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
636885 6if9 cing 2-parsed STAR distance hydrogen bond simple 112


data_6if9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6if9 
    _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_6if9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6if9 
    _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   6if9   "Master copy"    parsed_6if9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6if9 
    _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   6if9.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_6if9   1   
        1   6if9.mr   .   .    DYANA/DIANA   2    distance                 "hydrogen bond"      simple             112   parsed_6if9   1   
        1   6if9.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple               0   parsed_6if9   1   
        1   6if9.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_6if9   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_6if9 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _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_6if9   1   
          2   1   .   .   .   parsed_6if9   1   
          3   1   .   .   .   parsed_6if9   1   
          4   1   .   .   .   parsed_6if9   1   
          5   1   .   .   .   parsed_6if9   1   
          6   1   .   .   .   parsed_6if9   1   
          7   1   .   .   .   parsed_6if9   1   
          8   1   .   .   .   parsed_6if9   1   
          9   1   .   .   .   parsed_6if9   1   
         10   1   .   .   .   parsed_6if9   1   
         11   1   .   .   .   parsed_6if9   1   
         12   1   .   .   .   parsed_6if9   1   
         13   1   .   .   .   parsed_6if9   1   
         14   1   .   .   .   parsed_6if9   1   
         15   1   .   .   .   parsed_6if9   1   
         16   1   .   .   .   parsed_6if9   1   
         17   1   .   .   .   parsed_6if9   1   
         18   1   .   .   .   parsed_6if9   1   
         19   1   .   .   .   parsed_6if9   1   
         20   1   .   .   .   parsed_6if9   1   
         21   1   .   .   .   parsed_6if9   1   
         22   1   .   .   .   parsed_6if9   1   
         23   1   .   .   .   parsed_6if9   1   
         24   1   .   .   .   parsed_6if9   1   
         25   1   .   .   .   parsed_6if9   1   
         26   1   .   .   .   parsed_6if9   1   
         27   1   .   .   .   parsed_6if9   1   
         28   1   .   .   .   parsed_6if9   1   
         29   1   .   .   .   parsed_6if9   1   
         30   1   .   .   .   parsed_6if9   1   
         31   1   .   .   .   parsed_6if9   1   
         32   1   .   .   .   parsed_6if9   1   
         33   1   .   .   .   parsed_6if9   1   
         34   1   .   .   .   parsed_6if9   1   
         35   1   .   .   .   parsed_6if9   1   
         36   1   .   .   .   parsed_6if9   1   
         37   1   .   .   .   parsed_6if9   1   
         38   1   .   .   .   parsed_6if9   1   
         39   1   .   .   .   parsed_6if9   1   
         40   1   .   .   .   parsed_6if9   1   
         41   1   .   .   .   parsed_6if9   1   
         42   1   .   .   .   parsed_6if9   1   
         43   1   .   .   .   parsed_6if9   1   
         44   1   .   .   .   parsed_6if9   1   
         45   1   .   .   .   parsed_6if9   1   
         46   1   .   .   .   parsed_6if9   1   
         47   1   .   .   .   parsed_6if9   1   
         48   1   .   .   .   parsed_6if9   1   
         49   1   .   .   .   parsed_6if9   1   
         50   1   .   .   .   parsed_6if9   1   
         51   1   .   .   .   parsed_6if9   1   
         52   1   .   .   .   parsed_6if9   1   
         53   1   .   .   .   parsed_6if9   1   
         54   1   .   .   .   parsed_6if9   1   
         55   1   .   .   .   parsed_6if9   1   
         56   1   .   .   .   parsed_6if9   1   
         57   1   .   .   .   parsed_6if9   1   
         58   1   .   .   .   parsed_6if9   1   
         59   1   .   .   .   parsed_6if9   1   
         60   1   .   .   .   parsed_6if9   1   
         61   1   .   .   .   parsed_6if9   1   
         62   1   .   .   .   parsed_6if9   1   
         63   1   .   .   .   parsed_6if9   1   
         64   1   .   .   .   parsed_6if9   1   
         65   1   .   .   .   parsed_6if9   1   
         66   1   .   .   .   parsed_6if9   1   
         67   1   .   .   .   parsed_6if9   1   
         68   1   .   .   .   parsed_6if9   1   
         69   1   .   .   .   parsed_6if9   1   
         70   1   .   .   .   parsed_6if9   1   
         71   1   .   .   .   parsed_6if9   1   
         72   1   .   .   .   parsed_6if9   1   
         73   1   .   .   .   parsed_6if9   1   
         74   1   .   .   .   parsed_6if9   1   
         75   1   .   .   .   parsed_6if9   1   
         76   1   .   .   .   parsed_6if9   1   
         77   1   .   .   .   parsed_6if9   1   
         78   1   .   .   .   parsed_6if9   1   
         79   1   .   .   .   parsed_6if9   1   
         80   1   .   .   .   parsed_6if9   1   
         81   1   .   .   .   parsed_6if9   1   
         82   1   .   .   .   parsed_6if9   1   
         83   1   .   .   .   parsed_6if9   1   
         84   1   .   .   .   parsed_6if9   1   
         85   1   .   .   .   parsed_6if9   1   
         86   1   .   .   .   parsed_6if9   1   
         87   1   .   .   .   parsed_6if9   1   
         88   1   .   .   .   parsed_6if9   1   
         89   1   .   .   .   parsed_6if9   1   
         90   1   .   .   .   parsed_6if9   1   
         91   1   .   .   .   parsed_6if9   1   
         92   1   .   .   .   parsed_6if9   1   
         93   1   .   .   .   parsed_6if9   1   
         94   1   .   .   .   parsed_6if9   1   
         95   1   .   .   .   parsed_6if9   1   
         96   1   .   .   .   parsed_6if9   1   
         97   1   .   .   .   parsed_6if9   1   
         98   1   .   .   .   parsed_6if9   1   
         99   1   .   .   .   parsed_6if9   1   
        100   1   .   .   .   parsed_6if9   1   
        101   1   .   .   .   parsed_6if9   1   
        102   1   .   .   .   parsed_6if9   1   
        103   1   .   .   .   parsed_6if9   1   
        104   1   .   .   .   parsed_6if9   1   
        105   1   .   .   .   parsed_6if9   1   
        106   1   .   .   .   parsed_6if9   1   
        107   1   .   .   .   parsed_6if9   1   
        108   1   .   .   .   parsed_6if9   1   
        109   1   .   .   .   parsed_6if9   1   
        110   1   .   .   .   parsed_6if9   1   
        111   1   .   .   .   parsed_6if9   1   
        112   1   .   .   .   parsed_6if9   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   .   .   .   .   .   .   .   .   .    44   GLY   O     parsed_6if9   1   
          1   1   2   .   .   .   .   .   .   .   .   .     7   LYS   H     parsed_6if9   1   
          2   1   1   .   .   .   .   .   .   .   .   .    23   CYS   O     parsed_6if9   1   
          2   1   2   .   .   .   .   .   .   .   .   .     8   ILE   H     parsed_6if9   1   
          3   1   1   .   .   .   .   .   .   .   .   .    41   LYS   O     parsed_6if9   1   
          3   1   2   .   .   .   .   .   .   .   .   .     9   THR   H     parsed_6if9   1   
          4   1   1   .   .   .   .   .   .   .   .   .    21   TYR   O     parsed_6if9   1   
          4   1   2   .   .   .   .   .   .   .   .   .    10   PHE   H     parsed_6if9   1   
          5   1   1   .   .   .   .   .   .   .   .   .    39   SER   O     parsed_6if9   1   
          5   1   2   .   .   .   .   .   .   .   .   .    11   TYR   H     parsed_6if9   1   
          6   1   1   .   .   .   .   .   .   .   .   .    19   ARG   O     parsed_6if9   1   
          6   1   2   .   .   .   .   .   .   .   .   .    12   GLU   H     parsed_6if9   1   
          7   1   1   .   .   .   .   .   .   .   .   .    17   GLN   O     parsed_6if9   1   
          7   1   2   .   .   .   .   .   .   .   .   .    13   ASP   H     parsed_6if9   1   
          8   1   1   .   .   .   .   .   .   .   .   .    68   PRO   O     parsed_6if9   1   
          8   1   2   .   .   .   .   .   .   .   .   .    15   ASN   H     parsed_6if9   1   
          9   1   1   .   .   .   .   .   .   .   .   .    39   SER   OG    parsed_6if9   1   
          9   1   2   .   .   .   .   .   .   .   .   .    16   PHE   H     parsed_6if9   1   
         10   1   1   .   .   .   .   .   .   .   .   .    14   LYS   O     parsed_6if9   1   
         10   1   2   .   .   .   .   .   .   .   .   .    17   GLN   H     parsed_6if9   1   
         11   1   1   .   .   .   .   .   .   .   .   .    10   PHE   O     parsed_6if9   1   
         11   1   2   .   .   .   .   .   .   .   .   .    21   TYR   H     parsed_6if9   1   
         12   1   1   .   .   .   .   .   .   .   .   .     8   ILE   O     parsed_6if9   1   
         12   1   2   .   .   .   .   .   .   .   .   .    23   CYS   H     parsed_6if9   1   
         13   1   1   .   .   .   .   .   .   .   .   .    26   ASP   O     parsed_6if9   1   
         13   1   2   .   .   .   .   .   .   .   .   .    25   CYS   HG    parsed_6if9   1   
         14   1   1   .   .   .   .   .   .   .   .   .    83   CYS   O     parsed_6if9   1   
         14   1   2   .   .   .   .   .   .   .   .   .    27   CYS   H     parsed_6if9   1   
         15   1   1   .   .   .   .   .   .   .   .   .    81   SER   O     parsed_6if9   1   
         15   1   2   .   .   .   .   .   .   .   .   .    30   PHE   H     parsed_6if9   1   
         16   1   1   .   .   .   .   .   .   .   .   .    29   ASP   OD1   parsed_6if9   1   
         16   1   2   .   .   .   .   .   .   .   .   .    31   HIS   H     parsed_6if9   1   
         17   1   1   .   .   .   .   .   .   .   .   .    30   PHE   O     parsed_6if9   1   
         17   1   2   .   .   .   .   .   .   .   .   .    33   TYR   H     parsed_6if9   1   
         18   1   1   .   .   .   .   .   .   .   .   .    30   PHE   O     parsed_6if9   1   
         18   1   2   .   .   .   .   .   .   .   .   .    34   LEU   H     parsed_6if9   1   
         19   1   1   .   .   .   .   .   .   .   .   .    12   GLU   O     parsed_6if9   1   
         19   1   2   .   .   .   .   .   .   .   .   .    36   ARG   HE    parsed_6if9   1   
         20   1   1   .   .   .   .   .   .   .   .   .    13   ASP   OD1   parsed_6if9   1   
         20   1   2   .   .   .   .   .   .   .   .   .    36   ARG   HE    parsed_6if9   1   
         21   1   1   .   .   .   .   .   .   .   .   .    78   ASP   O     parsed_6if9   1   
         21   1   2   .   .   .   .   .   .   .   .   .    37   CYS   H     parsed_6if9   1   
         22   1   1   .   .   .   .   .   .   .   .   .    11   TYR   O     parsed_6if9   1   
         22   1   2   .   .   .   .   .   .   .   .   .    38   ASN   H     parsed_6if9   1   
         23   1   1   .   .   .   .   .   .   .   .   .    11   TYR   O     parsed_6if9   1   
         23   1   2   .   .   .   .   .   .   .   .   .    39   SER   H     parsed_6if9   1   
         24   1   1   .   .   .   .   .   .   .   .   .    13   ASP   O     parsed_6if9   1   
         24   1   2   .   .   .   .   .   .   .   .   .    39   SER   HG    parsed_6if9   1   
         25   1   1   .   .   .   .   .   .   .   .   .    67   TYR   O     parsed_6if9   1   
         25   1   2   .   .   .   .   .   .   .   .   .    40   ILE   H     parsed_6if9   1   
         26   1   1   .   .   .   .   .   .   .   .   .     9   THR   O     parsed_6if9   1   
         26   1   2   .   .   .   .   .   .   .   .   .    41   LYS   H     parsed_6if9   1   
         27   1   1   .   .   .   .   .   .   .   .   .    65   GLY   O     parsed_6if9   1   
         27   1   2   .   .   .   .   .   .   .   .   .    42   VAL   H     parsed_6if9   1   
         28   1   1   .   .   .   .   .   .   .   .   .     7   LYS   O     parsed_6if9   1   
         28   1   2   .   .   .   .   .   .   .   .   .    43   GLU   H     parsed_6if9   1   
         29   1   1   .   .   .   .   .   .   .   .   .     7   LYS   O     parsed_6if9   1   
         29   1   2   .   .   .   .   .   .   .   .   .    44   GLY   H     parsed_6if9   1   
         30   1   1   .   .   .   .   .   .   .   .   .    62   LEU   O     parsed_6if9   1   
         30   1   2   .   .   .   .   .   .   .   .   .    47   TRP   H     parsed_6if9   1   
         31   1   1   .   .   .   .   .   .   .   .   .    84   ARG   O     parsed_6if9   1   
         31   1   2   .   .   .   .   .   .   .   .   .    48   ALA   H     parsed_6if9   1   
         32   1   1   .   .   .   .   .   .   .   .   .    60   TYR   O     parsed_6if9   1   
         32   1   2   .   .   .   .   .   .   .   .   .    49   VAL   H     parsed_6if9   1   
         33   1   1   .   .   .   .   .   .   .   .   .    82   SER   O     parsed_6if9   1   
         33   1   2   .   .   .   .   .   .   .   .   .    50   TYR   H     parsed_6if9   1   
         34   1   1   .   .   .   .   .   .   .   .   .    58   TYR   O     parsed_6if9   1   
         34   1   2   .   .   .   .   .   .   .   .   .    51   GLU   H     parsed_6if9   1   
         35   1   1   .   .   .   .   .   .   .   .   .    56   ALA   O     parsed_6if9   1   
         35   1   2   .   .   .   .   .   .   .   .   .    52   ARG   H     parsed_6if9   1   
         36   1   1   .   .   .   .   .   .   .   .   .    28   ALA   O     parsed_6if9   1   
         36   1   2   .   .   .   .   .   .   .   .   .    54   ASN   H     parsed_6if9   1   
         37   1   1   .   .   .   .   .   .   .   .   .    82   SER   OG    parsed_6if9   1   
         37   1   2   .   .   .   .   .   .   .   .   .    55   PHE   H     parsed_6if9   1   
         38   1   1   .   .   .   .   .   .   .   .   .    51   GLU   OE1   parsed_6if9   1   
         38   1   2   .   .   .   .   .   .   .   .   .    58   TYR   H     parsed_6if9   1   
         39   1   1   .   .   .   .   .   .   .   .   .    49   VAL   O     parsed_6if9   1   
         39   1   2   .   .   .   .   .   .   .   .   .    60   TYR   H     parsed_6if9   1   
         40   1   1   .   .   .   .   .   .   .   .   .   149   GLN   OE1   parsed_6if9   1   
         40   1   2   .   .   .   .   .   .   .   .   .    61   ILE   H     parsed_6if9   1   
         41   1   1   .   .   .   .   .   .   .   .   .    47   TRP   O     parsed_6if9   1   
         41   1   2   .   .   .   .   .   .   .   .   .    62   LEU   H     parsed_6if9   1   
         42   1   1   .   .   .   .   .   .   .   .   .    42   VAL   O     parsed_6if9   1   
         42   1   2   .   .   .   .   .   .   .   .   .    65   GLY   H     parsed_6if9   1   
         43   1   1   .   .   .   .   .   .   .   .   .    40   ILE   O     parsed_6if9   1   
         43   1   2   .   .   .   .   .   .   .   .   .    67   TYR   H     parsed_6if9   1   
         44   1   1   .   .   .   .   .   .   .   .   .    63   PRO   O     parsed_6if9   1   
         44   1   2   .   .   .   .   .   .   .   .   .    67   TYR   HH    parsed_6if9   1   
         45   1   1   .   .   .   .   .   .   .   .   .    69   GLU   O     parsed_6if9   1   
         45   1   2   .   .   .   .   .   .   .   .   .    72   ARG   H     parsed_6if9   1   
         46   1   1   .   .   .   .   .   .   .   .   .    70   TYR   O     parsed_6if9   1   
         46   1   2   .   .   .   .   .   .   .   .   .    73   TRP   H     parsed_6if9   1   
         47   1   1   .   .   .   .   .   .   .   .   .    71   GLN   O     parsed_6if9   1   
         47   1   2   .   .   .   .   .   .   .   .   .    74   MET   H     parsed_6if9   1   
         48   1   1   .   .   .   .   .   .   .   .   .    70   TYR   O     parsed_6if9   1   
         48   1   2   .   .   .   .   .   .   .   .   .    75   GLY   H     parsed_6if9   1   
         49   1   1   .   .   .   .   .   .   .   .   .    60   TYR   OH    parsed_6if9   1   
         49   1   2   .   .   .   .   .   .   .   .   .    76   LEU   H     parsed_6if9   1   
         50   1   1   .   .   .   .   .   .   .   .   .    77   ASN   OD1   parsed_6if9   1   
         50   1   2   .   .   .   .   .   .   .   .   .    79   ARG   H     parsed_6if9   1   
         51   1   1   .   .   .   .   .   .   .   .   .    50   TYR   O     parsed_6if9   1   
         51   1   2   .   .   .   .   .   .   .   .   .    81   SER   H     parsed_6if9   1   
         52   1   1   .   .   .   .   .   .   .   .   .    31   HIS   NE2   parsed_6if9   1   
         52   1   2   .   .   .   .   .   .   .   .   .    81   SER   HG    parsed_6if9   1   
         53   1   1   .   .   .   .   .   .   .   .   .    50   TYR   O     parsed_6if9   1   
         53   1   2   .   .   .   .   .   .   .   .   .    82   SER   H     parsed_6if9   1   
         54   1   1   .   .   .   .   .   .   .   .   .    52   ARG   O     parsed_6if9   1   
         54   1   2   .   .   .   .   .   .   .   .   .    82   SER   HG    parsed_6if9   1   
         55   1   1   .   .   .   .   .   .   .   .   .    27   CYS   O     parsed_6if9   1   
         55   1   2   .   .   .   .   .   .   .   .   .    83   CYS   H     parsed_6if9   1   
         56   1   1   .   .   .   .   .   .   .   .   .    48   ALA   O     parsed_6if9   1   
         56   1   2   .   .   .   .   .   .   .   .   .    84   ARG   H     parsed_6if9   1   
         57   1   1   .   .   .   .   .   .   .   .   .    46   THR   O     parsed_6if9   1   
         57   1   2   .   .   .   .   .   .   .   .   .    86   VAL   H     parsed_6if9   1   
         58   1   1   .   .   .   .   .   .   .   .   .   111   THR   O     parsed_6if9   1   
         58   1   2   .   .   .   .   .   .   .   .   .    96   ILE   H     parsed_6if9   1   
         59   1   1   .   .   .   .   .   .   .   .   .   131   LYS   O     parsed_6if9   1   
         59   1   2   .   .   .   .   .   .   .   .   .    97   GLN   H     parsed_6if9   1   
         60   1   1   .   .   .   .   .   .   .   .   .   109   TYR   O     parsed_6if9   1   
         60   1   2   .   .   .   .   .   .   .   .   .    98   ILE   H     parsed_6if9   1   
         61   1   1   .   .   .   .   .   .   .   .   .   129   SER   O     parsed_6if9   1   
         61   1   2   .   .   .   .   .   .   .   .   .    99   PHE   H     parsed_6if9   1   
         62   1   1   .   .   .   .   .   .   .   .   .   107   GLN   O     parsed_6if9   1   
         62   1   2   .   .   .   .   .   .   .   .   .   100   GLU   H     parsed_6if9   1   
         63   1   1   .   .   .   .   .   .   .   .   .   105   SER   O     parsed_6if9   1   
         63   1   2   .   .   .   .   .   .   .   .   .   101   LYS   H     parsed_6if9   1   
         64   1   1   .   .   .   .   .   .   .   .   .   158   ARG   O     parsed_6if9   1   
         64   1   2   .   .   .   .   .   .   .   .   .   103   ASP   H     parsed_6if9   1   
         65   1   1   .   .   .   .   .   .   .   .   .   129   SER   OG    parsed_6if9   1   
         65   1   2   .   .   .   .   .   .   .   .   .   104   PHE   H     parsed_6if9   1   
         66   1   1   .   .   .   .   .   .   .   .   .   102   GLY   O     parsed_6if9   1   
         66   1   2   .   .   .   .   .   .   .   .   .   105   SER   H     parsed_6if9   1   
         67   1   1   .   .   .   .   .   .   .   .   .   100   GLU   OE1   parsed_6if9   1   
         67   1   2   .   .   .   .   .   .   .   .   .   107   GLN   H     parsed_6if9   1   
         68   1   1   .   .   .   .   .   .   .   .   .    98   ILE   O     parsed_6if9   1   
         68   1   2   .   .   .   .   .   .   .   .   .   109   TYR   H     parsed_6if9   1   
         69   1   1   .   .   .   .   .   .   .   .   .    96   ILE   O     parsed_6if9   1   
         69   1   2   .   .   .   .   .   .   .   .   .   111   THR   H     parsed_6if9   1   
         70   1   1   .   .   .   .   .   .   .   .   .   173   PHE   O     parsed_6if9   1   
         70   1   2   .   .   .   .   .   .   .   .   .   115   CYS   H     parsed_6if9   1   
         71   1   1   .   .   .   .   .   .   .   .   .   171   GLN   O     parsed_6if9   1   
         71   1   2   .   .   .   .   .   .   .   .   .   118   ILE   H     parsed_6if9   1   
         72   1   1   .   .   .   .   .   .   .   .   .   117   SER   OG    parsed_6if9   1   
         72   1   2   .   .   .   .   .   .   .   .   .   120   GLU   H     parsed_6if9   1   
         73   1   1   .   .   .   .   .   .   .   .   .   117   SER   O     parsed_6if9   1   
         73   1   2   .   .   .   .   .   .   .   .   .   121   GLN   H     parsed_6if9   1   
         74   1   1   .   .   .   .   .   .   .   .   .   118   ILE   O     parsed_6if9   1   
         74   1   2   .   .   .   .   .   .   .   .   .   122   PHE   H     parsed_6if9   1   
         75   1   1   .   .   .   .   .   .   .   .   .   119   MET   O     parsed_6if9   1   
         75   1   2   .   .   .   .   .   .   .   .   .   123   HIS   H     parsed_6if9   1   
         76   1   1   .   .   .   .   .   .   .   .   .   168   PRO   O     parsed_6if9   1   
         76   1   2   .   .   .   .   .   .   .   .   .   127   ILE   H     parsed_6if9   1   
         77   1   1   .   .   .   .   .   .   .   .   .    99   PHE   O     parsed_6if9   1   
         77   1   2   .   .   .   .   .   .   .   .   .   128   HIS   H     parsed_6if9   1   
         78   1   1   .   .   .   .   .   .   .   .   .   101   LYS   O     parsed_6if9   1   
         78   1   2   .   .   .   .   .   .   .   .   .   129   SER   HG    parsed_6if9   1   
         79   1   1   .   .   .   .   .   .   .   .   .   157   TYR   O     parsed_6if9   1   
         79   1   2   .   .   .   .   .   .   .   .   .   130   CYS   H     parsed_6if9   1   
         80   1   1   .   .   .   .   .   .   .   .   .    97   GLN   O     parsed_6if9   1   
         80   1   2   .   .   .   .   .   .   .   .   .   131   LYS   H     parsed_6if9   1   
         81   1   1   .   .   .   .   .   .   .   .   .   155   LYS   O     parsed_6if9   1   
         81   1   2   .   .   .   .   .   .   .   .   .   132   VAL   H     parsed_6if9   1   
         82   1   1   .   .   .   .   .   .   .   .   .    95   LYS   O     parsed_6if9   1   
         82   1   2   .   .   .   .   .   .   .   .   .   133   LEU   H     parsed_6if9   1   
         83   1   1   .   .   .   .   .   .   .   .   .    95   LYS   O     parsed_6if9   1   
         83   1   2   .   .   .   .   .   .   .   .   .   134   GLU   H     parsed_6if9   1   
         84   1   1   .   .   .   .   .   .   .   .   .   152   LEU   O     parsed_6if9   1   
         84   1   2   .   .   .   .   .   .   .   .   .   137   TRP   H     parsed_6if9   1   
         85   1   1   .   .   .   .   .   .   .   .   .   174   ARG   O     parsed_6if9   1   
         85   1   2   .   .   .   .   .   .   .   .   .   138   ILE   H     parsed_6if9   1   
         86   1   1   .   .   .   .   .   .   .   .   .   150   TYR   O     parsed_6if9   1   
         86   1   2   .   .   .   .   .   .   .   .   .   139   PHE   H     parsed_6if9   1   
         87   1   1   .   .   .   .   .   .   .   .   .   172   SER   O     parsed_6if9   1   
         87   1   2   .   .   .   .   .   .   .   .   .   140   TYR   H     parsed_6if9   1   
         88   1   1   .   .   .   .   .   .   .   .   .   148   ARG   O     parsed_6if9   1   
         88   1   2   .   .   .   .   .   .   .   .   .   141   GLU   H     parsed_6if9   1   
         89   1   1   .   .   .   .   .   .   .   .   .   146   ARG   O     parsed_6if9   1   
         89   1   2   .   .   .   .   .   .   .   .   .   142   LEU   H     parsed_6if9   1   
         90   1   1   .   .   .   .   .   .   .   .   .   116   PRO   O     parsed_6if9   1   
         90   1   2   .   .   .   .   .   .   .   .   .   144   ASN   H     parsed_6if9   1   
         91   1   1   .   .   .   .   .   .   .   .   .   172   SER   OG    parsed_6if9   1   
         91   1   2   .   .   .   .   .   .   .   .   .   145   TYR   H     parsed_6if9   1   
         92   1   1   .   .   .   .   .   .   .   .   .   142   LEU   O     parsed_6if9   1   
         92   1   2   .   .   .   .   .   .   .   .   .   146   ARG   H     parsed_6if9   1   
         93   1   1   .   .   .   .   .   .   .   .   .   141   GLU   OE1   parsed_6if9   1   
         93   1   2   .   .   .   .   .   .   .   .   .   148   ARG   H     parsed_6if9   1   
         94   1   1   .   .   .   .   .   .   .   .   .   139   PHE   O     parsed_6if9   1   
         94   1   2   .   .   .   .   .   .   .   .   .   150   TYR   H     parsed_6if9   1   
         95   1   1   .   .   .   .   .   .   .   .   .   137   TRP   O     parsed_6if9   1   
         95   1   2   .   .   .   .   .   .   .   .   .   152   LEU   H     parsed_6if9   1   
         96   1   1   .   .   .   .   .   .   .   .   .   132   VAL   O     parsed_6if9   1   
         96   1   2   .   .   .   .   .   .   .   .   .   155   LYS   H     parsed_6if9   1   
         97   1   1   .   .   .   .   .   .   .   .   .   130   CYS   O     parsed_6if9   1   
         97   1   2   .   .   .   .   .   .   .   .   .   155   LYS   H     parsed_6if9   1   
         98   1   1   .   .   .   .   .   .   .   .   .   153   ASP   O     parsed_6if9   1   
         98   1   2   .   .   .   .   .   .   .   .   .   157   TYR   HH    parsed_6if9   1   
         99   1   1   .   .   .   .   .   .   .   .   .   156   GLU   OE1   parsed_6if9   1   
         99   1   2   .   .   .   .   .   .   .   .   .   158   ARG   HE    parsed_6if9   1   
        100   1   1   .   .   .   .   .   .   .   .   .   159   LYS   O     parsed_6if9   1   
        100   1   2   .   .   .   .   .   .   .   .   .   162   ASP   H     parsed_6if9   1   
        101   1   1   .   .   .   .   .   .   .   .   .   160   PRO   O     parsed_6if9   1   
        101   1   2   .   .   .   .   .   .   .   .   .   163   TRP   H     parsed_6if9   1   
        102   1   1   .   .   .   .   .   .   .   .   .   161   ILE   O     parsed_6if9   1   
        102   1   2   .   .   .   .   .   .   .   .   .   164   GLY   H     parsed_6if9   1   
        103   1   1   .   .   .   .   .   .   .   .   .   125   ARG   O     parsed_6if9   1   
        103   1   2   .   .   .   .   .   .   .   .   .   170   VAL   H     parsed_6if9   1   
        104   1   1   .   .   .   .   .   .   .   .   .   140   TYR   O     parsed_6if9   1   
        104   1   2   .   .   .   .   .   .   .   .   .   171   GLN   H     parsed_6if9   1   
        105   1   1   .   .   .   .   .   .   .   .   .   140   TYR   O     parsed_6if9   1   
        105   1   2   .   .   .   .   .   .   .   .   .   172   SER   H     parsed_6if9   1   
        106   1   1   .   .   .   .   .   .   .   .   .   142   LEU   O     parsed_6if9   1   
        106   1   2   .   .   .   .   .   .   .   .   .   172   SER   HG    parsed_6if9   1   
        107   1   1   .   .   .   .   .   .   .   .   .   171   GLN   OE1   parsed_6if9   1   
        107   1   2   .   .   .   .   .   .   .   .   .   172   SER   HG    parsed_6if9   1   
        108   1   1   .   .   .   .   .   .   .   .   .   115   CYS   O     parsed_6if9   1   
        108   1   2   .   .   .   .   .   .   .   .   .   173   PHE   H     parsed_6if9   1   
        109   1   1   .   .   .   .   .   .   .   .   .   138   ILE   O     parsed_6if9   1   
        109   1   2   .   .   .   .   .   .   .   .   .   174   ARG   H     parsed_6if9   1   
        110   1   1   .   .   .   .   .   .   .   .   .   140   TYR   OH    parsed_6if9   1   
        110   1   2   .   .   .   .   .   .   .   .   .   174   ARG   HE    parsed_6if9   1   
        111   1   1   .   .   .   .   .   .   .   .   .   114   ASP   OD1   parsed_6if9   1   
        111   1   2   .   .   .   .   .   .   .   .   .   175   ARG   H     parsed_6if9   1   
        112   1   1   .   .   .   .   .   .   .   .   .   114   ASP   OD1   parsed_6if9   1   
        112   1   2   .   .   .   .   .   .   .   .   .   175   ARG   HE    parsed_6if9   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   .   .   .   .   .   .   .   2.003    parsed_6if9   1   
          2   1   .   .   .   .   .   .   .   2.002    parsed_6if9   1   
          3   1   .   .   .   .   .   .   .   1.975    parsed_6if9   1   
          4   1   .   .   .   .   .   .   .   1.854    parsed_6if9   1   
          5   1   .   .   .   .   .   .   .   1.874    parsed_6if9   1   
          6   1   .   .   .   .   .   .   .   1.747    parsed_6if9   1   
          7   1   .   .   .   .   .   .   .   2.160    parsed_6if9   1   
          8   1   .   .   .   .   .   .   .   1.879    parsed_6if9   1   
          9   1   .   .   .   .   .   .   .   1.896    parsed_6if9   1   
         10   1   .   .   .   .   .   .   .   2.530    parsed_6if9   1   
         11   1   .   .   .   .   .   .   .   2.080    parsed_6if9   1   
         12   1   .   .   .   .   .   .   .   1.867    parsed_6if9   1   
         13   1   .   .   .   .   .   .   .   2.287    parsed_6if9   1   
         14   1   .   .   .   .   .   .   .   1.974    parsed_6if9   1   
         15   1   .   .   .   .   .   .   .   1.910    parsed_6if9   1   
         16   1   .   .   .   .   .   .   .   2.512    parsed_6if9   1   
         17   1   .   .   .   .   .   .   .   1.899    parsed_6if9   1   
         18   1   .   .   .   .   .   .   .   2.530    parsed_6if9   1   
         19   1   .   .   .   .   .   .   .   2.672    parsed_6if9   1   
         20   1   .   .   .   .   .   .   .   2.376    parsed_6if9   1   
         21   1   .   .   .   .   .   .   .   1.863    parsed_6if9   1   
         22   1   .   .   .   .   .   .   .   2.035    parsed_6if9   1   
         23   1   .   .   .   .   .   .   .   2.3565   parsed_6if9   1   
         24   1   .   .   .   .   .   .   .   1.713    parsed_6if9   1   
         25   1   .   .   .   .   .   .   .   2.027    parsed_6if9   1   
         26   1   .   .   .   .   .   .   .   1.996    parsed_6if9   1   
         27   1   .   .   .   .   .   .   .   1.898    parsed_6if9   1   
         28   1   .   .   .   .   .   .   .   1.935    parsed_6if9   1   
         29   1   .   .   .   .   .   .   .   2.3502   parsed_6if9   1   
         30   1   .   .   .   .   .   .   .   1.883    parsed_6if9   1   
         31   1   .   .   .   .   .   .   .   1.934    parsed_6if9   1   
         32   1   .   .   .   .   .   .   .   1.769    parsed_6if9   1   
         33   1   .   .   .   .   .   .   .   1.991    parsed_6if9   1   
         34   1   .   .   .   .   .   .   .   2.257    parsed_6if9   1   
         35   1   .   .   .   .   .   .   .   2.089    parsed_6if9   1   
         36   1   .   .   .   .   .   .   .   1.840    parsed_6if9   1   
         37   1   .   .   .   .   .   .   .   2.068    parsed_6if9   1   
         38   1   .   .   .   .   .   .   .   1.813    parsed_6if9   1   
         39   1   .   .   .   .   .   .   .   1.925    parsed_6if9   1   
         40   1   .   .   .   .   .   .   .   1.958    parsed_6if9   1   
         41   1   .   .   .   .   .   .   .   1.891    parsed_6if9   1   
         42   1   .   .   .   .   .   .   .   2.059    parsed_6if9   1   
         43   1   .   .   .   .   .   .   .   1.918    parsed_6if9   1   
         44   1   .   .   .   .   .   .   .   1.935    parsed_6if9   1   
         45   1   .   .   .   .   .   .   .   1.933    parsed_6if9   1   
         46   1   .   .   .   .   .   .   .   2.215    parsed_6if9   1   
         47   1   .   .   .   .   .   .   .   2.068    parsed_6if9   1   
         48   1   .   .   .   .   .   .   .   1.931    parsed_6if9   1   
         49   1   .   .   .   .   .   .   .   2.024    parsed_6if9   1   
         50   1   .   .   .   .   .   .   .   2.045    parsed_6if9   1   
         51   1   .   .   .   .   .   .   .   1.984    parsed_6if9   1   
         52   1   .   .   .   .   .   .   .   1.813    parsed_6if9   1   
         53   1   .   .   .   .   .   .   .   2.541    parsed_6if9   1   
         54   1   .   .   .   .   .   .   .   1.776    parsed_6if9   1   
         55   1   .   .   .   .   .   .   .   2.050    parsed_6if9   1   
         56   1   .   .   .   .   .   .   .   1.943    parsed_6if9   1   
         57   1   .   .   .   .   .   .   .   1.962    parsed_6if9   1   
         58   1   .   .   .   .   .   .   .   2.279    parsed_6if9   1   
         59   1   .   .   .   .   .   .   .   1.874    parsed_6if9   1   
         60   1   .   .   .   .   .   .   .   2.125    parsed_6if9   1   
         61   1   .   .   .   .   .   .   .   1.902    parsed_6if9   1   
         62   1   .   .   .   .   .   .   .   2.223    parsed_6if9   1   
         63   1   .   .   .   .   .   .   .   2.082    parsed_6if9   1   
         64   1   .   .   .   .   .   .   .   1.891    parsed_6if9   1   
         65   1   .   .   .   .   .   .   .   2.051    parsed_6if9   1   
         66   1   .   .   .   .   .   .   .   2.560    parsed_6if9   1   
         67   1   .   .   .   .   .   .   .   1.899    parsed_6if9   1   
         68   1   .   .   .   .   .   .   .   1.944    parsed_6if9   1   
         69   1   .   .   .   .   .   .   .   1.934    parsed_6if9   1   
         70   1   .   .   .   .   .   .   .   2.078    parsed_6if9   1   
         71   1   .   .   .   .   .   .   .   2.047    parsed_6if9   1   
         72   1   .   .   .   .   .   .   .   2.072    parsed_6if9   1   
         73   1   .   .   .   .   .   .   .   2.170    parsed_6if9   1   
         74   1   .   .   .   .   .   .   .   1.717    parsed_6if9   1   
         75   1   .   .   .   .   .   .   .   1.832    parsed_6if9   1   
         76   1   .   .   .   .   .   .   .   2.130    parsed_6if9   1   
         77   1   .   .   .   .   .   .   .   2.3523   parsed_6if9   1   
         78   1   .   .   .   .   .   .   .   1.711    parsed_6if9   1   
         79   1   .   .   .   .   .   .   .   1.943    parsed_6if9   1   
         80   1   .   .   .   .   .   .   .   2.105    parsed_6if9   1   
         81   1   .   .   .   .   .   .   .   2.003    parsed_6if9   1   
         82   1   .   .   .   .   .   .   .   2.069    parsed_6if9   1   
         83   1   .   .   .   .   .   .   .   2.157    parsed_6if9   1   
         84   1   .   .   .   .   .   .   .   1.990    parsed_6if9   1   
         85   1   .   .   .   .   .   .   .   1.829    parsed_6if9   1   
         86   1   .   .   .   .   .   .   .   1.819    parsed_6if9   1   
         87   1   .   .   .   .   .   .   .   1.963    parsed_6if9   1   
         88   1   .   .   .   .   .   .   .   2.017    parsed_6if9   1   
         89   1   .   .   .   .   .   .   .   1.988    parsed_6if9   1   
         90   1   .   .   .   .   .   .   .   1.791    parsed_6if9   1   
         91   1   .   .   .   .   .   .   .   1.996    parsed_6if9   1   
         92   1   .   .   .   .   .   .   .   2.3574   parsed_6if9   1   
         93   1   .   .   .   .   .   .   .   1.906    parsed_6if9   1   
         94   1   .   .   .   .   .   .   .   1.929    parsed_6if9   1   
         95   1   .   .   .   .   .   .   .   1.732    parsed_6if9   1   
         96   1   .   .   .   .   .   .   .   2.018    parsed_6if9   1   
         97   1   .   .   .   .   .   .   .   2.232    parsed_6if9   1   
         98   1   .   .   .   .   .   .   .   2.030    parsed_6if9   1   
         99   1   .   .   .   .   .   .   .   1.753    parsed_6if9   1   
        100   1   .   .   .   .   .   .   .   1.905    parsed_6if9   1   
        101   1   .   .   .   .   .   .   .   1.998    parsed_6if9   1   
        102   1   .   .   .   .   .   .   .   1.882    parsed_6if9   1   
        103   1   .   .   .   .   .   .   .   2.338    parsed_6if9   1   
        104   1   .   .   .   .   .   .   .   1.771    parsed_6if9   1   
        105   1   .   .   .   .   .   .   .   2.3505   parsed_6if9   1   
        106   1   .   .   .   .   .   .   .   1.868    parsed_6if9   1   
        107   1   .   .   .   .   .   .   .   2.368    parsed_6if9   1   
        108   1   .   .   .   .   .   .   .   2.033    parsed_6if9   1   
        109   1   .   .   .   .   .   .   .   1.900    parsed_6if9   1   
        110   1   .   .   .   .   .   .   .   2.293    parsed_6if9   1   
        111   1   .   .   .   .   .   .   .   1.825    parsed_6if9   1   
        112   1   .   .   .   .   .   .   .   1.858    parsed_6if9   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   "Restraints file 1: G57W_cara.upl"           1   1     1   34   parsed_6if9   1   
         2   "69 GLU  OE2  14 LYS  3HZ        1.800"      9   2     9   39   parsed_6if9   1   
         3   "15 ASN  O    17 GLN  2HE2     1.983"       13   2    13   37   parsed_6if9   1   
         4   "12 GLU  OE2  19 ARG  HE       2.145"       14   2    14   37   parsed_6if9   1   
         5   "12 GLU  OE2  19 ARG  1HH2    2.002"        15   2    15   36   parsed_6if9   1   
         6   "12 GLU  OE2  35 SER  H       1.868"        24   2    24   36   parsed_6if9   1   
         7   "12 GLU  OE2    35 SER  HG      2.293"      25   2    25   38   parsed_6if9   1   
         8   "13 ASP  OD1  36  ARG  1HH2   1.801"        28   2    28   36   parsed_6if9   1   
         9   "13 ASP  OD2  36 ARG  1HH2   2.581"         29   2    29   35   parsed_6if9   1   
        10   "12 GLU  O    38 ASN  2HD2    1.851"        32   2    32   36   parsed_6if9   1   
        11   "78 ASP  OD2  38  ASN  1HD2    2.267"       33   2    33   37   parsed_6if9   1   
        12   "178 GLU  OE1 45 GLY H       2.3563"        41   2    41   36   parsed_6if9   1   
        13   "44 GLY O     47 TRP  HE1     1.996"        43   2    43   36   parsed_6if9   1   
        14   "178 GLU  OE2  64 GLN  H       2.271"       55   2    55   37   parsed_6if9   1   
        15   "51 GLU  OE2  79  ARG  1HH2     1.664"      65   2    65   38   parsed_6if9   1   
        16   "50 TYR OH    84 ARG  1HH1    2.379"        72   2    72   36   parsed_6if9   1   
        17   "26  ASP  OD1 85   ALA  H       1.899"      73   2    73   38   parsed_6if9   1   
        18   "126 GLU  OE1  128 HIS  HE2     1.942"      95   2    95   38   parsed_6if9   1   
        19   "143 PRO  O    146 ARG  1HH1    1.922"     111   2   111   38   parsed_6if9   1   
        20   "103 ASP  OD1  158 ARG  1HH1   1.810"      119   2   119   37   parsed_6if9   1   
        21   "156 GLU  OE1  158 ARG  1HH2   1.944"      120   2   120   37   parsed_6if9   1   
        22   "162 ASP OD2  159 LYS  H      2.501"       121   2   121   36   parsed_6if9   1   
        23   "162 ASP OD1   159 LYS  2HZ     1.525"     122   2   122   38   parsed_6if9   1   
        24   "140 TYR  OH   174 ARG  1HH2   2.283"      134   2   134   37   parsed_6if9   1   
        25   "114 ASP OD2  175 ARG  1HH2  2.159"        137   2   137   35   parsed_6if9   1   
    stop_

save_





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