NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype item_count
474824 2kyd 16980 cing 2-parsed STAR distance hydrogen bond simple 76


data_2kyd_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kyd 
    _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_2kyd   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kyd 
    _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   2kyd   "Master copy"    parsed_2kyd   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kyd 
    _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   2kyd.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"      0   parsed_2kyd   1   
        1   2kyd.mr   .   .    AMBER          2    distance                  NOE                   simple             303   parsed_2kyd   1   
        1   2kyd.mr   .   .    AMBER          3   "dihedral angle"          "Not applicable"      "Not applicable"    572   parsed_2kyd   1   
        1   2kyd.mr   .   .    AMBER          4    unknown                  "Not applicable"      "Not applicable"      0   parsed_2kyd   1   
        1   2kyd.mr   .   .    AMBER          5    distance                 "general distance"     simple             316   parsed_2kyd   1   
        1   2kyd.mr   .   .    AMBER          6   "dipolar coupling"        "Not applicable"      "Not applicable"     42   parsed_2kyd   1   
        1   2kyd.mr   .   .    AMBER          7    distance                 "hydrogen bond"        simple              76   parsed_2kyd   1   
        1   2kyd.mr   .   .    AMBER          8    unknown                  "Not applicable"      "Not applicable"      0   parsed_2kyd   1   
        1   2kyd.mr   .   .    PDB            9    coordinate                initial              "Not applicable"      0   parsed_2kyd   1   
        1   2kyd.mr   .   .   "MR format"    10   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2kyd   1   
    stop_

save_


save_AMBER_distance_constraints_7
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2kyd 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            7 
    _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_2kyd   1   
         2   1   .   .   .   parsed_2kyd   1   
         3   1   .   .   .   parsed_2kyd   1   
         4   1   .   .   .   parsed_2kyd   1   
         5   1   .   .   .   parsed_2kyd   1   
         6   1   .   .   .   parsed_2kyd   1   
         7   1   .   .   .   parsed_2kyd   1   
         8   1   .   .   .   parsed_2kyd   1   
         9   1   .   .   .   parsed_2kyd   1   
        10   1   .   .   .   parsed_2kyd   1   
        11   1   .   .   .   parsed_2kyd   1   
        12   1   .   .   .   parsed_2kyd   1   
        13   1   .   .   .   parsed_2kyd   1   
        14   1   .   .   .   parsed_2kyd   1   
        15   1   .   .   .   parsed_2kyd   1   
        16   1   .   .   .   parsed_2kyd   1   
        17   1   .   .   .   parsed_2kyd   1   
        18   1   .   .   .   parsed_2kyd   1   
        19   1   .   .   .   parsed_2kyd   1   
        20   1   .   .   .   parsed_2kyd   1   
        21   1   .   .   .   parsed_2kyd   1   
        22   1   .   .   .   parsed_2kyd   1   
        23   1   .   .   .   parsed_2kyd   1   
        24   1   .   .   .   parsed_2kyd   1   
        25   1   .   .   .   parsed_2kyd   1   
        26   1   .   .   .   parsed_2kyd   1   
        27   1   .   .   .   parsed_2kyd   1   
        28   1   .   .   .   parsed_2kyd   1   
        29   1   .   .   .   parsed_2kyd   1   
        30   1   .   .   .   parsed_2kyd   1   
        31   1   .   .   .   parsed_2kyd   1   
        32   1   .   .   .   parsed_2kyd   1   
        33   1   .   .   .   parsed_2kyd   1   
        34   1   .   .   .   parsed_2kyd   1   
        35   1   .   .   .   parsed_2kyd   1   
        36   1   .   .   .   parsed_2kyd   1   
        37   1   .   .   .   parsed_2kyd   1   
        38   1   .   .   .   parsed_2kyd   1   
        39   1   .   .   .   parsed_2kyd   1   
        40   1   .   .   .   parsed_2kyd   1   
        41   1   .   .   .   parsed_2kyd   1   
        42   1   .   .   .   parsed_2kyd   1   
        43   1   .   .   .   parsed_2kyd   1   
        44   1   .   .   .   parsed_2kyd   1   
        45   1   .   .   .   parsed_2kyd   1   
        46   1   .   .   .   parsed_2kyd   1   
        47   1   .   .   .   parsed_2kyd   1   
        48   1   .   .   .   parsed_2kyd   1   
        49   1   .   .   .   parsed_2kyd   1   
        50   1   .   .   .   parsed_2kyd   1   
        51   1   .   .   .   parsed_2kyd   1   
        52   1   .   .   .   parsed_2kyd   1   
        53   1   .   .   .   parsed_2kyd   1   
        54   1   .   .   .   parsed_2kyd   1   
        55   1   .   .   .   parsed_2kyd   1   
        56   1   .   .   .   parsed_2kyd   1   
        57   1   .   .   .   parsed_2kyd   1   
        58   1   .   .   .   parsed_2kyd   1   
        59   1   .   .   .   parsed_2kyd   1   
        60   1   .   .   .   parsed_2kyd   1   
        61   1   .   .   .   parsed_2kyd   1   
        62   1   .   .   .   parsed_2kyd   1   
        63   1   .   .   .   parsed_2kyd   1   
        64   1   .   .   .   parsed_2kyd   1   
        65   1   .   .   .   parsed_2kyd   1   
        66   1   .   .   .   parsed_2kyd   1   
        67   1   .   .   .   parsed_2kyd   1   
        68   1   .   .   .   parsed_2kyd   1   
        69   1   .   .   .   parsed_2kyd   1   
        70   1   .   .   .   parsed_2kyd   1   
        71   1   .   .   .   parsed_2kyd   1   
        72   1   .   .   .   parsed_2kyd   1   
        73   1   .   .   .   parsed_2kyd   1   
        74   1   .   .   .   parsed_2kyd   1   
        75   1   .   .   .   parsed_2kyd   1   
        76   1   .   .   .   parsed_2kyd   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   .   .   .   .   .   .   .   .   2kyd_ambr001    1   RC5   N3    parsed_2kyd   1   
         1   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   16   RG3   H1    parsed_2kyd   1   
         2   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    1   RC5   N3    parsed_2kyd   1   
         2   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   16   RG3   N1    parsed_2kyd   1   
         3   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    1   RC5   O2    parsed_2kyd   1   
         3   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   16   RG3   H21   parsed_2kyd   1   
         4   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    1   RC5   O2    parsed_2kyd   1   
         4   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   16   RG3   N2    parsed_2kyd   1   
         5   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    1   RC5   H41   parsed_2kyd   1   
         5   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   16   RG3   O6    parsed_2kyd   1   
         6   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    1   RC5   N4    parsed_2kyd   1   
         6   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   16   RG3   O6    parsed_2kyd   1   
         7   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    2   RU    H3    parsed_2kyd   1   
         7   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   15   RA    N1    parsed_2kyd   1   
         8   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    2   RU    N3    parsed_2kyd   1   
         8   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   15   RA    N1    parsed_2kyd   1   
         9   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    2   RU    O4    parsed_2kyd   1   
         9   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   15   RA    H61   parsed_2kyd   1   
        10   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    2   RU    O4    parsed_2kyd   1   
        10   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   15   RA    N6    parsed_2kyd   1   
        11   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    3   RA    N1    parsed_2kyd   1   
        11   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   14   RU    H3    parsed_2kyd   1   
        12   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    3   RA    N1    parsed_2kyd   1   
        12   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   14   RU    N3    parsed_2kyd   1   
        13   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    3   RA    H61   parsed_2kyd   1   
        13   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   14   RU    O4    parsed_2kyd   1   
        14   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    3   RA    N6    parsed_2kyd   1   
        14   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   14   RU    O4    parsed_2kyd   1   
        15   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    4   RG    H1    parsed_2kyd   1   
        15   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   13   RC    N3    parsed_2kyd   1   
        16   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    4   RG    N1    parsed_2kyd   1   
        16   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   13   RC    N3    parsed_2kyd   1   
        17   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    4   RG    H21   parsed_2kyd   1   
        17   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   13   RC    O2    parsed_2kyd   1   
        18   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    4   RG    N2    parsed_2kyd   1   
        18   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   13   RC    O2    parsed_2kyd   1   
        19   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    4   RG    O6    parsed_2kyd   1   
        19   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   13   RC    H41   parsed_2kyd   1   
        20   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    4   RG    O6    parsed_2kyd   1   
        20   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   13   RC    N4    parsed_2kyd   1   
        21   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    5   RU    H3    parsed_2kyd   1   
        21   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   12   RA    N1    parsed_2kyd   1   
        22   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    5   RU    N3    parsed_2kyd   1   
        22   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   12   RA    N1    parsed_2kyd   1   
        23   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    5   RU    O4    parsed_2kyd   1   
        23   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   12   RA    H61   parsed_2kyd   1   
        24   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    5   RU    O4    parsed_2kyd   1   
        24   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   12   RA    N6    parsed_2kyd   1   
        25   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    6   RU    H3    parsed_2kyd   1   
        25   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   11   RA    N1    parsed_2kyd   1   
        26   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    6   RU    N3    parsed_2kyd   1   
        26   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   11   RA    N1    parsed_2kyd   1   
        27   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    6   RU    O4    parsed_2kyd   1   
        27   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   11   RA    H61   parsed_2kyd   1   
        28   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    6   RU    O4    parsed_2kyd   1   
        28   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   11   RA    N6    parsed_2kyd   1   
        29   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    7   RA    N1    parsed_2kyd   1   
        29   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   10   RU    H3    parsed_2kyd   1   
        30   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    7   RA    N1    parsed_2kyd   1   
        30   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   10   RU    N3    parsed_2kyd   1   
        31   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    7   RA    H61   parsed_2kyd   1   
        31   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   10   RU    O4    parsed_2kyd   1   
        32   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    7   RA    N6    parsed_2kyd   1   
        32   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002   10   RU    O4    parsed_2kyd   1   
        33   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    8   RG    H1    parsed_2kyd   1   
        33   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002    9   RC    N3    parsed_2kyd   1   
        34   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    8   RG    N1    parsed_2kyd   1   
        34   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002    9   RC    N3    parsed_2kyd   1   
        35   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    8   RG    H21   parsed_2kyd   1   
        35   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002    9   RC    O2    parsed_2kyd   1   
        36   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    8   RG    N2    parsed_2kyd   1   
        36   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002    9   RC    O2    parsed_2kyd   1   
        37   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    8   RG    O6    parsed_2kyd   1   
        37   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002    9   RC    H41   parsed_2kyd   1   
        38   1   1   .   .   .   .   .   .   .   .   2kyd_ambr001    8   RG    O6    parsed_2kyd   1   
        38   1   2   .   .   .   .   .   .   .   .   2kyd_ambr002    9   RC    N4    parsed_2kyd   1   
        39   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    1   RC5   N3    parsed_2kyd   1   
        39   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   16   RG3   H1    parsed_2kyd   1   
        40   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    1   RC5   N3    parsed_2kyd   1   
        40   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   16   RG3   N1    parsed_2kyd   1   
        41   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    1   RC5   O2    parsed_2kyd   1   
        41   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   16   RG3   H21   parsed_2kyd   1   
        42   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    1   RC5   O2    parsed_2kyd   1   
        42   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   16   RG3   N2    parsed_2kyd   1   
        43   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    1   RC5   H41   parsed_2kyd   1   
        43   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   16   RG3   O6    parsed_2kyd   1   
        44   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    1   RC5   N4    parsed_2kyd   1   
        44   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   16   RG3   O6    parsed_2kyd   1   
        45   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    2   RU    H3    parsed_2kyd   1   
        45   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   15   RA    N1    parsed_2kyd   1   
        46   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    2   RU    N3    parsed_2kyd   1   
        46   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   15   RA    N1    parsed_2kyd   1   
        47   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    2   RU    O4    parsed_2kyd   1   
        47   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   15   RA    H61   parsed_2kyd   1   
        48   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    2   RU    O4    parsed_2kyd   1   
        48   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   15   RA    N6    parsed_2kyd   1   
        49   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    3   RA    N1    parsed_2kyd   1   
        49   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   14   RU    H3    parsed_2kyd   1   
        50   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    3   RA    N1    parsed_2kyd   1   
        50   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   14   RU    N3    parsed_2kyd   1   
        51   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    3   RA    H61   parsed_2kyd   1   
        51   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   14   RU    O4    parsed_2kyd   1   
        52   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    3   RA    N6    parsed_2kyd   1   
        52   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   14   RU    O4    parsed_2kyd   1   
        53   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    4   RG    H1    parsed_2kyd   1   
        53   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   13   RC    N3    parsed_2kyd   1   
        54   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    4   RG    N1    parsed_2kyd   1   
        54   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   13   RC    N3    parsed_2kyd   1   
        55   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    4   RG    H21   parsed_2kyd   1   
        55   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   13   RC    O2    parsed_2kyd   1   
        56   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    4   RG    N2    parsed_2kyd   1   
        56   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   13   RC    O2    parsed_2kyd   1   
        57   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    4   RG    O6    parsed_2kyd   1   
        57   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   13   RC    H41   parsed_2kyd   1   
        58   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    4   RG    O6    parsed_2kyd   1   
        58   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   13   RC    N4    parsed_2kyd   1   
        59   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    5   RU    H3    parsed_2kyd   1   
        59   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   12   RA    N1    parsed_2kyd   1   
        60   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    5   RU    N3    parsed_2kyd   1   
        60   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   12   RA    N1    parsed_2kyd   1   
        61   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    5   RU    O4    parsed_2kyd   1   
        61   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   12   RA    H61   parsed_2kyd   1   
        62   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    5   RU    O4    parsed_2kyd   1   
        62   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   12   RA    N6    parsed_2kyd   1   
        63   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    6   RU    H3    parsed_2kyd   1   
        63   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   11   RA    N1    parsed_2kyd   1   
        64   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    6   RU    N3    parsed_2kyd   1   
        64   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   11   RA    N1    parsed_2kyd   1   
        65   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    6   RU    O4    parsed_2kyd   1   
        65   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   11   RA    H61   parsed_2kyd   1   
        66   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    6   RU    O4    parsed_2kyd   1   
        66   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   11   RA    N6    parsed_2kyd   1   
        67   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    7   RA    N1    parsed_2kyd   1   
        67   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   10   RU    H3    parsed_2kyd   1   
        68   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    7   RA    N1    parsed_2kyd   1   
        68   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   10   RU    N3    parsed_2kyd   1   
        69   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    7   RA    H61   parsed_2kyd   1   
        69   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   10   RU    O4    parsed_2kyd   1   
        70   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    7   RA    N6    parsed_2kyd   1   
        70   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001   10   RU    O4    parsed_2kyd   1   
        71   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    8   RG    H1    parsed_2kyd   1   
        71   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001    9   RC    N3    parsed_2kyd   1   
        72   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    8   RG    N1    parsed_2kyd   1   
        72   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001    9   RC    N3    parsed_2kyd   1   
        73   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    8   RG    H21   parsed_2kyd   1   
        73   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001    9   RC    O2    parsed_2kyd   1   
        74   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    8   RG    N2    parsed_2kyd   1   
        74   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001    9   RC    O2    parsed_2kyd   1   
        75   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    8   RG    O6    parsed_2kyd   1   
        75   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001    9   RC    H41   parsed_2kyd   1   
        76   1   1   .   .   .   .   .   .   .   .   2kyd_ambr002    8   RG    O6    parsed_2kyd   1   
        76   1   2   .   .   .   .   .   .   .   .   2kyd_ambr001    9   RC    N4    parsed_2kyd   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   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
         2   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
         3   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
         4   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
         5   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
         6   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
         7   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
         8   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
         9   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        10   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        11   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        12   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        13   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        14   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        15   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        16   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        17   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        18   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        19   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        20   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        21   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        22   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        23   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        24   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        25   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        26   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        27   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        28   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        29   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        30   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        31   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        32   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        33   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        34   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        35   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        36   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        37   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        38   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        39   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        40   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        41   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        42   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        43   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        44   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        45   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        46   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        47   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        48   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        49   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        50   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        51   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        52   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        53   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        54   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        55   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        56   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        57   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        58   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        59   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        60   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        61   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        62   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        63   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        64   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        65   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        66   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        67   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        68   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        69   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        70   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        71   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        72   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        73   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        74   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   1   
        75   1   .   .   .   .   .   1.89   1.80   2.39   parsed_2kyd   1   
        76   1   .   .   .   .   .   3.00   1.80   3.50   parsed_2kyd   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  RC N3       32  RG H1         1.89    (#   )"       1   1     2   52   parsed_2kyd   1   
         2   "1  RC N3       32  RG N1         3.00    (#   )"       7   1     8   52   parsed_2kyd   1   
         3   "1  RC O2       32  RG H21        1.89    (#   )"      11   1    12   52   parsed_2kyd   1   
         4   "1  RC O2       32  RG N2         3.00    (#   )"      15   1    16   52   parsed_2kyd   1   
         5   "1  RC H41      32  RG O6         1.89    (#   )"      19   1    20   52   parsed_2kyd   1   
         6   "1  RC N4       32  RG O6         3.00    (#   )"      23   1    24   52   parsed_2kyd   1   
         7   "2  RU H3       31  RA N1         1.89    (#   )"      27   1    28   52   parsed_2kyd   1   
         8   "2  RU N3       31  RA N1         3.00    (#   )"      31   1    32   52   parsed_2kyd   1   
         9   "2  RU O4       31  RA H61        1.89    (#   )"      35   1    36   52   parsed_2kyd   1   
        10   "2  RU O4       31  RA N6         3.00    (#   )"      39   1    40   52   parsed_2kyd   1   
        11   "3  RA N1       30  RU H3         1.89    (#   )"      43   1    44   52   parsed_2kyd   1   
        12   "3  RA N1       30  RU N3         3.00    (#   )"      47   1    48   52   parsed_2kyd   1   
        13   "3  RA H61      30  RU O4         1.89    (#   )"      51   1    52   52   parsed_2kyd   1   
        14   "3  RA N6       30  RU O4         3.00    (#   )"      55   1    56   52   parsed_2kyd   1   
        15   "4  RG H1       29  RC N3         1.89    (#   )"      59   1    60   52   parsed_2kyd   1   
        16   "4  RG N1       29  RC N3         3.00    (#   )"      63   1    64   52   parsed_2kyd   1   
        17   "4  RG H21      29  RC O2         1.89    (#   )"      67   1    68   52   parsed_2kyd   1   
        18   "4  RG N2       29  RC O2         3.00    (#   )"      71   1    72   52   parsed_2kyd   1   
        19   "4  RG O6       29  RC H41        1.89    (#   )"      75   1    76   52   parsed_2kyd   1   
        20   "4  RG O6       29  RC N4         3.00    (#   )"      79   1    80   52   parsed_2kyd   1   
        21   "5  RU H3       28  RA N1         1.89    (#   )"      83   1    84   52   parsed_2kyd   1   
        22   "5  RU N3       28  RA N1         3.00    (#   )"      87   1    88   52   parsed_2kyd   1   
        23   "5  RU O4       28  RA H61        1.89    (#   )"      91   1    92   52   parsed_2kyd   1   
        24   "5  RU O4       28  RA N6         3.00    (#   )"      95   1    96   52   parsed_2kyd   1   
        25   "6  RU H3       27  RA N1         1.89    (#   )"      99   1   100   52   parsed_2kyd   1   
        26   "6  RU N3       27  RA N1         3.00    (#   )"     103   1   104   52   parsed_2kyd   1   
        27   "6  RU O4       27  RA H61        1.89    (#   )"     107   1   108   52   parsed_2kyd   1   
        28   "6  RU O4       27  RA N6         3.00    (#   )"     111   1   112   52   parsed_2kyd   1   
        29   "7  RA N1       26  RU H3         1.89    (#   )"     115   1   116   52   parsed_2kyd   1   
        30   "7  RA N1       26  RU N3         3.00    (#   )"     119   1   120   52   parsed_2kyd   1   
        31   "7  RA H61      26  RU O4         1.89    (#   )"     123   1   124   52   parsed_2kyd   1   
        32   "7  RA N6       26  RU O4         3.00    (#   )"     127   1   128   52   parsed_2kyd   1   
        33   "8  RG H1       25  RC N3         1.89    (#   )"     131   1   132   52   parsed_2kyd   1   
        34   "8  RG N1       25  RC N3         3.00    (#   )"     135   1   136   52   parsed_2kyd   1   
        35   "8  RG H21      25  RC O2         1.89    (#   )"     139   1   140   52   parsed_2kyd   1   
        36   "8  RG N2       25  RC O2         3.00    (#   )"     143   1   144   52   parsed_2kyd   1   
        37   "8  RG O6       25  RC H41        1.89    (#   )"     147   1   148   52   parsed_2kyd   1   
        38   "8  RG O6       25  RC N4         3.00    (#   )"     151   1   152   52   parsed_2kyd   1   
        39   "17  RC N3       16  RG H1         1.89    (#   )"    155   1   156   52   parsed_2kyd   1   
        40   "17  RC N3       16  RG N1         3.00    (#   )"    159   1   160   52   parsed_2kyd   1   
        41   "17  RC O2       16  RG H21        1.89    (#   )"    163   1   164   52   parsed_2kyd   1   
        42   "17  RC O2       16  RG N2         3.00    (#   )"    167   1   168   52   parsed_2kyd   1   
        43   "17  RC H41      16  RG O6         1.89    (#   )"    171   1   172   52   parsed_2kyd   1   
        44   "17  RC N4       16  RG O6         3.00    (#   )"    175   1   176   52   parsed_2kyd   1   
        45   "18  RU H3       15  RA N1         1.89    (#   )"    179   1   180   52   parsed_2kyd   1   
        46   "18  RU N3       15  RA N1         3.00    (#   )"    183   1   184   52   parsed_2kyd   1   
        47   "18  RU O4       15  RA H61        1.89    (#   )"    187   1   188   52   parsed_2kyd   1   
        48   "18  RU O4       15  RA N6         3.00    (#   )"    191   1   192   52   parsed_2kyd   1   
        49   "19  RA N1       14  RU H3         1.89    (#   )"    195   1   196   52   parsed_2kyd   1   
        50   "19  RA N1       14  RU N3         3.00    (#   )"    199   1   200   52   parsed_2kyd   1   
        51   "19  RA H61      14  RU O4         1.89    (#   )"    203   1   204   52   parsed_2kyd   1   
        52   "19  RA N6       14  RU O4         3.00    (#   )"    207   1   208   52   parsed_2kyd   1   
        53   "20  RG H1       13  RC N3         1.89    (#   )"    211   1   212   52   parsed_2kyd   1   
        54   "20  RG N1       13  RC N3         3.00    (#   )"    215   1   216   52   parsed_2kyd   1   
        55   "20  RG H21      13  RC O2         1.89    (#   )"    219   1   220   52   parsed_2kyd   1   
        56   "20  RG N2       13  RC O2         3.00    (#   )"    223   1   224   52   parsed_2kyd   1   
        57   "20  RG O6       13  RC H41        1.89    (#   )"    227   1   228   52   parsed_2kyd   1   
        58   "20  RG O6       13  RC N4         3.00    (#   )"    231   1   232   52   parsed_2kyd   1   
        59   "21  RU H3       12  RA N1         1.89    (#   )"    235   1   236   52   parsed_2kyd   1   
        60   "21  RU N3       12  RA N1         3.00    (#   )"    239   1   240   52   parsed_2kyd   1   
        61   "21  RU O4       12  RA H61        1.89    (#   )"    243   1   244   52   parsed_2kyd   1   
        62   "21  RU O4       12  RA N6         3.00    (#   )"    247   1   248   52   parsed_2kyd   1   
        63   "22  RU H3       11  RA N1         1.89    (#   )"    251   1   252   52   parsed_2kyd   1   
        64   "22  RU N3       11  RA N1         3.00    (#   )"    255   1   256   52   parsed_2kyd   1   
        65   "22  RU O4       11  RA H61        1.89    (#   )"    259   1   260   52   parsed_2kyd   1   
        66   "22  RU O4       11  RA N6         3.00    (#   )"    263   1   264   52   parsed_2kyd   1   
        67   "23  RA N1       10  RU H3         1.89    (#   )"    267   1   268   52   parsed_2kyd   1   
        68   "23  RA N1       10  RU N3         3.00    (#   )"    271   1   272   52   parsed_2kyd   1   
        69   "23  RA H61      10  RU O4         1.89    (#   )"    275   1   276   52   parsed_2kyd   1   
        70   "23  RA N6       10  RU O4         3.00    (#   )"    279   1   280   52   parsed_2kyd   1   
        71   "24  RG H1        9  RC N3         1.89    (#   )"    283   1   284   52   parsed_2kyd   1   
        72   "24  RG N1        9  RC N3         3.00    (#   )"    287   1   288   52   parsed_2kyd   1   
        73   "24  RG H21       9  RC O2         1.89    (#   )"    291   1   292   52   parsed_2kyd   1   
        74   "24  RG N2        9  RC O2         3.00    (#   )"    295   1   296   52   parsed_2kyd   1   
        75   "24  RG O6        9  RC H41        1.89    (#   )"    299   1   300   52   parsed_2kyd   1   
        76   "24  RG O6        9  RC N4         3.00    (#   )"    303   1   304   52   parsed_2kyd   1   
    stop_

save_





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