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
38400 1rg4 6040 cing 2-parsed STAR distance NOE ambi 26


data_1rg4_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1rg4 
    _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_1rg4   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1rg4 
    _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   1rg4   "Master copy"    parsed_1rg4   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1rg4 
    _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   1rg4.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1rg4   1   
        1   1rg4.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"      0   parsed_1rg4   1   
        1   1rg4.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             127   parsed_1rg4   1   
        1   1rg4.mr   .   .    XPLOR/CNS     4    distance                  NOE                 ambi                26   parsed_1rg4   1   
        1   1rg4.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1rg4   1   
        1   1rg4.mr   .   .    XPLOR/CNS     6    distance                 "hydrogen bond"      simple               0   parsed_1rg4   1   
        1   1rg4.mr   .   .    n/a           7    comment                  "Not applicable"    "Not applicable"      0   parsed_1rg4   1   
        1   1rg4.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1rg4   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1rg4 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   2    .   OR   parsed_1rg4   1   
         1   2    .   3   .    parsed_1rg4   1   
         1   3    .   4   .    parsed_1rg4   1   
         1   4    .    .   .    parsed_1rg4   1   
         2   1   2    .   OR   parsed_1rg4   1   
         2   2    .   3   .    parsed_1rg4   1   
         2   3    .   4   .    parsed_1rg4   1   
         2   4    .    .   .    parsed_1rg4   1   
         3   1   2    .   OR   parsed_1rg4   1   
         3   2    .   3   .    parsed_1rg4   1   
         3   3    .   4   .    parsed_1rg4   1   
         3   4    .    .   .    parsed_1rg4   1   
         4   1   2    .   OR   parsed_1rg4   1   
         4   2    .   3   .    parsed_1rg4   1   
         4   3    .    .   .    parsed_1rg4   1   
         5   1   2    .   OR   parsed_1rg4   1   
         5   2    .   3   .    parsed_1rg4   1   
         5   3    .    .   .    parsed_1rg4   1   
         6   1   2    .   OR   parsed_1rg4   1   
         6   2    .   3   .    parsed_1rg4   1   
         6   3    .    .   .    parsed_1rg4   1   
         7   1   2    .   OR   parsed_1rg4   1   
         7   2    .   3   .    parsed_1rg4   1   
         7   3    .    .   .    parsed_1rg4   1   
         8   1   2    .   OR   parsed_1rg4   1   
         8   2    .   3   .    parsed_1rg4   1   
         8   3    .   4   .    parsed_1rg4   1   
         8   4    .    .   .    parsed_1rg4   1   
         9   1   2    .   OR   parsed_1rg4   1   
         9   2    .   3   .    parsed_1rg4   1   
         9   3    .    .   .    parsed_1rg4   1   
        10   1   2    .   OR   parsed_1rg4   1   
        10   2    .   3   .    parsed_1rg4   1   
        10   3    .    .   .    parsed_1rg4   1   
        11   1   2    .   OR   parsed_1rg4   1   
        11   2    .   3   .    parsed_1rg4   1   
        11   3    .    .   .    parsed_1rg4   1   
        12   1   2    .   OR   parsed_1rg4   1   
        12   2    .   3   .    parsed_1rg4   1   
        12   3    .   4   .    parsed_1rg4   1   
        12   4    .   5   .    parsed_1rg4   1   
        12   5    .    .   .    parsed_1rg4   1   
        13   1   2    .   OR   parsed_1rg4   1   
        13   2    .   3   .    parsed_1rg4   1   
        13   3    .    .   .    parsed_1rg4   1   
        14   1   2    .   OR   parsed_1rg4   1   
        14   2    .   3   .    parsed_1rg4   1   
        14   3    .    .   .    parsed_1rg4   1   
        15   1   2    .   OR   parsed_1rg4   1   
        15   2    .   3   .    parsed_1rg4   1   
        15   3    .    .   .    parsed_1rg4   1   
        16   1   2    .   OR   parsed_1rg4   1   
        16   2    .   3   .    parsed_1rg4   1   
        16   3    .   4   .    parsed_1rg4   1   
        16   4    .   5   .    parsed_1rg4   1   
        16   5    .    .   .    parsed_1rg4   1   
        17   1   2    .   OR   parsed_1rg4   1   
        17   2    .   3   .    parsed_1rg4   1   
        17   3    .   4   .    parsed_1rg4   1   
        17   4    .    .   .    parsed_1rg4   1   
        18   1   2    .   OR   parsed_1rg4   1   
        18   2    .   3   .    parsed_1rg4   1   
        18   3    .    .   .    parsed_1rg4   1   
        19   1   2    .   OR   parsed_1rg4   1   
        19   2    .   3   .    parsed_1rg4   1   
        19   3    .   4   .    parsed_1rg4   1   
        19   4    .   5   .    parsed_1rg4   1   
        19   5    .    .   .    parsed_1rg4   1   
        20   1   2    .   OR   parsed_1rg4   1   
        20   2    .   3   .    parsed_1rg4   1   
        20   3    .    .   .    parsed_1rg4   1   
        21   1   2    .   OR   parsed_1rg4   1   
        21   2    .   3   .    parsed_1rg4   1   
        21   3    .   4   .    parsed_1rg4   1   
        21   4    .    .   .    parsed_1rg4   1   
        22   1   2    .   OR   parsed_1rg4   1   
        22   2    .   3   .    parsed_1rg4   1   
        22   3    .    .   .    parsed_1rg4   1   
        23   1   2    .   OR   parsed_1rg4   1   
        23   2    .   3   .    parsed_1rg4   1   
        23   3    .    .   .    parsed_1rg4   1   
        24   1   2    .   OR   parsed_1rg4   1   
        24   2    .   3   .    parsed_1rg4   1   
        24   3    .   4   .    parsed_1rg4   1   
        24   4    .    .   .    parsed_1rg4   1   
        25   1   2    .   OR   parsed_1rg4   1   
        25   2    .   3   .    parsed_1rg4   1   
        25   3    .    .   .    parsed_1rg4   1   
        26   1   2    .   OR   parsed_1rg4   1   
        26   2    .   3   .    parsed_1rg4   1   
        26   3    .    .   .    parsed_1rg4   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   2   1   .   .   .   .   .   .   .   .   .    4   .   HD1#   parsed_1rg4   1   
         1   2   2   .   .   .   .   .   .   .   .   .    6   .   HE2#   parsed_1rg4   1   
         1   3   1   .   .   .   .   .   .   .   .   .    6   .   HE2#   parsed_1rg4   1   
         1   3   2   .   .   .   .   .   .   .   .   .    7   .   HD##   parsed_1rg4   1   
         1   4   1   .   .   .   .   .   .   .   .   .    6   .   HE2#   parsed_1rg4   1   
         1   4   2   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
         2   2   1   .   .   .   .   .   .   .   .   .    4   .   HD1#   parsed_1rg4   1   
         2   2   2   .   .   .   .   .   .   .   .   .    5   .   HD1    parsed_1rg4   1   
         2   3   1   .   .   .   .   .   .   .   .   .    5   .   HD1    parsed_1rg4   1   
         2   3   2   .   .   .   .   .   .   .   .   .    7   .   HD##   parsed_1rg4   1   
         2   4   1   .   .   .   .   .   .   .   .   .    5   .   HD1    parsed_1rg4   1   
         2   4   2   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
         3   2   1   .   .   .   .   .   .   .   .   .    4   .   HD1#   parsed_1rg4   1   
         3   2   2   .   .   .   .   .   .   .   .   .    6   .   HE2#   parsed_1rg4   1   
         3   3   1   .   .   .   .   .   .   .   .   .    6   .   HE2#   parsed_1rg4   1   
         3   3   2   .   .   .   .   .   .   .   .   .    7   .   HD##   parsed_1rg4   1   
         3   4   1   .   .   .   .   .   .   .   .   .    6   .   HE2#   parsed_1rg4   1   
         3   4   2   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
         4   2   1   .   .   .   .   .   .   .   .   .    4   .   HB1    parsed_1rg4   1   
         4   2   2   .   .   .   .   .   .   .   .   .    4   .   HB2    parsed_1rg4   1   
         4   3   1   .   .   .   .   .   .   .   .   .    2   .   HG#    parsed_1rg4   1   
         4   3   2   .   .   .   .   .   .   .   .   .    2   .   HB#    parsed_1rg4   1   
         5   2   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_1rg4   1   
         5   2   2   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_1rg4   1   
         5   3   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_1rg4   1   
         5   3   2   .   .   .   .   .   .   .   .   .    7   .   HA     parsed_1rg4   1   
         6   2   1   .   .   .   .   .   .   .   .   .    5   .   HB#    parsed_1rg4   1   
         6   2   2   .   .   .   .   .   .   .   .   .    7   .   HD##   parsed_1rg4   1   
         6   3   1   .   .   .   .   .   .   .   .   .    5   .   HB#    parsed_1rg4   1   
         6   3   2   .   .   .   .   .   .   .   .   .    4   .   HD1#   parsed_1rg4   1   
         7   2   1   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_1rg4   1   
         7   2   2   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1rg4   1   
         7   3   1   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_1rg4   1   
         7   3   2   .   .   .   .   .   .   .   .   .    4   .   HB2    parsed_1rg4   1   
         8   2   1   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_1rg4   1   
         8   2   2   .   .   .   .   .   .   .   .   .    7   .   HD##   parsed_1rg4   1   
         8   3   1   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_1rg4   1   
         8   3   2   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
         8   4   1   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_1rg4   1   
         8   4   2   .   .   .   .   .   .   .   .   .    4   .   HD1#   parsed_1rg4   1   
         9   2   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1rg4   1   
         9   2   2   .   .   .   .   .   .   .   .   .    7   .   HA     parsed_1rg4   1   
         9   3   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1rg4   1   
         9   3   2   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_1rg4   1   
        10   2   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1rg4   1   
        10   2   2   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1rg4   1   
        10   3   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1rg4   1   
        10   3   2   .   .   .   .   .   .   .   .   .    4   .   HB1    parsed_1rg4   1   
        11   2   1   .   .   .   .   .   .   .   .   .    7   .   HD##   parsed_1rg4   1   
        11   2   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1rg4   1   
        11   3   1   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
        11   3   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1rg4   1   
        12   2   1   .   .   .   .   .   .   .   .   .    7   .   HD##   parsed_1rg4   1   
        12   2   2   .   .   .   .   .   .   .   .   .    8   .   HA     parsed_1rg4   1   
        12   3   1   .   .   .   .   .   .   .   .   .    8   .   HA     parsed_1rg4   1   
        12   3   2   .   .   .   .   .   .   .   .   .   11   .   HD##   parsed_1rg4   1   
        12   4   1   .   .   .   .   .   .   .   .   .    8   .   HA     parsed_1rg4   1   
        12   4   2   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        12   5   1   .   .   .   .   .   .   .   .   .    8   .   HA     parsed_1rg4   1   
        12   5   2   .   .   .   .   .   .   .   .   .   13   .   HD##   parsed_1rg4   1   
        13   2   1   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1rg4   1   
        13   2   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1rg4   1   
        13   3   1   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1rg4   1   
        13   3   2   .   .   .   .   .   .   .   .   .   10   .   HA     parsed_1rg4   1   
        14   2   1   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1rg4   1   
        14   2   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1rg4   1   
        14   3   1   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1rg4   1   
        14   3   2   .   .   .   .   .   .   .   .   .   10   .   HA     parsed_1rg4   1   
        15   2   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_1rg4   1   
        15   2   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1rg4   1   
        15   3   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_1rg4   1   
        15   3   2   .   .   .   .   .   .   .   .   .   10   .   HA     parsed_1rg4   1   
        16   2   1   .   .   .   .   .   .   .   .   .   10   .   HA     parsed_1rg4   1   
        16   2   2   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        16   3   1   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
        16   3   2   .   .   .   .   .   .   .   .   .   10   .   HA     parsed_1rg4   1   
        16   4   1   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
        16   4   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1rg4   1   
        16   5   1   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        16   5   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_1rg4   1   
        17   2   1   .   .   .   .   .   .   .   .   .   10   .   HG#    parsed_1rg4   1   
        17   2   2   .   .   .   .   .   .   .   .   .   11   .   HD##   parsed_1rg4   1   
        17   3   1   .   .   .   .   .   .   .   .   .   11   .   HD##   parsed_1rg4   1   
        17   3   2   .   .   .   .   .   .   .   .   .   14   .   HG#    parsed_1rg4   1   
        17   4   1   .   .   .   .   .   .   .   .   .   11   .   HD##   parsed_1rg4   1   
        17   4   2   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1rg4   1   
        18   2   1   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1rg4   1   
        18   2   2   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_1rg4   1   
        18   3   1   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_1rg4   1   
        18   3   2   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1rg4   1   
        19   2   1   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1rg4   1   
        19   2   2   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        19   3   1   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        19   3   2   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1rg4   1   
        19   4   1   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
        19   4   2   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1rg4   1   
        19   5   1   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
        19   5   2   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1rg4   1   
        20   2   1   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1rg4   1   
        20   2   2   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_1rg4   1   
        20   3   1   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1rg4   1   
        20   3   2   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_1rg4   1   
        21   2   1   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1rg4   1   
        21   2   2   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        21   3   1   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1rg4   1   
        21   3   2   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        21   4   1   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1rg4   1   
        21   4   2   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
        22   2   1   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        22   2   2   .   .   .   .   .   .   .   .   .   16   .   HG     parsed_1rg4   1   
        22   3   1   .   .   .   .   .   .   .   .   .    8   .   HG##   parsed_1rg4   1   
        22   3   2   .   .   .   .   .   .   .   .   .    5   .   HB#    parsed_1rg4   1   
        23   2   1   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1rg4   1   
        23   2   2   .   .   .   .   .   .   .   .   .   14   .   HE     parsed_1rg4   1   
        23   3   1   .   .   .   .   .   .   .   .   .   14   .   HE     parsed_1rg4   1   
        23   3   2   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1rg4   1   
        24   2   1   .   .   .   .   .   .   .   .   .   13   .   HD##   parsed_1rg4   1   
        24   2   2   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_1rg4   1   
        24   3   1   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_1rg4   1   
        24   3   2   .   .   .   .   .   .   .   .   .   12   .   HG##   parsed_1rg4   1   
        24   4   1   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_1rg4   1   
        24   4   2   .   .   .   .   .   .   .   .   .   11   .   HD##   parsed_1rg4   1   
        25   2   1   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1rg4   1   
        25   2   2   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_1rg4   1   
        25   3   1   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_1rg4   1   
        25   3   2   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1rg4   1   
        26   2   1   .   .   .   .   .   .   .   .   .   13   .   HD##   parsed_1rg4   1   
        26   2   2   .   .   .   .   .   .   .   .   .   14   .   HE     parsed_1rg4   1   
        26   3   1   .   .   .   .   .   .   .   .   .   14   .   HE     parsed_1rg4   1   
        26   3   2   .   .   .   .   .   .   .   .   .   11   .   HD##   parsed_1rg4   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   2   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         1   3   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         1   4   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         2   2   .   .   .   .   .   5.0   1.8    9.0   parsed_1rg4   1   
         2   3   .   .   .   .   .   5.0   1.8    9.0   parsed_1rg4   1   
         2   4   .   .   .   .   .   5.0   1.8    9.0   parsed_1rg4   1   
         3   2   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         3   3   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         3   4   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         4   2   .   .   .   .   .   5.0   1.8    7.0   parsed_1rg4   1   
         4   3   .   .   .   .   .   5.0   1.8    7.0   parsed_1rg4   1   
         5   2   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
         5   3   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
         6   2   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   1   
         6   3   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   1   
         7   2   .   .   .   .   .   5.0   1.8    6.0   parsed_1rg4   1   
         7   3   .   .   .   .   .   5.0   1.8    6.0   parsed_1rg4   1   
         8   2   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         8   3   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         8   4   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
         9   2   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
         9   3   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        10   2   .   .   .   .   .   5.0   1.8    6.0   parsed_1rg4   1   
        10   3   .   .   .   .   .   5.0   1.8    6.0   parsed_1rg4   1   
        11   2   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   1   
        11   3   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   1   
        12   2   .   .   .   .   .   5.0   1.8   14.0   parsed_1rg4   1   
        12   3   .   .   .   .   .   5.0   1.8   14.0   parsed_1rg4   1   
        12   4   .   .   .   .   .   5.0   1.8   14.0   parsed_1rg4   1   
        12   5   .   .   .   .   .   5.0   1.8   14.0   parsed_1rg4   1   
        13   2   .   .   .   .   .   5.0   1.8    7.0   parsed_1rg4   1   
        13   3   .   .   .   .   .   5.0   1.8    7.0   parsed_1rg4   1   
        14   2   .   .   .   .   .   5.0   1.8    7.0   parsed_1rg4   1   
        14   3   .   .   .   .   .   5.0   1.8    7.0   parsed_1rg4   1   
        15   2   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        15   3   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        16   2   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        16   3   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        16   4   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        16   5   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        17   2   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        17   3   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        17   4   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        18   2   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        18   3   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        19   2   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        19   3   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        19   4   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        19   5   .   .   .   .   .   5.0   1.8   17.0   parsed_1rg4   1   
        20   2   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        20   3   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        21   2   .   .   .   .   .   5.0   1.8   14.0   parsed_1rg4   1   
        21   3   .   .   .   .   .   5.0   1.8   14.0   parsed_1rg4   1   
        21   4   .   .   .   .   .   5.0   1.8   14.0   parsed_1rg4   1   
        22   2   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
        22   3   .   .   .   .   .   5.0   1.8   12.0   parsed_1rg4   1   
        23   2   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        23   3   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        24   2   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   1   
        24   3   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   1   
        24   4   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   1   
        25   2   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        25   3   .   .   .   .   .   5.0   1.8    5.0   parsed_1rg4   1   
        26   2   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   1   
        26   3   .   .   .   .   .   5.0   1.8   11.0   parsed_1rg4   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   "peak:   32 volume:    0.00 intensity:    0.02 {or}"                                   2   72    2   124   parsed_1rg4   1   
         2    Ambiguous                                                                             1    1    1    13   parsed_1rg4   1   
         3   "peak:  155 volume:    0.17 intensity:    0.23 {or_7_or_8_HD}"                         5   72    5   134   parsed_1rg4   1   
         4   "peak:  209 volume:    0.00 intensity:    0.06 {or}"                                   8   72    8   124   parsed_1rg4   1   
         5   "peak:  353 volume:    0.00 intensity:    8.11  {?}"                                  11   72   11   124   parsed_1rg4   1   
         6   "peak:  458 volume:    0.16 intensity:    0.16  {or_7_HA}"                            13   72   13   130   parsed_1rg4   1   
         7   "peak:  467 volume:    0.04 intensity:    0.05  {or_5_to_4_HD}"                       15   72   15   135   parsed_1rg4   1   
         8   "peak:   19 volume:    0.14 intensity:    0.40  {or_4HB2}"                            17   72   17   130   parsed_1rg4   1   
         9   "peak:   20 volume:    0.00 intensity:    0.04 {or}"                                  19   72   19   124   parsed_1rg4   1   
        10   "peak:  175 volume:    0.26 intensity:    0.61  {or_5HA}"                             22   72   22   129   parsed_1rg4   1   
        11   "peak:  181 volume:    0.01 intensity:    0.24  {or_4_HB}"                            24   72   24   130   parsed_1rg4   1   
        12   "peak:  138 volume:    0.05 intensity:    0.19  {or_8HG2#}"                           26   72   26   131   parsed_1rg4   1   
        13   "peak:  239 volume:    0.10 intensity:    0.18 {or8to11HDor8to12HDor8to13HD}"         28   72   28   149   parsed_1rg4   1   
        14   "peak:  477 volume:    0.00 intensity:    0.64  {?}"                                  32   72   32   124   parsed_1rg4   1   
        15   "peak:  478 volume:    0.00 intensity:    0.59  {?}"                                  34   72   34   124   parsed_1rg4   1   
        16   "peak:  228 volume:    0.03 intensity:    0.32  {or8to10HA}"                          36   72   36   132   parsed_1rg4   1   
        17   "peak:  395 volume:    0.02 intensity:    0.10 {or8HGto10or8HGto9HAor12HGto9HA}"      38   73   38   153   parsed_1rg4   1   
        18   "peak:  491 volume:    0.25 intensity:    0.35 {or11to14HGor11to7HB}"                 42   73   42   142   parsed_1rg4   1   
        19   "peak:  298 volume:    0.13 intensity:    0.75  {or12to13HA}"                         45   72   45   133   parsed_1rg4   1   
        20   "peak:  396 volume:    0.00 intensity:    0.03 {or12to13HAor8HGto11HAor8HGto13HA}"    47   73   47   155   parsed_1rg4   1   
        21   "peak:  487 volume:    0.29 intensity:    0.26  {or13HAto12}"                         51   72   51   133   parsed_1rg4   1   
        22   "peak:  489 volume:    0.06 intensity:    0.05 {or12to13HAor11to8HG}"                 53   72   53   141   parsed_1rg4   1   
        23   "peak:  392 volume:   -0.04 intensity:    0.08  {or8hgto5hb}"                         56   72   56   133   parsed_1rg4   1   
        24   "peak:  327 volume:    0.08 intensity:    0.23  {or14to11HA}"                         58   72   58   133   parsed_1rg4   1   
        25   "peak:  482 volume:    0.13 intensity:    0.13 {or14to12HGor14to11HD}"                60   72   60   142   parsed_1rg4   1   
        26   "peak:  483 volume:    1.15 intensity:    1.19  {or14to11HA}"                         63   72   63   133   parsed_1rg4   1   
        27   "peak:  486 volume:    0.03 intensity:    0.03  {or14to11HD}"                         65   72   65   133   parsed_1rg4   1   
    stop_

save_





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

Contact the webmaster for help, if required. Thursday, May 16, 2024 6:18:29 AM GMT (wattos1)