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
29269 1aou cing 2-parsed STAR distance hydrogen bond simple 64


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               64   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_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1aou 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _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   
    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    9   .   hn   parsed_1aou   1   
         1   1   2   .   .   .   .   .   .   .   .   fSH2   33   .   o    parsed_1aou   1   
         2   1   1   .   .   .   .   .   .   .   .   fSH2    9   .   n    parsed_1aou   1   
         2   1   2   .   .   .   .   .   .   .   .   fSH2   33   .   o    parsed_1aou   1   
         3   1   1   .   .   .   .   .   .   .   .   fSH2   18   .   hn   parsed_1aou   1   
         3   1   2   .   .   .   .   .   .   .   .   fSH2   14   .   o    parsed_1aou   1   
         4   1   1   .   .   .   .   .   .   .   .   fSH2   18   .   n    parsed_1aou   1   
         4   1   2   .   .   .   .   .   .   .   .   fSH2   14   .   o    parsed_1aou   1   
         5   1   1   .   .   .   .   .   .   .   .   fSH2   19   .   hn   parsed_1aou   1   
         5   1   2   .   .   .   .   .   .   .   .   fSH2   15   .   o    parsed_1aou   1   
         6   1   1   .   .   .   .   .   .   .   .   fSH2   19   .   n    parsed_1aou   1   
         6   1   2   .   .   .   .   .   .   .   .   fSH2   15   .   o    parsed_1aou   1   
         7   1   1   .   .   .   .   .   .   .   .   fSH2   20   .   hn   parsed_1aou   1   
         7   1   2   .   .   .   .   .   .   .   .   fSH2   16   .   o    parsed_1aou   1   
         8   1   1   .   .   .   .   .   .   .   .   fSH2   20   .   n    parsed_1aou   1   
         8   1   2   .   .   .   .   .   .   .   .   fSH2   16   .   o    parsed_1aou   1   
         9   1   1   .   .   .   .   .   .   .   .   fSH2   21   .   hn   parsed_1aou   1   
         9   1   2   .   .   .   .   .   .   .   .   fSH2   17   .   o    parsed_1aou   1   
        10   1   1   .   .   .   .   .   .   .   .   fSH2   21   .   n    parsed_1aou   1   
        10   1   2   .   .   .   .   .   .   .   .   fSH2   17   .   o    parsed_1aou   1   
        11   1   1   .   .   .   .   .   .   .   .   fSH2   22   .   hn   parsed_1aou   1   
        11   1   2   .   .   .   .   .   .   .   .   fSH2   18   .   o    parsed_1aou   1   
        12   1   1   .   .   .   .   .   .   .   .   fSH2   22   .   n    parsed_1aou   1   
        12   1   2   .   .   .   .   .   .   .   .   fSH2   18   .   o    parsed_1aou   1   
        13   1   1   .   .   .   .   .   .   .   .   fSH2   23   .   hn   parsed_1aou   1   
        13   1   2   .   .   .   .   .   .   .   .   fSH2   19   .   o    parsed_1aou   1   
        14   1   1   .   .   .   .   .   .   .   .   fSH2   23   .   n    parsed_1aou   1   
        14   1   2   .   .   .   .   .   .   .   .   fSH2   19   .   o    parsed_1aou   1   
        15   1   1   .   .   .   .   .   .   .   .   fSH2   32   .   hn   parsed_1aou   1   
        15   1   2   .   .   .   .   .   .   .   .   fSH2   46   .   o    parsed_1aou   1   
        16   1   1   .   .   .   .   .   .   .   .   fSH2   32   .   n    parsed_1aou   1   
        16   1   2   .   .   .   .   .   .   .   .   fSH2   46   .   o    parsed_1aou   1   
        17   1   1   .   .   .   .   .   .   .   .   fSH2   34   .   hn   parsed_1aou   1   
        17   1   2   .   .   .   .   .   .   .   .   fSH2   44   .   o    parsed_1aou   1   
        18   1   1   .   .   .   .   .   .   .   .   fSH2   34   .   n    parsed_1aou   1   
        18   1   2   .   .   .   .   .   .   .   .   fSH2   44   .   o    parsed_1aou   1   
        19   1   1   .   .   .   .   .   .   .   .   fSH2   35   .   hn   parsed_1aou   1   
        19   1   2   .   .   .   .   .   .   .   .   fSH2   10   .   o    parsed_1aou   1   
        20   1   1   .   .   .   .   .   .   .   .   fSH2   35   .   n    parsed_1aou   1   
        20   1   2   .   .   .   .   .   .   .   .   fSH2   10   .   o    parsed_1aou   1   
        21   1   1   .   .   .   .   .   .   .   .   fSH2   36   .   hn   parsed_1aou   1   
        21   1   2   .   .   .   .   .   .   .   .   fSH2   42   .   o    parsed_1aou   1   
        22   1   1   .   .   .   .   .   .   .   .   fSH2   36   .   n    parsed_1aou   1   
        22   1   2   .   .   .   .   .   .   .   .   fSH2   42   .   o    parsed_1aou   1   
        23   1   1   .   .   .   .   .   .   .   .   fSH2   45   .   hn   parsed_1aou   1   
        23   1   2   .   .   .   .   .   .   .   .   fSH2   61   .   o    parsed_1aou   1   
        24   1   1   .   .   .   .   .   .   .   .   fSH2   45   .   n    parsed_1aou   1   
        24   1   2   .   .   .   .   .   .   .   .   fSH2   61   .   o    parsed_1aou   1   
        25   1   1   .   .   .   .   .   .   .   .   fSH2   47   .   hn   parsed_1aou   1   
        25   1   2   .   .   .   .   .   .   .   .   fSH2   59   .   o    parsed_1aou   1   
        26   1   1   .   .   .   .   .   .   .   .   fSH2   47   .   n    parsed_1aou   1   
        26   1   2   .   .   .   .   .   .   .   .   fSH2   59   .   o    parsed_1aou   1   
        27   1   1   .   .   .   .   .   .   .   .   fSH2   48   .   hn   parsed_1aou   1   
        27   1   2   .   .   .   .   .   .   .   .   fSH2   30   .   o    parsed_1aou   1   
        28   1   1   .   .   .   .   .   .   .   .   fSH2   48   .   n    parsed_1aou   1   
        28   1   2   .   .   .   .   .   .   .   .   fSH2   30   .   o    parsed_1aou   1   
        29   1   1   .   .   .   .   .   .   .   .   fSH2   49   .   hn   parsed_1aou   1   
        29   1   2   .   .   .   .   .   .   .   .   fSH2   57   .   o    parsed_1aou   1   
        30   1   1   .   .   .   .   .   .   .   .   fSH2   49   .   n    parsed_1aou   1   
        30   1   2   .   .   .   .   .   .   .   .   fSH2   57   .   o    parsed_1aou   1   
        31   1   1   .   .   .   .   .   .   .   .   fSH2   51   .   hn   parsed_1aou   1   
        31   1   2   .   .   .   .   .   .   .   .   fSH2   55   .   o    parsed_1aou   1   
        32   1   1   .   .   .   .   .   .   .   .   fSH2   51   .   n    parsed_1aou   1   
        32   1   2   .   .   .   .   .   .   .   .   fSH2   55   .   o    parsed_1aou   1   
        33   1   1   .   .   .   .   .   .   .   .   fSH2   59   .   hn   parsed_1aou   1   
        33   1   2   .   .   .   .   .   .   .   .   fSH2   47   .   o    parsed_1aou   1   
        34   1   1   .   .   .   .   .   .   .   .   fSH2   59   .   n    parsed_1aou   1   
        34   1   2   .   .   .   .   .   .   .   .   fSH2   47   .   o    parsed_1aou   1   
        35   1   1   .   .   .   .   .   .   .   .   fSH2   61   .   hn   parsed_1aou   1   
        35   1   2   .   .   .   .   .   .   .   .   fSH2   45   .   o    parsed_1aou   1   
        36   1   1   .   .   .   .   .   .   .   .   fSH2   61   .   n    parsed_1aou   1   
        36   1   2   .   .   .   .   .   .   .   .   fSH2   45   .   o    parsed_1aou   1   
        37   1   1   .   .   .   .   .   .   .   .   fSH2   63   .   hn   parsed_1aou   1   
        37   1   2   .   .   .   .   .   .   .   .   fSH2   43   .   o    parsed_1aou   1   
        38   1   1   .   .   .   .   .   .   .   .   fSH2   63   .   n    parsed_1aou   1   
        38   1   2   .   .   .   .   .   .   .   .   fSH2   43   .   o    parsed_1aou   1   
        39   1   1   .   .   .   .   .   .   .   .   fSH2   64   .   hn   parsed_1aou   1   
        39   1   2   .   .   .   .   .   .   .   .   fSH2   72   .   o    parsed_1aou   1   
        40   1   1   .   .   .   .   .   .   .   .   fSH2   64   .   n    parsed_1aou   1   
        40   1   2   .   .   .   .   .   .   .   .   fSH2   72   .   o    parsed_1aou   1   
        41   1   1   .   .   .   .   .   .   .   .   fSH2   66   .   hn   parsed_1aou   1   
        41   1   2   .   .   .   .   .   .   .   .   fSH2   70   .   o    parsed_1aou   1   
        42   1   1   .   .   .   .   .   .   .   .   fSH2   66   .   n    parsed_1aou   1   
        42   1   2   .   .   .   .   .   .   .   .   fSH2   70   .   o    parsed_1aou   1   
        43   1   1   .   .   .   .   .   .   .   .   fSH2   71   .   hn   parsed_1aou   1   
        43   1   2   .   .   .   .   .   .   .   .   fSH2   79   .   o    parsed_1aou   1   
        44   1   1   .   .   .   .   .   .   .   .   fSH2   71   .   n    parsed_1aou   1   
        44   1   2   .   .   .   .   .   .   .   .   fSH2   79   .   o    parsed_1aou   1   
        45   1   1   .   .   .   .   .   .   .   .   fSH2   72   .   hn   parsed_1aou   1   
        45   1   2   .   .   .   .   .   .   .   .   fSH2   64   .   o    parsed_1aou   1   
        46   1   1   .   .   .   .   .   .   .   .   fSH2   72   .   n    parsed_1aou   1   
        46   1   2   .   .   .   .   .   .   .   .   fSH2   64   .   o    parsed_1aou   1   
        47   1   1   .   .   .   .   .   .   .   .   fSH2   77   .   hn   parsed_1aou   1   
        47   1   2   .   .   .   .   .   .   .   .   fSH2   74   .   o    parsed_1aou   1   
        48   1   1   .   .   .   .   .   .   .   .   fSH2   77   .   n    parsed_1aou   1   
        48   1   2   .   .   .   .   .   .   .   .   fSH2   74   .   o    parsed_1aou   1   
        49   1   1   .   .   .   .   .   .   .   .   fSH2   79   .   hn   parsed_1aou   1   
        49   1   2   .   .   .   .   .   .   .   .   fSH2   71   .   o    parsed_1aou   1   
        50   1   1   .   .   .   .   .   .   .   .   fSH2   79   .   n    parsed_1aou   1   
        50   1   2   .   .   .   .   .   .   .   .   fSH2   71   .   o    parsed_1aou   1   
        51   1   1   .   .   .   .   .   .   .   .   fSH2   85   .   hn   parsed_1aou   1   
        51   1   2   .   .   .   .   .   .   .   .   fSH2   81   .   o    parsed_1aou   1   
        52   1   1   .   .   .   .   .   .   .   .   fSH2   85   .   n    parsed_1aou   1   
        52   1   2   .   .   .   .   .   .   .   .   fSH2   81   .   o    parsed_1aou   1   
        53   1   1   .   .   .   .   .   .   .   .   fSH2   86   .   hn   parsed_1aou   1   
        53   1   2   .   .   .   .   .   .   .   .   fSH2   82   .   o    parsed_1aou   1   
        54   1   1   .   .   .   .   .   .   .   .   fSH2   86   .   n    parsed_1aou   1   
        54   1   2   .   .   .   .   .   .   .   .   fSH2   82   .   o    parsed_1aou   1   
        55   1   1   .   .   .   .   .   .   .   .   fSH2   87   .   hn   parsed_1aou   1   
        55   1   2   .   .   .   .   .   .   .   .   fSH2   83   .   o    parsed_1aou   1   
        56   1   1   .   .   .   .   .   .   .   .   fSH2   87   .   n    parsed_1aou   1   
        56   1   2   .   .   .   .   .   .   .   .   fSH2   83   .   o    parsed_1aou   1   
        57   1   1   .   .   .   .   .   .   .   .   fSH2   88   .   hn   parsed_1aou   1   
        57   1   2   .   .   .   .   .   .   .   .   fSH2   84   .   o    parsed_1aou   1   
        58   1   1   .   .   .   .   .   .   .   .   fSH2   88   .   n    parsed_1aou   1   
        58   1   2   .   .   .   .   .   .   .   .   fSH2   84   .   o    parsed_1aou   1   
        59   1   1   .   .   .   .   .   .   .   .   fSH2   89   .   hn   parsed_1aou   1   
        59   1   2   .   .   .   .   .   .   .   .   fSH2   85   .   o    parsed_1aou   1   
        60   1   1   .   .   .   .   .   .   .   .   fSH2   89   .   n    parsed_1aou   1   
        60   1   2   .   .   .   .   .   .   .   .   fSH2   85   .   o    parsed_1aou   1   
        61   1   1   .   .   .   .   .   .   .   .   fSH2   90   .   hn   parsed_1aou   1   
        61   1   2   .   .   .   .   .   .   .   .   fSH2   86   .   o    parsed_1aou   1   
        62   1   1   .   .   .   .   .   .   .   .   fSH2   90   .   n    parsed_1aou   1   
        62   1   2   .   .   .   .   .   .   .   .   fSH2   86   .   o    parsed_1aou   1   
        63   1   1   .   .   .   .   .   .   .   .   fSH2   92   .   hn   parsed_1aou   1   
        63   1   2   .   .   .   .   .   .   .   .   fSH2   88   .   o    parsed_1aou   1   
        64   1   1   .   .   .   .   .   .   .   .   fSH2   92   .   n    parsed_1aou   1   
        64   1   2   .   .   .   .   .   .   .   .   fSH2   88   .   o    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   -1.5   2.3   parsed_1aou   1   
         2   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
         3   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
         4   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
         5   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
         6   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
         7   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
         8   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
         9   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        10   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        11   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        12   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        13   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        14   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        15   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        16   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        17   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        18   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        19   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        20   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        21   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        22   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        23   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        24   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        25   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        26   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        27   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        28   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        29   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        30   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        31   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        32   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        33   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        34   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        35   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        36   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        37   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        38   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        39   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        40   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        41   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        42   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        43   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        44   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        45   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        46   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        47   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        48   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        49   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        50   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        51   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        52   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        53   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        54   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        55   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        56   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        57   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        58   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        59   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        60   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        61   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        62   1   .   .   .   .   .   0.0   -2.3   3.3   parsed_1aou   1   
        63   1   .   .   .   .   .   0.0   -1.5   2.3   parsed_1aou   1   
        64   1   .   .   .   .   .   0.0   -2.3   3.3   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   
;
HYDROGEN BOND NOES
bA
Residue 151F (9) - Residue 175I (33) (100% unrestrained)
;
     1   1     5   58   parsed_1aou   1   
         2   
;
AA loop
aA
Residue 160E (18) - Residue 156R (14)
;
     9   1    13   39   parsed_1aou   1   
         3   "Residue 161R (19) - Residue 157K (15)"                                     17   1    17   39   parsed_1aou   1   
         4   "Residue 162Q (20) - Residue 158D (16)"                                     21   1    21   39   parsed_1aou   1   
         5   "Residue 163L (21) - Residue 159A (17)"                                     25   1    25   39   parsed_1aou   1   
         6   "Residue 164L (22) - Residue 160E (18)"                                     29   1    29   39   parsed_1aou   1   
         7   "Residue 165S (23) - Residue 161R (19)"                                     33   1    33   39   parsed_1aou   1   
         8   
;
bB
Residue 174L (32) - Residue 188S (46) (60% second round of hbonds & no other acceptor)
;
    37   1    39   88   parsed_1aou   1   
         9   "Residue 176R (34) - Residue 186S (44) (70% unrestrained)"                  43   1    43   58   parsed_1aou   1   
        10   "Residue 177E (35) - Residue 152G (10) (70% unrestrained)"                  47   1    47   58   parsed_1aou   1   
        11   "Residue 178S (36) - Residue 184A (42) (100% unrestrained)"                 51   1    51   59   parsed_1aou   1   
        12   
;
BC loop
bC
Residue 187L (45) - Residue 203Y (61) (90% unrestrained)
;
    55   1    59   58   parsed_1aou   1   
        13   "Residue 189I (47) - Residue 201K (59) (80% unrestrained)"                  63   1    63   58   parsed_1aou   1   
        14   "Residue 190R (48) - Residue 172T (30) (60% in third round of hbonds)"      67   1    67   70   parsed_1aou   1   
        15   "Residue 191D (49) - Residue 199H (57) (90% unrestrained)"                  71   1    71   58   parsed_1aou   1   
        16   
;
CD loop
Residue 193D (51) - Residue 197G (55) (70% unrestrained)
;
    75   1    77   58   parsed_1aou   1   
        17   
;
bD
Residue 201K (59) - Residue 189I (47) (100% unrestrained)
;
    81   1    83   59   parsed_1aou   1   
        18   "Residue 203Y (61) - Residue 187L (45) (90% unrestrained)"                  87   1    87   58   parsed_1aou   1   
        19   "Residue 205I (63) - Residue Y185 (43) (100% unrestrained)"                 91   1    91   59   parsed_1aou   1   
        20   "Residue 206R (64) - Residue 214Y (72) (60% unrestrained)"                  95   1    95   58   parsed_1aou   1   
        21   "Residue 208L (66) - Residue 212G (70) (90% unrestrained)"                  99   1    99   58   parsed_1aou   1   
        22   
;
bE
Residue 213Y (71) - Residue 221F (79) (100% unrestrained)
;
   103   1   105   59   parsed_1aou   1   
        23   "Residue 214Y (72) - Residue 206R (64) (80% in second round of hbonds)"    109   1   109   71   parsed_1aou   1   
        24   
;
bF
Residue 219A (77) - Residue 216T (74) (100% unrestrained)
;
   113   1   115   59   parsed_1aou   1   
        25   "Residue 221F (79) - Residue 213Y (71) (60% fourth round of hbonds)"       119   1   119   68   parsed_1aou   1   
        26   
;
FB loop
aB
Residue 227L (85) - Residue 223T (81)
;
   123   1   127   39   parsed_1aou   1   
        27   "Residue 228V (86) - Residue 224L (82)"                                    131   1   131   39   parsed_1aou   1   
        28   "Residue 229E (87) - Residue 225Q (83)"                                    135   1   135   39   parsed_1aou   1   
        29   "Residue 230H (88) - Residue 226Q (84)"                                    139   1   139   39   parsed_1aou   1   
        30   "Residue 231E (89) - Residue 227 (85)"                                     143   1   143   38   parsed_1aou   1   
        31   "Residue 232S (90) - Residue 228V (86)"                                    147   1   147   39   parsed_1aou   1   
        32   "Residue 234R (92) - Residue 230H (88)"                                    151   1   151   39   parsed_1aou   1   
    stop_

save_





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