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
33138 1hry cing 2-parsed STAR distance hydrogen bond simple 70


data_1hry_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1hry 
    _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_1hry   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1hry 
    _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   1hry   "Master copy"    parsed_1hry   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1hry 
    _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   1hry.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    n/a            3    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    XPLOR/CNS      4    distance                  NOE                 simple             864   parsed_1hry   1   
        1   1hry.mr   .   .    XPLOR/CNS      5    distance                 "hydrogen bond"      simple              70   parsed_1hry   1   
        1   1hry.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    XPLOR/CNS      7    distance                 "hydrogen bond"      simple               0   parsed_1hry   1   
        1   1hry.mr   .   .    XPLOR/CNS      8    distance                  NOE                 simple               0   parsed_1hry   1   
        1   1hry.mr   .   .    n/a            9    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    XPLOR/CNS     10    distance                  NOE                 simple               0   parsed_1hry   1   
        1   1hry.mr   .   .    n/a           11    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    XPLOR/CNS     12   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    n/a           13    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    XPLOR/CNS     14   "coupling constant"       "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    n/a           15    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    XPLOR/CNS     16   "chemical shift"          "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    n/a           17    comment                  "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .    PIPP          18   "chemical shift"          "Not applicable"    "Not applicable"      0   parsed_1hry   1   
        1   1hry.mr   .   .   "MR format"    19   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1hry   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1hry 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _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_1hry   1   
         2   1   .   .   .   parsed_1hry   1   
         3   1   .   .   .   parsed_1hry   1   
         4   1   .   .   .   parsed_1hry   1   
         5   1   .   .   .   parsed_1hry   1   
         6   1   .   .   .   parsed_1hry   1   
         7   1   .   .   .   parsed_1hry   1   
         8   1   .   .   .   parsed_1hry   1   
         9   1   .   .   .   parsed_1hry   1   
        10   1   .   .   .   parsed_1hry   1   
        11   1   .   .   .   parsed_1hry   1   
        12   1   .   .   .   parsed_1hry   1   
        13   1   .   .   .   parsed_1hry   1   
        14   1   .   .   .   parsed_1hry   1   
        15   1   .   .   .   parsed_1hry   1   
        16   1   .   .   .   parsed_1hry   1   
        17   1   .   .   .   parsed_1hry   1   
        18   1   .   .   .   parsed_1hry   1   
        19   1   .   .   .   parsed_1hry   1   
        20   1   .   .   .   parsed_1hry   1   
        21   1   .   .   .   parsed_1hry   1   
        22   1   .   .   .   parsed_1hry   1   
        23   1   .   .   .   parsed_1hry   1   
        24   1   .   .   .   parsed_1hry   1   
        25   1   .   .   .   parsed_1hry   1   
        26   1   .   .   .   parsed_1hry   1   
        27   1   .   .   .   parsed_1hry   1   
        28   1   .   .   .   parsed_1hry   1   
        29   1   .   .   .   parsed_1hry   1   
        30   1   .   .   .   parsed_1hry   1   
        31   1   .   .   .   parsed_1hry   1   
        32   1   .   .   .   parsed_1hry   1   
        33   1   .   .   .   parsed_1hry   1   
        34   1   .   .   .   parsed_1hry   1   
        35   1   .   .   .   parsed_1hry   1   
        36   1   .   .   .   parsed_1hry   1   
        37   1   .   .   .   parsed_1hry   1   
        38   1   .   .   .   parsed_1hry   1   
        39   1   .   .   .   parsed_1hry   1   
        40   1   .   .   .   parsed_1hry   1   
        41   1   .   .   .   parsed_1hry   1   
        42   1   .   .   .   parsed_1hry   1   
        43   1   .   .   .   parsed_1hry   1   
        44   1   .   .   .   parsed_1hry   1   
        45   1   .   .   .   parsed_1hry   1   
        46   1   .   .   .   parsed_1hry   1   
        47   1   .   .   .   parsed_1hry   1   
        48   1   .   .   .   parsed_1hry   1   
        49   1   .   .   .   parsed_1hry   1   
        50   1   .   .   .   parsed_1hry   1   
        51   1   .   .   .   parsed_1hry   1   
        52   1   .   .   .   parsed_1hry   1   
        53   1   .   .   .   parsed_1hry   1   
        54   1   .   .   .   parsed_1hry   1   
        55   1   .   .   .   parsed_1hry   1   
        56   1   .   .   .   parsed_1hry   1   
        57   1   .   .   .   parsed_1hry   1   
        58   1   .   .   .   parsed_1hry   1   
        59   1   .   .   .   parsed_1hry   1   
        60   1   .   .   .   parsed_1hry   1   
        61   1   .   .   .   parsed_1hry   1   
        62   1   .   .   .   parsed_1hry   1   
        63   1   .   .   .   parsed_1hry   1   
        64   1   .   .   .   parsed_1hry   1   
        65   1   .   .   .   parsed_1hry   1   
        66   1   .   .   .   parsed_1hry   1   
        67   1   .   .   .   parsed_1hry   1   
        68   1   .   .   .   parsed_1hry   1   
        69   1   .   .   .   parsed_1hry   1   
        70   1   .   .   .   parsed_1hry   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   .   .   .   .   .   .   .   .   .   11   .   O    parsed_1hry   1   
         1   1   2   .   .   .   .   .   .   .   .   .   15   .   N    parsed_1hry   1   
         2   1   1   .   .   .   .   .   .   .   .   .   11   .   O    parsed_1hry   1   
         2   1   2   .   .   .   .   .   .   .   .   .   15   .   HN   parsed_1hry   1   
         3   1   1   .   .   .   .   .   .   .   .   .   12   .   O    parsed_1hry   1   
         3   1   2   .   .   .   .   .   .   .   .   .   16   .   N    parsed_1hry   1   
         4   1   1   .   .   .   .   .   .   .   .   .   12   .   O    parsed_1hry   1   
         4   1   2   .   .   .   .   .   .   .   .   .   16   .   HN   parsed_1hry   1   
         5   1   1   .   .   .   .   .   .   .   .   .   13   .   O    parsed_1hry   1   
         5   1   2   .   .   .   .   .   .   .   .   .   17   .   N    parsed_1hry   1   
         6   1   1   .   .   .   .   .   .   .   .   .   13   .   O    parsed_1hry   1   
         6   1   2   .   .   .   .   .   .   .   .   .   17   .   HN   parsed_1hry   1   
         7   1   1   .   .   .   .   .   .   .   .   .   14   .   O    parsed_1hry   1   
         7   1   2   .   .   .   .   .   .   .   .   .   18   .   N    parsed_1hry   1   
         8   1   1   .   .   .   .   .   .   .   .   .   14   .   O    parsed_1hry   1   
         8   1   2   .   .   .   .   .   .   .   .   .   18   .   HN   parsed_1hry   1   
         9   1   1   .   .   .   .   .   .   .   .   .   15   .   O    parsed_1hry   1   
         9   1   2   .   .   .   .   .   .   .   .   .   19   .   N    parsed_1hry   1   
        10   1   1   .   .   .   .   .   .   .   .   .   15   .   O    parsed_1hry   1   
        10   1   2   .   .   .   .   .   .   .   .   .   19   .   HN   parsed_1hry   1   
        11   1   1   .   .   .   .   .   .   .   .   .   16   .   O    parsed_1hry   1   
        11   1   2   .   .   .   .   .   .   .   .   .   20   .   N    parsed_1hry   1   
        12   1   1   .   .   .   .   .   .   .   .   .   16   .   O    parsed_1hry   1   
        12   1   2   .   .   .   .   .   .   .   .   .   20   .   HN   parsed_1hry   1   
        13   1   1   .   .   .   .   .   .   .   .   .   17   .   O    parsed_1hry   1   
        13   1   2   .   .   .   .   .   .   .   .   .   21   .   N    parsed_1hry   1   
        14   1   1   .   .   .   .   .   .   .   .   .   17   .   O    parsed_1hry   1   
        14   1   2   .   .   .   .   .   .   .   .   .   21   .   HN   parsed_1hry   1   
        15   1   1   .   .   .   .   .   .   .   .   .   18   .   O    parsed_1hry   1   
        15   1   2   .   .   .   .   .   .   .   .   .   22   .   N    parsed_1hry   1   
        16   1   1   .   .   .   .   .   .   .   .   .   18   .   O    parsed_1hry   1   
        16   1   2   .   .   .   .   .   .   .   .   .   22   .   HN   parsed_1hry   1   
        17   1   1   .   .   .   .   .   .   .   .   .   19   .   O    parsed_1hry   1   
        17   1   2   .   .   .   .   .   .   .   .   .   23   .   N    parsed_1hry   1   
        18   1   1   .   .   .   .   .   .   .   .   .   19   .   O    parsed_1hry   1   
        18   1   2   .   .   .   .   .   .   .   .   .   23   .   HN   parsed_1hry   1   
        19   1   1   .   .   .   .   .   .   .   .   .   20   .   O    parsed_1hry   1   
        19   1   2   .   .   .   .   .   .   .   .   .   24   .   N    parsed_1hry   1   
        20   1   1   .   .   .   .   .   .   .   .   .   20   .   O    parsed_1hry   1   
        20   1   2   .   .   .   .   .   .   .   .   .   24   .   HN   parsed_1hry   1   
        21   1   1   .   .   .   .   .   .   .   .   .   21   .   O    parsed_1hry   1   
        21   1   2   .   .   .   .   .   .   .   .   .   25   .   N    parsed_1hry   1   
        22   1   1   .   .   .   .   .   .   .   .   .   21   .   O    parsed_1hry   1   
        22   1   2   .   .   .   .   .   .   .   .   .   25   .   HN   parsed_1hry   1   
        23   1   1   .   .   .   .   .   .   .   .   .   34   .   O    parsed_1hry   1   
        23   1   2   .   .   .   .   .   .   .   .   .   38   .   N    parsed_1hry   1   
        24   1   1   .   .   .   .   .   .   .   .   .   34   .   O    parsed_1hry   1   
        24   1   2   .   .   .   .   .   .   .   .   .   38   .   HN   parsed_1hry   1   
        25   1   1   .   .   .   .   .   .   .   .   .   35   .   O    parsed_1hry   1   
        25   1   2   .   .   .   .   .   .   .   .   .   39   .   N    parsed_1hry   1   
        26   1   1   .   .   .   .   .   .   .   .   .   35   .   O    parsed_1hry   1   
        26   1   2   .   .   .   .   .   .   .   .   .   39   .   HN   parsed_1hry   1   
        27   1   1   .   .   .   .   .   .   .   .   .   36   .   O    parsed_1hry   1   
        27   1   2   .   .   .   .   .   .   .   .   .   40   .   N    parsed_1hry   1   
        28   1   1   .   .   .   .   .   .   .   .   .   36   .   O    parsed_1hry   1   
        28   1   2   .   .   .   .   .   .   .   .   .   40   .   HN   parsed_1hry   1   
        29   1   1   .   .   .   .   .   .   .   .   .   37   .   O    parsed_1hry   1   
        29   1   2   .   .   .   .   .   .   .   .   .   41   .   N    parsed_1hry   1   
        30   1   1   .   .   .   .   .   .   .   .   .   37   .   O    parsed_1hry   1   
        30   1   2   .   .   .   .   .   .   .   .   .   41   .   HN   parsed_1hry   1   
        31   1   1   .   .   .   .   .   .   .   .   .   38   .   O    parsed_1hry   1   
        31   1   2   .   .   .   .   .   .   .   .   .   42   .   N    parsed_1hry   1   
        32   1   1   .   .   .   .   .   .   .   .   .   38   .   O    parsed_1hry   1   
        32   1   2   .   .   .   .   .   .   .   .   .   42   .   HN   parsed_1hry   1   
        33   1   1   .   .   .   .   .   .   .   .   .   39   .   O    parsed_1hry   1   
        33   1   2   .   .   .   .   .   .   .   .   .   43   .   N    parsed_1hry   1   
        34   1   1   .   .   .   .   .   .   .   .   .   39   .   O    parsed_1hry   1   
        34   1   2   .   .   .   .   .   .   .   .   .   43   .   HN   parsed_1hry   1   
        35   1   1   .   .   .   .   .   .   .   .   .   40   .   O    parsed_1hry   1   
        35   1   2   .   .   .   .   .   .   .   .   .   44   .   N    parsed_1hry   1   
        36   1   1   .   .   .   .   .   .   .   .   .   40   .   O    parsed_1hry   1   
        36   1   2   .   .   .   .   .   .   .   .   .   44   .   HN   parsed_1hry   1   
        37   1   1   .   .   .   .   .   .   .   .   .   48   .   O    parsed_1hry   1   
        37   1   2   .   .   .   .   .   .   .   .   .   52   .   N    parsed_1hry   1   
        38   1   1   .   .   .   .   .   .   .   .   .   48   .   O    parsed_1hry   1   
        38   1   2   .   .   .   .   .   .   .   .   .   52   .   HN   parsed_1hry   1   
        39   1   1   .   .   .   .   .   .   .   .   .   50   .   O    parsed_1hry   1   
        39   1   2   .   .   .   .   .   .   .   .   .   54   .   N    parsed_1hry   1   
        40   1   1   .   .   .   .   .   .   .   .   .   50   .   O    parsed_1hry   1   
        40   1   2   .   .   .   .   .   .   .   .   .   54   .   HN   parsed_1hry   1   
        41   1   1   .   .   .   .   .   .   .   .   .   51   .   O    parsed_1hry   1   
        41   1   2   .   .   .   .   .   .   .   .   .   55   .   N    parsed_1hry   1   
        42   1   1   .   .   .   .   .   .   .   .   .   51   .   O    parsed_1hry   1   
        42   1   2   .   .   .   .   .   .   .   .   .   55   .   HN   parsed_1hry   1   
        43   1   1   .   .   .   .   .   .   .   .   .   52   .   O    parsed_1hry   1   
        43   1   2   .   .   .   .   .   .   .   .   .   56   .   N    parsed_1hry   1   
        44   1   1   .   .   .   .   .   .   .   .   .   52   .   O    parsed_1hry   1   
        44   1   2   .   .   .   .   .   .   .   .   .   56   .   HN   parsed_1hry   1   
        45   1   1   .   .   .   .   .   .   .   .   .   54   .   O    parsed_1hry   1   
        45   1   2   .   .   .   .   .   .   .   .   .   58   .   N    parsed_1hry   1   
        46   1   1   .   .   .   .   .   .   .   .   .   54   .   O    parsed_1hry   1   
        46   1   2   .   .   .   .   .   .   .   .   .   58   .   HN   parsed_1hry   1   
        47   1   1   .   .   .   .   .   .   .   .   .   55   .   O    parsed_1hry   1   
        47   1   2   .   .   .   .   .   .   .   .   .   59   .   N    parsed_1hry   1   
        48   1   1   .   .   .   .   .   .   .   .   .   55   .   O    parsed_1hry   1   
        48   1   2   .   .   .   .   .   .   .   .   .   59   .   HN   parsed_1hry   1   
        49   1   1   .   .   .   .   .   .   .   .   .   56   .   O    parsed_1hry   1   
        49   1   2   .   .   .   .   .   .   .   .   .   60   .   N    parsed_1hry   1   
        50   1   1   .   .   .   .   .   .   .   .   .   56   .   O    parsed_1hry   1   
        50   1   2   .   .   .   .   .   .   .   .   .   60   .   HN   parsed_1hry   1   
        51   1   1   .   .   .   .   .   .   .   .   .   57   .   O    parsed_1hry   1   
        51   1   2   .   .   .   .   .   .   .   .   .   61   .   N    parsed_1hry   1   
        52   1   1   .   .   .   .   .   .   .   .   .   57   .   O    parsed_1hry   1   
        52   1   2   .   .   .   .   .   .   .   .   .   61   .   HN   parsed_1hry   1   
        53   1   1   .   .   .   .   .   .   .   .   .   58   .   O    parsed_1hry   1   
        53   1   2   .   .   .   .   .   .   .   .   .   62   .   N    parsed_1hry   1   
        54   1   1   .   .   .   .   .   .   .   .   .   58   .   O    parsed_1hry   1   
        54   1   2   .   .   .   .   .   .   .   .   .   62   .   HN   parsed_1hry   1   
        55   1   1   .   .   .   .   .   .   .   .   .   59   .   O    parsed_1hry   1   
        55   1   2   .   .   .   .   .   .   .   .   .   63   .   N    parsed_1hry   1   
        56   1   1   .   .   .   .   .   .   .   .   .   59   .   O    parsed_1hry   1   
        56   1   2   .   .   .   .   .   .   .   .   .   63   .   HN   parsed_1hry   1   
        57   1   1   .   .   .   .   .   .   .   .   .   60   .   O    parsed_1hry   1   
        57   1   2   .   .   .   .   .   .   .   .   .   64   .   N    parsed_1hry   1   
        58   1   1   .   .   .   .   .   .   .   .   .   60   .   O    parsed_1hry   1   
        58   1   2   .   .   .   .   .   .   .   .   .   64   .   HN   parsed_1hry   1   
        59   1   1   .   .   .   .   .   .   .   .   .   61   .   O    parsed_1hry   1   
        59   1   2   .   .   .   .   .   .   .   .   .   65   .   N    parsed_1hry   1   
        60   1   1   .   .   .   .   .   .   .   .   .   61   .   O    parsed_1hry   1   
        60   1   2   .   .   .   .   .   .   .   .   .   65   .   HN   parsed_1hry   1   
        61   1   1   .   .   .   .   .   .   .   .   .   62   .   O    parsed_1hry   1   
        61   1   2   .   .   .   .   .   .   .   .   .   66   .   N    parsed_1hry   1   
        62   1   1   .   .   .   .   .   .   .   .   .   62   .   O    parsed_1hry   1   
        62   1   2   .   .   .   .   .   .   .   .   .   66   .   HN   parsed_1hry   1   
        63   1   1   .   .   .   .   .   .   .   .   .   63   .   O    parsed_1hry   1   
        63   1   2   .   .   .   .   .   .   .   .   .   67   .   N    parsed_1hry   1   
        64   1   1   .   .   .   .   .   .   .   .   .   63   .   O    parsed_1hry   1   
        64   1   2   .   .   .   .   .   .   .   .   .   67   .   HN   parsed_1hry   1   
        65   1   1   .   .   .   .   .   .   .   .   .   64   .   O    parsed_1hry   1   
        65   1   2   .   .   .   .   .   .   .   .   .   68   .   N    parsed_1hry   1   
        66   1   1   .   .   .   .   .   .   .   .   .   64   .   O    parsed_1hry   1   
        66   1   2   .   .   .   .   .   .   .   .   .   68   .   HN   parsed_1hry   1   
        67   1   1   .   .   .   .   .   .   .   .   .   66   .   O    parsed_1hry   1   
        67   1   2   .   .   .   .   .   .   .   .   .   69   .   HN   parsed_1hry   1   
        68   1   1   .   .   .   .   .   .   .   .   .   66   .   O    parsed_1hry   1   
        68   1   2   .   .   .   .   .   .   .   .   .   69   .   N    parsed_1hry   1   
        69   1   1   .   .   .   .   .   .   .   .   .   69   .   O    parsed_1hry   1   
        69   1   2   .   .   .   .   .   .   .   .   .   72   .   N    parsed_1hry   1   
        70   1   1   .   .   .   .   .   .   .   .   .   69   .   O    parsed_1hry   1   
        70   1   2   .   .   .   .   .   .   .   .   .   72   .   HN   parsed_1hry   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   2.8   2.4   3.8   parsed_1hry   1   
         2   1   .   .   .   .   .   1.8   1.5   2.8   parsed_1hry   1   
         3   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
         4   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
         5   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
         6   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
         7   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
         8   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
         9   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        10   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        11   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        12   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        13   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        14   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        15   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        16   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        17   1   .   .   .   .   .   2.8   2.4   3.6   parsed_1hry   1   
        18   1   .   .   .   .   .   1.8   1.5   2.6   parsed_1hry   1   
        19   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        20   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        21   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        22   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        23   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        24   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        25   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        26   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        27   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        28   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        29   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        30   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        31   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        32   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        33   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        34   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        35   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        36   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        37   1   .   .   .   .   .   2.8   2.4   4.0   parsed_1hry   1   
        38   1   .   .   .   .   .   1.8   1.5   3.0   parsed_1hry   1   
        39   1   .   .   .   .   .   2.8   2.4   4.0   parsed_1hry   1   
        40   1   .   .   .   .   .   1.8   1.5   3.0   parsed_1hry   1   
        41   1   .   .   .   .   .   2.8   2.4   4.0   parsed_1hry   1   
        42   1   .   .   .   .   .   1.8   1.5   3.0   parsed_1hry   1   
        43   1   .   .   .   .   .   2.8   2.4   4.0   parsed_1hry   1   
        44   1   .   .   .   .   .   1.8   1.5   3.0   parsed_1hry   1   
        45   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        46   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        47   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        48   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        49   1   .   .   .   .   .   2.8   2.4   4.0   parsed_1hry   1   
        50   1   .   .   .   .   .   1.8   1.5   3.0   parsed_1hry   1   
        51   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        52   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        53   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        54   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        55   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        56   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        57   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        58   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        59   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        60   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        61   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        62   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        63   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        64   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        65   1   .   .   .   .   .   2.8   2.4   3.5   parsed_1hry   1   
        66   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        67   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   1   
        68   1   .   .   .   .   .   2.8   2.5   3.5   parsed_1hry   1   
        69   1   .   .   .   .   .   2.8   2.5   3.5   parsed_1hry   1   
        70   1   .   .   .   .   .   1.8   1.5   2.5   parsed_1hry   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    *    1   77    1   79   parsed_1hry   1   
         2    *    2   77    2   79   parsed_1hry   1   
         3   
;
assign (resid   33 and  name O    )(resid   37 and  name N    ) 2.8 0.4 0.7
assign (resid   33 and  name O    )(resid   37 and  name HN   ) 1.8 0.3 0.7
;
   23    1   23    1   parsed_1hry   1   
         4    *   39   77   39   79   parsed_1hry   1   
         5    *   40   77   40   79   parsed_1hry   1   
         6    *   41   77   41   79   parsed_1hry   1   
         7    *   42   77   42   79   parsed_1hry   1   
         8    *   43   77   43   79   parsed_1hry   1   
         9    *   44   77   44   79   parsed_1hry   1   
        10    *   45   77   45   79   parsed_1hry   1   
        11    *   46   77   46   79   parsed_1hry   1   
        12    *   51   77   51   79   parsed_1hry   1   
        13    *   52   77   52   79   parsed_1hry   1   
    stop_

save_





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