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
496060 2l2w 17153 cing 2-parsed STAR distance NOE ambi 38


data_2l2w_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2l2w 
    _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_2l2w   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2l2w 
    _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   2l2w   "Master copy"    parsed_2l2w   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2l2w 
    _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   2l2w.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2l2w   1   
        1   2l2w.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             193   parsed_2l2w   1   
        1   2l2w.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi                38   parsed_2l2w   1   
        1   2l2w.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2l2w   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2l2w 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

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

         1   1   2    .   OR   parsed_2l2w   1   
         1   2    .   3   .    parsed_2l2w   1   
         1   3    .    .   .    parsed_2l2w   1   
         2   1   2    .   OR   parsed_2l2w   1   
         2   2    .   3   .    parsed_2l2w   1   
         2   3    .   4   .    parsed_2l2w   1   
         2   4    .    .   .    parsed_2l2w   1   
         3   1   2    .   OR   parsed_2l2w   1   
         3   2    .   3   .    parsed_2l2w   1   
         3   3    .   4   .    parsed_2l2w   1   
         3   4    .    .   .    parsed_2l2w   1   
         4   1   2    .   OR   parsed_2l2w   1   
         4   2    .   3   .    parsed_2l2w   1   
         4   3    .    .   .    parsed_2l2w   1   
         5   1   2    .   OR   parsed_2l2w   1   
         5   2    .   3   .    parsed_2l2w   1   
         5   3    .    .   .    parsed_2l2w   1   
         6   1   2    .   OR   parsed_2l2w   1   
         6   2    .   3   .    parsed_2l2w   1   
         6   3    .    .   .    parsed_2l2w   1   
         7   1   2    .   OR   parsed_2l2w   1   
         7   2    .   3   .    parsed_2l2w   1   
         7   3    .    .   .    parsed_2l2w   1   
         8   1   2    .   OR   parsed_2l2w   1   
         8   2    .   3   .    parsed_2l2w   1   
         8   3    .    .   .    parsed_2l2w   1   
         9   1   2    .   OR   parsed_2l2w   1   
         9   2    .   3   .    parsed_2l2w   1   
         9   3    .   4   .    parsed_2l2w   1   
         9   4    .    .   .    parsed_2l2w   1   
        10   1   2    .   OR   parsed_2l2w   1   
        10   2    .   3   .    parsed_2l2w   1   
        10   3    .    .   .    parsed_2l2w   1   
        11   1   2    .   OR   parsed_2l2w   1   
        11   2    .   3   .    parsed_2l2w   1   
        11   3    .    .   .    parsed_2l2w   1   
        12   1   2    .   OR   parsed_2l2w   1   
        12   2    .   3   .    parsed_2l2w   1   
        12   3    .    .   .    parsed_2l2w   1   
        13   1   2    .   OR   parsed_2l2w   1   
        13   2    .   3   .    parsed_2l2w   1   
        13   3    .    .   .    parsed_2l2w   1   
        14   1   2    .   OR   parsed_2l2w   1   
        14   2    .   3   .    parsed_2l2w   1   
        14   3    .    .   .    parsed_2l2w   1   
        15   1   2    .   OR   parsed_2l2w   1   
        15   2    .   3   .    parsed_2l2w   1   
        15   3    .    .   .    parsed_2l2w   1   
        16   1   2    .   OR   parsed_2l2w   1   
        16   2    .   3   .    parsed_2l2w   1   
        16   3    .    .   .    parsed_2l2w   1   
        17   1   2    .   OR   parsed_2l2w   1   
        17   2    .   3   .    parsed_2l2w   1   
        17   3    .    .   .    parsed_2l2w   1   
        18   1   2    .   OR   parsed_2l2w   1   
        18   2    .   3   .    parsed_2l2w   1   
        18   3    .   4   .    parsed_2l2w   1   
        18   4    .    .   .    parsed_2l2w   1   
        19   1   2    .   OR   parsed_2l2w   1   
        19   2    .   3   .    parsed_2l2w   1   
        19   3    .    .   .    parsed_2l2w   1   
        20   1   2    .   OR   parsed_2l2w   1   
        20   2    .   3   .    parsed_2l2w   1   
        20   3    .    .   .    parsed_2l2w   1   
        21   1   2    .   OR   parsed_2l2w   1   
        21   2    .   3   .    parsed_2l2w   1   
        21   3    .    .   .    parsed_2l2w   1   
        22   1   2    .   OR   parsed_2l2w   1   
        22   2    .   3   .    parsed_2l2w   1   
        22   3    .    .   .    parsed_2l2w   1   
        23   1   2    .   OR   parsed_2l2w   1   
        23   2    .   3   .    parsed_2l2w   1   
        23   3    .    .   .    parsed_2l2w   1   
        24   1   2    .   OR   parsed_2l2w   1   
        24   2    .   3   .    parsed_2l2w   1   
        24   3    .    .   .    parsed_2l2w   1   
        25   1   2    .   OR   parsed_2l2w   1   
        25   2    .   3   .    parsed_2l2w   1   
        25   3    .    .   .    parsed_2l2w   1   
        26   1   2    .   OR   parsed_2l2w   1   
        26   2    .   3   .    parsed_2l2w   1   
        26   3    .   4   .    parsed_2l2w   1   
        26   4    .    .   .    parsed_2l2w   1   
        27   1   2    .   OR   parsed_2l2w   1   
        27   2    .   3   .    parsed_2l2w   1   
        27   3    .    .   .    parsed_2l2w   1   
        28   1   2    .   OR   parsed_2l2w   1   
        28   2    .   3   .    parsed_2l2w   1   
        28   3    .   4   .    parsed_2l2w   1   
        28   4    .    .   .    parsed_2l2w   1   
        29   1   2    .   OR   parsed_2l2w   1   
        29   2    .   3   .    parsed_2l2w   1   
        29   3    .    .   .    parsed_2l2w   1   
        30   1   2    .   OR   parsed_2l2w   1   
        30   2    .   3   .    parsed_2l2w   1   
        30   3    .   4   .    parsed_2l2w   1   
        30   4    .    .   .    parsed_2l2w   1   
        31   1   2    .   OR   parsed_2l2w   1   
        31   2    .   3   .    parsed_2l2w   1   
        31   3    .    .   .    parsed_2l2w   1   
        32   1   2    .   OR   parsed_2l2w   1   
        32   2    .   3   .    parsed_2l2w   1   
        32   3    .    .   .    parsed_2l2w   1   
        33   1   2    .   OR   parsed_2l2w   1   
        33   2    .   3   .    parsed_2l2w   1   
        33   3    .    .   .    parsed_2l2w   1   
        34   1   2    .   OR   parsed_2l2w   1   
        34   2    .   3   .    parsed_2l2w   1   
        34   3    .    .   .    parsed_2l2w   1   
        35   1   2    .   OR   parsed_2l2w   1   
        35   2    .   3   .    parsed_2l2w   1   
        35   3    .    .   .    parsed_2l2w   1   
        36   1   2    .   OR   parsed_2l2w   1   
        36   2    .   3   .    parsed_2l2w   1   
        36   3    .    .   .    parsed_2l2w   1   
        37   1   2    .   OR   parsed_2l2w   1   
        37   2    .   3   .    parsed_2l2w   1   
        37   3    .    .   .    parsed_2l2w   1   
        38   1   2    .   OR   parsed_2l2w   1   
        38   2    .   3   .    parsed_2l2w   1   
        38   3    .   4   .    parsed_2l2w   1   
        38   4    .   5   .    parsed_2l2w   1   
        38   5    .    .   .    parsed_2l2w   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   .   .   .   .   .   .   .   .   .    0   .   HC3    parsed_2l2w   1   
         1   2   2   .   .   .   .   .   .   .   .   .   12   .   HB     parsed_2l2w   1   
         1   3   1   .   .   .   .   .   .   .   .   .    0   .   HC3    parsed_2l2w   1   
         1   3   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
         2   2   1   .   .   .   .   .   .   .   .   .   12   .   HB     parsed_2l2w   1   
         2   2   2   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_2l2w   1   
         2   3   1   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
         2   3   2   .   .   .   .   .   .   .   .   .   10   .   HG1    parsed_2l2w   1   
         2   4   1   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
         2   4   2   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_2l2w   1   
         3   2   1   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         3   2   2   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
         3   3   1   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         3   3   2   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
         3   4   1   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         3   4   2   .   .   .   .   .   .   .   .   .    1   .   HD1#   parsed_2l2w   1   
         4   2   1   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         4   2   2   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_2l2w   1   
         4   3   1   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         4   3   2   .   .   .   .   .   .   .   .   .   10   .   HG1    parsed_2l2w   1   
         5   2   1   .   .   .   .   .   .   .   .   .   10   .   HG2#   parsed_2l2w   1   
         5   2   2   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         5   3   1   .   .   .   .   .   .   .   .   .    1   .   HG12   parsed_2l2w   1   
         5   3   2   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         6   2   1   .   .   .   .   .   .   .   .   .   10   .   HG2#   parsed_2l2w   1   
         6   2   2   .   .   .   .   .   .   .   .   .   10   .   HG1    parsed_2l2w   1   
         6   3   1   .   .   .   .   .   .   .   .   .    1   .   HG12   parsed_2l2w   1   
         6   3   2   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_2l2w   1   
         7   2   1   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
         7   2   2   .   .   .   .   .   .   .   .   .    0   .   HC5    parsed_2l2w   1   
         7   3   1   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
         7   3   2   .   .   .   .   .   .   .   .   .    0   .   HC5    parsed_2l2w   1   
         8   2   1   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
         8   2   2   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         8   3   1   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
         8   3   2   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
         9   2   1   .   .   .   .   .   .   .   .   .    2   .   H      parsed_2l2w   1   
         9   2   2   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
         9   3   1   .   .   .   .   .   .   .   .   .    2   .   H      parsed_2l2w   1   
         9   3   2   .   .   .   .   .   .   .   .   .    1   .   HD1#   parsed_2l2w   1   
         9   4   1   .   .   .   .   .   .   .   .   .    2   .   H      parsed_2l2w   1   
         9   4   2   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        10   2   1   .   .   .   .   .   .   .   .   .    2   .   HB#    parsed_2l2w   1   
        10   2   2   .   .   .   .   .   .   .   .   .   12   .   HB     parsed_2l2w   1   
        10   3   1   .   .   .   .   .   .   .   .   .    2   .   HB#    parsed_2l2w   1   
        10   3   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        11   2   1   .   .   .   .   .   .   .   .   .   12   .   HA     parsed_2l2w   1   
        11   2   2   .   .   .   .   .   .   .   .   .    4   .   HA     parsed_2l2w   1   
        11   3   1   .   .   .   .   .   .   .   .   .    3   .   HB1    parsed_2l2w   1   
        11   3   2   .   .   .   .   .   .   .   .   .    4   .   HA     parsed_2l2w   1   
        12   2   1   .   .   .   .   .   .   .   .   .    0   .   H13    parsed_2l2w   1   
        12   2   2   .   .   .   .   .   .   .   .   .    0   .   H14#   parsed_2l2w   1   
        12   3   1   .   .   .   .   .   .   .   .   .    3   .   HB2    parsed_2l2w   1   
        12   3   2   .   .   .   .   .   .   .   .   .    0   .   H14#   parsed_2l2w   1   
        13   2   1   .   .   .   .   .   .   .   .   .    0   .   H13    parsed_2l2w   1   
        13   2   2   .   .   .   .   .   .   .   .   .    0   .   HC3    parsed_2l2w   1   
        13   3   1   .   .   .   .   .   .   .   .   .    3   .   HB2    parsed_2l2w   1   
        13   3   2   .   .   .   .   .   .   .   .   .    0   .   HC3    parsed_2l2w   1   
        14   2   1   .   .   .   .   .   .   .   .   .    4   .   HB#    parsed_2l2w   1   
        14   2   2   .   .   .   .   .   .   .   .   .    3   .   HB1    parsed_2l2w   1   
        14   3   1   .   .   .   .   .   .   .   .   .    4   .   HB#    parsed_2l2w   1   
        14   3   2   .   .   .   .   .   .   .   .   .   12   .   HA     parsed_2l2w   1   
        15   2   1   .   .   .   .   .   .   .   .   .    6   .   HB     parsed_2l2w   1   
        15   2   2   .   .   .   .   .   .   .   .   .    0   .   H13    parsed_2l2w   1   
        15   3   1   .   .   .   .   .   .   .   .   .    6   .   HB     parsed_2l2w   1   
        15   3   2   .   .   .   .   .   .   .   .   .    3   .   HB2    parsed_2l2w   1   
        16   2   1   .   .   .   .   .   .   .   .   .    0   .   H14#   parsed_2l2w   1   
        16   2   2   .   .   .   .   .   .   .   .   .    0   .   HC3    parsed_2l2w   1   
        16   3   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        16   3   2   .   .   .   .   .   .   .   .   .    0   .   HC3    parsed_2l2w   1   
        17   2   1   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        17   2   2   .   .   .   .   .   .   .   .   .    0   .   HC71   parsed_2l2w   1   
        17   3   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        17   3   2   .   .   .   .   .   .   .   .   .    0   .   HC71   parsed_2l2w   1   
        18   2   1   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        18   2   2   .   .   .   .   .   .   .   .   .    0   .   HC71   parsed_2l2w   1   
        18   3   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        18   3   2   .   .   .   .   .   .   .   .   .    0   .   HC71   parsed_2l2w   1   
        18   4   1   .   .   .   .   .   .   .   .   .    0   .   H14#   parsed_2l2w   1   
        18   4   2   .   .   .   .   .   .   .   .   .    0   .   HC71   parsed_2l2w   1   
        19   2   1   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        19   2   2   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
        19   3   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        19   3   2   .   .   .   .   .   .   .   .   .    0   .   HC8    parsed_2l2w   1   
        20   2   1   .   .   .   .   .   .   .   .   .    0   .   H14#   parsed_2l2w   1   
        20   2   2   .   .   .   .   .   .   .   .   .    4   .   HA     parsed_2l2w   1   
        20   3   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        20   3   2   .   .   .   .   .   .   .   .   .    4   .   HA     parsed_2l2w   1   
        21   2   1   .   .   .   .   .   .   .   .   .    0   .   H14#   parsed_2l2w   1   
        21   2   2   .   .   .   .   .   .   .   .   .    6   .   HB     parsed_2l2w   1   
        21   3   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        21   3   2   .   .   .   .   .   .   .   .   .    6   .   HB     parsed_2l2w   1   
        22   2   1   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        22   2   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_2l2w   1   
        22   3   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        22   3   2   .   .   .   .   .   .   .   .   .    9   .   HA     parsed_2l2w   1   
        23   2   1   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
        23   2   2   .   .   .   .   .   .   .   .   .    0   .   HC71   parsed_2l2w   1   
        23   3   1   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        23   3   2   .   .   .   .   .   .   .   .   .    0   .   HC71   parsed_2l2w   1   
        24   2   1   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
        24   2   2   .   .   .   .   .   .   .   .   .    2   .   H      parsed_2l2w   1   
        24   3   1   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        24   3   2   .   .   .   .   .   .   .   .   .    2   .   H      parsed_2l2w   1   
        25   2   1   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        25   2   2   .   .   .   .   .   .   .   .   .   10   .   HG1    parsed_2l2w   1   
        25   3   1   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        25   3   2   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_2l2w   1   
        26   2   1   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
        26   2   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        26   3   1   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        26   3   2   .   .   .   .   .   .   .   .   .   12   .   HB     parsed_2l2w   1   
        26   4   1   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        26   4   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        27   2   1   .   .   .   .   .   .   .   .   .   10   .   H      parsed_2l2w   1   
        27   2   2   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        27   3   1   .   .   .   .   .   .   .   .   .   10   .   H      parsed_2l2w   1   
        27   3   2   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        28   2   1   .   .   .   .   .   .   .   .   .    0   .   H14#   parsed_2l2w   1   
        28   2   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        28   3   1   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        28   3   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        28   4   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        28   4   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        29   2   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        29   2   2   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        29   3   1   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        29   3   2   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
        30   2   1   .   .   .   .   .   .   .   .   .    0   .   H14#   parsed_2l2w   1   
        30   2   2   .   .   .   .   .   .   .   .   .    2   .   H      parsed_2l2w   1   
        30   3   1   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        30   3   2   .   .   .   .   .   .   .   .   .    2   .   H      parsed_2l2w   1   
        30   4   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        30   4   2   .   .   .   .   .   .   .   .   .    2   .   H      parsed_2l2w   1   
        31   2   1   .   .   .   .   .   .   .   .   .    7   .   HB     parsed_2l2w   1   
        31   2   2   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        31   3   1   .   .   .   .   .   .   .   .   .   10   .   HD1#   parsed_2l2w   1   
        31   3   2   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        32   2   1   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_2l2w   1   
        32   2   2   .   .   .   .   .   .   .   .   .   12   .   HB     parsed_2l2w   1   
        32   3   1   .   .   .   .   .   .   .   .   .   10   .   HG1    parsed_2l2w   1   
        32   3   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        33   2   1   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_2l2w   1   
        33   2   2   .   .   .   .   .   .   .   .   .    1   .   HA     parsed_2l2w   1   
        33   3   1   .   .   .   .   .   .   .   .   .   10   .   HG1    parsed_2l2w   1   
        33   3   2   .   .   .   .   .   .   .   .   .    1   .   HA     parsed_2l2w   1   
        34   2   1   .   .   .   .   .   .   .   .   .    1   .   HG12   parsed_2l2w   1   
        34   2   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        34   3   1   .   .   .   .   .   .   .   .   .   10   .   HG2#   parsed_2l2w   1   
        34   3   2   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        35   2   1   .   .   .   .   .   .   .   .   .    1   .   HG12   parsed_2l2w   1   
        35   2   2   .   .   .   .   .   .   .   .   .    1   .   HA     parsed_2l2w   1   
        35   3   1   .   .   .   .   .   .   .   .   .   10   .   HG2#   parsed_2l2w   1   
        35   3   2   .   .   .   .   .   .   .   .   .    1   .   HA     parsed_2l2w   1   
        36   2   1   .   .   .   .   .   .   .   .   .    3   .   HB1    parsed_2l2w   1   
        36   2   2   .   .   .   .   .   .   .   .   .    3   .   H      parsed_2l2w   1   
        36   3   1   .   .   .   .   .   .   .   .   .   12   .   HA     parsed_2l2w   1   
        36   3   2   .   .   .   .   .   .   .   .   .    3   .   H      parsed_2l2w   1   
        37   2   1   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        37   2   2   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
        37   3   1   .   .   .   .   .   .   .   .   .   12   .   HB     parsed_2l2w   1   
        37   3   2   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        38   2   1   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        38   2   2   .   .   .   .   .   .   .   .   .    1   .   HG2#   parsed_2l2w   1   
        38   3   1   .   .   .   .   .   .   .   .   .   12   .   HB     parsed_2l2w   1   
        38   3   2   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   1   
        38   4   1   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        38   4   2   .   .   .   .   .   .   .   .   .    1   .   HD1#   parsed_2l2w   1   
        38   5   1   .   .   .   .   .   .   .   .   .    0   .   HC6    parsed_2l2w   1   
        38   5   2   .   .   .   .   .   .   .   .   .    7   .   HG2#   parsed_2l2w   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   .   .   .   .   .   4.45   1.47   6.50   parsed_2l2w   1   
         1   3   .   .   .   .   .   4.45   1.47   6.50   parsed_2l2w   1   
         2   2   .   .   .   .   .   5.61   0.10   6.50   parsed_2l2w   1   
         2   3   .   .   .   .   .   5.61   0.10   6.50   parsed_2l2w   1   
         2   4   .   .   .   .   .   5.61   0.10   6.50   parsed_2l2w   1   
         3   2   .   .   .   .   .   3.72   1.99   5.45   parsed_2l2w   1   
         3   3   .   .   .   .   .   3.72   1.99   5.45   parsed_2l2w   1   
         3   4   .   .   .   .   .   3.72   1.99   5.45   parsed_2l2w   1   
         4   2   .   .   .   .   .   3.87   2.00   5.74   parsed_2l2w   1   
         4   3   .   .   .   .   .   3.87   2.00   5.74   parsed_2l2w   1   
         5   2   .   .   .   .   .   3.54   1.66   5.42   parsed_2l2w   1   
         5   3   .   .   .   .   .   3.54   1.66   5.42   parsed_2l2w   1   
         6   2   .   .   .   .   .   2.90   1.85   3.95   parsed_2l2w   1   
         6   3   .   .   .   .   .   2.90   1.85   3.95   parsed_2l2w   1   
         7   2   .   .   .   .   .   4.11   1.57   6.50   parsed_2l2w   1   
         7   3   .   .   .   .   .   4.11   1.57   6.50   parsed_2l2w   1   
         8   2   .   .   .   .   .   3.38   1.95   4.81   parsed_2l2w   1   
         8   3   .   .   .   .   .   3.38   1.95   4.81   parsed_2l2w   1   
         9   2   .   .   .   .   .   2.41   1.69   3.13   parsed_2l2w   1   
         9   3   .   .   .   .   .   2.41   1.69   3.13   parsed_2l2w   1   
         9   4   .   .   .   .   .   2.41   1.69   3.13   parsed_2l2w   1   
        10   2   .   .   .   .   .   4.53   0.94   6.50   parsed_2l2w   1   
        10   3   .   .   .   .   .   4.53   0.94   6.50   parsed_2l2w   1   
        11   2   .   .   .   .   .   4.49   1.97   6.50   parsed_2l2w   1   
        11   3   .   .   .   .   .   4.49   1.97   6.50   parsed_2l2w   1   
        12   2   .   .   .   .   .   2.33   1.52   3.14   parsed_2l2w   1   
        12   3   .   .   .   .   .   2.33   1.52   3.14   parsed_2l2w   1   
        13   2   .   .   .   .   .   2.98   1.87   4.09   parsed_2l2w   1   
        13   3   .   .   .   .   .   2.98   1.87   4.09   parsed_2l2w   1   
        14   2   .   .   .   .   .   4.16   1.99   6.33   parsed_2l2w   1   
        14   3   .   .   .   .   .   4.16   1.99   6.33   parsed_2l2w   1   
        15   2   .   .   .   .   .   5.25   0.00   6.50   parsed_2l2w   1   
        15   3   .   .   .   .   .   5.25   0.00   6.50   parsed_2l2w   1   
        16   2   .   .   .   .   .   2.83   1.83   3.83   parsed_2l2w   1   
        16   3   .   .   .   .   .   2.83   1.83   3.83   parsed_2l2w   1   
        17   2   .   .   .   .   .   2.94   1.21   4.67   parsed_2l2w   1   
        17   3   .   .   .   .   .   2.94   1.21   4.67   parsed_2l2w   1   
        18   2   .   .   .   .   .   2.98   1.42   4.54   parsed_2l2w   1   
        18   3   .   .   .   .   .   2.98   1.42   4.54   parsed_2l2w   1   
        18   4   .   .   .   .   .   2.98   1.42   4.54   parsed_2l2w   1   
        19   2   .   .   .   .   .   2.68   1.78   3.58   parsed_2l2w   1   
        19   3   .   .   .   .   .   2.68   1.78   3.58   parsed_2l2w   1   
        20   2   .   .   .   .   .   4.59   1.44   6.50   parsed_2l2w   1   
        20   3   .   .   .   .   .   4.59   1.44   6.50   parsed_2l2w   1   
        21   2   .   .   .   .   .   4.21   1.99   6.43   parsed_2l2w   1   
        21   3   .   .   .   .   .   4.21   1.99   6.43   parsed_2l2w   1   
        22   2   .   .   .   .   .   3.77   1.99   5.55   parsed_2l2w   1   
        22   3   .   .   .   .   .   3.77   1.99   5.55   parsed_2l2w   1   
        23   2   .   .   .   .   .   3.24   1.41   5.07   parsed_2l2w   1   
        23   3   .   .   .   .   .   3.24   1.41   5.07   parsed_2l2w   1   
        24   2   .   .   .   .   .   2.52   1.56   3.48   parsed_2l2w   1   
        24   3   .   .   .   .   .   2.52   1.56   3.48   parsed_2l2w   1   
        25   2   .   .   .   .   .   3.56   1.98   5.14   parsed_2l2w   1   
        25   3   .   .   .   .   .   3.56   1.98   5.14   parsed_2l2w   1   
        26   2   .   .   .   .   .   3.53   1.97   5.09   parsed_2l2w   1   
        26   3   .   .   .   .   .   3.53   1.97   5.09   parsed_2l2w   1   
        26   4   .   .   .   .   .   3.53   1.97   5.09   parsed_2l2w   1   
        27   2   .   .   .   .   .   3.72   1.99   5.45   parsed_2l2w   1   
        27   3   .   .   .   .   .   3.72   1.99   5.45   parsed_2l2w   1   
        28   2   .   .   .   .   .   3.77   1.99   5.55   parsed_2l2w   1   
        28   3   .   .   .   .   .   3.77   1.99   5.55   parsed_2l2w   1   
        28   4   .   .   .   .   .   3.77   1.99   5.55   parsed_2l2w   1   
        29   2   .   .   .   .   .   2.19   1.59   2.79   parsed_2l2w   1   
        29   3   .   .   .   .   .   2.19   1.59   2.79   parsed_2l2w   1   
        30   2   .   .   .   .   .   3.32   1.40   5.24   parsed_2l2w   1   
        30   3   .   .   .   .   .   3.32   1.40   5.24   parsed_2l2w   1   
        30   4   .   .   .   .   .   3.32   1.40   5.24   parsed_2l2w   1   
        31   2   .   .   .   .   .   2.33   1.24   3.42   parsed_2l2w   1   
        31   3   .   .   .   .   .   2.33   1.24   3.42   parsed_2l2w   1   
        32   2   .   .   .   .   .   5.53   0.18   6.50   parsed_2l2w   1   
        32   3   .   .   .   .   .   5.53   0.18   6.50   parsed_2l2w   1   
        33   2   .   .   .   .   .   4.17   1.99   6.35   parsed_2l2w   1   
        33   3   .   .   .   .   .   4.17   1.99   6.35   parsed_2l2w   1   
        34   2   .   .   .   .   .   3.74   1.64   5.84   parsed_2l2w   1   
        34   3   .   .   .   .   .   3.74   1.64   5.84   parsed_2l2w   1   
        35   2   .   .   .   .   .   3.48   1.97   4.99   parsed_2l2w   1   
        35   3   .   .   .   .   .   3.48   1.97   4.99   parsed_2l2w   1   
        36   2   .   .   .   .   .   3.49   1.97   5.01   parsed_2l2w   1   
        36   3   .   .   .   .   .   3.49   1.97   5.01   parsed_2l2w   1   
        37   2   .   .   .   .   .   3.52   1.97   5.07   parsed_2l2w   1   
        37   3   .   .   .   .   .   3.52   1.97   5.07   parsed_2l2w   1   
        38   2   .   .   .   .   .   3.84   1.26   6.42   parsed_2l2w   1   
        38   3   .   .   .   .   .   3.84   1.26   6.42   parsed_2l2w   1   
        38   4   .   .   .   .   .   3.84   1.26   6.42   parsed_2l2w   1   
        38   5   .   .   .   .   .   3.84   1.26   6.42   parsed_2l2w   1   
    stop_


    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

        1   "# Ambiguous NOEs"    1   1   1   16   parsed_2l2w   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, June 6, 2024 10:38:13 PM GMT (wattos1)