NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype item_count
613911 5iir 30028 cing 2-parsed STAR distance hydrogen bond ambi 114


data_5iir_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5iir 
    _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_5iir   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5iir 
    _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   5iir   "Master copy"    parsed_5iir   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5iir 
    _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   5iir.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_5iir   1   
        1   5iir.mr   .   .    XPLOR/CNS     2    distance                 "hydrogen bond"      ambi               114   parsed_5iir   1   
        1   5iir.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_5iir   1   
        1   5iir.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple               0   parsed_5iir   1   
        1   5iir.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_5iir   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5iir 
    _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_5iir   1   
          2   1   .   .   .   parsed_5iir   1   
          3   1   .   .   .   parsed_5iir   1   
          4   1   .   .   .   parsed_5iir   1   
          5   1   .   .   .   parsed_5iir   1   
          6   1   .   .   .   parsed_5iir   1   
          7   1   .   .   .   parsed_5iir   1   
          8   1   .   .   .   parsed_5iir   1   
          9   1   .   .   .   parsed_5iir   1   
         10   1   .   .   .   parsed_5iir   1   
         11   1   .   .   .   parsed_5iir   1   
         12   1   .   .   .   parsed_5iir   1   
         13   1   .   .   .   parsed_5iir   1   
         14   1   .   .   .   parsed_5iir   1   
         15   1   .   .   .   parsed_5iir   1   
         16   1   .   .   .   parsed_5iir   1   
         17   1   .   .   .   parsed_5iir   1   
         18   1   .   .   .   parsed_5iir   1   
         19   1   .   .   .   parsed_5iir   1   
         20   1   .   .   .   parsed_5iir   1   
         21   1   .   .   .   parsed_5iir   1   
         22   1   .   .   .   parsed_5iir   1   
         23   1   .   .   .   parsed_5iir   1   
         24   1   .   .   .   parsed_5iir   1   
         25   1   .   .   .   parsed_5iir   1   
         26   1   .   .   .   parsed_5iir   1   
         27   1   .   .   .   parsed_5iir   1   
         28   1   .   .   .   parsed_5iir   1   
         29   1   .   .   .   parsed_5iir   1   
         30   1   .   .   .   parsed_5iir   1   
         31   1   .   .   .   parsed_5iir   1   
         32   1   .   .   .   parsed_5iir   1   
         33   1   .   .   .   parsed_5iir   1   
         34   1   .   .   .   parsed_5iir   1   
         35   1   .   .   .   parsed_5iir   1   
         36   1   .   .   .   parsed_5iir   1   
         37   1   .   .   .   parsed_5iir   1   
         38   1   .   .   .   parsed_5iir   1   
         39   1   .   .   .   parsed_5iir   1   
         40   1   .   .   .   parsed_5iir   1   
         41   1   .   .   .   parsed_5iir   1   
         42   1   .   .   .   parsed_5iir   1   
         43   1   .   .   .   parsed_5iir   1   
         44   1   .   .   .   parsed_5iir   1   
         45   1   .   .   .   parsed_5iir   1   
         46   1   .   .   .   parsed_5iir   1   
         47   1   .   .   .   parsed_5iir   1   
         48   1   .   .   .   parsed_5iir   1   
         49   1   .   .   .   parsed_5iir   1   
         50   1   .   .   .   parsed_5iir   1   
         51   1   .   .   .   parsed_5iir   1   
         52   1   .   .   .   parsed_5iir   1   
         53   1   .   .   .   parsed_5iir   1   
         54   1   .   .   .   parsed_5iir   1   
         55   1   .   .   .   parsed_5iir   1   
         56   1   .   .   .   parsed_5iir   1   
         57   1   .   .   .   parsed_5iir   1   
         58   1   .   .   .   parsed_5iir   1   
         59   1   .   .   .   parsed_5iir   1   
         60   1   .   .   .   parsed_5iir   1   
         61   1   .   .   .   parsed_5iir   1   
         62   1   .   .   .   parsed_5iir   1   
         63   1   .   .   .   parsed_5iir   1   
         64   1   .   .   .   parsed_5iir   1   
         65   1   .   .   .   parsed_5iir   1   
         66   1   .   .   .   parsed_5iir   1   
         67   1   .   .   .   parsed_5iir   1   
         68   1   .   .   .   parsed_5iir   1   
         69   1   .   .   .   parsed_5iir   1   
         70   1   .   .   .   parsed_5iir   1   
         71   1   .   .   .   parsed_5iir   1   
         72   1   .   .   .   parsed_5iir   1   
         73   1   .   .   .   parsed_5iir   1   
         74   1   .   .   .   parsed_5iir   1   
         75   1   .   .   .   parsed_5iir   1   
         76   1   .   .   .   parsed_5iir   1   
         77   1   .   .   .   parsed_5iir   1   
         78   1   .   .   .   parsed_5iir   1   
         79   1   .   .   .   parsed_5iir   1   
         80   1   .   .   .   parsed_5iir   1   
         81   1   .   .   .   parsed_5iir   1   
         82   1   .   .   .   parsed_5iir   1   
         83   1   .   .   .   parsed_5iir   1   
         84   1   .   .   .   parsed_5iir   1   
         85   1   .   .   .   parsed_5iir   1   
         86   1   .   .   .   parsed_5iir   1   
         87   1   .   .   .   parsed_5iir   1   
         88   1   .   .   .   parsed_5iir   1   
         89   1   .   .   .   parsed_5iir   1   
         90   1   .   .   .   parsed_5iir   1   
         91   1   .   .   .   parsed_5iir   1   
         92   1   .   .   .   parsed_5iir   1   
         93   1   .   .   .   parsed_5iir   1   
         94   1   .   .   .   parsed_5iir   1   
         95   1   .   .   .   parsed_5iir   1   
         96   1   .   .   .   parsed_5iir   1   
         97   1   .   .   .   parsed_5iir   1   
         98   1   .   .   .   parsed_5iir   1   
         99   1   .   .   .   parsed_5iir   1   
        100   1   .   .   .   parsed_5iir   1   
        101   1   .   .   .   parsed_5iir   1   
        102   1   .   .   .   parsed_5iir   1   
        103   1   .   .   .   parsed_5iir   1   
        104   1   .   .   .   parsed_5iir   1   
        105   1   .   .   .   parsed_5iir   1   
        106   1   .   .   .   parsed_5iir   1   
        107   1   .   .   .   parsed_5iir   1   
        108   1   .   .   .   parsed_5iir   1   
        109   1   .   .   .   parsed_5iir   1   
        110   1   .   .   .   parsed_5iir   1   
        111   1   .   .   .   parsed_5iir   1   
        112   1   .   .   .   parsed_5iir   1   
        113   1   .   .   .   parsed_5iir   1   
        114   1   .   .   .   parsed_5iir   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"    32   .   HN    parsed_5iir   1   
          1   1   2   .   .   .   .   .   .   .   .   "   A"    28   .   O     parsed_5iir   1   
          2   1   1   .   .   .   .   .   .   .   .   "   A"    31   .   HN    parsed_5iir   1   
          2   1   2   .   .   .   .   .   .   .   .   "   A"    27   .   O     parsed_5iir   1   
          3   1   1   .   .   .   .   .   .   .   .   "   A"    29   .   HN    parsed_5iir   1   
          3   1   2   .   .   .   .   .   .   .   .   "   A"    25   .   O     parsed_5iir   1   
          4   1   1   .   .   .   .   .   .   .   .   "   A"    28   .   HN    parsed_5iir   1   
          4   1   2   .   .   .   .   .   .   .   .   "   A"    24   .   O     parsed_5iir   1   
          5   1   1   .   .   .   .   .   .   .   .   "   A"    27   .   HN    parsed_5iir   1   
          5   1   2   .   .   .   .   .   .   .   .   "   A"    23   .   O     parsed_5iir   1   
          6   1   1   .   .   .   .   .   .   .   .   "   A"    26   .   HN    parsed_5iir   1   
          6   1   2   .   .   .   .   .   .   .   .   "   A"    22   .   O     parsed_5iir   1   
          7   1   1   .   .   .   .   .   .   .   .   "   A"    25   .   HN    parsed_5iir   1   
          7   1   2   .   .   .   .   .   .   .   .   "   A"    21   .   O     parsed_5iir   1   
          8   1   1   .   .   .   .   .   .   .   .   "   A"    24   .   HN    parsed_5iir   1   
          8   1   2   .   .   .   .   .   .   .   .   "   A"    20   .   O     parsed_5iir   1   
          9   1   1   .   .   .   .   .   .   .   .   "   A"    23   .   HN    parsed_5iir   1   
          9   1   2   .   .   .   .   .   .   .   .   "   A"    19   .   O     parsed_5iir   1   
         10   1   1   .   .   .   .   .   .   .   .   "   A"    22   .   HN    parsed_5iir   1   
         10   1   2   .   .   .   .   .   .   .   .   "   A"    18   .   O     parsed_5iir   1   
         11   1   1   .   .   .   .   .   .   .   .   "   A"    21   .   HN    parsed_5iir   1   
         11   1   2   .   .   .   .   .   .   .   .   "   A"    17   .   O     parsed_5iir   1   
         12   1   1   .   .   .   .   .   .   .   .   "   A"    20   .   HN    parsed_5iir   1   
         12   1   2   .   .   .   .   .   .   .   .   "   A"    16   .   O     parsed_5iir   1   
         13   1   1   .   .   .   .   .   .   .   .   "   A"    19   .   HN    parsed_5iir   1   
         13   1   2   .   .   .   .   .   .   .   .   "   A"    15   .   O     parsed_5iir   1   
         14   1   1   .   .   .   .   .   .   .   .   "   A"    18   .   HN    parsed_5iir   1   
         14   1   2   .   .   .   .   .   .   .   .   "   A"    14   .   O     parsed_5iir   1   
         15   1   1   .   .   .   .   .   .   .   .   "   A"    17   .   HN    parsed_5iir   1   
         15   1   2   .   .   .   .   .   .   .   .   "   A"    13   .   O     parsed_5iir   1   
         16   1   1   .   .   .   .   .   .   .   .   "   A"    16   .   HN    parsed_5iir   1   
         16   1   2   .   .   .   .   .   .   .   .   "   A"    12   .   O     parsed_5iir   1   
         17   1   1   .   .   .   .   .   .   .   .   "   A"    15   .   HN    parsed_5iir   1   
         17   1   2   .   .   .   .   .   .   .   .   "   A"    11   .   O     parsed_5iir   1   
         18   1   1   .   .   .   .   .   .   .   .   "   A"    14   .   HN    parsed_5iir   1   
         18   1   2   .   .   .   .   .   .   .   .   "   A"    10   .   O     parsed_5iir   1   
         19   1   1   .   .   .   .   .   .   .   .   "   A"    13   .   HN    parsed_5iir   1   
         19   1   2   .   .   .   .   .   .   .   .   "   A"     9   .   O     parsed_5iir   1   
         20   1   1   .   .   .   .   .   .   .   .   "   A"    12   .   HN    parsed_5iir   1   
         20   1   2   .   .   .   .   .   .   .   .   "   A"     8   .   O     parsed_5iir   1   
         21   1   1   .   .   .   .   .   .   .   .   "   A"    11   .   HN    parsed_5iir   1   
         21   1   2   .   .   .   .   .   .   .   .   "   A"     7   .   O     parsed_5iir   1   
         22   1   1   .   .   .   .   .   .   .   .   "   A"    10   .   HN    parsed_5iir   1   
         22   1   2   .   .   .   .   .   .   .   .   "   A"     6   .   O     parsed_5iir   1   
         23   1   1   .   .   .   .   .   .   .   .   "   A"     9   .   HN    parsed_5iir   1   
         23   1   2   .   .   .   .   .   .   .   .   "   A"     5   .   O     parsed_5iir   1   
         24   1   1   .   .   .   .   .   .   .   .   "   A"     8   .   HN    parsed_5iir   1   
         24   1   2   .   .   .   .   .   .   .   .   "   A"     4   .   O     parsed_5iir   1   
         25   1   1   .   .   .   .   .   .   .   .   "   A"     7   .   HN    parsed_5iir   1   
         25   1   2   .   .   .   .   .   .   .   .   "   A"     3   .   O     parsed_5iir   1   
         26   1   1   .   .   .   .   .   .   .   .   "   A"     6   .   HN    parsed_5iir   1   
         26   1   2   .   .   .   .   .   .   .   .   "   A"     2   .   O     parsed_5iir   1   
         27   1   1   .   .   .   .   .   .   .   .   "   A"     5   .   HN    parsed_5iir   1   
         27   1   2   .   .   .   .   .   .   .   .   "   A"     1   .   O     parsed_5iir   1   
         28   1   1   .   .   .   .   .   .   .   .   "   B"    32   .   HN    parsed_5iir   1   
         28   1   2   .   .   .   .   .   .   .   .   "   B"    28   .   O     parsed_5iir   1   
         29   1   1   .   .   .   .   .   .   .   .   "   B"    31   .   HN    parsed_5iir   1   
         29   1   2   .   .   .   .   .   .   .   .   "   B"    27   .   O     parsed_5iir   1   
         30   1   1   .   .   .   .   .   .   .   .   "   B"    29   .   HN    parsed_5iir   1   
         30   1   2   .   .   .   .   .   .   .   .   "   B"    25   .   O     parsed_5iir   1   
         31   1   1   .   .   .   .   .   .   .   .   "   B"    28   .   HN    parsed_5iir   1   
         31   1   2   .   .   .   .   .   .   .   .   "   B"    24   .   O     parsed_5iir   1   
         32   1   1   .   .   .   .   .   .   .   .   "   B"    27   .   HN    parsed_5iir   1   
         32   1   2   .   .   .   .   .   .   .   .   "   B"    23   .   O     parsed_5iir   1   
         33   1   1   .   .   .   .   .   .   .   .   "   B"    26   .   HN    parsed_5iir   1   
         33   1   2   .   .   .   .   .   .   .   .   "   B"    22   .   O     parsed_5iir   1   
         34   1   1   .   .   .   .   .   .   .   .   "   B"    25   .   HN    parsed_5iir   1   
         34   1   2   .   .   .   .   .   .   .   .   "   B"    21   .   O     parsed_5iir   1   
         35   1   1   .   .   .   .   .   .   .   .   "   B"    24   .   HN    parsed_5iir   1   
         35   1   2   .   .   .   .   .   .   .   .   "   B"    20   .   O     parsed_5iir   1   
         36   1   1   .   .   .   .   .   .   .   .   "   B"    23   .   HN    parsed_5iir   1   
         36   1   2   .   .   .   .   .   .   .   .   "   B"    19   .   O     parsed_5iir   1   
         37   1   1   .   .   .   .   .   .   .   .   "   B"    22   .   HN    parsed_5iir   1   
         37   1   2   .   .   .   .   .   .   .   .   "   B"    18   .   O     parsed_5iir   1   
         38   1   1   .   .   .   .   .   .   .   .   "   B"    21   .   HN    parsed_5iir   1   
         38   1   2   .   .   .   .   .   .   .   .   "   B"    17   .   O     parsed_5iir   1   
         39   1   1   .   .   .   .   .   .   .   .   "   B"    20   .   HN    parsed_5iir   1   
         39   1   2   .   .   .   .   .   .   .   .   "   B"    16   .   O     parsed_5iir   1   
         40   1   1   .   .   .   .   .   .   .   .   "   B"    19   .   HN    parsed_5iir   1   
         40   1   2   .   .   .   .   .   .   .   .   "   B"    15   .   O     parsed_5iir   1   
         41   1   1   .   .   .   .   .   .   .   .   "   B"    18   .   HN    parsed_5iir   1   
         41   1   2   .   .   .   .   .   .   .   .   "   B"    14   .   O     parsed_5iir   1   
         42   1   1   .   .   .   .   .   .   .   .   "   B"    17   .   HN    parsed_5iir   1   
         42   1   2   .   .   .   .   .   .   .   .   "   B"    13   .   O     parsed_5iir   1   
         43   1   1   .   .   .   .   .   .   .   .   "   B"    16   .   HN    parsed_5iir   1   
         43   1   2   .   .   .   .   .   .   .   .   "   B"    12   .   O     parsed_5iir   1   
         44   1   1   .   .   .   .   .   .   .   .   "   B"    15   .   HN    parsed_5iir   1   
         44   1   2   .   .   .   .   .   .   .   .   "   B"    11   .   O     parsed_5iir   1   
         45   1   1   .   .   .   .   .   .   .   .   "   B"    14   .   HN    parsed_5iir   1   
         45   1   2   .   .   .   .   .   .   .   .   "   B"    10   .   O     parsed_5iir   1   
         46   1   1   .   .   .   .   .   .   .   .   "   B"    13   .   HN    parsed_5iir   1   
         46   1   2   .   .   .   .   .   .   .   .   "   B"     9   .   O     parsed_5iir   1   
         47   1   1   .   .   .   .   .   .   .   .   "   B"    12   .   HN    parsed_5iir   1   
         47   1   2   .   .   .   .   .   .   .   .   "   B"     8   .   O     parsed_5iir   1   
         48   1   1   .   .   .   .   .   .   .   .   "   B"    11   .   HN    parsed_5iir   1   
         48   1   2   .   .   .   .   .   .   .   .   "   B"     7   .   O     parsed_5iir   1   
         49   1   1   .   .   .   .   .   .   .   .   "   B"    10   .   HN    parsed_5iir   1   
         49   1   2   .   .   .   .   .   .   .   .   "   B"     6   .   O     parsed_5iir   1   
         50   1   1   .   .   .   .   .   .   .   .   "   B"     9   .   HN    parsed_5iir   1   
         50   1   2   .   .   .   .   .   .   .   .   "   B"     5   .   O     parsed_5iir   1   
         51   1   1   .   .   .   .   .   .   .   .   "   B"     8   .   HN    parsed_5iir   1   
         51   1   2   .   .   .   .   .   .   .   .   "   B"     4   .   O     parsed_5iir   1   
         52   1   1   .   .   .   .   .   .   .   .   "   B"     7   .   HN    parsed_5iir   1   
         52   1   2   .   .   .   .   .   .   .   .   "   B"     3   .   O     parsed_5iir   1   
         53   1   1   .   .   .   .   .   .   .   .   "   B"     6   .   HN    parsed_5iir   1   
         53   1   2   .   .   .   .   .   .   .   .   "   B"     2   .   O     parsed_5iir   1   
         54   1   1   .   .   .   .   .   .   .   .   "   B"     5   .   HN    parsed_5iir   1   
         54   1   2   .   .   .   .   .   .   .   .   "   B"     1   .   O     parsed_5iir   1   
         55   1   1   .   .   .   .   .   .   .   .   "   A"    32   .   N     parsed_5iir   1   
         55   1   2   .   .   .   .   .   .   .   .   "   A"    28   .   O     parsed_5iir   1   
         56   1   1   .   .   .   .   .   .   .   .   "   A"    31   .   N     parsed_5iir   1   
         56   1   2   .   .   .   .   .   .   .   .   "   A"    27   .   O     parsed_5iir   1   
         57   1   1   .   .   .   .   .   .   .   .   "   A"    29   .   HN    parsed_5iir   1   
         57   1   2   .   .   .   .   .   .   .   .   "   A"    25   .   O     parsed_5iir   1   
         58   1   1   .   .   .   .   .   .   .   .   "   A"    28   .   N     parsed_5iir   1   
         58   1   2   .   .   .   .   .   .   .   .   "   A"    24   .   O     parsed_5iir   1   
         59   1   1   .   .   .   .   .   .   .   .   "   A"    27   .   N     parsed_5iir   1   
         59   1   2   .   .   .   .   .   .   .   .   "   A"    23   .   O     parsed_5iir   1   
         60   1   1   .   .   .   .   .   .   .   .   "   A"    26   .   N     parsed_5iir   1   
         60   1   2   .   .   .   .   .   .   .   .   "   A"    22   .   O     parsed_5iir   1   
         61   1   1   .   .   .   .   .   .   .   .   "   A"    25   .   N     parsed_5iir   1   
         61   1   2   .   .   .   .   .   .   .   .   "   A"    21   .   O     parsed_5iir   1   
         62   1   1   .   .   .   .   .   .   .   .   "   A"    24   .   N     parsed_5iir   1   
         62   1   2   .   .   .   .   .   .   .   .   "   A"    20   .   O     parsed_5iir   1   
         63   1   1   .   .   .   .   .   .   .   .   "   A"    23   .   N     parsed_5iir   1   
         63   1   2   .   .   .   .   .   .   .   .   "   A"    19   .   O     parsed_5iir   1   
         64   1   1   .   .   .   .   .   .   .   .   "   A"    22   .   N     parsed_5iir   1   
         64   1   2   .   .   .   .   .   .   .   .   "   A"    18   .   O     parsed_5iir   1   
         65   1   1   .   .   .   .   .   .   .   .   "   A"    21   .   N     parsed_5iir   1   
         65   1   2   .   .   .   .   .   .   .   .   "   A"    17   .   O     parsed_5iir   1   
         66   1   1   .   .   .   .   .   .   .   .   "   A"    20   .   N     parsed_5iir   1   
         66   1   2   .   .   .   .   .   .   .   .   "   A"    16   .   O     parsed_5iir   1   
         67   1   1   .   .   .   .   .   .   .   .   "   A"    19   .   N     parsed_5iir   1   
         67   1   2   .   .   .   .   .   .   .   .   "   A"    15   .   O     parsed_5iir   1   
         68   1   1   .   .   .   .   .   .   .   .   "   A"    18   .   N     parsed_5iir   1   
         68   1   2   .   .   .   .   .   .   .   .   "   A"    14   .   O     parsed_5iir   1   
         69   1   1   .   .   .   .   .   .   .   .   "   A"    17   .   N     parsed_5iir   1   
         69   1   2   .   .   .   .   .   .   .   .   "   A"    13   .   O     parsed_5iir   1   
         70   1   1   .   .   .   .   .   .   .   .   "   A"    16   .   N     parsed_5iir   1   
         70   1   2   .   .   .   .   .   .   .   .   "   A"    12   .   O     parsed_5iir   1   
         71   1   1   .   .   .   .   .   .   .   .   "   A"    15   .   N     parsed_5iir   1   
         71   1   2   .   .   .   .   .   .   .   .   "   A"    11   .   O     parsed_5iir   1   
         72   1   1   .   .   .   .   .   .   .   .   "   A"    14   .   N     parsed_5iir   1   
         72   1   2   .   .   .   .   .   .   .   .   "   A"    10   .   O     parsed_5iir   1   
         73   1   1   .   .   .   .   .   .   .   .   "   A"    13   .   N     parsed_5iir   1   
         73   1   2   .   .   .   .   .   .   .   .   "   A"     9   .   O     parsed_5iir   1   
         74   1   1   .   .   .   .   .   .   .   .   "   A"    12   .   N     parsed_5iir   1   
         74   1   2   .   .   .   .   .   .   .   .   "   A"     8   .   O     parsed_5iir   1   
         75   1   1   .   .   .   .   .   .   .   .   "   A"    11   .   N     parsed_5iir   1   
         75   1   2   .   .   .   .   .   .   .   .   "   A"     7   .   O     parsed_5iir   1   
         76   1   1   .   .   .   .   .   .   .   .   "   A"    10   .   N     parsed_5iir   1   
         76   1   2   .   .   .   .   .   .   .   .   "   A"     6   .   O     parsed_5iir   1   
         77   1   1   .   .   .   .   .   .   .   .   "   A"     9   .   N     parsed_5iir   1   
         77   1   2   .   .   .   .   .   .   .   .   "   A"     5   .   O     parsed_5iir   1   
         78   1   1   .   .   .   .   .   .   .   .   "   A"     8   .   N     parsed_5iir   1   
         78   1   2   .   .   .   .   .   .   .   .   "   A"     4   .   O     parsed_5iir   1   
         79   1   1   .   .   .   .   .   .   .   .   "   A"     7   .   N     parsed_5iir   1   
         79   1   2   .   .   .   .   .   .   .   .   "   A"     3   .   O     parsed_5iir   1   
         80   1   1   .   .   .   .   .   .   .   .   "   A"     6   .   N     parsed_5iir   1   
         80   1   2   .   .   .   .   .   .   .   .   "   A"     2   .   O     parsed_5iir   1   
         81   1   1   .   .   .   .   .   .   .   .   "   A"     5   .   N     parsed_5iir   1   
         81   1   2   .   .   .   .   .   .   .   .   "   A"     1   .   O     parsed_5iir   1   
         82   1   1   .   .   .   .   .   .   .   .   "   B"    32   .   N     parsed_5iir   1   
         82   1   2   .   .   .   .   .   .   .   .   "   B"    28   .   O     parsed_5iir   1   
         83   1   1   .   .   .   .   .   .   .   .   "   B"    31   .   N     parsed_5iir   1   
         83   1   2   .   .   .   .   .   .   .   .   "   B"    27   .   O     parsed_5iir   1   
         84   1   1   .   .   .   .   .   .   .   .   "   B"    29   .   N     parsed_5iir   1   
         84   1   2   .   .   .   .   .   .   .   .   "   B"    25   .   O     parsed_5iir   1   
         85   1   1   .   .   .   .   .   .   .   .   "   B"    28   .   N     parsed_5iir   1   
         85   1   2   .   .   .   .   .   .   .   .   "   B"    24   .   O     parsed_5iir   1   
         86   1   1   .   .   .   .   .   .   .   .   "   B"    27   .   N     parsed_5iir   1   
         86   1   2   .   .   .   .   .   .   .   .   "   B"    23   .   O     parsed_5iir   1   
         87   1   1   .   .   .   .   .   .   .   .   "   B"    26   .   N     parsed_5iir   1   
         87   1   2   .   .   .   .   .   .   .   .   "   B"    22   .   O     parsed_5iir   1   
         88   1   1   .   .   .   .   .   .   .   .   "   B"    25   .   N     parsed_5iir   1   
         88   1   2   .   .   .   .   .   .   .   .   "   B"    21   .   O     parsed_5iir   1   
         89   1   1   .   .   .   .   .   .   .   .   "   B"    24   .   N     parsed_5iir   1   
         89   1   2   .   .   .   .   .   .   .   .   "   B"    20   .   O     parsed_5iir   1   
         90   1   1   .   .   .   .   .   .   .   .   "   B"    23   .   N     parsed_5iir   1   
         90   1   2   .   .   .   .   .   .   .   .   "   B"    19   .   O     parsed_5iir   1   
         91   1   1   .   .   .   .   .   .   .   .   "   B"    22   .   N     parsed_5iir   1   
         91   1   2   .   .   .   .   .   .   .   .   "   B"    18   .   O     parsed_5iir   1   
         92   1   1   .   .   .   .   .   .   .   .   "   B"    21   .   N     parsed_5iir   1   
         92   1   2   .   .   .   .   .   .   .   .   "   B"    17   .   O     parsed_5iir   1   
         93   1   1   .   .   .   .   .   .   .   .   "   B"    20   .   N     parsed_5iir   1   
         93   1   2   .   .   .   .   .   .   .   .   "   B"    16   .   O     parsed_5iir   1   
         94   1   1   .   .   .   .   .   .   .   .   "   B"    19   .   N     parsed_5iir   1   
         94   1   2   .   .   .   .   .   .   .   .   "   B"    15   .   O     parsed_5iir   1   
         95   1   1   .   .   .   .   .   .   .   .   "   B"    18   .   N     parsed_5iir   1   
         95   1   2   .   .   .   .   .   .   .   .   "   B"    14   .   O     parsed_5iir   1   
         96   1   1   .   .   .   .   .   .   .   .   "   B"    17   .   N     parsed_5iir   1   
         96   1   2   .   .   .   .   .   .   .   .   "   B"    13   .   O     parsed_5iir   1   
         97   1   1   .   .   .   .   .   .   .   .   "   B"    16   .   N     parsed_5iir   1   
         97   1   2   .   .   .   .   .   .   .   .   "   B"    12   .   O     parsed_5iir   1   
         98   1   1   .   .   .   .   .   .   .   .   "   B"    15   .   N     parsed_5iir   1   
         98   1   2   .   .   .   .   .   .   .   .   "   B"    11   .   O     parsed_5iir   1   
         99   1   1   .   .   .   .   .   .   .   .   "   B"    14   .   N     parsed_5iir   1   
         99   1   2   .   .   .   .   .   .   .   .   "   B"    10   .   O     parsed_5iir   1   
        100   1   1   .   .   .   .   .   .   .   .   "   B"    13   .   N     parsed_5iir   1   
        100   1   2   .   .   .   .   .   .   .   .   "   B"     9   .   O     parsed_5iir   1   
        101   1   1   .   .   .   .   .   .   .   .   "   B"    12   .   N     parsed_5iir   1   
        101   1   2   .   .   .   .   .   .   .   .   "   B"     8   .   O     parsed_5iir   1   
        102   1   1   .   .   .   .   .   .   .   .   "   B"    11   .   N     parsed_5iir   1   
        102   1   2   .   .   .   .   .   .   .   .   "   B"     7   .   O     parsed_5iir   1   
        103   1   1   .   .   .   .   .   .   .   .   "   B"    10   .   N     parsed_5iir   1   
        103   1   2   .   .   .   .   .   .   .   .   "   B"     6   .   O     parsed_5iir   1   
        104   1   1   .   .   .   .   .   .   .   .   "   B"     9   .   N     parsed_5iir   1   
        104   1   2   .   .   .   .   .   .   .   .   "   B"     5   .   O     parsed_5iir   1   
        105   1   1   .   .   .   .   .   .   .   .   "   B"     8   .   N     parsed_5iir   1   
        105   1   2   .   .   .   .   .   .   .   .   "   B"     4   .   O     parsed_5iir   1   
        106   1   1   .   .   .   .   .   .   .   .   "   B"     7   .   N     parsed_5iir   1   
        106   1   2   .   .   .   .   .   .   .   .   "   B"     3   .   O     parsed_5iir   1   
        107   1   1   .   .   .   .   .   .   .   .   "   B"     6   .   N     parsed_5iir   1   
        107   1   2   .   .   .   .   .   .   .   .   "   B"     2   .   O     parsed_5iir   1   
        108   1   1   .   .   .   .   .   .   .   .   "   B"     5   .   N     parsed_5iir   1   
        108   1   2   .   .   .   .   .   .   .   .   "   B"     1   .   O     parsed_5iir   1   
        109   1   1   .   .   .   .   .   .   .   .   "   A"    17   .   OD2   parsed_5iir   1   
        109   1   2   .   .   .   .   .   .   .   .   "   B"    17   .   ND2   parsed_5iir   1   
        110   1   1   .   .   .   .   .   .   .   .   "   B"    17   .   OD2   parsed_5iir   1   
        110   1   2   .   .   .   .   .   .   .   .   "   A"    17   .   ND2   parsed_5iir   1   
        111   1   1   .   .   .   .   .   .   .   .   "   A"     8   .   OD2   parsed_5iir   1   
        111   1   2   .   .   .   .   .   .   .   .   "   A"     5   .   NE2   parsed_5iir   1   
        112   1   1   .   .   .   .   .   .   .   .   "   B"     8   .   OD2   parsed_5iir   1   
        112   1   2   .   .   .   .   .   .   .   .   "   B"     5   .   NE2   parsed_5iir   1   
        113   1   1   .   .   .   .   .   .   .   .   "   A"    18   .   O     parsed_5iir   1   
        113   1   2   .   .   .   .   .   .   .   .   "   A"    22   .   ND2   parsed_5iir   1   
        114   1   1   .   .   .   .   .   .   .   .   "   B"    18   .   O     parsed_5iir   1   
        114   1   2   .   .   .   .   .   .   .   .   "   B"    22   .   ND2   parsed_5iir   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   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
          2   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
          3   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
          4   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
          5   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
          6   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
          7   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
          8   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
          9   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         10   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         11   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         12   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         13   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         14   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         15   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         16   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         17   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         18   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         19   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         20   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         21   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         22   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         23   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         24   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         25   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         26   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         27   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         28   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         29   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         30   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         31   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         32   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         33   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         34   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         35   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         36   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         37   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         38   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         39   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         40   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         41   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         42   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         43   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         44   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         45   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         46   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         47   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         48   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         49   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         50   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         51   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         52   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         53   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         54   1   .   .   .   .   .   2.000   1.500   2.500   parsed_5iir   1   
         55   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         56   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         57   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         58   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         59   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         60   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         61   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         62   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         63   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         64   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         65   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         66   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         67   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         68   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         69   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         70   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         71   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         72   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         73   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         74   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         75   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         76   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         77   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         78   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         79   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         80   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         81   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         82   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         83   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         84   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         85   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         86   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         87   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         88   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         89   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         90   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         91   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         92   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         93   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         94   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         95   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         96   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         97   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         98   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
         99   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        100   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        101   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        102   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        103   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        104   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        105   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        106   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        107   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        108   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        109   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        110   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        111   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        112   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        113   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   1   
        114   1   .   .   .   .   .   3.000   2.500   3.500   parsed_5iir   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   "N-->O after here"    270   1   270   18   parsed_5iir   1   
    stop_


    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

        1   "# Restraints file 1: 44_hbond.tbl"      1   1     1   33   parsed_5iir   1   
        2   
;
assi 
   ((( segid "   A" and resid 17   and name  HD22) OR (segid "   A" and resid 17   and name  HD21))
   (( segid "   B" and resid 17   and name  OD2 ))
      2.000     0.500     0.500
;
   540   2   543   31   parsed_5iir   1   
        3   
;
assi 
   ((( segid "   B" and resid 17   and name  HD22) OR (segid "   B" and resid 17   and name  HD21))
   (( segid "   A" and resid 17   and name  OD2 ))
      2.000     0.500     0.500
;
   545   2   548   31   parsed_5iir   1   
        4   
;
assi 
   ((( segid "   A" and resid 5    and name  HE22) OR (segid "   A" and resid 5    and name  HE21))
   (( segid "   A" and resid 8    and name  OD2 ))
      2.000     0.500     0.500
;
   560   2   563   31   parsed_5iir   1   
        5   
;
assi 
   ((( segid "   B" and resid 5    and name  HE22) OR (segid "   B" and resid 5    and name  HE21))
   (( segid "   B" and resid 8    and name  OD2 ))
      2.000     0.500     0.500
;
   565   2   568   31   parsed_5iir   1   
        6   
;
assi 
   ((( segid "   A" and resid 22   and name  HD22) OR (segid "   A" and resid 22   and name  HD21))
   (( segid "   A" and resid 18   and name  O   ))
      2.000     0.500     0.500
;
   580   2   583   31   parsed_5iir   1   
        7   
;
assi 
   ((( segid "   B" and resid 22   and name  HD22) OR (segid "   B" and resid 22   and name  HD21))
   (( segid "   B" and resid 18   and name  O   ))
      2.000     0.500     0.500
;
   585   2   588   31   parsed_5iir   1   
    stop_

save_





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