NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype item_count
32593 1gd4 4828 cing recoord 2-parsed STAR distance hydrogen bond simple 58


data_1gd4_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1gd4 
    _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_1gd4   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1gd4 
    _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   1gd4   "Master copy"    parsed_1gd4   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1gd4 
    _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   1gd4.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1gd4   1   
        1   1gd4.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1813   parsed_1gd4   1   
        1   1gd4.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple               58   parsed_1gd4   1   
        1   1gd4.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1gd4   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1gd4 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _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_1gd4   1   
         2   1   .   .   .   parsed_1gd4   1   
         3   1   .   .   .   parsed_1gd4   1   
         4   1   .   .   .   parsed_1gd4   1   
         5   1   .   .   .   parsed_1gd4   1   
         6   1   .   .   .   parsed_1gd4   1   
         7   1   .   .   .   parsed_1gd4   1   
         8   1   .   .   .   parsed_1gd4   1   
         9   1   .   .   .   parsed_1gd4   1   
        10   1   .   .   .   parsed_1gd4   1   
        11   1   .   .   .   parsed_1gd4   1   
        12   1   .   .   .   parsed_1gd4   1   
        13   1   .   .   .   parsed_1gd4   1   
        14   1   .   .   .   parsed_1gd4   1   
        15   1   .   .   .   parsed_1gd4   1   
        16   1   .   .   .   parsed_1gd4   1   
        17   1   .   .   .   parsed_1gd4   1   
        18   1   .   .   .   parsed_1gd4   1   
        19   1   .   .   .   parsed_1gd4   1   
        20   1   .   .   .   parsed_1gd4   1   
        21   1   .   .   .   parsed_1gd4   1   
        22   1   .   .   .   parsed_1gd4   1   
        23   1   .   .   .   parsed_1gd4   1   
        24   1   .   .   .   parsed_1gd4   1   
        25   1   .   .   .   parsed_1gd4   1   
        26   1   .   .   .   parsed_1gd4   1   
        27   1   .   .   .   parsed_1gd4   1   
        28   1   .   .   .   parsed_1gd4   1   
        29   1   .   .   .   parsed_1gd4   1   
        30   1   .   .   .   parsed_1gd4   1   
        31   1   .   .   .   parsed_1gd4   1   
        32   1   .   .   .   parsed_1gd4   1   
        33   1   .   .   .   parsed_1gd4   1   
        34   1   .   .   .   parsed_1gd4   1   
        35   1   .   .   .   parsed_1gd4   1   
        36   1   .   .   .   parsed_1gd4   1   
        37   1   .   .   .   parsed_1gd4   1   
        38   1   .   .   .   parsed_1gd4   1   
        39   1   .   .   .   parsed_1gd4   1   
        40   1   .   .   .   parsed_1gd4   1   
        41   1   .   .   .   parsed_1gd4   1   
        42   1   .   .   .   parsed_1gd4   1   
        43   1   .   .   .   parsed_1gd4   1   
        44   1   .   .   .   parsed_1gd4   1   
        45   1   .   .   .   parsed_1gd4   1   
        46   1   .   .   .   parsed_1gd4   1   
        47   1   .   .   .   parsed_1gd4   1   
        48   1   .   .   .   parsed_1gd4   1   
        49   1   .   .   .   parsed_1gd4   1   
        50   1   .   .   .   parsed_1gd4   1   
        51   1   .   .   .   parsed_1gd4   1   
        52   1   .   .   .   parsed_1gd4   1   
        53   1   .   .   .   parsed_1gd4   1   
        54   1   .   .   .   parsed_1gd4   1   
        55   1   .   .   .   parsed_1gd4   1   
        56   1   .   .   .   parsed_1gd4   1   
        57   1   .   .   .   parsed_1gd4   1   
        58   1   .   .   .   parsed_1gd4   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   .   .   .   .   .   .   .   .   .   21   .   N    parsed_1gd4   1   
         1   1   2   .   .   .   .   .   .   .   .   .   17   .   O    parsed_1gd4   1   
         2   1   1   .   .   .   .   .   .   .   .   .   21   .   HN   parsed_1gd4   1   
         2   1   2   .   .   .   .   .   .   .   .   .   17   .   O    parsed_1gd4   1   
         3   1   1   .   .   .   .   .   .   .   .   .   22   .   N    parsed_1gd4   1   
         3   1   2   .   .   .   .   .   .   .   .   .   18   .   O    parsed_1gd4   1   
         4   1   1   .   .   .   .   .   .   .   .   .   22   .   HN   parsed_1gd4   1   
         4   1   2   .   .   .   .   .   .   .   .   .   18   .   O    parsed_1gd4   1   
         5   1   1   .   .   .   .   .   .   .   .   .   23   .   N    parsed_1gd4   1   
         5   1   2   .   .   .   .   .   .   .   .   .   19   .   O    parsed_1gd4   1   
         6   1   1   .   .   .   .   .   .   .   .   .   23   .   HN   parsed_1gd4   1   
         6   1   2   .   .   .   .   .   .   .   .   .   19   .   O    parsed_1gd4   1   
         7   1   1   .   .   .   .   .   .   .   .   .   24   .   N    parsed_1gd4   1   
         7   1   2   .   .   .   .   .   .   .   .   .   20   .   O    parsed_1gd4   1   
         8   1   1   .   .   .   .   .   .   .   .   .   24   .   HN   parsed_1gd4   1   
         8   1   2   .   .   .   .   .   .   .   .   .   20   .   O    parsed_1gd4   1   
         9   1   1   .   .   .   .   .   .   .   .   .   27   .   N    parsed_1gd4   1   
         9   1   2   .   .   .   .   .   .   .   .   .   23   .   O    parsed_1gd4   1   
        10   1   1   .   .   .   .   .   .   .   .   .   27   .   HN   parsed_1gd4   1   
        10   1   2   .   .   .   .   .   .   .   .   .   23   .   O    parsed_1gd4   1   
        11   1   1   .   .   .   .   .   .   .   .   .   28   .   N    parsed_1gd4   1   
        11   1   2   .   .   .   .   .   .   .   .   .   24   .   O    parsed_1gd4   1   
        12   1   1   .   .   .   .   .   .   .   .   .   28   .   HN   parsed_1gd4   1   
        12   1   2   .   .   .   .   .   .   .   .   .   24   .   O    parsed_1gd4   1   
        13   1   1   .   .   .   .   .   .   .   .   .   29   .   N    parsed_1gd4   1   
        13   1   2   .   .   .   .   .   .   .   .   .   25   .   O    parsed_1gd4   1   
        14   1   1   .   .   .   .   .   .   .   .   .   29   .   HN   parsed_1gd4   1   
        14   1   2   .   .   .   .   .   .   .   .   .   25   .   O    parsed_1gd4   1   
        15   1   1   .   .   .   .   .   .   .   .   .   30   .   N    parsed_1gd4   1   
        15   1   2   .   .   .   .   .   .   .   .   .   26   .   O    parsed_1gd4   1   
        16   1   1   .   .   .   .   .   .   .   .   .   30   .   HN   parsed_1gd4   1   
        16   1   2   .   .   .   .   .   .   .   .   .   26   .   O    parsed_1gd4   1   
        17   1   1   .   .   .   .   .   .   .   .   .   31   .   N    parsed_1gd4   1   
        17   1   2   .   .   .   .   .   .   .   .   .   27   .   O    parsed_1gd4   1   
        18   1   1   .   .   .   .   .   .   .   .   .   31   .   HN   parsed_1gd4   1   
        18   1   2   .   .   .   .   .   .   .   .   .   27   .   O    parsed_1gd4   1   
        19   1   1   .   .   .   .   .   .   .   .   .   42   .   N    parsed_1gd4   1   
        19   1   2   .   .   .   .   .   .   .   .   .   56   .   O    parsed_1gd4   1   
        20   1   1   .   .   .   .   .   .   .   .   .   42   .   HN   parsed_1gd4   1   
        20   1   2   .   .   .   .   .   .   .   .   .   56   .   O    parsed_1gd4   1   
        21   1   1   .   .   .   .   .   .   .   .   .   56   .   N    parsed_1gd4   1   
        21   1   2   .   .   .   .   .   .   .   .   .   42   .   O    parsed_1gd4   1   
        22   1   1   .   .   .   .   .   .   .   .   .   56   .   HN   parsed_1gd4   1   
        22   1   2   .   .   .   .   .   .   .   .   .   42   .   O    parsed_1gd4   1   
        23   1   1   .   .   .   .   .   .   .   .   .   44   .   N    parsed_1gd4   1   
        23   1   2   .   .   .   .   .   .   .   .   .   54   .   O    parsed_1gd4   1   
        24   1   1   .   .   .   .   .   .   .   .   .   44   .   HN   parsed_1gd4   1   
        24   1   2   .   .   .   .   .   .   .   .   .   54   .   O    parsed_1gd4   1   
        25   1   1   .   .   .   .   .   .   .   .   .   54   .   N    parsed_1gd4   1   
        25   1   2   .   .   .   .   .   .   .   .   .   44   .   O    parsed_1gd4   1   
        26   1   1   .   .   .   .   .   .   .   .   .   54   .   HN   parsed_1gd4   1   
        26   1   2   .   .   .   .   .   .   .   .   .   44   .   O    parsed_1gd4   1   
        27   1   1   .   .   .   .   .   .   .   .   .   46   .   N    parsed_1gd4   1   
        27   1   2   .   .   .   .   .   .   .   .   .   52   .   O    parsed_1gd4   1   
        28   1   1   .   .   .   .   .   .   .   .   .   46   .   HN   parsed_1gd4   1   
        28   1   2   .   .   .   .   .   .   .   .   .   52   .   O    parsed_1gd4   1   
        29   1   1   .   .   .   .   .   .   .   .   .   52   .   N    parsed_1gd4   1   
        29   1   2   .   .   .   .   .   .   .   .   .   46   .   O    parsed_1gd4   1   
        30   1   1   .   .   .   .   .   .   .   .   .   52   .   HN   parsed_1gd4   1   
        30   1   2   .   .   .   .   .   .   .   .   .   46   .   O    parsed_1gd4   1   
        31   1   1   .   .   .   .   .   .   .   .   .   48   .   N    parsed_1gd4   1   
        31   1   2   .   .   .   .   .   .   .   .   .   50   .   O    parsed_1gd4   1   
        32   1   1   .   .   .   .   .   .   .   .   .   48   .   HN   parsed_1gd4   1   
        32   1   2   .   .   .   .   .   .   .   .   .   50   .   O    parsed_1gd4   1   
        33   1   1   .   .   .   .   .   .   .   .   .   59   .   N    parsed_1gd4   1   
        33   1   2   .   .   .   .   .   .   .   .   .   63   .   O    parsed_1gd4   1   
        34   1   1   .   .   .   .   .   .   .   .   .   59   .   HN   parsed_1gd4   1   
        34   1   2   .   .   .   .   .   .   .   .   .   63   .   O    parsed_1gd4   1   
        35   1   1   .   .   .   .   .   .   .   .   .   65   .   N    parsed_1gd4   1   
        35   1   2   .   .   .   .   .   .   .   .   .   57   .   O    parsed_1gd4   1   
        36   1   1   .   .   .   .   .   .   .   .   .   65   .   HN   parsed_1gd4   1   
        36   1   2   .   .   .   .   .   .   .   .   .   57   .   O    parsed_1gd4   1   
        37   1   1   .   .   .   .   .   .   .   .   .   57   .   N    parsed_1gd4   1   
        37   1   2   .   .   .   .   .   .   .   .   .   65   .   O    parsed_1gd4   1   
        38   1   1   .   .   .   .   .   .   .   .   .   57   .   HN   parsed_1gd4   1   
        38   1   2   .   .   .   .   .   .   .   .   .   65   .   O    parsed_1gd4   1   
        39   1   1   .   .   .   .   .   .   .   .   .   67   .   N    parsed_1gd4   1   
        39   1   2   .   .   .   .   .   .   .   .   .   55   .   O    parsed_1gd4   1   
        40   1   1   .   .   .   .   .   .   .   .   .   67   .   HN   parsed_1gd4   1   
        40   1   2   .   .   .   .   .   .   .   .   .   55   .   O    parsed_1gd4   1   
        41   1   1   .   .   .   .   .   .   .   .   .   55   .   N    parsed_1gd4   1   
        41   1   2   .   .   .   .   .   .   .   .   .   67   .   O    parsed_1gd4   1   
        42   1   1   .   .   .   .   .   .   .   .   .   55   .   HN   parsed_1gd4   1   
        42   1   2   .   .   .   .   .   .   .   .   .   67   .   O    parsed_1gd4   1   
        43   1   1   .   .   .   .   .   .   .   .   .   69   .   N    parsed_1gd4   1   
        43   1   2   .   .   .   .   .   .   .   .   .   53   .   O    parsed_1gd4   1   
        44   1   1   .   .   .   .   .   .   .   .   .   69   .   HN   parsed_1gd4   1   
        44   1   2   .   .   .   .   .   .   .   .   .   53   .   O    parsed_1gd4   1   
        45   1   1   .   .   .   .   .   .   .   .   .   53   .   N    parsed_1gd4   1   
        45   1   2   .   .   .   .   .   .   .   .   .   69   .   O    parsed_1gd4   1   
        46   1   1   .   .   .   .   .   .   .   .   .   53   .   HN   parsed_1gd4   1   
        46   1   2   .   .   .   .   .   .   .   .   .   69   .   O    parsed_1gd4   1   
        47   1   1   .   .   .   .   .   .   .   .   .   71   .   N    parsed_1gd4   1   
        47   1   2   .   .   .   .   .   .   .   .   .   51   .   O    parsed_1gd4   1   
        48   1   1   .   .   .   .   .   .   .   .   .   71   .   HN   parsed_1gd4   1   
        48   1   2   .   .   .   .   .   .   .   .   .   51   .   O    parsed_1gd4   1   
        49   1   1   .   .   .   .   .   .   .   .   .   51   .   N    parsed_1gd4   1   
        49   1   2   .   .   .   .   .   .   .   .   .   71   .   O    parsed_1gd4   1   
        50   1   1   .   .   .   .   .   .   .   .   .   51   .   HN   parsed_1gd4   1   
        50   1   2   .   .   .   .   .   .   .   .   .   71   .   O    parsed_1gd4   1   
        51   1   1   .   .   .   .   .   .   .   .   .   66   .   N    parsed_1gd4   1   
        51   1   2   .   .   .   .   .   .   .   .   .   86   .   O    parsed_1gd4   1   
        52   1   1   .   .   .   .   .   .   .   .   .   66   .   HN   parsed_1gd4   1   
        52   1   2   .   .   .   .   .   .   .   .   .   86   .   O    parsed_1gd4   1   
        53   1   1   .   .   .   .   .   .   .   .   .   86   .   N    parsed_1gd4   1   
        53   1   2   .   .   .   .   .   .   .   .   .   66   .   O    parsed_1gd4   1   
        54   1   1   .   .   .   .   .   .   .   .   .   86   .   HN   parsed_1gd4   1   
        54   1   2   .   .   .   .   .   .   .   .   .   66   .   O    parsed_1gd4   1   
        55   1   1   .   .   .   .   .   .   .   .   .   68   .   N    parsed_1gd4   1   
        55   1   2   .   .   .   .   .   .   .   .   .   84   .   O    parsed_1gd4   1   
        56   1   1   .   .   .   .   .   .   .   .   .   68   .   HN   parsed_1gd4   1   
        56   1   2   .   .   .   .   .   .   .   .   .   84   .   O    parsed_1gd4   1   
        57   1   1   .   .   .   .   .   .   .   .   .   84   .   N    parsed_1gd4   1   
        57   1   2   .   .   .   .   .   .   .   .   .   68   .   O    parsed_1gd4   1   
        58   1   1   .   .   .   .   .   .   .   .   .   84   .   HN   parsed_1gd4   1   
        58   1   2   .   .   .   .   .   .   .   .   .   68   .   O    parsed_1gd4   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   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
         2   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
         3   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
         4   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
         5   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
         6   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
         7   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
         8   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
         9   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        10   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        11   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        12   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        13   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        14   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        15   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        16   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        17   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        18   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        19   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        20   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        21   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        22   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        23   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        24   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        25   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        26   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        27   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        28   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        29   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        30   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        31   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        32   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        33   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        34   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        35   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        36   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        37   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        38   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        39   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        40   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        41   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        42   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        43   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        44   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        45   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        46   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        47   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        48   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        49   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        50   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        51   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        52   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        53   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        54   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        55   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        56   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   1   
        57   1   .   .   .   .   .   3.3   2.5   3.5   parsed_1gd4   1   
        58   1   .   .   .   .   .   2.3   1.5   2.5   parsed_1gd4   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 bondings"     1    1    1   21   parsed_1gd4   1   
         2   "D21   Q17"             3   76    3   90   parsed_1gd4   1   
         3   "D21   Q17"             4   76    4   90   parsed_1gd4   1   
         4   "K22   E18"             5   76    5   90   parsed_1gd4   1   
         5   "K22   E18"             6   76    6   90   parsed_1gd4   1   
         6   "V23   I19"             7   76    7   90   parsed_1gd4   1   
         7   "V23   I19"             8   76    8   90   parsed_1gd4   1   
         8   "K24   V20"             9   76    9   90   parsed_1gd4   1   
         9   "K24   V20"            10   76   10   90   parsed_1gd4   1   
        10   "L27   V23"            11   76   11   90   parsed_1gd4   1   
        11   "L27   V23"            12   76   12   90   parsed_1gd4   1   
        12   "E28   K24"            13   76   13   90   parsed_1gd4   1   
        13   "E28   K24"            14   76   14   90   parsed_1gd4   1   
        14   "E29   S25"            15   76   15   90   parsed_1gd4   1   
        15   "E29   S25"            16   76   16   90   parsed_1gd4   1   
        16   "K30   Q26"            17   76   17   90   parsed_1gd4   1   
        17   "K30   Q26"            18   76   18   90   parsed_1gd4   1   
        18   "T31   L27"            19   76   19   90   parsed_1gd4   1   
        19   "T31   L27"            20   76   20   90   parsed_1gd4   1   
        20   "Q42   K56"            21   76   21   90   parsed_1gd4   1   
        21   "Q42   K56"            22   76   22   90   parsed_1gd4   1   
        22   "K56   Q42"            23   76   23   90   parsed_1gd4   1   
        23   "K56   Q42"            24   76   24   90   parsed_1gd4   1   
        24   "K44   Y54"            25   76   25   90   parsed_1gd4   1   
        25   "K44   Y54"            26   76   26   90   parsed_1gd4   1   
        26   "Y54   K44"            27   76   27   90   parsed_1gd4   1   
        27   "Y54   K44"            28   76   28   90   parsed_1gd4   1   
        28   "Q46   N52"            29   76   29   90   parsed_1gd4   1   
        29   "Q46   N52"            30   76   30   90   parsed_1gd4   1   
        30   "N52   Q46"            31   76   31   90   parsed_1gd4   1   
        31   "N52   Q46"            32   76   32   90   parsed_1gd4   1   
        32   "V48   G50"            33   76   33   90   parsed_1gd4   1   
        33   "V48   G50"            34   76   34   90   parsed_1gd4   1   
        34   "A59   K63"            35   76   35   90   parsed_1gd4   1   
        35   "A59   K63"            36   76   36   90   parsed_1gd4   1   
        36   "L65   V57"            37   76   37   90   parsed_1gd4   1   
        37   "L65   V57"            38   76   38   90   parsed_1gd4   1   
        38   "V57   L65"            39   76   39   90   parsed_1gd4   1   
        39   "V57   L65"            40   76   40   90   parsed_1gd4   1   
        40   "L67   I55"            41   76   41   90   parsed_1gd4   1   
        41   "L67   I55"            42   76   42   90   parsed_1gd4   1   
        42   "I55   L67"            43   76   43   90   parsed_1gd4   1   
        43   "I55   L67"            44   76   44   90   parsed_1gd4   1   
        44   "V69   Y53"            45   76   45   90   parsed_1gd4   1   
        45   "V69   Y53"            46   76   46   90   parsed_1gd4   1   
        46   "Y53   V69"            47   76   47   90   parsed_1gd4   1   
        47   "Y53   V69"            48   76   48   90   parsed_1gd4   1   
        48   "K71   T51"            49   76   49   90   parsed_1gd4   1   
        49   "K71   T51"            50   76   50   90   parsed_1gd4   1   
        50   "T51   K71"            51   76   51   90   parsed_1gd4   1   
        51   "T51   K71"            52   76   52   90   parsed_1gd4   1   
        52   "H66   Q86"            53   76   53   90   parsed_1gd4   1   
        53   "H66   Q86"            54   76   54   90   parsed_1gd4   1   
        54   "Q86   H66"            55   76   55   90   parsed_1gd4   1   
        55   "Q86   H66"            56   76   56   90   parsed_1gd4   1   
        56   "K68   G84"            57   76   57   90   parsed_1gd4   1   
        57   "K68   G84"            58   76   58   90   parsed_1gd4   1   
        58   "G84   K68"            59   76   59   90   parsed_1gd4   1   
        59   "G84   K68"            60   76   60   90   parsed_1gd4   1   
    stop_

save_





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