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
29268 1aou cing 2-parsed STAR distance NOE ambi 105


data_1aou_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1aou 
    _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_1aou   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1aou 
    _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   1aou   "Master copy"    parsed_1aou   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1aou 
    _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   1aou.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1aou   1   
        1   1aou.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1400   parsed_1aou   1   
        1   1aou.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi                105   parsed_1aou   1   
        1   1aou.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple                0   parsed_1aou   1   
        1   1aou.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_1aou   1   
        1   1aou.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"       0   parsed_1aou   1   
        1   1aou.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1aou   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1aou 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _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_1aou   1   
          2   1   .   .   .   parsed_1aou   1   
          3   1   .   .   .   parsed_1aou   1   
          4   1   .   .   .   parsed_1aou   1   
          5   1   .   .   .   parsed_1aou   1   
          6   1   .   .   .   parsed_1aou   1   
          7   1   .   .   .   parsed_1aou   1   
          8   1   .   .   .   parsed_1aou   1   
          9   1   .   .   .   parsed_1aou   1   
         10   1   .   .   .   parsed_1aou   1   
         11   1   .   .   .   parsed_1aou   1   
         12   1   .   .   .   parsed_1aou   1   
         13   1   .   .   .   parsed_1aou   1   
         14   1   .   .   .   parsed_1aou   1   
         15   1   .   .   .   parsed_1aou   1   
         16   1   .   .   .   parsed_1aou   1   
         17   1   .   .   .   parsed_1aou   1   
         18   1   .   .   .   parsed_1aou   1   
         19   1   .   .   .   parsed_1aou   1   
         20   1   .   .   .   parsed_1aou   1   
         21   1   .   .   .   parsed_1aou   1   
         22   1   .   .   .   parsed_1aou   1   
         23   1   .   .   .   parsed_1aou   1   
         24   1   .   .   .   parsed_1aou   1   
         25   1   .   .   .   parsed_1aou   1   
         26   1   .   .   .   parsed_1aou   1   
         27   1   .   .   .   parsed_1aou   1   
         28   1   .   .   .   parsed_1aou   1   
         29   1   .   .   .   parsed_1aou   1   
         30   1   .   .   .   parsed_1aou   1   
         31   1   .   .   .   parsed_1aou   1   
         32   1   .   .   .   parsed_1aou   1   
         33   1   .   .   .   parsed_1aou   1   
         34   1   .   .   .   parsed_1aou   1   
         35   1   .   .   .   parsed_1aou   1   
         36   1   .   .   .   parsed_1aou   1   
         37   1   .   .   .   parsed_1aou   1   
         38   1   .   .   .   parsed_1aou   1   
         39   1   .   .   .   parsed_1aou   1   
         40   1   .   .   .   parsed_1aou   1   
         41   1   .   .   .   parsed_1aou   1   
         42   1   .   .   .   parsed_1aou   1   
         43   1   .   .   .   parsed_1aou   1   
         44   1   .   .   .   parsed_1aou   1   
         45   1   .   .   .   parsed_1aou   1   
         46   1   .   .   .   parsed_1aou   1   
         47   1   .   .   .   parsed_1aou   1   
         48   1   .   .   .   parsed_1aou   1   
         49   1   .   .   .   parsed_1aou   1   
         50   1   .   .   .   parsed_1aou   1   
         51   1   .   .   .   parsed_1aou   1   
         52   1   .   .   .   parsed_1aou   1   
         53   1   .   .   .   parsed_1aou   1   
         54   1   .   .   .   parsed_1aou   1   
         55   1   .   .   .   parsed_1aou   1   
         56   1   .   .   .   parsed_1aou   1   
         57   1   .   .   .   parsed_1aou   1   
         58   1   .   .   .   parsed_1aou   1   
         59   1   .   .   .   parsed_1aou   1   
         60   1   .   .   .   parsed_1aou   1   
         61   1   .   .   .   parsed_1aou   1   
         62   1   .   .   .   parsed_1aou   1   
         63   1   .   .   .   parsed_1aou   1   
         64   1   .   .   .   parsed_1aou   1   
         65   1   .   .   .   parsed_1aou   1   
         66   1   .   .   .   parsed_1aou   1   
         67   1   .   .   .   parsed_1aou   1   
         68   1   .   .   .   parsed_1aou   1   
         69   1   .   .   .   parsed_1aou   1   
         70   1   .   .   .   parsed_1aou   1   
         71   1   .   .   .   parsed_1aou   1   
         72   1   .   .   .   parsed_1aou   1   
         73   1   .   .   .   parsed_1aou   1   
         74   1   .   .   .   parsed_1aou   1   
         75   1   .   .   .   parsed_1aou   1   
         76   1   .   .   .   parsed_1aou   1   
         77   1   .   .   .   parsed_1aou   1   
         78   1   .   .   .   parsed_1aou   1   
         79   1   .   .   .   parsed_1aou   1   
         80   1   .   .   .   parsed_1aou   1   
         81   1   .   .   .   parsed_1aou   1   
         82   1   .   .   .   parsed_1aou   1   
         83   1   .   .   .   parsed_1aou   1   
         84   1   .   .   .   parsed_1aou   1   
         85   1   .   .   .   parsed_1aou   1   
         86   1   .   .   .   parsed_1aou   1   
         87   1   .   .   .   parsed_1aou   1   
         88   1   .   .   .   parsed_1aou   1   
         89   1   .   .   .   parsed_1aou   1   
         90   1   .   .   .   parsed_1aou   1   
         91   1   .   .   .   parsed_1aou   1   
         92   1   .   .   .   parsed_1aou   1   
         93   1   .   .   .   parsed_1aou   1   
         94   1   .   .   .   parsed_1aou   1   
         95   1   .   .   .   parsed_1aou   1   
         96   1   .   .   .   parsed_1aou   1   
         97   1   .   .   .   parsed_1aou   1   
         98   1   .   .   .   parsed_1aou   1   
         99   1   .   .   .   parsed_1aou   1   
        100   1   .   .   .   parsed_1aou   1   
        101   1   .   .   .   parsed_1aou   1   
        102   1   .   .   .   parsed_1aou   1   
        103   1   .   .   .   parsed_1aou   1   
        104   1   .   .   .   parsed_1aou   1   
        105   1   .   .   .   parsed_1aou   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   .   .   .   .   .   .   .   .   fSH2    60   .   hd2    parsed_1aou   1   
          1   1   1   .   .   .   .   .   .   .   .   fSH2   204   .   he*    parsed_1aou   1   
          1   1   2   .   .   .   .   .   .   .   .   fSH2    60   .   hb1    parsed_1aou   1   
          2   1   1   .   .   .   .   .   .   .   .   fSH2    60   .   hd2    parsed_1aou   1   
          2   1   1   .   .   .   .   .   .   .   .   fSH2   204   .   he*    parsed_1aou   1   
          2   1   2   .   .   .   .   .   .   .   .   fSH2    60   .   hb2    parsed_1aou   1   
          3   1   1   .   .   .   .   .   .   .   .   fSH2   204   .   hn     parsed_1aou   1   
          3   1   1   .   .   .   .   .   .   .   .   fSH2   205   .   hn     parsed_1aou   1   
          3   1   2   .   .   .   .   .   .   .   .   fSH2   204   .   ha     parsed_1aou   1   
          4   1   1   .   .   .   .   .   .   .   .   fSH2   204   .   hn     parsed_1aou   1   
          4   1   1   .   .   .   .   .   .   .   .   fSH2   205   .   hn     parsed_1aou   1   
          4   1   2   .   .   .   .   .   .   .   .   fSH2   204   .   hb1    parsed_1aou   1   
          5   1   1   .   .   .   .   .   .   .   .   fSH2   204   .   hn     parsed_1aou   1   
          5   1   1   .   .   .   .   .   .   .   .   fSH2   205   .   hn     parsed_1aou   1   
          5   1   2   .   .   .   .   .   .   .   .   fSH2   204   .   hb2    parsed_1aou   1   
          6   1   1   .   .   .   .   .   .   .   .   fSH2   204   .   hn     parsed_1aou   1   
          6   1   1   .   .   .   .   .   .   .   .   fSH2   205   .   hn     parsed_1aou   1   
          6   1   2   .   .   .   .   .   .   .   .   fSH2   204   .   hd*    parsed_1aou   1   
          7   1   1   .   .   .   .   .   .   .   .   fSH2   207   .   hd1*   parsed_1aou   1   
          7   1   1   .   .   .   .   .   .   .   .   fSH2   207   .   hg2*   parsed_1aou   1   
          7   1   2   .   .   .   .   .   .   .   .   fSH2   207   .   hn     parsed_1aou   1   
          8   1   1   .   .   .   .   .   .   .   .   fSH2   207   .   hd1*   parsed_1aou   1   
          8   1   1   .   .   .   .   .   .   .   .   fSH2   207   .   hg2*   parsed_1aou   1   
          8   1   2   .   .   .   .   .   .   .   .   fSH2    74   .   hb     parsed_1aou   1   
          9   1   1   .   .   .   .   .   .   .   .   fSH2    75   .   hg2*   parsed_1aou   1   
          9   1   1   .   .   .   .   .   .   .   .   fSH2   207   .   hd1*   parsed_1aou   1   
          9   1   1   .   .   .   .   .   .   .   .   fSH2   207   .   hg2*   parsed_1aou   1   
          9   1   2   .   .   .   .   .   .   .   .   fSH2    75   .   hn     parsed_1aou   1   
         10   1   1   .   .   .   .   .   .   .   .   fSH2   207   .   hd1*   parsed_1aou   1   
         10   1   1   .   .   .   .   .   .   .   .   fSH2   207   .   hg2*   parsed_1aou   1   
         10   1   2   .   .   .   .   .   .   .   .   fSH2    75   .   hn     parsed_1aou   1   
         11   1   1   .   .   .   .   .   .   .   .   fSH2   209   .   hd1*   parsed_1aou   1   
         11   1   1   .   .   .   .   .   .   .   .   fSH2   209   .   hg2*   parsed_1aou   1   
         11   1   2   .   .   .   .   .   .   .   .   fSH2   209   .   hn     parsed_1aou   1   
         12   1   1   .   .   .   .   .   .   .   .   fSH2   209   .   hd1*   parsed_1aou   1   
         12   1   1   .   .   .   .   .   .   .   .   fSH2   209   .   hg2*   parsed_1aou   1   
         12   1   2   .   .   .   .   .   .   .   .   fSH2   210   .   hn     parsed_1aou   1   
         13   1   1   .   .   .   .   .   .   .   .   fSH2   211   .   hb*    parsed_1aou   1   
         13   1   1   .   .   .   .   .   .   .   .   fSH2   211   .   hg*    parsed_1aou   1   
         13   1   2   .   .   .   .   .   .   .   .   fSH2   211   .   hn     parsed_1aou   1   
         14   1   1   .   .   .   .   .   .   .   .   fSH2     2   .   hd1*   parsed_1aou   1   
         14   1   1   .   .   .   .   .   .   .   .   fSH2    33   .   hd1*   parsed_1aou   1   
         14   1   1   .   .   .   .   .   .   .   .   fSH2   101   .   hg1*   parsed_1aou   1   
         14   1   2   .   .   .   .   .   .   .   .   fSH2     5   .   hn     parsed_1aou   1   
         15   1   1   .   .   .   .   .   .   .   .   fSH2     8   .   hb2*   parsed_1aou   1   
         15   1   1   .   .   .   .   .   .   .   .   fSH2    83   .   hb*    parsed_1aou   1   
         15   1   2   .   .   .   .   .   .   .   .   fSH2     7   .   hz2    parsed_1aou   1   
         16   1   1   .   .   .   .   .   .   .   .   fSH2     2   .   hd1*   parsed_1aou   1   
         16   1   1   .   .   .   .   .   .   .   .   fSH2    33   .   hd1*   parsed_1aou   1   
         16   1   2   .   .   .   .   .   .   .   .   fSH2     7   .   hh2    parsed_1aou   1   
         17   1   1   .   .   .   .   .   .   .   .   fSH2    32   .   hb*    parsed_1aou   1   
         17   1   1   .   .   .   .   .   .   .   .   fSH2    32   .   hg*    parsed_1aou   1   
         17   1   2   .   .   .   .   .   .   .   .   fSH2     9   .   hn     parsed_1aou   1   
         18   1   1   .   .   .   .   .   .   .   .   fSH2    10   .   ha1    parsed_1aou   1   
         18   1   1   .   .   .   .   .   .   .   .   fSH2    44   .   hb2    parsed_1aou   1   
         18   1   2   .   .   .   .   .   .   .   .   fSH2    12   .   hn     parsed_1aou   1   
         19   1   1   .   .   .   .   .   .   .   .   fSH2    21   .   hb*    parsed_1aou   1   
         19   1   1   .   .   .   .   .   .   .   .   fSH2    22   .   hb*    parsed_1aou   1   
         19   1   2   .   .   .   .   .   .   .   .   fSH2    19   .   hn     parsed_1aou   1   
         20   1   1   .   .   .   .   .   .   .   .   fSH2    21   .   hb*    parsed_1aou   1   
         20   1   1   .   .   .   .   .   .   .   .   fSH2    22   .   hb*    parsed_1aou   1   
         20   1   2   .   .   .   .   .   .   .   .   fSH2    21   .   hn     parsed_1aou   1   
         21   1   1   .   .   .   .   .   .   .   .   fSH2    21   .   hb*    parsed_1aou   1   
         21   1   1   .   .   .   .   .   .   .   .   fSH2    22   .   hb*    parsed_1aou   1   
         21   1   2   .   .   .   .   .   .   .   .   fSH2    22   .   hn     parsed_1aou   1   
         22   1   1   .   .   .   .   .   .   .   .   fSH2    21   .   hd*    parsed_1aou   1   
         22   1   1   .   .   .   .   .   .   .   .   fSH2    22   .   hd2*   parsed_1aou   1   
         22   1   2   .   .   .   .   .   .   .   .   fSH2    22   .   hn     parsed_1aou   1   
         23   1   1   .   .   .   .   .   .   .   .   fSH2    21   .   hd*    parsed_1aou   1   
         23   1   1   .   .   .   .   .   .   .   .   fSH2    22   .   hd2*   parsed_1aou   1   
         23   1   2   .   .   .   .   .   .   .   .   fSH2    23   .   hn     parsed_1aou   1   
         24   1   1   .   .   .   .   .   .   .   .   fSH2    21   .   hb*    parsed_1aou   1   
         24   1   1   .   .   .   .   .   .   .   .   fSH2    22   .   hb*    parsed_1aou   1   
         24   1   2   .   .   .   .   .   .   .   .   fSH2    22   .   hn     parsed_1aou   1   
         25   1   1   .   .   .   .   .   .   .   .   fSH2    27   .   hd2    parsed_1aou   1   
         25   1   1   .   .   .   .   .   .   .   .   fSH2    30   .   hb     parsed_1aou   1   
         25   1   2   .   .   .   .   .   .   .   .   fSH2    30   .   hg1    parsed_1aou   1   
         26   1   1   .   .   .   .   .   .   .   .   fSH2    27   .   hb*    parsed_1aou   1   
         26   1   1   .   .   .   .   .   .   .   .   fSH2    27   .   hg*    parsed_1aou   1   
         26   1   2   .   .   .   .   .   .   .   .   fSH2    30   .   hg1    parsed_1aou   1   
         27   1   1   .   .   .   .   .   .   .   .   fSH2    28   .   ha     parsed_1aou   1   
         27   1   1   .   .   .   .   .   .   .   .   fSH2    30   .   hb     parsed_1aou   1   
         27   1   2   .   .   .   .   .   .   .   .   fSH2    30   .   hn     parsed_1aou   1   
         28   1   1   .   .   .   .   .   .   .   .   fSH2    30   .   hg2*   parsed_1aou   1   
         28   1   1   .   .   .   .   .   .   .   .   fSH2   102   .   hg1*   parsed_1aou   1   
         28   1   2   .   .   .   .   .   .   .   .   fSH2    31   .   hn     parsed_1aou   1   
         29   1   1   .   .   .   .   .   .   .   .   fSH2    47   .   hd1*   parsed_1aou   1   
         29   1   1   .   .   .   .   .   .   .   .   fSH2    47   .   hg2*   parsed_1aou   1   
         29   1   2   .   .   .   .   .   .   .   .   fSH2    31   .   ha     parsed_1aou   1   
         30   1   1   .   .   .   .   .   .   .   .   fSH2    32   .   hb*    parsed_1aou   1   
         30   1   1   .   .   .   .   .   .   .   .   fSH2    32   .   hg*    parsed_1aou   1   
         30   1   2   .   .   .   .   .   .   .   .   fSH2    33   .   hn     parsed_1aou   1   
         31   1   1   .   .   .   .   .   .   .   .   fSH2    37   .   ha     parsed_1aou   1   
         31   1   1   .   .   .   .   .   .   .   .   fSH2    38   .   ha     parsed_1aou   1   
         31   1   1   .   .   .   .   .   .   .   .   fSH2    38   .   hb     parsed_1aou   1   
         31   1   2   .   .   .   .   .   .   .   .   fSH2    36   .   hb2    parsed_1aou   1   
         32   1   1   .   .   .   .   .   .   .   .   fSH2    37   .   ha     parsed_1aou   1   
         32   1   1   .   .   .   .   .   .   .   .   fSH2    38   .   ha     parsed_1aou   1   
         32   1   1   .   .   .   .   .   .   .   .   fSH2    38   .   hb     parsed_1aou   1   
         32   1   2   .   .   .   .   .   .   .   .   fSH2    36   .   hb1    parsed_1aou   1   
         33   1   1   .   .   .   .   .   .   .   .   fSH2    40   .   ha     parsed_1aou   1   
         33   1   1   .   .   .   .   .   .   .   .   fSH2    41   .   ha1    parsed_1aou   1   
         33   1   2   .   .   .   .   .   .   .   .   fSH2    41   .   hn     parsed_1aou   1   
         34   1   1   .   .   .   .   .   .   .   .   fSH2    40   .   ha     parsed_1aou   1   
         34   1   1   .   .   .   .   .   .   .   .   fSH2    41   .   ha1    parsed_1aou   1   
         34   1   2   .   .   .   .   .   .   .   .   fSH2    42   .   hn     parsed_1aou   1   
         35   1   1   .   .   .   .   .   .   .   .   fSH2    33   .   hg2*   parsed_1aou   1   
         35   1   1   .   .   .   .   .   .   .   .   fSH2    63   .   hg12   parsed_1aou   1   
         35   1   2   .   .   .   .   .   .   .   .   fSH2    44   .   hn     parsed_1aou   1   
         36   1   1   .   .   .   .   .   .   .   .   fSH2     8   .   hd*    parsed_1aou   1   
         36   1   1   .   .   .   .   .   .   .   .   fSH2    43   .   hd*    parsed_1aou   1   
         36   1   2   .   .   .   .   .   .   .   .   fSH2    44   .   hb1    parsed_1aou   1   
         37   1   1   .   .   .   .   .   .   .   .   fSH2    45   .   hd1*   parsed_1aou   1   
         37   1   1   .   .   .   .   .   .   .   .   fSH2    63   .   hd1*   parsed_1aou   1   
         37   1   2   .   .   .   .   .   .   .   .   fSH2    45   .   hn     parsed_1aou   1   
         38   1   1   .   .   .   .   .   .   .   .   fSH2    59   .   hn     parsed_1aou   1   
         38   1   1   .   .   .   .   .   .   .   .   fSH2    60   .   hn     parsed_1aou   1   
         38   1   2   .   .   .   .   .   .   .   .   fSH2    47   .   hn     parsed_1aou   1   
         39   1   1   .   .   .   .   .   .   .   .   fSH2    48   .   hb*    parsed_1aou   1   
         39   1   1   .   .   .   .   .   .   .   .   fSH2    49   .   hb2    parsed_1aou   1   
         39   1   2   .   .   .   .   .   .   .   .   fSH2    48   .   hn     parsed_1aou   1   
         40   1   1   .   .   .   .   .   .   .   .   fSH2    28   .   ha     parsed_1aou   1   
         40   1   1   .   .   .   .   .   .   .   .   fSH2    30   .   hb     parsed_1aou   1   
         40   1   2   .   .   .   .   .   .   .   .   fSH2    48   .   hn     parsed_1aou   1   
         41   1   1   .   .   .   .   .   .   .   .   fSH2    21   .   hd*    parsed_1aou   1   
         41   1   1   .   .   .   .   .   .   .   .   fSH2    22   .   hd2*   parsed_1aou   1   
         41   1   2   .   .   .   .   .   .   .   .   fSH2    49   .   hn     parsed_1aou   1   
         42   1   1   .   .   .   .   .   .   .   .   fSH2    48   .   hb*    parsed_1aou   1   
         42   1   1   .   .   .   .   .   .   .   .   fSH2    49   .   hb2    parsed_1aou   1   
         42   1   2   .   .   .   .   .   .   .   .   fSH2    49   .   hn     parsed_1aou   1   
         43   1   1   .   .   .   .   .   .   .   .   fSH2    58   .   hb*    parsed_1aou   1   
         43   1   1   .   .   .   .   .   .   .   .   fSH2    59   .   hb*    parsed_1aou   1   
         43   1   2   .   .   .   .   .   .   .   .   fSH2    49   .   hn     parsed_1aou   1   
         44   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   ha     parsed_1aou   1   
         44   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   ha     parsed_1aou   1   
         44   1   2   .   .   .   .   .   .   .   .   fSH2    52   .   hn     parsed_1aou   1   
         45   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   hb1    parsed_1aou   1   
         45   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   hb1    parsed_1aou   1   
         45   1   2   .   .   .   .   .   .   .   .   fSH2    51   .   hn     parsed_1aou   1   
         46   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   hb2    parsed_1aou   1   
         46   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   hb2    parsed_1aou   1   
         46   1   2   .   .   .   .   .   .   .   .   fSH2    51   .   hn     parsed_1aou   1   
         47   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   hb1    parsed_1aou   1   
         47   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   hb1    parsed_1aou   1   
         47   1   2   .   .   .   .   .   .   .   .   fSH2    52   .   hn     parsed_1aou   1   
         48   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   hb2    parsed_1aou   1   
         48   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   hb2    parsed_1aou   1   
         48   1   2   .   .   .   .   .   .   .   .   fSH2    52   .   hn     parsed_1aou   1   
         49   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   hb1    parsed_1aou   1   
         49   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   hb1    parsed_1aou   1   
         49   1   2   .   .   .   .   .   .   .   .   fSH2    53   .   hn     parsed_1aou   1   
         50   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   hb2    parsed_1aou   1   
         50   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   hb2    parsed_1aou   1   
         50   1   2   .   .   .   .   .   .   .   .   fSH2    53   .   hn     parsed_1aou   1   
         51   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   ha     parsed_1aou   1   
         51   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   ha     parsed_1aou   1   
         51   1   2   .   .   .   .   .   .   .   .   fSH2    53   .   hn     parsed_1aou   1   
         52   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   ha     parsed_1aou   1   
         52   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   ha     parsed_1aou   1   
         52   1   2   .   .   .   .   .   .   .   .   fSH2    54   .   hn     parsed_1aou   1   
         53   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   hb1    parsed_1aou   1   
         53   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   hb1    parsed_1aou   1   
         53   1   2   .   .   .   .   .   .   .   .   fSH2    55   .   hn     parsed_1aou   1   
         54   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   hb2    parsed_1aou   1   
         54   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   hb2    parsed_1aou   1   
         54   1   2   .   .   .   .   .   .   .   .   fSH2    55   .   hn     parsed_1aou   1   
         55   1   1   .   .   .   .   .   .   .   .   fSH2    51   .   ha     parsed_1aou   1   
         55   1   1   .   .   .   .   .   .   .   .   fSH2    52   .   ha     parsed_1aou   1   
         55   1   2   .   .   .   .   .   .   .   .   fSH2    55   .   hn     parsed_1aou   1   
         56   1   1   .   .   .   .   .   .   .   .   fSH2    48   .   hb*    parsed_1aou   1   
         56   1   1   .   .   .   .   .   .   .   .   fSH2    49   .   hb2    parsed_1aou   1   
         56   1   2   .   .   .   .   .   .   .   .   fSH2    57   .   hn     parsed_1aou   1   
         57   1   1   .   .   .   .   .   .   .   .   fSH2    58   .   hb*    parsed_1aou   1   
         57   1   1   .   .   .   .   .   .   .   .   fSH2    59   .   hb*    parsed_1aou   1   
         57   1   2   .   .   .   .   .   .   .   .   fSH2    57   .   hn     parsed_1aou   1   
         58   1   1   .   .   .   .   .   .   .   .   fSH2    48   .   hb*    parsed_1aou   1   
         58   1   1   .   .   .   .   .   .   .   .   fSH2    49   .   hb2    parsed_1aou   1   
         58   1   2   .   .   .   .   .   .   .   .   fSH2    58   .   hn     parsed_1aou   1   
         59   1   1   .   .   .   .   .   .   .   .   fSH2    58   .   hb*    parsed_1aou   1   
         59   1   1   .   .   .   .   .   .   .   .   fSH2    59   .   hb*    parsed_1aou   1   
         59   1   2   .   .   .   .   .   .   .   .   fSH2    58   .   hn     parsed_1aou   1   
         60   1   1   .   .   .   .   .   .   .   .   fSH2    48   .   hb*    parsed_1aou   1   
         60   1   1   .   .   .   .   .   .   .   .   fSH2    49   .   hb2    parsed_1aou   1   
         60   1   2   .   .   .   .   .   .   .   .   fSH2    59   .   hn     parsed_1aou   1   
         61   1   1   .   .   .   .   .   .   .   .   fSH2    58   .   hb*    parsed_1aou   1   
         61   1   1   .   .   .   .   .   .   .   .   fSH2    59   .   hb*    parsed_1aou   1   
         61   1   2   .   .   .   .   .   .   .   .   fSH2    59   .   hn     parsed_1aou   1   
         62   1   1   .   .   .   .   .   .   .   .   fSH2    60   .   hd2    parsed_1aou   1   
         62   1   1   .   .   .   .   .   .   .   .   fSH2   204   .   he*    parsed_1aou   1   
         62   1   2   .   .   .   .   .   .   .   .   fSH2    60   .   hb1    parsed_1aou   1   
         63   1   1   .   .   .   .   .   .   .   .   fSH2    60   .   hd2    parsed_1aou   1   
         63   1   1   .   .   .   .   .   .   .   .   fSH2   204   .   he*    parsed_1aou   1   
         63   1   2   .   .   .   .   .   .   .   .   fSH2    60   .   hb2    parsed_1aou   1   
         64   1   1   .   .   .   .   .   .   .   .   fSH2    58   .   hb*    parsed_1aou   1   
         64   1   1   .   .   .   .   .   .   .   .   fSH2    59   .   hb*    parsed_1aou   1   
         64   1   2   .   .   .   .   .   .   .   .   fSH2    60   .   he1    parsed_1aou   1   
         65   1   1   .   .   .   .   .   .   .   .   fSH2    58   .   hb*    parsed_1aou   1   
         65   1   1   .   .   .   .   .   .   .   .   fSH2    59   .   hb*    parsed_1aou   1   
         65   1   2   .   .   .   .   .   .   .   .   fSH2    60   .   hn     parsed_1aou   1   
         66   1   1   .   .   .   .   .   .   .   .   fSH2    45   .   hn     parsed_1aou   1   
         66   1   1   .   .   .   .   .   .   .   .   fSH2    62   .   hn     parsed_1aou   1   
         66   1   2   .   .   .   .   .   .   .   .   fSH2    63   .   hn     parsed_1aou   1   
         67   1   1   .   .   .   .   .   .   .   .   fSH2    69   .   ha2    parsed_1aou   1   
         67   1   1   .   .   .   .   .   .   .   .   fSH2    70   .   ha2    parsed_1aou   1   
         67   1   2   .   .   .   .   .   .   .   .   fSH2    69   .   hn     parsed_1aou   1   
         68   1   1   .   .   .   .   .   .   .   .   fSH2    69   .   ha2    parsed_1aou   1   
         68   1   1   .   .   .   .   .   .   .   .   fSH2    70   .   ha2    parsed_1aou   1   
         68   1   2   .   .   .   .   .   .   .   .   fSH2    70   .   hn     parsed_1aou   1   
         69   1   1   .   .   .   .   .   .   .   .   fSH2    63   .   hg2*   parsed_1aou   1   
         69   1   1   .   .   .   .   .   .   .   .   fSH2    85   .   hd2*   parsed_1aou   1   
         69   1   2   .   .   .   .   .   .   .   .   fSH2    71   .   hn     parsed_1aou   1   
         70   1   1   .   .   .   .   .   .   .   .   fSH2    69   .   ha2    parsed_1aou   1   
         70   1   1   .   .   .   .   .   .   .   .   fSH2    70   .   ha2    parsed_1aou   1   
         70   1   2   .   .   .   .   .   .   .   .   fSH2    71   .   hn     parsed_1aou   1   
         71   1   1   .   .   .   .   .   .   .   .   fSH2    66   .   hb*    parsed_1aou   1   
         71   1   1   .   .   .   .   .   .   .   .   fSH2    66   .   hg     parsed_1aou   1   
         71   1   2   .   .   .   .   .   .   .   .   fSH2    72   .   he*    parsed_1aou   1   
         72   1   1   .   .   .   .   .   .   .   .   fSH2    66   .   hb*    parsed_1aou   1   
         72   1   1   .   .   .   .   .   .   .   .   fSH2    66   .   hg     parsed_1aou   1   
         72   1   2   .   .   .   .   .   .   .   .   fSH2    72   .   hd*    parsed_1aou   1   
         73   1   1   .   .   .   .   .   .   .   .   fSH2    71   .   hb1    parsed_1aou   1   
         73   1   1   .   .   .   .   .   .   .   .   fSH2    72   .   hb1    parsed_1aou   1   
         73   1   2   .   .   .   .   .   .   .   .   fSH2    72   .   hn     parsed_1aou   1   
         74   1   1   .   .   .   .   .   .   .   .   fSH2    71   .   hb1    parsed_1aou   1   
         74   1   1   .   .   .   .   .   .   .   .   fSH2    72   .   hb1    parsed_1aou   1   
         74   1   2   .   .   .   .   .   .   .   .   fSH2    79   .   hn     parsed_1aou   1   
         75   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         75   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         75   1   2   .   .   .   .   .   .   .   .   fSH2    79   .   hb*    parsed_1aou   1   
         76   1   1   .   .   .   .   .   .   .   .   fSH2    82   .   hn     parsed_1aou   1   
         76   1   1   .   .   .   .   .   .   .   .   fSH2    83   .   hn     parsed_1aou   1   
         76   1   2   .   .   .   .   .   .   .   .   fSH2    81   .   hg1    parsed_1aou   1   
         77   1   1   .   .   .   .   .   .   .   .   fSH2     8   .   he*    parsed_1aou   1   
         77   1   1   .   .   .   .   .   .   .   .   fSH2    43   .   he*    parsed_1aou   1   
         77   1   2   .   .   .   .   .   .   .   .   fSH2    82   .   hd1*   parsed_1aou   1   
         78   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         78   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         78   1   2   .   .   .   .   .   .   .   .   fSH2    83   .   hb*    parsed_1aou   1   
         79   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         79   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         79   1   2   .   .   .   .   .   .   .   .   fSH2    85   .   hn     parsed_1aou   1   
         80   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         80   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         80   1   2   .   .   .   .   .   .   .   .   fSH2    85   .   ha     parsed_1aou   1   
         81   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hg1*   parsed_1aou   1   
         81   1   1   .   .   .   .   .   .   .   .   fSH2   100   .   hd1*   parsed_1aou   1   
         81   1   2   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         81   1   2   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         82   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         82   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         82   1   2   .   .   .   .   .   .   .   .   fSH2    86   .   hg1*   parsed_1aou   1   
         83   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         83   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         83   1   2   .   .   .   .   .   .   .   .   fSH2    86   .   hg2*   parsed_1aou   1   
         84   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         84   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         84   1   2   .   .   .   .   .   .   .   .   fSH2    86   .   ha     parsed_1aou   1   
         85   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         85   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         85   1   2   .   .   .   .   .   .   .   .   fSH2    86   .   hb     parsed_1aou   1   
         86   1   1   .   .   .   .   .   .   .   .   fSH2    89   .   hd*    parsed_1aou   1   
         86   1   1   .   .   .   .   .   .   .   .   fSH2    91   .   hn     parsed_1aou   1   
         86   1   2   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         87   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         87   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         87   1   2   .   .   .   .   .   .   .   .   fSH2    87   .   hb1    parsed_1aou   1   
         88   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         88   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         88   1   2   .   .   .   .   .   .   .   .   fSH2    87   .   hb2    parsed_1aou   1   
         89   1   1   .   .   .   .   .   .   .   .   fSH2    89   .   hd*    parsed_1aou   1   
         89   1   1   .   .   .   .   .   .   .   .   fSH2    91   .   hn     parsed_1aou   1   
         89   1   2   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         90   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hg1*   parsed_1aou   1   
         90   1   1   .   .   .   .   .   .   .   .   fSH2   100   .   hd1*   parsed_1aou   1   
         90   1   2   .   .   .   .   .   .   .   .   fSH2    88   .   hn     parsed_1aou   1   
         91   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         91   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         91   1   2   .   .   .   .   .   .   .   .   fSH2    88   .   hn     parsed_1aou   1   
         92   1   1   .   .   .   .   .   .   .   .   fSH2    89   .   hd*    parsed_1aou   1   
         92   1   1   .   .   .   .   .   .   .   .   fSH2    91   .   hn     parsed_1aou   1   
         92   1   2   .   .   .   .   .   .   .   .   fSH2    88   .   hn     parsed_1aou   1   
         93   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hn     parsed_1aou   1   
         93   1   1   .   .   .   .   .   .   .   .   fSH2    87   .   hn     parsed_1aou   1   
         93   1   2   .   .   .   .   .   .   .   .   fSH2    89   .   hn     parsed_1aou   1   
         94   1   1   .   .   .   .   .   .   .   .   fSH2    89   .   hd*    parsed_1aou   1   
         94   1   1   .   .   .   .   .   .   .   .   fSH2    91   .   hn     parsed_1aou   1   
         94   1   2   .   .   .   .   .   .   .   .   fSH2    89   .   hn     parsed_1aou   1   
         95   1   1   .   .   .   .   .   .   .   .   fSH2    89   .   hd*    parsed_1aou   1   
         95   1   1   .   .   .   .   .   .   .   .   fSH2    91   .   hn     parsed_1aou   1   
         95   1   2   .   .   .   .   .   .   .   .   fSH2    90   .   hn     parsed_1aou   1   
         96   1   1   .   .   .   .   .   .   .   .   fSH2    93   .   hb*    parsed_1aou   1   
         96   1   1   .   .   .   .   .   .   .   .   fSH2    94   .   hb*    parsed_1aou   1   
         96   1   2   .   .   .   .   .   .   .   .   fSH2    94   .   hn     parsed_1aou   1   
         97   1   1   .   .   .   .   .   .   .   .   fSH2    93   .   hb*    parsed_1aou   1   
         97   1   1   .   .   .   .   .   .   .   .   fSH2    94   .   hb*    parsed_1aou   1   
         97   1   2   .   .   .   .   .   .   .   .   fSH2    95   .   hn     parsed_1aou   1   
         98   1   1   .   .   .   .   .   .   .   .   fSH2    93   .   hb*    parsed_1aou   1   
         98   1   1   .   .   .   .   .   .   .   .   fSH2    94   .   hb*    parsed_1aou   1   
         98   1   2   .   .   .   .   .   .   .   .   fSH2    96   .   hn     parsed_1aou   1   
         99   1   1   .   .   .   .   .   .   .   .   fSH2    89   .   hd*    parsed_1aou   1   
         99   1   1   .   .   .   .   .   .   .   .   fSH2    91   .   hn     parsed_1aou   1   
         99   1   2   .   .   .   .   .   .   .   .   fSH2    96   .   hn     parsed_1aou   1   
        100   1   1   .   .   .   .   .   .   .   .   fSH2    86   .   hg1*   parsed_1aou   1   
        100   1   1   .   .   .   .   .   .   .   .   fSH2   100   .   hd1*   parsed_1aou   1   
        100   1   2   .   .   .   .   .   .   .   .   fSH2   100   .   hd2*   parsed_1aou   1   
        101   1   1   .   .   .   .   .   .   .   .   fSH2    30   .   hg2*   parsed_1aou   1   
        101   1   1   .   .   .   .   .   .   .   .   fSH2   102   .   hg1*   parsed_1aou   1   
        101   1   2   .   .   .   .   .   .   .   .   fSH2   102   .   hn     parsed_1aou   1   
        102   1   1   .   .   .   .   .   .   .   .   fSH2    31   .   hd*    parsed_1aou   1   
        102   1   1   .   .   .   .   .   .   .   .   fSH2    31   .   he*    parsed_1aou   1   
        102   1   2   .   .   .   .   .   .   .   .   fSH2   102   .   hn     parsed_1aou   1   
        103   1   1   .   .   .   .   .   .   .   .   fSH2   103   .   hb*    parsed_1aou   1   
        103   1   1   .   .   .   .   .   .   .   .   fSH2   103   .   hg*    parsed_1aou   1   
        103   1   2   .   .   .   .   .   .   .   .   fSH2   104   .   hn     parsed_1aou   1   
        104   1   1   .   .   .   .   .   .   .   .   fSH2     2   .   hd1*   parsed_1aou   1   
        104   1   1   .   .   .   .   .   .   .   .   fSH2    33   .   hd1*   parsed_1aou   1   
        104   1   1   .   .   .   .   .   .   .   .   fSH2   101   .   hg1*   parsed_1aou   1   
        104   1   2   .   .   .   .   .   .   .   .   fSH2   105   .   hn     parsed_1aou   1   
        105   1   1   .   .   .   .   .   .   .   .   fSH2   105   .   ha     parsed_1aou   1   
        105   1   1   .   .   .   .   .   .   .   .   fSH2   105   .   hb1    parsed_1aou   1   
        105   1   2   .   .   .   .   .   .   .   .   fSH2   106   .   hn     parsed_1aou   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   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
          2   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
          3   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
          4   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
          5   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
          6   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
          7   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
          8   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
          9   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         10   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         11   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         12   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         13   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         14   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         15   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         16   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         17   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         18   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         19   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         20   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         21   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         22   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         23   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         24   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         25   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         26   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         27   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         28   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         29   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         30   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         31   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         32   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         33   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         34   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         35   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         36   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         37   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         38   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         39   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         40   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         41   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         42   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         43   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         44   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         45   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         46   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         47   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         48   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         49   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         50   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         51   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         52   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         53   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         54   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         55   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         56   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         57   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         58   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         59   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         60   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         61   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         62   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         63   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         64   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         65   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         66   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         67   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         68   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         69   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         70   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         71   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         72   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         73   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         74   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         75   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         76   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         77   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         78   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         79   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         80   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         81   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         82   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         83   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         84   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         85   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         86   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         87   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         88   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         89   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         90   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         91   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         92   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         93   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
         94   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         95   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         96   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         97   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
         98   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   1   
         99   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
        100   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
        101   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
        102   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
        103   1   .   .   .   .   .   0.0   -1.8   2.7   parsed_1aou   1   
        104   1   .   .   .   .   .   0.0   -1.8   5.0   parsed_1aou   1   
        105   1   .   .   .   .   .   0.0   -1.8   3.5   parsed_1aou   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   
;
The ambiguous restraints that are commented out have moved into
the ordinary restraint list at some point during the caluclations
NH-X intensities at 0.2 lev sh2assstp2.mat
STRONG 2.7 (>8 contours)
MEDIUM 3.5 (4<= contours <= 8)
WEAK   5.0 (<4 contours)
Residue E1  (201)
Residue P2  (202)
Residue Q3  (203)
Residue pY4 (204)
;
     1    1    15   19   parsed_1aou   1   
         2   
;
assign (( segid "fSH2" and resid*205 and name ha) or ( segid "fSH2" and resid 38 and name hb ))
(( segid "fSH2" and resid 204 and name hn) or (segid "fSH2" and resid*205 and name hn )) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 204 and name hn) or ( segid "fSH2" and resid*205 and name hn ))
( segid "fSH2" and resid*61 and name ha) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 205 and name ha) or ( segid "fSH2" and resid*38 and name hb ))
( segid "fSH2" and resid*204 and name hd*) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 205 and name ha) or ( segid "fSH2" and resid 38 and name hb ))
( segid "fSH2" and resid 204 and name he*) 0.0 1.8 5.0
;
    31    1    41   56   parsed_1aou   1   
         3   
;
Residue E5  (205)
Residue E6  (206)
Residue I7  (207)
;
    46    1    50   19   parsed_1aou   1   
         4   
;
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* ))
( segid "fSH2" and resid 61 and name hd*  ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* ))
( segid "fSH2" and resid 73 and name hg2* ) 0.0 1.8 5.0
;
    54    1    58   57   parsed_1aou   1   
         5   
;
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* ))
( segid "fSH2" and resid 74 and name hg2* ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* ))
( segid "fSH2" and resid 96 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* ))
( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* ))
( segid "fSH2" and resid 96 and name hd1* ) 0.0 1.8 3.5
X-filtered NOESY shows CH3 207-75HN Xpk; size of contribution unknown
therefore restrain methyls to wtithin 5 A and let stronger restraint
including HG2 75 sort out relative contributions
;
    63    1    77   50   parsed_1aou   1   
         6   
;
Residue P8   (208)
Residue I9   (209)
;
    89    1    91   20   parsed_1aou   1   
         7   "Residue Y10  (210)"     95    1    95   20   parsed_1aou   1   
         8   "Residue L11  (211)"     99    1    99   20   parsed_1aou   1   
         9   
;
Residue S143 (1)
Residue I144 (2)
Residue Q145 (3)
Residue A146 (4)
Residue E147 (5)
;
   103    1   111   18   parsed_1aou   1   
        10   
;
Residue E148 (6)
assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*)
or ( segid "fSH2" and resid 101 and name hg1* ))
( segid "fSH2" and resid 6 and name hn ) 0.0 1.8 5.0
Residue W149 (7)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 96 and name hd1* ))
( segid "fSH2" and resid 7 and name he1) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 86 and name hg2*) or ( segid "fSH2" and resid 96 and name hd2* ))
( segid "fSH2" and resid 7 and name he1) 0.0 1.8 5.0
;
   116    1   126   54   parsed_1aou   1   
        11   
;
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 7 and name hd1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 7 and name he1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 7 and name hz2 ) 0.0 1.8 5.0
;
   131    1   138   55   parsed_1aou   1   
        12   
;
Residue Y150 (8)
assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*)
or ( segid "fSH2" and resid 101 and name hg1* ))
( segid "fSH2" and resid 8 and name hd* ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*)
or ( segid "fSH2" and resid 101 and name hg1* ))
( segid "fSH2" and resid 8 and name he* ) 0.0 1.8 3.5
Residue F151 (9)
;
   143    1   152   18   parsed_1aou   1   
        13   
;
Residue G152 (10)
Residue K153 (11)
Residue L154 (12)
assign (( segid "fSH2" and resid 10 and name ha2) or ( segid "fSH2" and resid 44 and name hb2))
( segid "fSH2" and resid 12 and name hn ) 0.0 1.8 5.0
;
   156    1   162   55   parsed_1aou   1   
        14   
;
Residue G155 (13)
Residue R156 (14)
assign (( segid "fSH2" and resid 18 and name hg2*) or ( segid "fSH2" and resid 37 and name hb* ))
( segid "fSH2" and resid 14 and name hn) 0.0 1.8 5.0
Residue K157 (15)
Residue D158 (16)
Residue A159 (17)
Residue E160 (18)
Residue R161 (19)
;
   166    1   180   19   parsed_1aou   1   
        15   
;
3.5 olp
Residue Q162 (20)
Residue L163 (21)
;
   182   55   186   19   parsed_1aou   1   
        16   "Residue L164 (22)"     190    1   190   19   parsed_1aou   1   
        17   "Residue S165 (23)"     197    1   197   19   parsed_1aou   1   
        18   
;
assign (( segid "fSH2" and resid 26 and name hb*  ) or (segid "fSH2" and resid 48 and name hd*  ))
( segid "fSH2" and resid 22 and name hn ) 0.0 1.8 5.0
Residue F166 (24)
Residue G167 (25)
Residue N168 (26)
assign (( segid "fSH2" and resid 26 and name hb*  ) or (segid "fSH2" and resid 48 and name hd*  ))
( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 21 and name ha ) or (segid "fSH2" and resid 23 and name hb* ))
( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 30 and name hg2* ) or ( segid "fSH2" and resid 102 and name hg1* ))
( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 5.0
Residue P169 (27)
Residue R170 (28)
assign (( segid "fSH2" and resid 45 and name hb*  ) or (segid "fSH2" and resid 48 and name hb*  ))
( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 ))
( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 ))
( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 3.5
Residue G171 (29)
assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 29 and name hn ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 ))
( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 ))
( segid "fSH2" and resid 29 and name hn ) 0.0 1.8 3.5
Residue T172 (30)
assign (( segid "fSH2" and resid 28 and name hb*  ) or (segid "fSH2" and resid 102 and name hb*  ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 30 and name hg2* ) or ( segid "fSH2" and resid 102 and name hg1* ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 27 and name hd1 ) or ( segid "fSH2" and resid 104 and name hb1 ))
( segid "fSH2" and resid 30 and name hg1 ) 0.0 1.8 5.0
;
   204    1   257   56   parsed_1aou   1   
        19   
;
assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
;
   262    1   263   55   parsed_1aou   1   
        20   
;
assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 26 and name hb*  ) or (segid "fSH2" and resid 48 and name hd*  ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
;
   268    1   272   55   parsed_1aou   1   
        21   
;
assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*)
or ( segid "fSH2" and resid 101 and name hg1* ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
Residue F173 (31)
assign (( segid "fSH2" and resid 21 and name hd*  ) or ( segid "fSH2" and resid 22 and name hd2* ))
( segid "fSH2" and resid 31 and name ha ) 0.0 1.8 5.0
;
   277    1   286   55   parsed_1aou   1   
        22   
;
assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 31 and name hn ) 0.0 1.8 5.0
Residue L174 (32)
assign (( segid "fSH2" and resid 17 and name ha ) or ( segid "fSH2" and resid 104 and name hb2 ))
( segid "fSH2" and resid 32 and name hd2* ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 32 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 9 and name hd*)or ( segid "fSH2" and resid 31 and name hd* ))
( segid "fSH2" and resid 32 and name hn ) 0.0 1.8 5.0
Residue I175 (33)
;
   294    1   307   19   parsed_1aou   1   
        23   
;
assign (( segid "fSH2" and resid  2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 33 and name hn ) 0.0 1.8 5.0
Residue R176 (34)
assign (( segid "fSH2" and resid 63 and name hg12 ) or ( segid "fSH2" and resid 33 and name hg2* ))
( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 7 and name hb2  ) or ( segid "fSH2" and resid 43 and name hb2 ))
( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid  2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0
Residue E177 (35)
assign (( segid "fSH2" and resid 8 and name hd*  ) or ( segid "fSH2" and resid 43 and name hd* ))
( segid "fSH2" and resid 35 and name hn ) 0.0 1.8 5.0
Residue S178 (36)
assign (( segid "fSH2" and resid 37 and name ha ) or ( segid "fSH2" and resid 38 and name ha)
or ( segid "fSH2" and resid 38 and name hb ))
( segid "fSH2" and resid 36 and name hb1 ) 0.0 1.8 5.0
;
   311    1   331   56   parsed_1aou   1   
        24   
;
assign (( segid "fSH2" and resid 37 and name ha ) or ( segid "fSH2" and resid 38 and name ha )
or  ( segid "fSH2" and resid 38 and name hb ))
( segid "fSH2" and resid 36 and name hb2 ) 0.0 1.8 5.0
;
   338    1   340   56   parsed_1aou   1   
        25   
;
Residue E179 (37)
Residue T180 (38)
Residue T181 (39)
Residue K182 (40)
Residue G183 (41)
;
   347    1   355   19   parsed_1aou   1   
        26   "Residue A184 (42)"     359    1   359   19   parsed_1aou   1   
        27   
;
Residue Y185 (43)
assign (( segid "fSH2" and resid 41 and name ha1 ) or ( segid "fSH2" and resid 35 and name ha ))
( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 36 and name hb1 ) or ( segid "fSH2" and resid 44 and name hb1 ))
( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 45 and name hd1* ) or ( segid "fSH2" and resid 63 and name hd1* ))
( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid  2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 43 and name hd* ) 0.0 1.8 5.0
Residue S186 (44)
assign (( segid "fSH2" and resid 45 and name hd1* ) or ( segid "fSH2" and resid 63 and name hd1* ))
( segid "fSH2" and resid 44 and name hn ) 0.0 1.8 5.0
;
   363    1   378   55   parsed_1aou   1   
        28   
;
Residue L187 (45)
assign (( segid "fSH2" and resid 63 and name hg12 ) or ( segid "fSH2" and resid 33 and name hg2* ))
( segid "fSH2" and resid 45 and name hn ) 0.0 1.8 5.0
;
   386    1   388   55   parsed_1aou   1   
        29   
;
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 45 and name hd2*) 0.0 1.8 5.0
Residue S188 (46)
assign (( segid "fSH2" and resid 45 and name hd1*)or ( segid "fSH2" and resid 63 and name hd1*))
( segid "fSH2" and resid 46 and name hn ) 0.0 1.8 3.5
Residue I189 (47)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 47 and name hn ) 0.0 1.8 5.0
;
   393    1   402   55   parsed_1aou   1   
        30   
;
Residue R190 (48)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 48 and name ha ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0
;
   407    1   412   55   parsed_1aou   1   
        31   
;
assign (( segid "fSH2" and resid 26 and name hb*  ) or (segid "fSH2" and resid 48 and name hd*  ))
( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0
;
   417    1   418   55   parsed_1aou   1   
        32   "Residue D191 (49)"     423    1   423   19   parsed_1aou   1   
        33   
;
assign (( segid "fSH2" and resid 26 and name hb*  ) or (segid "fSH2" and resid 48 and name hd*  ))
( segid "fSH2" and resid 49 and name hn ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 49 and name hn ) 0.0 1.8 5.0
;
   430    1   434   55   parsed_1aou   1   
        34   
;
Residue W192 (50)
Residue D193 (51)
;
   440    1   442   19   parsed_1aou   1   
        35   "Residue D194 (52)"     452    1   452   19   parsed_1aou   1   
        36   "Residue M195 (53)"     459    1   459   19   parsed_1aou   1   
        37   "Residue K196 (54)"     470    1   470   19   parsed_1aou   1   
        38   "Residue G197 (55)"     474    1   474   19   parsed_1aou   1   
        39   
;
Residue D198 (56)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 56 and name hb1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 56 and name hb2 ) 0.0 1.8 5.0
Residue H199 (57)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 57 and name hn ) 0.0 1.8 5.0
;
   484    1   493   55   parsed_1aou   1   
        40   
;
Residue V200 (58)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 58 and name hn ) 0.0 1.8 5.0
;
   501    1   503   55   parsed_1aou   1   
        41   
;
m.c.
Residue K201 (59)
assign (( segid "fSH2" and resid 46 and name hn  ) or ( segid "fSH2" and resid 47 and name hn ))
( segid "fSH2" and resid 59 and name hn  ) 0.0 1.8 5.0
;
   509   55   513   56   parsed_1aou   1   
        42   
;
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 59 and name hn ) 0.0 1.8 5.0
;
   518    1   519   55   parsed_1aou   1   
        43   
;
m.c.
Residue H202 (60)
;
   522   55   524   19   parsed_1aou   1   
        44   
;
Residue Y203 (61)
Residue K204 (62)
Residue I205 (63)
;
   537    1   541   19   parsed_1aou   1   
        45   
;
Residue R206 (64)
assign (( segid "fSH2" and resid 44 and name ha  ) or ( segid "fSH2" and resid 71 and name ha ))
( segid "fSH2" and resid 64 and name hn  ) 0.0 1.8 5.0
Residue K207 (65)
Residue L208 (66)
assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 ))
( segid "fSH2" and resid 66 and name hn  ) 0.0 1.8 5.0
Residue D209 (67)
Residue N210 (68)
assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 ))
( segid "fSH2" and resid 68 and name hn  ) 0.0 1.8 5.0
Residue G211 (69)
;
   545    1   561   19   parsed_1aou   1   
        46   "Residue G212 (70)"     565    1   565   19   parsed_1aou   1   
        47   
;
Residue Y213 (71)
assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*))
( segid "fSH2" and resid 71 and name hn  ) 0.0 1.8 5.0
;
   569    1   571   56   parsed_1aou   1   
        48   
;
2.7 unable to be satisfied
Residue Y214 (72)
assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*))
( segid "fSH2" and resid 72 and name hn  ) 0.0 1.8 5.0
;
   578   56   582   56   parsed_1aou   1   
        49   
;
assign (( segid "fSH2" and resid 71 and name hb1) or ( segid "fSH2" and resid 72 and name hb2))
( segid "fSH2" and resid 72 and name hn  ) 0.0 1.8 3.5
;
   590    1   591   56   parsed_1aou   1   
        50   
;
Residue I215 (73)
assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*))
( segid "fSH2" and resid 73 and name hn  ) 0.0 1.8 5.0
Residue T216 (74)
Residue T217 (75)
Residue R218 (76)
Residue A219 (77)
Residue Q220 (78)
Residue F221 (79)
assign (( segid "fSH2" and resid 71 and name hb1) or ( segid "fSH2" and resid 72 and name hb2))
( segid "fSH2" and resid 79 and name hn  ) 0.0 1.8 5.0
;
   598    1   614   56   parsed_1aou   1   
        51   
;
assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 ))
( segid "fSH2" and resid 79 and name hn  ) 0.0 1.8 5.0
Residue E222 (80)
Residue T223 (81)
;
   623    1   628   19   parsed_1aou   1   
        52   
;
Residue L224 (82)
assign (( segid "fSH2" and resid  2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 82 and name hb* ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid  2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5
assign (( segid "fSH2" and resid  8 and name he* ) or  ( segid "fSH2" and resid 43 and name he* ))
( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 5.0
;
   632    1   639   56   parsed_1aou   1   
        53   
;
Residue Q225 (83)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 83 and name ha ) 0.0 1.8 5.0
;
   643    1   645   55   parsed_1aou   1   
        54   
;
Residue Q226 (84)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 84 and name hn ) 0.0 1.8 5.0
Residue L227 (85)
;
   650    1   654   19   parsed_1aou   1   
        55   
;
assign (( segid "fSH2" and resid 86 and name hn  ) or ( segid "fSH2" and resid 87 and name hn  ))
( segid "fSH2" and resid 85 and name hd1*) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 86 and name hn  ) or ( segid "fSH2" and resid 87 and name hn  ))
( segid "fSH2" and resid 85 and name hd2*) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 85 and name hn ) 0.0 1.8 5.0
Residue V228 (86)
;
   661    1   670   19   parsed_1aou   1   
        56   "Residue Q229 (87)"     689    1   689   19   parsed_1aou   1   
        57   "Residue H230 (88)"     700    1   700   19   parsed_1aou   1   
        58   
;
Residue Y231 (89)
assign (( segid "fSH2" and resid 86 and name hd1* ) or ( segid "fSH2" and resid 100 and name hd1* ))
( segid "fSH2" and resid 89 and name hb1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 96 and name hd2* ) or ( segid "fSH2" and resid 86 and name hg2* ))
( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0
;
   710    1   718   55   parsed_1aou   1   
        59   
;
Residue S232 (90)
assign (( segid "fSH2" and resid 96 and name hd2* ) or ( segid "fSH2" and resid 86 and name hg2* ))
( segid "fSH2" and resid 90 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 90 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 90 and name hb1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 90 and name hb2 ) 0.0 1.8 5.0
;
   726    1   737   56   parsed_1aou   1   
        60   
;
Residue E233 (91)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 91 and name hn ) 0.0 1.8 5.0
Residue R234 (92)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 92 and name hn ) 0.0 1.8 5.0
Residue A235 (93)
assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb*  ))
( segid "fSH2" and resid 93 and name hn ) 0.0 1.8 2.7
Residue A236 (94)
;
   743    1   755   19   parsed_1aou   1   
        61   "Residue G237 (95)"     759    1   759   19   parsed_1aou   1   
        62   
;
assign (( segid "fSH2" and resid 207 and name hg1* ) or ( segid "fSH2" and resid 209 and name hg1*  ))
( segid "fSH2" and resid 95 and name ha1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 207 and name hg1* ) or ( segid "fSH2" and resid 209 and name hg1*  ))
( segid "fSH2" and resid 95 and name ha2 ) 0.0 1.8 5.0
Residue L238 (96)
;
   763    1   769   19   parsed_1aou   1   
        63   
;
Residue S239 (97)
assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb*  ))
( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0
Residue S240 (98)
assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb*  ))
( segid "fSH2" and resid 98 and name hn ) 0.0 1.8 5.0
Residue R241 (99)
assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb*  ))
( segid "fSH2" and resid 99 and name hn ) 0.0 1.8 3.5
Residue L242 (100)
assign (( segid "fSH2" and resid 45 and name hd1*) or ( segid "fSH2" and resid 47 and name hd1*))
( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 100 and name ha ) 0.0 1.8 5.0
;
   776    1   796   56   parsed_1aou   1   
        64   
;
assign (( segid "fSH2" and resid 86 and name hn  ) or ( segid "fSH2" and resid 87 and name hn  ))
( segid "fSH2" and resid 100 and name hd2*) 0.0 1.8 5.0
Residue V243 (101)
Residue V244 (102)
;
   801    1   806   20   parsed_1aou   1   
        65   
;
assign (( segid "fSH2" and resid 9 and name hd*)or ( segid "fSH2" and resid 31 and name hd* ))
( segid "fSH2" and resid 102 and name hn ) 0.0 1.8 5.0
;
   810    1   811   56   parsed_1aou   1   
        66   
;
Residue 245 (103)
Residue 246 (104)
assign (( segid "fSH2" and resid 27 and name hd1 ) or ( segid "fSH2" and resid 104 and name hb1 ))
( segid "fSH2" and resid 104 and name hn ) 0.0 1.8 5.0
;
   816    1   820   56   parsed_1aou   1   
        67   "Residue 247 (105)"     825    1   825   19   parsed_1aou   1   
        68   "Residue 248 (106)"     830    1   830   19   parsed_1aou   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, March 29, 2024 11:19:29 AM GMT (wattos1)