .   parsed_1zuf   1   
         65   1   .   .   .   parsed_1zuf   1   
         66   1   .   .   .   parsed_1zuf   1   
         67   1   .   .   .   parsed_1zuf   1   
         68   1   .   .   .   parsed_1zuf   1   
         69   1   .   .   .   parsed_1zuf   1   
         70   1   .   .   .   parsed_1zuf   1   
         71   1   .   .   .   parsed_1zuf   1   
         72   1   .   .   .   parsed_1zuf   1   
         73   1   .   .   .   parsed_1zuf   1   
         74   1   .   .   .   parsed_1zuf   1   
         75   1   .   .   .   parsed_1zuf   1   
         76   1   .   .   .   parsed_1zuf   1   
         77   1   .   .   .   parsed_1zuf   1   
         78   1   .   .   .   parsed_1zuf   1   
         79   1   .   .   .   parsed_1zuf   1   
         80   1   .   .   .   parsed_1zuf   1   
         81   1   .   .   .   parsed_1zuf   1   
         82   1   .   .   .   parsed_1zuf   1   
         83   1   .   .   .   parsed_1zuf   1   
         84   1   .   .   .   parsed_1zuf   1   
         85   1   .   .   .   parsed_1zuf   1   
         86   1   .   .   .   parsed_1zuf   1   
         87   1   .   .   .   parsed_1zuf   1   
         88   1   .   .   .   parsed_1zuf   1   
         89   1   .   .   .   parsed_1zuf   1   
         90   1   .   .   .   parsed_1zuf   1   
         91   1   .   .   .   parsed_1zuf   1   
         92   1   .   .   .   parsed_1zuf   1   
         93   1   .   .   .   parsed_1zuf   1   
         94   1   .   .   .   parsed_1zuf   1   
         95   1   .   .   .   parsed_1zuf   1   
         96   1   .   .   .   parsed_1zuf   1   
         97   1   .   .   .   parsed_1zuf   1   
         98   1   .   .   .   parsed_1zuf   1   
         99   1   .   .   .   parsed_1zuf   1   
        100   1   .   .   .   parsed_1zuf   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   .   .   .   .   .   .   .   .   .   37   .   HN     parsed_1zuf   1   
          1   1   2   .   .   .   .   .   .   .   .   .   34   .   O      parsed_1zuf   1   
          2   1   1   .   .   .   .   .   .   .   .   .   37   .   N      parsed_1zuf   1   
          2   1   2   .   .   .   .   .   .   .   .   .   34   .   O      parsed_1zuf   1   
          3   1   1   .   .   .   .   .   .   .   .   .   17   .   HB*    parsed_1zuf   1   
          3   1   2   .   .   .   .   .   .   .   .   .   21   .   HG*    parsed_1zuf   1   
          4   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_1zuf   1   
          4   1   2   .   .   .   .   .   .   .   .   .   22   .   HD*    parsed_1zuf   1   
          5   1   1   .   .   .   .   .   .   .   .   .   27   .   HE*    parsed_1zuf   1   
          5   1   2   .   .   .   .   .   .   .   .   .   31   .   HD*    parsed_1zuf   1   
          6   1   1   .   .   .   .   .   .   .   .   .   27   .   HE*    parsed_1zuf   1   
          6   1   2   .   .   .   .   .   .   .   .   .   31   .   HE*    parsed_1zuf   1   
          7   1   1   .   .   .   .   .   .   .   .   .   32   .   HB*    parsed_1zuf   1   
          7   1   2   .   .   .   .   .   .   .   .   .   37   .   HB*    parsed_1zuf   1   
          8   1   1   .   .   .   .   .   .   .   .   .   30   .   HB     parsed_1zuf   1   
          8   1   2   .   .   .   .   .   .   .   .   .   39   .   HB*    parsed_1zuf   1   
          9   1   1   .   .   .   .   .   .   .   .   .   30   .   HG2*   parsed_1zuf   1   
          9   1   2   .   .   .   .   .   .   .   .   .   39   .   HB*    parsed_1zuf   1   
         10   1   1   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1zuf   1   
         10   1   2   .   .   .   .   .   .   .   .   .   38   .   HZ*    parsed_1zuf   1   
         11   1   1   .   .   .   .   .   .   .   .   .   27   .   HB2    parsed_1zuf   1   
         11   1   2   .   .   .   .   .   .   .   .   .   39   .   HB2    parsed_1zuf   1   
         12   1   1   .   .   .   .   .   .   .   .   .   27   .   HB2    parsed_1zuf   1   
         12   1   2   .   .   .   .   .   .   .   .   .   39   .   HB1    parsed_1zuf   1   
         13   1   1   .   .   .   .   .   .   .   .   .   27   .   HB1    parsed_1zuf   1   
         13   1   2   .   .   .   .   .   .   .   .   .   39   .   HB2    parsed_1zuf   1   
         14   1   1   .   .   .   .   .   .   .   .   .   27   .   HB1    parsed_1zuf   1   
         14   1   2   .   .   .   .   .   .   .   .   .   39   .   HB1    parsed_1zuf   1   
         15   1   1   .   .   .   .   .   .   .   .   .   27   .   HB*    parsed_1zuf   1   
         15   1   2   .   .   .   .   .   .   .   .   .   39   .   HB*    parsed_1zuf   1   
         16   1   1   .   .   .   .   .   .   .   .   .   27   .   HN     parsed_1zuf   1   
         16   1   2   .   .   .   .   .   .   .   .   .   40   .   HA     parsed_1zuf   1   
         17   1   1   .   .   .   .   .   .   .   .   .   27   .   HN     parsed_1zuf   1   
         17   1   2   .   .   .   .   .   .   .   .   .   41   .   HN     parsed_1zuf   1   
         18   1   1   .   .   .   .   .   .   .   .   .   27   .   HG*    parsed_1zuf   1   
         18   1   2   .   .   .   .   .   .   .   .   .   41   .   HN     parsed_1zuf   1   
         19   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1zuf   1   
         19   1   2   .   .   .   .   .   .   .   .   .   40   .   HA     parsed_1zuf   1   
         20   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1zuf   1   
         20   1   2   .   .   .   .   .   .   .   .   .   40   .   HB2    parsed_1zuf   1   
         21   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1zuf   1   
         21   1   2   .   .   .   .   .   .   .   .   .   40   .   HB1    parsed_1zuf   1   
         22   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1zuf   1   
         22   1   2   .   .   .   .   .   .   .   .   .   40   .   HB*    parsed_1zuf   1   
         23   1   1   .   .   .   .   .   .   .   .   .   26   .   HA     parsed_1zuf   1   
         23   1   2   .   .   .   .   .   .   .   .   .   41   .   HN     parsed_1zuf   1   
         24   1   1   .   .   .   .   .   .   .   .   .   26   .   HD*    parsed_1zuf   1   
         24   1   2   .   .   .   .   .   .   .   .   .   41   .   HA     parsed_1zuf   1   
         25   1   1   .   .   .   .   .   .   .   .   .   16   .   HB2    parsed_1zuf   1   
         25   1   2   .   .   .   .   .   .   .   .   .   32   .   HB2    parsed_1zuf   1   
         26   1   1   .   .   .   .   .   .   .   .   .   16   .   HB2    parsed_1zuf   1   
         26   1   2   .   .   .   .   .   .   .   .   .   32   .   HB1    parsed_1zuf   1   
         27   1   1   .   .   .   .   .   .   .   .   .   16   .   HB1    parsed_1zuf   1   
         27   1   2   .   .   .   .   .   .   .   .   .   32   .   HB2    parsed_1zuf   1   
         28   1   1   .   .   .   .   .   .   .   .   .   16   .   HB1    parsed_1zuf   1   
         28   1   2   .   .   .   .   .   .   .   .   .   32   .   HB1    parsed_1zuf   1   
         29   1   1   .   .   .   .   .   .   .   .   .   16   .   HB*    parsed_1zuf   1   
         29   1   2   .   .   .   .   .   .   .   .   .   32   .   HN     parsed_1zuf   1   
         30   1   1   .   .   .   .   .   .   .   .   .   16   .   HB*    parsed_1zuf   1   
         30   1   2   .   .   .   .   .   .   .   .   .   32   .   HB*    parsed_1zuf   1   
         31   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1zuf   1   
         31   1   2   .   .   .   .   .   .   .   .   .   41   .   HN     parsed_1zuf   1   
         32   1   1   .   .   .   .   .   .   .   .   .   25   .   HD*    parsed_1zuf   1   
         32   1   2   .   .   .   .   .   .   .   .   .   41   .   HN     parsed_1zuf   1   
         33   1   1   .   .   .   .   .   .   .   .   .   21   .   HB*    parsed_1zuf   1   
         33   1   2   .   .   .   .   .   .   .   .   .   38   .   HE*    parsed_1zuf   1   
         34   1   1   .   .   .   .   .   .   .   .   .   25   .   HB*    parsed_1zuf   1   
         34   1   2   .   .   .   .   .   .   .   .   .   42   .   HE*    parsed_1zuf   1   
         35   1   1   .   .   .   .   .   .   .   .   .   12   .   HB2    parsed_1zuf   1   
         35   1   2   .   .   .   .   .   .   .   .   .   30   .   HG2*   parsed_1zuf   1   
         36   1   1   .   .   .   .   .   .   .   .   .   12   .   HB1    parsed_1zuf   1   
         36   1   2   .   .   .   .   .   .   .   .   .   30   .   HG2*   parsed_1zuf   1   
         37   1   1   .   .   .   .   .   .   .   .   .   12   .   HB*    parsed_1zuf   1   
         37   1   2   .   .   .   .   .   .   .   .   .   30   .   HG2*   parsed_1zuf   1   
         38   1   1   .   .   .   .   .   .   .   .   .   12   .   HD2    parsed_1zuf   1   
         38   1   2   .   .   .   .   .   .   .   .   .   30   .   HG2*   parsed_1zuf   1   
         39   1   1   .   .   .   .   .   .   .   .   .   19   .   HN     parsed_1zuf   1   
         39   1   2   .   .   .   .   .   .   .   .   .   37   .   HA     parsed_1zuf   1   
         40   1   1   .   .   .   .   .   .   .   .   .   20   .   HA     parsed_1zuf   1   
         40   1   2   .   .   .   .   .   .   .   .   .   38   .   HE*    parsed_1zuf   1   
         41   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_1zuf   1   
         41   1   2   .   .   .   .   .   .   .   .   .   37   .   HG*    parsed_1zuf   1   
         42   1   1   .   .   .   .   .   .   .   .   .   18   .   HN     parsed_1zuf   1   
         42   1   2   .   .   .   .   .   .   .   .   .   37   .   HE2*   parsed_1zuf   1   
         43   1   1   .   .   .   .   .   .   .   .   .   18   .   HA     parsed_1zuf   1   
         43   1   2   .   .   .   .   .   .   .   .   .   37   .   HE2*   parsed_1zuf   1   
         44   1   1   .   .   .   .   .   .   .   .   .   19   .   HN     parsed_1zuf   1   
         44   1   2   .   .   .   .   .   .   .   .   .   38   .   HN     parsed_1zuf   1   
         45   1   1   .   .   .   .   .   .   .   .   .   19   .   HN     parsed_1zuf   1   
         45   1   2   .   .   .   .   .   .   .   .   .   38   .   HB*    parsed_1zuf   1   
         46   1   1   .   .   .   .   .   .   .   .   .   19   .   HA     parsed_1zuf   1   
         46   1   2   .   .   .   .   .   .   .   .   .   38   .   HN     parsed_1zuf   1   
         47   1   1   .   .   .   .   .   .   .   .   .   19   .   HA     parsed_1zuf   1   
         47   1   2   .   .   .   .   .   .   .   .   .   38   .   HG*    parsed_1zuf   1   
         48   1   1   .   .   .   .   .   .   .   .   .   19   .   HA     parsed_1zuf   1   
         48   1   2   .   .   .   .   .   .   .   .   .   38   .   HE*    parsed_1zuf   1   
         49   1   1   .   .   .   .   .   .   .   .   .   19   .   HA     parsed_1zuf   1   
         49   1   2   .   .   .   .   .   .   .   .   .   38   .   HZ*    parsed_1zuf   1   
         50   1   1   .   .   .   .   .   .   .   .   .   18   .   HA     parsed_1zuf   1   
         50   1   2   .   .   .   .   .   .   .   .   .   38   .   HN     parsed_1zuf   1   
         51   1   1   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1zuf   1   
         51   1   2   .   .   .   .   .   .   .   .   .   30   .   HB     parsed_1zuf   1   
         52   1   1   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1zuf   1   
         52   1   2   .   .   .   .   .   .   .   .   .   30   .   HG2*   parsed_1zuf   1   
         53   1   1   .   .   .   .   .   .   .   .   .   10   .   HH2    parsed_1zuf   1   
         53   1   2   .   .   .   .   .   .   .   .   .   31   .   HE*    parsed_1zuf   1   
         54   1   1   .   .   .   .   .   .   .   .   .   16   .   HB*    parsed_1zuf   1   
         54   1   2   .   .   .   .   .   .   .   .   .   37   .   HB*    parsed_1zuf   1   
         55   1   1   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_1zuf   1   
         55   1   2   .   .   .   .   .   .   .   .   .   38   .   HN     parsed_1zuf   1   
         56   1   1   .   .   .   .   .   .   .   .   .   38   .   HN     parsed_1zuf   1   
         56   1   2   .   .   .   .   .   .   .   .   .   17   .   O      parsed_1zuf   1   
         57   1   1   .   .   .   .   .   .   .   .   .   38   .   N      parsed_1zuf   1   
         57   1   2   .   .   .   .   .   .   .   .   .   17   .   O      parsed_1zuf   1   
         58   1   1   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_1zuf   1   
         58   1   2   .   .   .   .   .   .   .   .   .   38   .   O      parsed_1zuf   1   
         59   1   1   .   .   .   .   .   .   .   .   .   17   .   N      parsed_1zuf   1   
         59   1   2   .   .   .   .   .   .   .   .   .   38   .   O      parsed_1zuf   1   
         60   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_1zuf   1   
         60   1   2   .   .   .   .   .   .   .   .   .   31   .   HN     parsed_1zuf   1   
         61   1   1   .   .   .   .   .   .   .   .   .   16   .   HA     parsed_1zuf   1   
         61   1   2   .   .   .   .   .   .   .   .   .   38   .   HN     parsed_1zuf   1   
         62   1   1   .   .   .   .   .   .   .   .   .    6   .   HG2    parsed_1zuf   1   
         62   1   2   .   .   .   .   .   .   .   .   .   29   .   HE3    parsed_1zuf   1   
         63   1   1   .   .   .   .   .   .   .   .   .    6   .   HG1    parsed_1zuf   1   
         63   1   2   .   .   .   .   .   .   .   .   .   29   .   HE3    parsed_1zuf   1   
         64   1   1   .   .   .   .   .   .   .   .   .    6   .   HE*    parsed_1zuf   1   
         64   1   2   .   .   .   .   .   .   .   .   .   29   .   HA     parsed_1zuf   1   
         65   1   1   .   .   .   .   .   .   .   .   .    6   .   HE*    parsed_1zuf   1   
         65   1   2   .   .   .   .   .   .   .   .   .   29   .   HE3    parsed_1zuf   1   
         66   1   1   .   .   .   .   .   .   .   .   .    7   .   HG*    parsed_1zuf   1   
         66   1   2   .   .   .   .   .   .   .   .   .   30   .   HG2*   parsed_1zuf   1   
         67   1   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_1zuf   1   
         67   1   2   .   .   .   .   .   .   .   .   .   31   .   HE*    parsed_1zuf   1   
         68   1   1   .   .   .   .   .   .   .   .   .    8   .   HB*    parsed_1zuf   1   
         68   1   2   .   .   .   .   .   .   .   .   .   31   .   HD*    parsed_1zuf   1   
         69   1   1   .   .   .   .   .   .   .   .   .    8   .   HB*    parsed_1zuf   1   
         69   1   2   .   .   .   .   .   .   .   .   .   31   .   HE*    parsed_1zuf   1   
         70   1   1   .   .   .   .   .   .   .   .   .   16   .   HB*    parsed_1zuf   1   
         70   1   2   .   .   .   .   .   .   .   .   .   39   .   HB*    parsed_1zuf   1   
         71   1   1   .   .   .   .   .   .   .   .   .   17   .   HB*    parsed_1zuf   1   
         71   1   2   .   .   .   .   .   .   .   .   .   40   .   HN     parsed_1zuf   1   
         72   1   1   .   .   .   .   .   .   .   .   .   17   .   HB*    parsed_1zuf   1   
         72   1   2   .   .   .   .   .   .   .   .   .   40   .   HB*    parsed_1zuf   1   
         73   1   1   .   .   .   .   .   .   .   .   .    7   .   HN     parsed_1zuf   1   
         73   1   2   .   .   .   .   .   .   .   .   .   31   .   HD*    parsed_1zuf   1   
         74   1   1   .   .   .   .   .   .   .   .   .    7   .   HA     parsed_1zuf   1   
         74   1   2   .   .   .   .   .   .   .   .   .   31   .   HE*    parsed_1zuf   1   
         75   1   1   .   .   .   .   .   .   .   .   .   16   .   HA     parsed_1zuf   1   
         75   1   2   .   .   .   .   .   .   .   .   .   40   .   HN     parsed_1zuf   1   
         76   1   1   .   .   .   .   .   .   .   .   .   31   .   HN     parsed_1zuf   1   
         76   1   2   .   .   .   .   .   .   .   .   .    7   .   O      parsed_1zuf   1   
         77   1   1   .   .   .   .   .   .   .   .   .   31   .   N      parsed_1zuf   1   
         77   1   2   .   .   .   .   .   .   .   .   .    7   .   O      parsed_1zuf   1   
         78   1   1   .   .   .   .   .   .   .   .   .    6   .   HB2    parsed_1zuf   1   
         78   1   2   .   .   .   .   .   .   .   .   .   31   .   HD*    parsed_1zuf   1   
         79   1   1   .   .   .   .   .   .   .   .   .    6   .   HB2    parsed_1zuf   1   
         79   1   2   .   .   .   .   .   .   .   .   .   31   .   HE*    parsed_1zuf   1   
         80   1   1   .   .   .   .   .   .   .   .   .    6   .   HB1    parsed_1zuf   1   
         80   1   2   .   .   .   .   .   .   .   .   .   31   .   HD*    parsed_1zuf   1   
         81   1   1   .   .   .   .   .   .   .   .   .    6   .   HB1    parsed_1zuf   1   
         81   1   2   .   .   .   .   .   .   .   .   .   31   .   HE*    parsed_1zuf   1   
         82   1   1   .   .   .   .   .   .   .   .   .    6   .   HB*    parsed_1zuf   1   
         82   1   2   .   .   .   .   .   .   .   .   .   31   .   HD*    parsed_1zuf   1   
         83   1   1   .   .   .   .   .   .   .   .   .    6   .   HG*    parsed_1zuf   1   
         83   1   2   .   .   .   .   .   .   .   .   .   31   .   HD*    parsed_1zuf   1   
         84   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_1zuf   1   
         84   1   2   .   .   .   .   .   .   .   .   .   40   .   HN     parsed_1zuf   1   
         85   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_1zuf   1   
         85   1   2   .   .   .   .   .   .   .   .   .   40   .   HB*    parsed_1zuf   1   
         86   1   1   .   .   .   .   .   .   .   .   .   15   .   HB     parsed_1zuf   1   
         86   1   2   .   .   .   .   .   .   .   .   .   40   .   HN     parsed_1zuf   1   
         87   1   1   .   .   .   .   .   .   .   .   .   15   .   HB     parsed_1zuf   1   
         87   1   2   .   .   .   .   .   .   .   .   .   40   .   HB*    parsed_1zuf   1   
         88   1   1   .   .   .   .   .   .   .   .   .   15   .   HG1*   parsed_1zuf   1   
         88   1   2   .   .   .   .   .   .   .   .   .   40   .   HB2    parsed_1zuf   1   
         89   1   1   .   .   .   .   .   .   .   .   .   15   .   HG1*   parsed_1zuf   1   
         89   1   2   .   .   .   .   .   .   .   .   .   40   .   HB1    parsed_1zuf   1   
         90   1   1   .   .   .   .   .   .   .   .   .   15   .   HG2*   parsed_1zuf   1   
         90   1   2   .   .   .   .   .   .   .   .   .   40   .   HB2    parsed_1zuf   1   
         91   1   1   .   .   .   .   .   .   .   .   .   15   .   HG2*   parsed_1zuf   1   
         91   1   2   .   .   .   .   .   .   .   .   .   40   .   HB1    parsed_1zuf   1   
         92   1   1   .   .   .   .   .   .   .   .   .   15   .   HG*    parsed_1zuf   1   
         92   1   2   .   .   .   .   .   .   .   .   .   40   .   HB*    parsed_1zuf   1   
         93   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_1zuf   1   
         93   1   2   .   .   .   .   .   .   .   .   .   40   .   O      parsed_1zuf   1   
         94   1   1   .   .   .   .   .   .   .   .   .   15   .   N      parsed_1zuf   1   
         94   1   2   .   .   .   .   .   .   .   .   .   40   .   O      parsed_1zuf   1   
         95   1   1   .   .   .   .   .   .   .   .   .   40   .   HN     parsed_1zuf   1   
         95   1   2   .   .   .   .   .   .   .   .   .   15   .   O      parsed_1zuf   1   
         96   1   1   .   .   .   .   .   .   .   .   .   40   .   N      parsed_1zuf   1   
         96   1   2   .   .   .   .   .   .   .   .   .   15   .   O      parsed_1zuf   1   
         97   1   1   .   .   .   .   .   .   .   .   .   15   .   HB     parsed_1zuf   1   
         97   1   2   .   .   .   .   .   .   .   .   .   42   .   HD*    parsed_1zuf   1   
         98   1   1   .   .   .   .   .   .   .   .   .   15   .   HG*    parsed_1zuf   1   
         98   1   2   .   .   .   .   .   .   .   .   .   42   .   HA     parsed_1zuf   1   
         99   1   1   .   .   .   .   .   .   .   .   .    9   .   HB*    parsed_1zuf   1   
         99   1   2   .   .   .   .   .   .   .   .   .   42   .   HD*    parsed_1zuf   1   
        100   1   1   .   .   .   .   .   .   .   .   .    9   .   HB*    parsed_1zuf   1   
        100   1   2   .   .   .   .   .   .   .   .   .   42   .   HE*    parsed_1zuf   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   .   .   .   .   .   2.20   2.00   2.20   parsed_1zuf   1   
          2   1   .   .   .   .   .   3.20   2.90   3.20   parsed_1zuf   1   
          3   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
          4   1   .   .   .   .   .   0.00   0.00   6.38   parsed_1zuf   1   
          5   1   .   .   .   .   .   0.00   0.00   7.68   parsed_1zuf   1   
          6   1   .   .   .   .   .   0.00   0.00   8.66   parsed_1zuf   1   
          7   1   .   .   .   .   .   0.00   0.00   5.67   parsed_1zuf   1   
          8   1   .   .   .   .   .   0.00   0.00   5.54   parsed_1zuf   1   
          9   1   .   .   .   .   .   0.00   0.00   7.40   parsed_1zuf   1   
         10   1   .   .   .   .   .   0.00   0.00   6.31   parsed_1zuf   1   
         11   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         12   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         13   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         14   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         15   1   .   .   .   .   .   0.00   0.00   6.32   parsed_1zuf   1   
         16   1   .   .   .   .   .   0.00   0.00   3.58   parsed_1zuf   1   
         17   1   .   .   .   .   .   0.00   0.00   4.45   parsed_1zuf   1   
         18   1   .   .   .   .   .   0.00   0.00   5.82   parsed_1zuf   1   
         19   1   .   .   .   .   .   0.00   0.00   4.82   parsed_1zuf   1   
         20   1   .   .   .   .   .   0.00   0.00   5.50   parsed_1zuf   1   
         21   1   .   .   .   .   .   0.00   0.00   5.50   parsed_1zuf   1   
         22   1   .   .   .   .   .   0.00   0.00   4.71   parsed_1zuf   1   
         23   1   .   .   .   .   .   0.00   0.00   4.72   parsed_1zuf   1   
         24   1   .   .   .   .   .   0.00   0.00   6.38   parsed_1zuf   1   
         25   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         26   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         27   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         28   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         29   1   .   .   .   .   .   0.00   0.00   5.42   parsed_1zuf   1   
         30   1   .   .   .   .   .   0.00   0.00   5.71   parsed_1zuf   1   
         31   1   .   .   .   .   .   0.00   0.00   3.64   parsed_1zuf   1   
         32   1   .   .   .   .   .   0.00   0.00   6.38   parsed_1zuf   1   
         33   1   .   .   .   .   .   0.00   0.00   6.14   parsed_1zuf   1   
         34   1   .   .   .   .   .   0.00   0.00   8.51   parsed_1zuf   1   
         35   1   .   .   .   .   .   0.00   0.00   6.53   parsed_1zuf   1   
         36   1   .   .   .   .   .   0.00   0.00   6.53   parsed_1zuf   1   
         37   1   .   .   .   .   .   0.00   0.00   6.13   parsed_1zuf   1   
         38   1   .   .   .   .   .   0.00   0.00   5.54   parsed_1zuf   1   
         39   1   .   .   .   .   .   0.00   0.00   3.17   parsed_1zuf   1   
         40   1   .   .   .   .   .   0.00   0.00   6.38   parsed_1zuf   1   
         41   1   .   .   .   .   .   0.00   0.00   6.38   parsed_1zuf   1   
         42   1   .   .   .   .   .   0.00   0.00   6.37   parsed_1zuf   1   
         43   1   .   .   .   .   .   0.00   0.00   6.37   parsed_1zuf   1   
         44   1   .   .   .   .   .   0.00   0.00   3.79   parsed_1zuf   1   
         45   1   .   .   .   .   .   0.00   0.00   5.94   parsed_1zuf   1   
         46   1   .   .   .   .   .   0.00   0.00   3.95   parsed_1zuf   1   
         47   1   .   .   .   .   .   0.00   0.00   3.83   parsed_1zuf   1   
         48   1   .   .   .   .   .   0.00   0.00   4.83   parsed_1zuf   1   
         49   1   .   .   .   .   .   0.00   0.00   6.31   parsed_1zuf   1   
         50   1   .   .   .   .   .   0.00   0.00   4.04   parsed_1zuf   1   
         51   1   .   .   .   .   .   0.00   0.00   4.48   parsed_1zuf   1   
         52   1   .   .   .   .   .   0.00   0.00   4.14   parsed_1zuf   1   
         53   1   .   .   .   .   .   0.00   0.00   7.63   parsed_1zuf   1   
         54   1   .   .   .   .   .   0.00   0.00   7.25   parsed_1zuf   1   
         55   1   .   .   .   .   .   0.00   0.00   3.33   parsed_1zuf   1   
         56   1   .   .   .   .   .   2.20   2.00   2.20   parsed_1zuf   1   
         57   1   .   .   .   .   .   3.20   2.90   3.20   parsed_1zuf   1   
         58   1   .   .   .   .   .   2.20   2.00   2.20   parsed_1zuf   1   
         59   1   .   .   .   .   .   3.20   2.90   3.20   parsed_1zuf   1   
         60   1   .   .   .   .   .   0.00   0.00   4.01   parsed_1zuf   1   
         61   1   .   .   .   .   .   0.00   0.00   4.23   parsed_1zuf   1   
         62   1   .   .   .   .   .   0.00   0.00   5.50   parsed_1zuf   1   
         63   1   .   .   .   .   .   0.00   0.00   5.50   parsed_1zuf   1   
         64   1   .   .   .   .   .   0.00   0.00   5.50   parsed_1zuf   1   
         65   1   .   .   .   .   .   0.00   0.00   5.50   parsed_1zuf   1   
         66   1   .   .   .   .   .   0.00   0.00   7.40   parsed_1zuf   1   
         67   1   .   .   .   .   .   0.00   0.00   7.63   parsed_1zuf   1   
         68   1   .   .   .   .   .   0.00   0.00   8.67   parsed_1zuf   1   
         69   1   .   .   .   .   .   0.00   0.00   7.85   parsed_1zuf   1   
         70   1   .   .   .   .   .   0.00   0.00   6.11   parsed_1zuf   1   
         71   1   .   .   .   .   .   0.00   0.00   6.13   parsed_1zuf   1   
         72   1   .   .   .   .   .   0.00   0.00   6.20   parsed_1zuf   1   
         73   1   .   .   .   .   .   0.00   0.00   7.64   parsed_1zuf   1   
         74   1   .   .   .   .   .   0.00   0.00   7.63   parsed_1zuf   1   
         75   1   .   .   .   .   .   0.00   0.00   3.70   parsed_1zuf   1   
         76   1   .   .   .   .   .   2.20   2.00   2.20   parsed_1zuf   1   
         77   1   .   .   .   .   .   3.20   2.90   3.20   parsed_1zuf   1   
         78   1   .   .   .   .   .   0.00   0.00   7.39   parsed_1zuf   1   
         79   1   .   .   .   .   .   0.00   0.00   7.63   parsed_1zuf   1   
         80   1   .   .   .   .   .   0.00   0.00   7.39   parsed_1zuf   1   
         81   1   .   .   .   .   .   0.00   0.00   7.63   parsed_1zuf   1   
         82   1   .   .   .   .   .   0.00   0.00   6.60   parsed_1zuf   1   
         83   1   .   .   .   .   .   0.00   0.00   8.52   parsed_1zuf   1   
         84   1   .   .   .   .   .   0.00   0.00   3.21   parsed_1zuf   1   
         85   1   .   .   .   .   .   0.00   0.00   4.70   parsed_1zuf   1   
         86   1   .   .   .   .   .   0.00   0.00   5.50   parsed_1zuf   1   
         87   1   .   .   .   .   .   0.00   0.00   6.38   parsed_1zuf   1   
         88   1   .   .   .   .   .   0.00   0.00   9.65   parsed_1zuf   1   
         89   1   .   .   .   .   .   0.00   0.00   9.65   parsed_1zuf   1   
         90   1   .   .   .   .   .   0.00   0.00   9.65   parsed_1zuf   1   
         91   1   .   .   .   .   .   0.00   0.00   9.65   parsed_1zuf   1   
         92   1   .   .   .   .   .   0.00   0.00   7.93   parsed_1zuf   1   
         93   1   .   .   .   .   .   2.20   2.00   2.20   parsed_1zuf   1   
         94   1   .   .   .   .   .   3.20   2.90   3.20   parsed_1zuf   1   
         95   1   .   .   .   .   .   2.20   2.00   2.20   parsed_1zuf   1   
         96   1   .   .   .   .   .   3.20   2.90   3.20   parsed_1zuf   1   
         97   1   .   .   .   .   .   0.00   0.00   7.64   parsed_1zuf   1   
         98   1   .   .   .   .   .   0.00   0.00   6.01   parsed_1zuf   1   
         99   1   .   .   .   .   .   0.00   0.00   6.59   parsed_1zuf   1   
        100   1   .   .   .   .   .   0.00   0.00   8.51   parsed_1zuf   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 bond"                  1   1     1   16   parsed_1zuf   1   
         2   "hydrogen bond"                  4   1     4   16   parsed_1zuf   1   
         3   
;
total in this range:     12
range |i-j| =     4
;
     7   1     8   22   parsed_1zuf   1   
         4   
;
total in this range:      4
range |i-j| =     5
;
    14   1    15   22   parsed_1zuf   1   
         5   
;
total in this range:      1
range |i-j| =     9
;
    18   1    19   22   parsed_1zuf   1   
         6   
;
total in this range:      2
range |i-j| =    10
;
    23   1    24   22   parsed_1zuf   1   
         7   
;
total in this range:      1
range |i-j| =    12
;
    27   1    28   22   parsed_1zuf   1   
         8   
;
total in this range:      5
range |i-j| =    13
;
    35   1    36   22   parsed_1zuf   1   
         9   
;
total in this range:      1
range |i-j| =    14
;
    39   1    40   22   parsed_1zuf   1   
        10   
;
total in this range:      2
range |i-j| =    15
;
    44   1    45   22   parsed_1zuf   1   
        11   
;
total in this range:      6
range |i-j| =    16
;
    53   1    54   22   parsed_1zuf   1   
        12   
;
total in this range:     14
range |i-j| =    17
;
    64   1    65   22   parsed_1zuf   1   
        13   
;
total in this range:      2
range |i-j| =    18
;
    69   1    70   22   parsed_1zuf   1   
        14   
;
total in this range:      6
range |i-j| =    19
;
    78   1    79   22   parsed_1zuf   1   
        15   
;
total in this range:      9
range |i-j| =    20
;
    90   1    91   22   parsed_1zuf   1   
        16   
;
total in this range:      1
range |i-j| =    21
;
    94   1    95   22   parsed_1zuf   1   
        17   "hydrogen bond"                102   1   102   16   parsed_1zuf   1   
        18   "hydrogen bond"                105   1   105   16   parsed_1zuf   1   
        19   "hydrogen bond"                108   1   108   16   parsed_1zuf   1   
        20   "hydrogen bond"                111   1   111   16   parsed_1zuf   1   
        21   
;
total in this range:      9
range |i-j| =    22
;
   114   1   115   22   parsed_1zuf   1   
        22   
;
total in this range:      2
range |i-j| =    23
;
   119   1   120   22   parsed_1zuf   1   
        23   
;
total in this range:     11
range |i-j| =    24
;
   133   1   134   22   parsed_1zuf   1   
        24   "hydrogen bond"                139   1   139   16   parsed_1zuf   1   
        25   "hydrogen bond"                142   1   142   16   parsed_1zuf   1   
        26   
;
total in this range:      5
range |i-j| =    25
;
   145   1   146   22   parsed_1zuf   1   
        27   "hydrogen bond"                163   1   163   16   parsed_1zuf   1   
        28   "hydrogen bond"                166   1   166   16   parsed_1zuf   1   
        29   "hydrogen bond"                169   1   169   16   parsed_1zuf   1   
        30   "hydrogen bond"                172   1   172   16   parsed_1zuf   1   
        31   
;
total in this range:     19
range |i-j| =    27
;
   175   1   176   22   parsed_1zuf   1   
        32   
;
total in this range:      2
range |i-j| =    30
total in this range:      3
range |i-j| =    33
;
   179   1   182   22   parsed_1zuf   1   
        33   
;
total in this range:      2
total constraints:      453
;
   186   1   187   30   parsed_1zuf   1   
        34   "echo=true endset wrnlev=5"    189   1   189   33   parsed_1zuf   1   
    stop_

save_





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