NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype item_count
37901 1qg1 cing 2-parsed STAR distance NOE ambi 67


data_1qg1_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1qg1 
    _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_1qg1   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1qg1 
    _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   1qg1   "Master copy"    parsed_1qg1   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1qg1 
    _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   1qg1.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
        1   1qg1.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
        1   1qg1.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple             1059   parsed_1qg1   1   
        1   1qg1.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
        1   1qg1.mr   .   .    XPLOR/CNS      5    distance                 "hydrogen bond"      simple               36   parsed_1qg1   1   
        1   1qg1.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
        1   1qg1.mr   .   .    XPLOR/CNS      7    distance                  NOE                 ambi                122   parsed_1qg1   1   
        1   1qg1.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
        1   1qg1.mr   .   .    XPLOR/CNS      9    distance                  NOE                 ambi                323   parsed_1qg1   1   
        1   1qg1.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
        1   1qg1.mr   .   .    XPLOR/CNS     11    distance                  NOE                 ambi                 67   parsed_1qg1   1   
        1   1qg1.mr   .   .    n/a           12    comment                  "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
        1   1qg1.mr   .   .    XPLOR/CNS     13    distance                  NOE                 ambi                  0   parsed_1qg1   1   
        1   1qg1.mr   .   .    n/a           14    comment                  "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
        1   1qg1.mr   .   .    XPLOR/CNS     15    distance                 "hydrogen bond"      simple                0   parsed_1qg1   1   
        1   1qg1.mr   .   .   "MR format"    16   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1qg1   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_11
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1qg1 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            11 
    _Distance_constraint_list.Details            "Generated by Wattos" 

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

         1   1   .   .   .   parsed_1qg1   1   
         2   1   .   .   .   parsed_1qg1   1   
         3   1   .   .   .   parsed_1qg1   1   
         4   1   .   .   .   parsed_1qg1   1   
         5   1   .   .   .   parsed_1qg1   1   
         6   1   .   .   .   parsed_1qg1   1   
         7   1   .   .   .   parsed_1qg1   1   
         8   1   .   .   .   parsed_1qg1   1   
         9   1   .   .   .   parsed_1qg1   1   
        10   1   .   .   .   parsed_1qg1   1   
        11   1   .   .   .   parsed_1qg1   1   
        12   1   .   .   .   parsed_1qg1   1   
        13   1   .   .   .   parsed_1qg1   1   
        14   1   .   .   .   parsed_1qg1   1   
        15   1   .   .   .   parsed_1qg1   1   
        16   1   .   .   .   parsed_1qg1   1   
        17   1   .   .   .   parsed_1qg1   1   
        18   1   .   .   .   parsed_1qg1   1   
        19   1   .   .   .   parsed_1qg1   1   
        20   1   .   .   .   parsed_1qg1   1   
        21   1   .   .   .   parsed_1qg1   1   
        22   1   .   .   .   parsed_1qg1   1   
        23   1   .   .   .   parsed_1qg1   1   
        24   1   .   .   .   parsed_1qg1   1   
        25   1   .   .   .   parsed_1qg1   1   
        26   1   .   .   .   parsed_1qg1   1   
        27   1   .   .   .   parsed_1qg1   1   
        28   1   .   .   .   parsed_1qg1   1   
        29   1   .   .   .   parsed_1qg1   1   
        30   1   .   .   .   parsed_1qg1   1   
        31   1   .   .   .   parsed_1qg1   1   
        32   1   .   .   .   parsed_1qg1   1   
        33   1   .   .   .   parsed_1qg1   1   
        34   1   .   .   .   parsed_1qg1   1   
        35   1   .   .   .   parsed_1qg1   1   
        36   1   .   .   .   parsed_1qg1   1   
        37   1   .   .   .   parsed_1qg1   1   
        38   1   .   .   .   parsed_1qg1   1   
        39   1   .   .   .   parsed_1qg1   1   
        40   1   .   .   .   parsed_1qg1   1   
        41   1   .   .   .   parsed_1qg1   1   
        42   1   .   .   .   parsed_1qg1   1   
        43   1   .   .   .   parsed_1qg1   1   
        44   1   .   .   .   parsed_1qg1   1   
        45   1   .   .   .   parsed_1qg1   1   
        46   1   .   .   .   parsed_1qg1   1   
        47   1   .   .   .   parsed_1qg1   1   
        48   1   .   .   .   parsed_1qg1   1   
        49   1   .   .   .   parsed_1qg1   1   
        50   1   .   .   .   parsed_1qg1   1   
        51   1   .   .   .   parsed_1qg1   1   
        52   1   .   .   .   parsed_1qg1   1   
        53   1   .   .   .   parsed_1qg1   1   
        54   1   .   .   .   parsed_1qg1   1   
        55   1   .   .   .   parsed_1qg1   1   
        56   1   .   .   .   parsed_1qg1   1   
        57   1   .   .   .   parsed_1qg1   1   
        58   1   .   .   .   parsed_1qg1   1   
        59   1   .   .   .   parsed_1qg1   1   
        60   1   .   .   .   parsed_1qg1   1   
        61   1   .   .   .   parsed_1qg1   1   
        62   1   .   .   .   parsed_1qg1   1   
        63   1   .   .   .   parsed_1qg1   1   
        64   1   .   .   .   parsed_1qg1   1   
        65   1   .   .   .   parsed_1qg1   1   
        66   1   .   .   .   parsed_1qg1   1   
        67   1   .   .   .   parsed_1qg1   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HA    parsed_1qg1   1   
         1   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         1   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
         2   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
         2   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         2   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
         3   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
         3   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
         3   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         3   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
         4   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HB#   parsed_1qg1   1   
         4   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         4   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
         5   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HB#   parsed_1qg1   1   
         5   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         5   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
         6   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HB    parsed_1qg1   1   
         6   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         6   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
         7   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
         7   1   1   .   .   .   .   .   .   .   .   1SHC    9   .   HB#   parsed_1qg1   1   
         7   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         7   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
         8   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
         8   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
         8   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         8   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
         9   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
         9   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
         9   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        10   1   1   .   .   .   .   .   .   .   .   1SHC    6   .   HG*   parsed_1qg1   1   
        10   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        10   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        11   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        11   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        11   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HA    parsed_1qg1   1   
        12   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        12   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        12   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HA    parsed_1qg1   1   
        13   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        13   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        13   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HA    parsed_1qg1   1   
        14   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        14   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        14   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HA    parsed_1qg1   1   
        15   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        15   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        15   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HA    parsed_1qg1   1   
        16   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        16   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        16   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HA    parsed_1qg1   1   
        17   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        17   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HA    parsed_1qg1   1   
        17   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HA    parsed_1qg1   1   
        18   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        18   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        18   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HA    parsed_1qg1   1   
        19   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        19   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        19   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HA    parsed_1qg1   1   
        19   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HA    parsed_1qg1   1   
        20   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HB#   parsed_1qg1   1   
        20   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HG    parsed_1qg1   1   
        20   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HA    parsed_1qg1   1   
        21   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        21   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        21   1   1   .   .   .   .   .   .   .   .   1SHC    9   .   HB#   parsed_1qg1   1   
        21   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HA    parsed_1qg1   1   
        21   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HA    parsed_1qg1   1   
        22   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        22   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        22   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HA    parsed_1qg1   1   
        23   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        23   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        23   1   2   .   .   .   .   .   .   .   .   1SHC    9   .   HA    parsed_1qg1   1   
        24   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        24   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        24   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HA    parsed_1qg1   1   
        24   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HA    parsed_1qg1   1   
        25   1   1   .   .   .   .   .   .   .   .   1SHC    6   .   HB    parsed_1qg1   1   
        25   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        25   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HA    parsed_1qg1   1   
        25   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HA    parsed_1qg1   1   
        26   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        26   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        26   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        27   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        27   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        27   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        27   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        28   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        28   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        28   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HB#   parsed_1qg1   1   
        29   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HA    parsed_1qg1   1   
        29   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        29   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        30   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HA    parsed_1qg1   1   
        30   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HA    parsed_1qg1   1   
        30   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        30   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        31   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HB#   parsed_1qg1   1   
        31   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        31   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        32   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HB#   parsed_1qg1   1   
        32   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        32   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        33   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HB#   parsed_1qg1   1   
        33   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        33   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        34   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        34   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        34   1   1   .   .   .   .   .   .   .   .   1SHC    9   .   HB#   parsed_1qg1   1   
        34   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        34   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        35   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        35   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        35   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        35   1   2   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        36   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        36   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        36   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HB#   parsed_1qg1   1   
        37   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        37   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        37   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HB    parsed_1qg1   1   
        38   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        38   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        38   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HB#   parsed_1qg1   1   
        39   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        39   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HB#   parsed_1qg1   1   
        39   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HB#   parsed_1qg1   1   
        40   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HB#   parsed_1qg1   1   
        40   1   1   .   .   .   .   .   .   .   .   1SHC   12   .   HB#   parsed_1qg1   1   
        40   1   2   .   .   .   .   .   .   .   .   1SHC   10   .   HB#   parsed_1qg1   1   
        41   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HB#   parsed_1qg1   1   
        41   1   1   .   .   .   .   .   .   .   .   1SHC   12   .   HB#   parsed_1qg1   1   
        41   1   2   .   .   .   .   .   .   .   .   1SHC    9   .   HG#   parsed_1qg1   1   
        42   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        42   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        42   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HB#   parsed_1qg1   1   
        43   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        43   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        43   1   2   .   .   .   .   .   .   .   .   1SHC    5   .   HB#   parsed_1qg1   1   
        43   1   2   .   .   .   .   .   .   .   .   1SHC   12   .   HB#   parsed_1qg1   1   
        44   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        44   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        44   1   2   .   .   .   .   .   .   .   .   1SHC    9   .   HG#   parsed_1qg1   1   
        45   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        45   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        45   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        45   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        45   1   2   .   .   .   .   .   .   .   .   1SHC    9   .   HB#   parsed_1qg1   1   
        46   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        46   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        46   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        46   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        47   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HA    parsed_1qg1   1   
        47   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        47   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        48   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HA    parsed_1qg1   1   
        48   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HA    parsed_1qg1   1   
        48   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        48   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        48   1   2   .   .   .   .   .   .   .   .   1SHC    9   .   HB#   parsed_1qg1   1   
        49   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HA    parsed_1qg1   1   
        49   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HB#   parsed_1qg1   1   
        49   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HG    parsed_1qg1   1   
        50   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HA    parsed_1qg1   1   
        50   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HA    parsed_1qg1   1   
        50   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        50   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        50   1   2   .   .   .   .   .   .   .   .   1SHC    9   .   HB#   parsed_1qg1   1   
        51   1   1   .   .   .   .   .   .   .   .   1SHC    2   .   HA    parsed_1qg1   1   
        51   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        51   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        52   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        52   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        52   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        52   1   2   .   .   .   .   .   .   .   .   1SHC    9   .   HB#   parsed_1qg1   1   
        53   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HD#   parsed_1qg1   1   
        53   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        53   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        54   1   1   .   .   .   .   .   .   .   .   1SHC    3   .   HB#   parsed_1qg1   1   
        54   1   2   .   .   .   .   .   .   .   .   1SHC    2   .   HB#   parsed_1qg1   1   
        54   1   2   .   .   .   .   .   .   .   .   1SHC    3   .   HG#   parsed_1qg1   1   
        55   1   1   .   .   .   .   .   .   .   .   1SHC   13   .   HB#   parsed_1qg1   1   
        55   1   1   .   .   .   .   .   .   .   .   1SHC   13   .   HD#   parsed_1qg1   1   
        55   1   2   .   .   .   .   .   .   .   .   1SHC   13   .   HG#   parsed_1qg1   1   
        56   1   1   .   .   .   .   .   .   .   .   1SHC   13   .   HG#   parsed_1qg1   1   
        56   1   2   .   .   .   .   .   .   .   .   1SHC   13   .   HB#   parsed_1qg1   1   
        56   1   2   .   .   .   .   .   .   .   .   1SHC   13   .   HD#   parsed_1qg1   1   
        57   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        57   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HB#   parsed_1qg1   1   
        57   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HG    parsed_1qg1   1   
        58   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        58   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HB#   parsed_1qg1   1   
        58   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HG    parsed_1qg1   1   
        59   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        59   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        59   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        60   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HD#   parsed_1qg1   1   
        60   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HE#   parsed_1qg1   1   
        60   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        61   1   1   .   .   .   .   .   .   .   .   1SHC    4   .   HA    parsed_1qg1   1   
        61   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HA    parsed_1qg1   1   
        61   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        61   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        62   1   1   .   .   .   .   .   .   .   .   1SHC    9   .   HA    parsed_1qg1   1   
        62   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        62   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        63   1   1   .   .   .   .   .   .   .   .   1SHC    5   .   HB#   parsed_1qg1   1   
        63   1   1   .   .   .   .   .   .   .   .   1SHC   12   .   HB#   parsed_1qg1   1   
        63   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        63   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        64   1   1   .   .   .   .   .   .   .   .   1SHC    9   .   HG#   parsed_1qg1   1   
        64   1   2   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        64   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        65   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HB#   parsed_1qg1   1   
        65   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HG    parsed_1qg1   1   
        65   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        66   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HB#   parsed_1qg1   1   
        66   1   1   .   .   .   .   .   .   .   .   1SHC   11   .   HG    parsed_1qg1   1   
        66   1   2   .   .   .   .   .   .   .   .   1SHC   11   .   HD*   parsed_1qg1   1   
        67   1   1   .   .   .   .   .   .   .   .   1SHC    6   .   HB    parsed_1qg1   1   
        67   1   1   .   .   .   .   .   .   .   .   1SHC    8   .   HG*   parsed_1qg1   1   
        67   1   2   .   .   .   .   .   .   .   .   1SHC    6   .   HG*   parsed_1qg1   1   
    stop_


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

         1   1   .   .   .   .   .   1.8   1.80   4.61   parsed_1qg1   1   
         2   1   .   .   .   .   .   1.8   1.80   5.94   parsed_1qg1   1   
         3   1   .   .   .   .   .   1.8   1.80   6.57   parsed_1qg1   1   
         4   1   .   .   .   .   .   1.8   1.80   4.83   parsed_1qg1   1   
         5   1   .   .   .   .   .   1.8   1.80   4.93   parsed_1qg1   1   
         6   1   .   .   .   .   .   1.8   1.80   4.53   parsed_1qg1   1   
         7   1   .   .   .   .   .   1.8   1.80   5.79   parsed_1qg1   1   
         8   1   .   .   .   .   .   1.8   1.80   6.17   parsed_1qg1   1   
         9   1   .   .   .   .   .   1.8   1.80   6.41   parsed_1qg1   1   
        10   1   .   .   .   .   .   1.8   1.80   7.81   parsed_1qg1   1   
        11   1   .   .   .   .   .   1.8   1.80   4.75   parsed_1qg1   1   
        12   1   .   .   .   .   .   1.8   1.80   4.76   parsed_1qg1   1   
        13   1   .   .   .   .   .   1.8   1.80   5.40   parsed_1qg1   1   
        14   1   .   .   .   .   .   1.8   1.80   5.47   parsed_1qg1   1   
        15   1   .   .   .   .   .   1.8   1.80   5.71   parsed_1qg1   1   
        16   1   .   .   .   .   .   1.8   1.80   4.49   parsed_1qg1   1   
        17   1   .   .   .   .   .   1.8   1.80   5.38   parsed_1qg1   1   
        18   1   .   .   .   .   .   1.8   1.80   6.45   parsed_1qg1   1   
        19   1   .   .   .   .   .   1.8   1.80   6.14   parsed_1qg1   1   
        20   1   .   .   .   .   .   1.8   1.80   4.35   parsed_1qg1   1   
        21   1   .   .   .   .   .   1.8   1.80   4.93   parsed_1qg1   1   
        22   1   .   .   .   .   .   1.8   1.80   5.00   parsed_1qg1   1   
        23   1   .   .   .   .   .   1.8   1.80   8.16   parsed_1qg1   1   
        24   1   .   .   .   .   .   1.8   1.80   8.18   parsed_1qg1   1   
        25   1   .   .   .   .   .   1.8   1.80   5.45   parsed_1qg1   1   
        26   1   .   .   .   .   .   1.8   1.80   6.39   parsed_1qg1   1   
        27   1   .   .   .   .   .   1.8   1.80   6.66   parsed_1qg1   1   
        28   1   .   .   .   .   .   1.8   1.80   5.32   parsed_1qg1   1   
        29   1   .   .   .   .   .   1.8   1.80   3.55   parsed_1qg1   1   
        30   1   .   .   .   .   .   1.8   1.80   5.39   parsed_1qg1   1   
        31   1   .   .   .   .   .   1.8   1.80   5.16   parsed_1qg1   1   
        32   1   .   .   .   .   .   1.8   1.80   5.02   parsed_1qg1   1   
        33   1   .   .   .   .   .   1.8   1.80   5.65   parsed_1qg1   1   
        34   1   .   .   .   .   .   1.8   1.80   5.95   parsed_1qg1   1   
        35   1   .   .   .   .   .   1.8   1.80   6.83   parsed_1qg1   1   
        36   1   .   .   .   .   .   1.8   1.80   5.30   parsed_1qg1   1   
        37   1   .   .   .   .   .   1.8   1.80   5.30   parsed_1qg1   1   
        38   1   .   .   .   .   .   1.8   1.80   5.49   parsed_1qg1   1   
        39   1   .   .   .   .   .   1.8   1.80   6.00   parsed_1qg1   1   
        40   1   .   .   .   .   .   1.8   1.80   5.31   parsed_1qg1   1   
        41   1   .   .   .   .   .   1.8   1.80   6.61   parsed_1qg1   1   
        42   1   .   .   .   .   .   1.8   1.80   6.45   parsed_1qg1   1   
        43   1   .   .   .   .   .   1.8   1.80   8.91   parsed_1qg1   1   
        44   1   .   .   .   .   .   1.8   1.80   8.60   parsed_1qg1   1   
        45   1   .   .   .   .   .   1.8   1.80   5.80   parsed_1qg1   1   
        46   1   .   .   .   .   .   1.8   1.80   6.02   parsed_1qg1   1   
        47   1   .   .   .   .   .   1.8   1.80   4.34   parsed_1qg1   1   
        48   1   .   .   .   .   .   1.8   1.80   5.72   parsed_1qg1   1   
        49   1   .   .   .   .   .   1.8   1.80   3.53   parsed_1qg1   1   
        50   1   .   .   .   .   .   1.8   1.80   4.03   parsed_1qg1   1   
        51   1   .   .   .   .   .   1.8   1.80   3.88   parsed_1qg1   1   
        52   1   .   .   .   .   .   1.8   1.80   4.89   parsed_1qg1   1   
        53   1   .   .   .   .   .   1.8   1.80   5.83   parsed_1qg1   1   
        54   1   .   .   .   .   .   1.8   1.80   5.86   parsed_1qg1   1   
        55   1   .   .   .   .   .   1.8   1.80   5.65   parsed_1qg1   1   
        56   1   .   .   .   .   .   1.8   1.80   4.95   parsed_1qg1   1   
        57   1   .   .   .   .   .   1.8   1.80   5.04   parsed_1qg1   1   
        58   1   .   .   .   .   .   1.8   1.80   5.40   parsed_1qg1   1   
        59   1   .   .   .   .   .   1.8   1.80   5.90   parsed_1qg1   1   
        60   1   .   .   .   .   .   1.8   1.80   5.43   parsed_1qg1   1   
        61   1   .   .   .   .   .   1.8   1.80   6.05   parsed_1qg1   1   
        62   1   .   .   .   .   .   1.8   1.80   5.51   parsed_1qg1   1   
        63   1   .   .   .   .   .   1.8   1.80   7.80   parsed_1qg1   1   
        64   1   .   .   .   .   .   1.8   1.80   6.53   parsed_1qg1   1   
        65   1   .   .   .   .   .   1.8   1.80   4.59   parsed_1qg1   1   
        66   1   .   .   .   .   .   1.8   1.80   4.85   parsed_1qg1   1   
        67   1   .   .   .   .   .   1.8   1.80   5.94   parsed_1qg1   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    16     2   108     2   111   parsed_1qg1   1   
         2    17     4   108     4   111   parsed_1qg1   1   
         3    18     6   108     6   111   parsed_1qg1   1   
         4    19     8   108     8   111   parsed_1qg1   1   
         5    20    10   108    10   111   parsed_1qg1   1   
         6    21    12   108    12   111   parsed_1qg1   1   
         7    22    14   108    14   111   parsed_1qg1   1   
         8    23    16   108    16   111   parsed_1qg1   1   
         9    24    18   108    18   111   parsed_1qg1   1   
        10    26    20   108    20   111   parsed_1qg1   1   
        11    50    22   108    22   111   parsed_1qg1   1   
        12   116    24   108    24   112   parsed_1qg1   1   
        13   126    26   108    26   112   parsed_1qg1   1   
        14   129    28   108    28   112   parsed_1qg1   1   
        15   130    30   108    30   112   parsed_1qg1   1   
        16   184    32   108    32   112   parsed_1qg1   1   
        17   185    34   108    34   112   parsed_1qg1   1   
        18   186    36   108    36   112   parsed_1qg1   1   
        19   187    38   108    38   112   parsed_1qg1   1   
        20   212    40   108    40   112   parsed_1qg1   1   
        21   214    43   108    43   112   parsed_1qg1   1   
        22   215    45   108    45   112   parsed_1qg1   1   
        23   219    47   108    47   112   parsed_1qg1   1   
        24   220    49   108    49   112   parsed_1qg1   1   
        25   221    51   108    51   112   parsed_1qg1   1   
        26   224    53   108    53   112   parsed_1qg1   1   
        27   225    55   108    55   112   parsed_1qg1   1   
        28   226    57   108    57   112   parsed_1qg1   1   
        29   245    59   108    59   112   parsed_1qg1   1   
        30   257    61   108    61   112   parsed_1qg1   1   
        31   306    63   108    63   112   parsed_1qg1   1   
        32   307    65   108    65   112   parsed_1qg1   1   
        33   309    67   108    67   112   parsed_1qg1   1   
        34   314    70   108    70   112   parsed_1qg1   1   
        35   315    72   108    72   112   parsed_1qg1   1   
        36   322    74   108    74   112   parsed_1qg1   1   
        37   323    76   108    76   112   parsed_1qg1   1   
        38   367    78   108    78   112   parsed_1qg1   1   
        39   369    80   108    80   112   parsed_1qg1   1   
        40   377    82   108    82   112   parsed_1qg1   1   
        41   400    84   108    84   112   parsed_1qg1   1   
        42   417    86   108    86   112   parsed_1qg1   1   
        43   426    88   108    88   112   parsed_1qg1   1   
        44   428    90   108    90   112   parsed_1qg1   1   
        45   433    93   108    93   112   parsed_1qg1   1   
        46   434    95   108    95   112   parsed_1qg1   1   
        47   435    97   108    97   112   parsed_1qg1   1   
        48   446   100   108   100   112   parsed_1qg1   1   
        49   451   102   108   102   112   parsed_1qg1   1   
        50   455   105   108   105   112   parsed_1qg1   1   
        51   456   107   108   107   112   parsed_1qg1   1   
        52   458   110   108   110   112   parsed_1qg1   1   
        53   461   112   108   112   112   parsed_1qg1   1   
        54   465   114   108   114   112   parsed_1qg1   1   
        55   484   116   108   116   112   parsed_1qg1   1   
        56   489   118   108   118   112   parsed_1qg1   1   
        57   506   120   108   120   112   parsed_1qg1   1   
        58   507   122   108   122   112   parsed_1qg1   1   
        59   510   124   108   124   112   parsed_1qg1   1   
        60   511   126   108   126   112   parsed_1qg1   1   
        61   520   128   108   128   112   parsed_1qg1   1   
        62   521   130   108   130   112   parsed_1qg1   1   
        63   534   132   108   132   112   parsed_1qg1   1   
        64   536   134   108   134   112   parsed_1qg1   1   
        65   539   136   108   136   112   parsed_1qg1   1   
        66   540   138   108   138   112   parsed_1qg1   1   
        67   548   140   108   140   112   parsed_1qg1   1   
    stop_

save_





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