NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype item_count
36243 1n8m 5676 cing recoord 2-parsed STAR distance NOE ambi 37


data_1n8m_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1n8m 
    _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_1n8m   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1n8m 
    _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   1n8m   "Master copy"    parsed_1n8m   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1n8m 
    _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   1n8m.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1n8m   1   
        1   1n8m.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               642   parsed_1n8m   1   
        1   1n8m.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi                37   parsed_1n8m   1   
        1   1n8m.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1n8m   1   
        1   1n8m.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple               0   parsed_1n8m   1   
        1   1n8m.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1n8m   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1n8m 
    _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_1n8m   1   
         1   2    .   3   .    parsed_1n8m   1   
         1   3    .    .   .    parsed_1n8m   1   
         2   1   2    .   OR   parsed_1n8m   1   
         2   2    .   3   .    parsed_1n8m   1   
         2   3    .    .   .    parsed_1n8m   1   
         3   1   2    .   OR   parsed_1n8m   1   
         3   2    .   3   .    parsed_1n8m   1   
         3   3    .    .   .    parsed_1n8m   1   
         4   1   2    .   OR   parsed_1n8m   1   
         4   2    .   3   .    parsed_1n8m   1   
         4   3    .    .   .    parsed_1n8m   1   
         5   1   2    .   OR   parsed_1n8m   1   
         5   2    .   3   .    parsed_1n8m   1   
         5   3    .    .   .    parsed_1n8m   1   
         6   1   2    .   OR   parsed_1n8m   1   
         6   2    .   3   .    parsed_1n8m   1   
         6   3    .    .   .    parsed_1n8m   1   
         7   1   2    .   OR   parsed_1n8m   1   
         7   2    .   3   .    parsed_1n8m   1   
         7   3    .   4   .    parsed_1n8m   1   
         7   4    .    .   .    parsed_1n8m   1   
         8   1   2    .   OR   parsed_1n8m   1   
         8   2    .   3   .    parsed_1n8m   1   
         8   3    .    .   .    parsed_1n8m   1   
         9   1   2    .   OR   parsed_1n8m   1   
         9   2    .   3   .    parsed_1n8m   1   
         9   3    .    .   .    parsed_1n8m   1   
        10   1   2    .   OR   parsed_1n8m   1   
        10   2    .   3   .    parsed_1n8m   1   
        10   3    .    .   .    parsed_1n8m   1   
        11   1   2    .   OR   parsed_1n8m   1   
        11   2    .   3   .    parsed_1n8m   1   
        11   3    .   4   .    parsed_1n8m   1   
        11   4    .   5   .    parsed_1n8m   1   
        11   5    .   6   .    parsed_1n8m   1   
        11   6    .    .   .    parsed_1n8m   1   
        12   1   2    .   OR   parsed_1n8m   1   
        12   2    .   3   .    parsed_1n8m   1   
        12   3    .    .   .    parsed_1n8m   1   
        13   1   2    .   OR   parsed_1n8m   1   
        13   2    .   3   .    parsed_1n8m   1   
        13   3    .    .   .    parsed_1n8m   1   
        14   1   2    .   OR   parsed_1n8m   1   
        14   2    .   3   .    parsed_1n8m   1   
        14   3    .    .   .    parsed_1n8m   1   
        15   1   2    .   OR   parsed_1n8m   1   
        15   2    .   3   .    parsed_1n8m   1   
        15   3    .    .   .    parsed_1n8m   1   
        16   1   2    .   OR   parsed_1n8m   1   
        16   2    .   3   .    parsed_1n8m   1   
        16   3    .    .   .    parsed_1n8m   1   
        17   1   2    .   OR   parsed_1n8m   1   
        17   2    .   3   .    parsed_1n8m   1   
        17   3    .    .   .    parsed_1n8m   1   
        18   1   2    .   OR   parsed_1n8m   1   
        18   2    .   3   .    parsed_1n8m   1   
        18   3    .    .   .    parsed_1n8m   1   
        19   1   2    .   OR   parsed_1n8m   1   
        19   2    .   3   .    parsed_1n8m   1   
        19   3    .    .   .    parsed_1n8m   1   
        20   1   2    .   OR   parsed_1n8m   1   
        20   2    .   3   .    parsed_1n8m   1   
        20   3    .    .   .    parsed_1n8m   1   
        21   1   2    .   OR   parsed_1n8m   1   
        21   2    .   3   .    parsed_1n8m   1   
        21   3    .    .   .    parsed_1n8m   1   
        22   1   2    .   OR   parsed_1n8m   1   
        22   2    .   3   .    parsed_1n8m   1   
        22   3    .    .   .    parsed_1n8m   1   
        23   1   2    .   OR   parsed_1n8m   1   
        23   2    .   3   .    parsed_1n8m   1   
        23   3    .    .   .    parsed_1n8m   1   
        24   1   2    .   OR   parsed_1n8m   1   
        24   2    .   3   .    parsed_1n8m   1   
        24   3    .    .   .    parsed_1n8m   1   
        25   1   2    .   OR   parsed_1n8m   1   
        25   2    .   3   .    parsed_1n8m   1   
        25   3    .    .   .    parsed_1n8m   1   
        26   1   2    .   OR   parsed_1n8m   1   
        26   2    .   3   .    parsed_1n8m   1   
        26   3    .    .   .    parsed_1n8m   1   
        27   1   2    .   OR   parsed_1n8m   1   
        27   2    .   3   .    parsed_1n8m   1   
        27   3    .    .   .    parsed_1n8m   1   
        28   1   2    .   OR   parsed_1n8m   1   
        28   2    .   3   .    parsed_1n8m   1   
        28   3    .   4   .    parsed_1n8m   1   
        28   4    .    .   .    parsed_1n8m   1   
        29   1   2    .   OR   parsed_1n8m   1   
        29   2    .   3   .    parsed_1n8m   1   
        29   3    .    .   .    parsed_1n8m   1   
        30   1   2    .   OR   parsed_1n8m   1   
        30   2    .   3   .    parsed_1n8m   1   
        30   3    .    .   .    parsed_1n8m   1   
        31   1   2    .   OR   parsed_1n8m   1   
        31   2    .   3   .    parsed_1n8m   1   
        31   3    .    .   .    parsed_1n8m   1   
        32   1   2    .   OR   parsed_1n8m   1   
        32   2    .   3   .    parsed_1n8m   1   
        32   3    .    .   .    parsed_1n8m   1   
        33   1   2    .   OR   parsed_1n8m   1   
        33   2    .   3   .    parsed_1n8m   1   
        33   3    .    .   .    parsed_1n8m   1   
        34   1   2    .   OR   parsed_1n8m   1   
        34   2    .   3   .    parsed_1n8m   1   
        34   3    .    .   .    parsed_1n8m   1   
        35   1   2    .   OR   parsed_1n8m   1   
        35   2    .   3   .    parsed_1n8m   1   
        35   3    .    .   .    parsed_1n8m   1   
        36   1   2    .   OR   parsed_1n8m   1   
        36   2    .   3   .    parsed_1n8m   1   
        36   3    .    .   .    parsed_1n8m   1   
        37   1   2    .   OR   parsed_1n8m   1   
        37   2    .   3   .    parsed_1n8m   1   
        37   3    .    .   .    parsed_1n8m   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   .   .   .   .   .   .   .   .   "    "    19   .   HA     parsed_1n8m   1   
         1   2   2   .   .   .   .   .   .   .   .   "    "    19   .   HD1    parsed_1n8m   1   
         1   3   1   .   .   .   .   .   .   .   .   "    "    36   .   HA1    parsed_1n8m   1   
         1   3   2   .   .   .   .   .   .   .   .   "    "    35   .   HB1    parsed_1n8m   1   
         2   2   1   .   .   .   .   .   .   .   .   "    "    16   .   HA     parsed_1n8m   1   
         2   2   2   .   .   .   .   .   .   .   .   "    "    19   .   HD2    parsed_1n8m   1   
         2   3   1   .   .   .   .   .   .   .   .   "    "    16   .   HA     parsed_1n8m   1   
         2   3   2   .   .   .   .   .   .   .   .   "    "    16   .   HB2    parsed_1n8m   1   
         3   2   1   .   .   .   .   .   .   .   .   "    "    30   .   HD1    parsed_1n8m   1   
         3   2   2   .   .   .   .   .   .   .   .   "    "    30   .   HA     parsed_1n8m   1   
         3   3   1   .   .   .   .   .   .   .   .   "    "    10   .   HB1    parsed_1n8m   1   
         3   3   2   .   .   .   .   .   .   .   .   "    "     8   .   HA2    parsed_1n8m   1   
         4   2   1   .   .   .   .   .   .   .   .   "    "    23   .   HG2    parsed_1n8m   1   
         4   2   2   .   .   .   .   .   .   .   .   "    "    22   .   HA     parsed_1n8m   1   
         4   3   1   .   .   .   .   .   .   .   .   "    "    17   .   HB2    parsed_1n8m   1   
         4   3   2   .   .   .   .   .   .   .   .   "    "    22   .   HA     parsed_1n8m   1   
         5   2   1   .   .   .   .   .   .   .   .   "    "    33   .   HB1    parsed_1n8m   1   
         5   2   2   .   .   .   .   .   .   .   .   "    "    25   .   HA     parsed_1n8m   1   
         5   3   1   .   .   .   .   .   .   .   .   "    "    26   .   HB2    parsed_1n8m   1   
         5   3   2   .   .   .   .   .   .   .   .   "    "    25   .   HA     parsed_1n8m   1   
         6   2   1   .   .   .   .   .   .   .   .   "    "    25   .   HB%    parsed_1n8m   1   
         6   2   2   .   .   .   .   .   .   .   .   "    "    24   .   HA     parsed_1n8m   1   
         6   3   1   .   .   .   .   .   .   .   .   "    "    18   .   HG2    parsed_1n8m   1   
         6   3   2   .   .   .   .   .   .   .   .   "    "    15   .   HA     parsed_1n8m   1   
         7   2   1   .   .   .   .   .   .   .   .   "    "    23   .   HG2    parsed_1n8m   1   
         7   2   2   .   .   .   .   .   .   .   .   "    "    23   .   HB1    parsed_1n8m   1   
         7   3   1   .   .   .   .   .   .   .   .   "    "    17   .   HB2    parsed_1n8m   1   
         7   3   2   .   .   .   .   .   .   .   .   "    "    23   .   HB2    parsed_1n8m   1   
         7   4   1   .   .   .   .   .   .   .   .   "    "    17   .   HB2    parsed_1n8m   1   
         7   4   2   .   .   .   .   .   .   .   .   "    "    17   .   HG2    parsed_1n8m   1   
         8   2   1   .   .   .   .   .   .   .   .   "    "    33   .   HB1    parsed_1n8m   1   
         8   2   2   .   .   .   .   .   .   .   .   "    "    35   .   HE%    parsed_1n8m   1   
         8   3   1   .   .   .   .   .   .   .   .   "    "    26   .   HB2    parsed_1n8m   1   
         8   3   2   .   .   .   .   .   .   .   .   "    "    35   .   HE%    parsed_1n8m   1   
         9   2   1   .   .   .   .   .   .   .   .   "    "    10   .   HB1    parsed_1n8m   1   
         9   2   2   .   .   .   .   .   .   .   .   "    "    13   .   HD%    parsed_1n8m   1   
         9   3   1   .   .   .   .   .   .   .   .   "    "    23   .   HG2    parsed_1n8m   1   
         9   3   2   .   .   .   .   .   .   .   .   "    "    13   .   HD%    parsed_1n8m   1   
        10   2   1   .   .   .   .   .   .   .   .   "    "    19   .   HD2    parsed_1n8m   1   
        10   2   2   .   .   .   .   .   .   .   .   "    "    20   .   HG2%   parsed_1n8m   1   
        10   3   1   .   .   .   .   .   .   .   .   "    "    16   .   HB2    parsed_1n8m   1   
        10   3   2   .   .   .   .   .   .   .   .   "    "    20   .   HG2%   parsed_1n8m   1   
        11   2   1   .   .   .   .   .   .   .   .   "    "    18   .   HE2    parsed_1n8m   1   
        11   2   2   .   .   .   .   .   .   .   .   "    "    19   .   HG2    parsed_1n8m   1   
        11   3   1   .   .   .   .   .   .   .   .   "    "    18   .   HE1    parsed_1n8m   1   
        11   3   2   .   .   .   .   .   .   .   .   "    "    19   .   HG2    parsed_1n8m   1   
        11   4   1   .   .   .   .   .   .   .   .   "    "    18   .   HE2    parsed_1n8m   1   
        11   4   2   .   .   .   .   .   .   .   .   "    "    19   .   HG1    parsed_1n8m   1   
        11   5   1   .   .   .   .   .   .   .   .   "    "    18   .   HE1    parsed_1n8m   1   
        11   5   2   .   .   .   .   .   .   .   .   "    "    19   .   HG1    parsed_1n8m   1   
        11   6   1   .   .   .   .   .   .   .   .   "    "    26   .   HE1    parsed_1n8m   1   
        11   6   2   .   .   .   .   .   .   .   .   "    "    28   .   HB     parsed_1n8m   1   
        12   2   1   .   .   .   .   .   .   .   .   "    "    15   .   HA     parsed_1n8m   1   
        12   2   2   .   .   .   .   .   .   .   .   "    "    19   .   HG2    parsed_1n8m   1   
        12   3   1   .   .   .   .   .   .   .   .   "    "    24   .   HA     parsed_1n8m   1   
        12   3   2   .   .   .   .   .   .   .   .   "    "    23   .   HG2    parsed_1n8m   1   
        13   2   1   .   .   .   .   .   .   .   .   "    "     5   .   HN     parsed_1n8m   1   
        13   2   2   .   .   .   .   .   .   .   .   "    "     4   .   HN     parsed_1n8m   1   
        13   3   1   .   .   .   .   .   .   .   .   "    "     3   .   HN     parsed_1n8m   1   
        13   3   2   .   .   .   .   .   .   .   .   "    "     4   .   HN     parsed_1n8m   1   
        14   2   1   .   .   .   .   .   .   .   .   "    "    24   .   HN     parsed_1n8m   1   
        14   2   2   .   .   .   .   .   .   .   .   "    "    22   .   HN     parsed_1n8m   1   
        14   3   1   .   .   .   .   .   .   .   .   "    "    24   .   HN     parsed_1n8m   1   
        14   3   2   .   .   .   .   .   .   .   .   "    "    35   .   HN     parsed_1n8m   1   
        15   2   1   .   .   .   .   .   .   .   .   "    "    14   .   HN     parsed_1n8m   1   
        15   2   2   .   .   .   .   .   .   .   .   "    "    13   .   HD%    parsed_1n8m   1   
        15   3   1   .   .   .   .   .   .   .   .   "    "    14   .   HN     parsed_1n8m   1   
        15   3   2   .   .   .   .   .   .   .   .   "    "    14   .   HE     parsed_1n8m   1   
        16   2   1   .   .   .   .   .   .   .   .   "    "    38   .   HB1    parsed_1n8m   1   
        16   2   2   .   .   .   .   .   .   .   .   "    "    38   .   HN     parsed_1n8m   1   
        16   3   1   .   .   .   .   .   .   .   .   "    "     9   .   HB2    parsed_1n8m   1   
        16   3   2   .   .   .   .   .   .   .   .   "    "    27   .   HN     parsed_1n8m   1   
        17   2   1   .   .   .   .   .   .   .   .   "    "    15   .   HD2    parsed_1n8m   1   
        17   2   2   .   .   .   .   .   .   .   .   "    "    16   .   HN     parsed_1n8m   1   
        17   3   1   .   .   .   .   .   .   .   .   "    "    17   .   HA     parsed_1n8m   1   
        17   3   2   .   .   .   .   .   .   .   .   "    "    20   .   HN     parsed_1n8m   1   
        18   2   1   .   .   .   .   .   .   .   .   "    "    20   .   HB     parsed_1n8m   1   
        18   2   2   .   .   .   .   .   .   .   .   "    "    21   .   HN     parsed_1n8m   1   
        18   3   1   .   .   .   .   .   .   .   .   "    "    20   .   HB     parsed_1n8m   1   
        18   3   2   .   .   .   .   .   .   .   .   "    "    22   .   HN     parsed_1n8m   1   
        19   2   1   .   .   .   .   .   .   .   .   "    "    16   .   HA     parsed_1n8m   1   
        19   2   2   .   .   .   .   .   .   .   .   "    "    16   .   HN     parsed_1n8m   1   
        19   3   1   .   .   .   .   .   .   .   .   "    "    16   .   HA     parsed_1n8m   1   
        19   3   2   .   .   .   .   .   .   .   .   "    "    20   .   HN     parsed_1n8m   1   
        20   2   1   .   .   .   .   .   .   .   .   "    "    17   .   HA     parsed_1n8m   1   
        20   2   2   .   .   .   .   .   .   .   .   "    "    21   .   HN     parsed_1n8m   1   
        20   3   1   .   .   .   .   .   .   .   .   "    "    17   .   HA     parsed_1n8m   1   
        20   3   2   .   .   .   .   .   .   .   .   "    "    22   .   HN     parsed_1n8m   1   
        21   2   1   .   .   .   .   .   .   .   .   "    "    33   .   HG2    parsed_1n8m   1   
        21   2   2   .   .   .   .   .   .   .   .   "    "    34   .   HN     parsed_1n8m   1   
        21   3   1   .   .   .   .   .   .   .   .   "    "     1   .   HD1%   parsed_1n8m   1   
        21   3   2   .   .   .   .   .   .   .   .   "    "    34   .   HN     parsed_1n8m   1   
        22   2   1   .   .   .   .   .   .   .   .   "    "    33   .   HB1    parsed_1n8m   1   
        22   2   2   .   .   .   .   .   .   .   .   "    "    26   .   HN     parsed_1n8m   1   
        22   3   1   .   .   .   .   .   .   .   .   "    "    26   .   HB2    parsed_1n8m   1   
        22   3   2   .   .   .   .   .   .   .   .   "    "    26   .   HN     parsed_1n8m   1   
        23   2   1   .   .   .   .   .   .   .   .   "    "    24   .   HA     parsed_1n8m   1   
        23   2   2   .   .   .   .   .   .   .   .   "    "    13   .   HD%    parsed_1n8m   1   
        23   3   1   .   .   .   .   .   .   .   .   "    "    15   .   HA     parsed_1n8m   1   
        23   3   2   .   .   .   .   .   .   .   .   "    "    14   .   HE     parsed_1n8m   1   
        24   2   1   .   .   .   .   .   .   .   .   "    "    24   .   HN     parsed_1n8m   1   
        24   2   2   .   .   .   .   .   .   .   .   "    "    23   .   HD1    parsed_1n8m   1   
        24   3   1   .   .   .   .   .   .   .   .   "    "    24   .   HN     parsed_1n8m   1   
        24   3   2   .   .   .   .   .   .   .   .   "    "    22   .   HB1    parsed_1n8m   1   
        25   2   1   .   .   .   .   .   .   .   .   "    "    13   .   HD%    parsed_1n8m   1   
        25   2   2   .   .   .   .   .   .   .   .   "    "    13   .   HB1    parsed_1n8m   1   
        25   3   1   .   .   .   .   .   .   .   .   "    "    14   .   HE     parsed_1n8m   1   
        25   3   2   .   .   .   .   .   .   .   .   "    "    14   .   HD1    parsed_1n8m   1   
        26   2   1   .   .   .   .   .   .   .   .   "    "    13   .   HD%    parsed_1n8m   1   
        26   2   2   .   .   .   .   .   .   .   .   "    "    13   .   HB2    parsed_1n8m   1   
        26   3   1   .   .   .   .   .   .   .   .   "    "    13   .   HD%    parsed_1n8m   1   
        26   3   2   .   .   .   .   .   .   .   .   "    "    10   .   HA     parsed_1n8m   1   
        27   2   1   .   .   .   .   .   .   .   .   "    "    17   .   HN     parsed_1n8m   1   
        27   2   2   .   .   .   .   .   .   .   .   "    "    17   .   HG2    parsed_1n8m   1   
        27   3   1   .   .   .   .   .   .   .   .   "    "    17   .   HN     parsed_1n8m   1   
        27   3   2   .   .   .   .   .   .   .   .   "    "    18   .   HB1    parsed_1n8m   1   
        28   2   1   .   .   .   .   .   .   .   .   "    "    20   .   HN     parsed_1n8m   1   
        28   2   2   .   .   .   .   .   .   .   .   "    "    19   .   HG2    parsed_1n8m   1   
        28   3   1   .   .   .   .   .   .   .   .   "    "    16   .   HN     parsed_1n8m   1   
        28   3   2   .   .   .   .   .   .   .   .   "    "    19   .   HG2    parsed_1n8m   1   
        28   4   1   .   .   .   .   .   .   .   .   "    "    20   .   HN     parsed_1n8m   1   
        28   4   2   .   .   .   .   .   .   .   .   "    "    19   .   HG1    parsed_1n8m   1   
        29   2   1   .   .   .   .   .   .   .   .   "    "    21   .   HN     parsed_1n8m   1   
        29   2   2   .   .   .   .   .   .   .   .   "    "    20   .   HG2%   parsed_1n8m   1   
        29   3   1   .   .   .   .   .   .   .   .   "    "    22   .   HN     parsed_1n8m   1   
        29   3   2   .   .   .   .   .   .   .   .   "    "    20   .   HG2%   parsed_1n8m   1   
        30   2   1   .   .   .   .   .   .   .   .   "    "    18   .   HN     parsed_1n8m   1   
        30   2   2   .   .   .   .   .   .   .   .   "    "    18   .   HG1    parsed_1n8m   1   
        30   3   1   .   .   .   .   .   .   .   .   "    "    26   .   HN     parsed_1n8m   1   
        30   3   2   .   .   .   .   .   .   .   .   "    "    33   .   HD2    parsed_1n8m   1   
        31   2   1   .   .   .   .   .   .   .   .   "    "    22   .   HN     parsed_1n8m   1   
        31   2   2   .   .   .   .   .   .   .   .   "    "    17   .   HG2    parsed_1n8m   1   
        31   3   1   .   .   .   .   .   .   .   .   "    "    21   .   HN     parsed_1n8m   1   
        31   3   2   .   .   .   .   .   .   .   .   "    "    17   .   HG2    parsed_1n8m   1   
        32   2   1   .   .   .   .   .   .   .   .   "    "    17   .   HG2    parsed_1n8m   1   
        32   2   2   .   .   .   .   .   .   .   .   "    "    23   .   HD2    parsed_1n8m   1   
        32   3   1   .   .   .   .   .   .   .   .   "    "    23   .   HB2    parsed_1n8m   1   
        32   3   2   .   .   .   .   .   .   .   .   "    "    23   .   HD2    parsed_1n8m   1   
        33   2   1   .   .   .   .   .   .   .   .   "    "    23   .   HB1    parsed_1n8m   1   
        33   2   2   .   .   .   .   .   .   .   .   "    "    23   .   HG2    parsed_1n8m   1   
        33   3   1   .   .   .   .   .   .   .   .   "    "    23   .   HB2    parsed_1n8m   1   
        33   3   2   .   .   .   .   .   .   .   .   "    "    17   .   HB2    parsed_1n8m   1   
        34   2   1   .   .   .   .   .   .   .   .   "    "    21   .   HA1    parsed_1n8m   1   
        34   2   2   .   .   .   .   .   .   .   .   "    "    22   .   HN     parsed_1n8m   1   
        34   3   1   .   .   .   .   .   .   .   .   "    "    21   .   HA1    parsed_1n8m   1   
        34   3   2   .   .   .   .   .   .   .   .   "    "    21   .   HN     parsed_1n8m   1   
        35   2   1   .   .   .   .   .   .   .   .   "    "    18   .   HB2    parsed_1n8m   1   
        35   2   2   .   .   .   .   .   .   .   .   "    "    18   .   HN     parsed_1n8m   1   
        35   3   1   .   .   .   .   .   .   .   .   "    "    26   .   HB1    parsed_1n8m   1   
        35   3   2   .   .   .   .   .   .   .   .   "    "    26   .   HN     parsed_1n8m   1   
        36   2   1   .   .   .   .   .   .   .   .   "    "    18   .   HN     parsed_1n8m   1   
        36   2   2   .   .   .   .   .   .   .   .   "    "    19   .   HG2    parsed_1n8m   1   
        36   3   1   .   .   .   .   .   .   .   .   "    "    18   .   HN     parsed_1n8m   1   
        36   3   2   .   .   .   .   .   .   .   .   "    "    17   .   HB2    parsed_1n8m   1   
        37   2   1   .   .   .   .   .   .   .   .   "    "    18   .   HN     parsed_1n8m   1   
        37   2   2   .   .   .   .   .   .   .   .   "    "    16   .   HN     parsed_1n8m   1   
        37   3   1   .   .   .   .   .   .   .   .   "    "    18   .   HN     parsed_1n8m   1   
        37   3   2   .   .   .   .   .   .   .   .   "    "    20   .   HN     parsed_1n8m   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   .   .   .   .   .   4.400   2.000   6.000   parsed_1n8m   1   
         1   3   .   .   .   .   .   4.400   2.000   6.000   parsed_1n8m   1   
         2   2   .   .   .   .   .   3.200   1.900   4.500   parsed_1n8m   1   
         2   3   .   .   .   .   .   3.200   1.900   4.500   parsed_1n8m   1   
         3   2   .   .   .   .   .   3.600   2.000   5.200   parsed_1n8m   1   
         3   3   .   .   .   .   .   3.600   2.000   5.200   parsed_1n8m   1   
         4   2   .   .   .   .   .   3.300   2.000   4.600   parsed_1n8m   1   
         4   3   .   .   .   .   .   3.300   2.000   4.600   parsed_1n8m   1   
         5   2   .   .   .   .   .   3.000   0.000   6.000   parsed_1n8m   1   
         5   3   .   .   .   .   .   3.000   0.000   6.000   parsed_1n8m   1   
         6   2   .   .   .   .   .   3.200   1.900   4.500   parsed_1n8m   1   
         6   3   .   .   .   .   .   3.200   1.900   4.500   parsed_1n8m   1   
         7   2   .   .   .   .   .   1.900   1.500   2.300   parsed_1n8m   1   
         7   3   .   .   .   .   .   1.900   1.500   2.300   parsed_1n8m   1   
         7   4   .   .   .   .   .   1.900   1.500   2.300   parsed_1n8m   1   
         8   2   .   .   .   .   .   2.600   1.700   3.500   parsed_1n8m   1   
         8   3   .   .   .   .   .   2.600   1.700   3.500   parsed_1n8m   1   
         9   2   .   .   .   .   .   2.700   1.800   3.600   parsed_1n8m   1   
         9   3   .   .   .   .   .   2.700   1.800   3.600   parsed_1n8m   1   
        10   2   .   .   .   .   .   3.500   1.900   5.100   parsed_1n8m   1   
        10   3   .   .   .   .   .   3.500   1.900   5.100   parsed_1n8m   1   
        11   2   .   .   .   .   .   2.600   0.000   6.000   parsed_1n8m   1   
        11   3   .   .   .   .   .   2.600   0.000   6.000   parsed_1n8m   1   
        11   4   .   .   .   .   .   2.600   0.000   6.000   parsed_1n8m   1   
        11   5   .   .   .   .   .   2.600   0.000   6.000   parsed_1n8m   1   
        11   6   .   .   .   .   .   2.600   0.000   6.000   parsed_1n8m   1   
        12   2   .   .   .   .   .   2.600   1.700   3.500   parsed_1n8m   1   
        12   3   .   .   .   .   .   2.600   1.700   3.500   parsed_1n8m   1   
        13   2   .   .   .   .   .   3.200   1.900   4.500   parsed_1n8m   1   
        13   3   .   .   .   .   .   3.200   1.900   4.500   parsed_1n8m   1   
        14   2   .   .   .   .   .   4.600   1.900   6.000   parsed_1n8m   1   
        14   3   .   .   .   .   .   4.600   1.900   6.000   parsed_1n8m   1   
        15   2   .   .   .   .   .   3.300   2.000   4.600   parsed_1n8m   1   
        15   3   .   .   .   .   .   3.300   2.000   4.600   parsed_1n8m   1   
        16   2   .   .   .   .   .   2.700   1.800   3.600   parsed_1n8m   1   
        16   3   .   .   .   .   .   2.700   1.800   3.600   parsed_1n8m   1   
        17   2   .   .   .   .   .   3.100   1.900   4.300   parsed_1n8m   1   
        17   3   .   .   .   .   .   3.100   1.900   4.300   parsed_1n8m   1   
        18   2   .   .   .   .   .   2.700   1.800   3.600   parsed_1n8m   1   
        18   3   .   .   .   .   .   2.700   1.800   3.600   parsed_1n8m   1   
        19   2   .   .   .   .   .   2.600   1.800   3.400   parsed_1n8m   1   
        19   3   .   .   .   .   .   2.600   1.800   3.400   parsed_1n8m   1   
        20   2   .   .   .   .   .   2.200   1.600   2.800   parsed_1n8m   1   
        20   3   .   .   .   .   .   2.200   1.600   2.800   parsed_1n8m   1   
        21   2   .   .   .   .   .   3.600   2.000   5.200   parsed_1n8m   1   
        21   3   .   .   .   .   .   3.600   2.000   5.200   parsed_1n8m   1   
        22   2   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        22   3   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        23   2   .   .   .   .   .   3.500   1.900   5.100   parsed_1n8m   1   
        23   3   .   .   .   .   .   3.500   1.900   5.100   parsed_1n8m   1   
        24   2   .   .   .   .   .   2.800   1.800   3.800   parsed_1n8m   1   
        24   3   .   .   .   .   .   2.800   1.800   3.800   parsed_1n8m   1   
        25   2   .   .   .   .   .   2.500   1.700   3.300   parsed_1n8m   1   
        25   3   .   .   .   .   .   2.500   1.700   3.300   parsed_1n8m   1   
        26   2   .   .   .   .   .   2.400   1.700   3.100   parsed_1n8m   1   
        26   3   .   .   .   .   .   2.400   1.700   3.100   parsed_1n8m   1   
        27   2   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        27   3   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        28   2   .   .   .   .   .   3.300   1.900   4.700   parsed_1n8m   1   
        28   3   .   .   .   .   .   3.300   1.900   4.700   parsed_1n8m   1   
        28   4   .   .   .   .   .   3.300   1.900   4.700   parsed_1n8m   1   
        29   2   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        29   3   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        30   2   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        30   3   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        31   2   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        31   3   .   .   .   .   .   3.000   1.900   4.100   parsed_1n8m   1   
        32   2   .   .   .   .   .   2.300   1.600   3.000   parsed_1n8m   1   
        32   3   .   .   .   .   .   2.300   1.600   3.000   parsed_1n8m   1   
        33   2   .   .   .   .   .   1.700   1.300   2.200   parsed_1n8m   1   
        33   3   .   .   .   .   .   1.700   1.300   2.200   parsed_1n8m   1   
        34   2   .   .   .   .   .   2.400   1.700   3.100   parsed_1n8m   1   
        34   3   .   .   .   .   .   2.400   1.700   3.100   parsed_1n8m   1   
        35   2   .   .   .   .   .   2.700   1.800   3.600   parsed_1n8m   1   
        35   3   .   .   .   .   .   2.700   1.800   3.600   parsed_1n8m   1   
        36   2   .   .   .   .   .   3.100   1.900   4.300   parsed_1n8m   1   
        36   3   .   .   .   .   .   3.100   1.900   4.300   parsed_1n8m   1   
        37   2   .   .   .   .   .   2.900   1.900   3.900   parsed_1n8m   1   
        37   3   .   .   .   .   .   2.900   1.900   3.900   parsed_1n8m   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   
;
Ambiguous distance constraints : 37
1
;
       2   1     3   4   parsed_1n8m   1   
         2     2    11   1    11   4   parsed_1n8m   1   
         3     3    19   1    19   4   parsed_1n8m   1   
         4     4    27   1    27   4   parsed_1n8m   1   
         5     5    35   1    35   4   parsed_1n8m   1   
         6     6    43   1    43   4   parsed_1n8m   1   
         7     7    51   1    51   4   parsed_1n8m   1   
         8     8    62   1    62   4   parsed_1n8m   1   
         9     9    70   1    70   4   parsed_1n8m   1   
        10    10    78   1    78   5   parsed_1n8m   1   
        11    11    86   1    86   5   parsed_1n8m   1   
        12    12   103   1   103   5   parsed_1n8m   1   
        13    13   111   1   111   5   parsed_1n8m   1   
        14    14   119   1   119   5   parsed_1n8m   1   
        15    15   127   1   127   5   parsed_1n8m   1   
        16    16   135   1   135   5   parsed_1n8m   1   
        17    17   143   1   143   5   parsed_1n8m   1   
        18    18   151   1   151   5   parsed_1n8m   1   
        19    19   159   1   159   5   parsed_1n8m   1   
        20    20   167   1   167   5   parsed_1n8m   1   
        21    21   175   1   175   5   parsed_1n8m   1   
        22    22   183   1   183   5   parsed_1n8m   1   
        23    23   191   1   191   5   parsed_1n8m   1   
        24    24   199   1   199   5   parsed_1n8m   1   
        25    25   207   1   207   5   parsed_1n8m   1   
        26    26   215   1   215   5   parsed_1n8m   1   
        27    27   223   1   223   5   parsed_1n8m   1   
        28    28   231   1   231   5   parsed_1n8m   1   
        29    29   242   1   242   5   parsed_1n8m   1   
        30    30   250   1   250   5   parsed_1n8m   1   
        31    31   258   1   258   5   parsed_1n8m   1   
        32    32   266   1   266   5   parsed_1n8m   1   
        33    33   274   1   274   5   parsed_1n8m   1   
        34    34   282   1   282   5   parsed_1n8m   1   
        35    35   290   1   290   5   parsed_1n8m   1   
        36    36   298   1   298   5   parsed_1n8m   1   
        37    37   306   1   306   5   parsed_1n8m   1   
    stop_

save_





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