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
627903 5mf8 34066 cing 2-parsed STAR distance NOE simple 85


data_5mf8_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5mf8 
    _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_5mf8   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5mf8 
    _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   5mf8   "Master copy"    parsed_5mf8   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5mf8 
    _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   5mf8.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_5mf8   1   
        1   5mf8.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             85   parsed_5mf8   1   
        1   5mf8.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_5mf8   1   
        1   5mf8.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_5mf8   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_5mf8 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _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_5mf8   1   
         2   1   .   .   .   parsed_5mf8   1   
         3   1   .   .   .   parsed_5mf8   1   
         4   1   .   .   .   parsed_5mf8   1   
         5   1   .   .   .   parsed_5mf8   1   
         6   1   .   .   .   parsed_5mf8   1   
         7   1   .   .   .   parsed_5mf8   1   
         8   1   .   .   .   parsed_5mf8   1   
         9   1   .   .   .   parsed_5mf8   1   
        10   1   .   .   .   parsed_5mf8   1   
        11   1   .   .   .   parsed_5mf8   1   
        12   1   .   .   .   parsed_5mf8   1   
        13   1   .   .   .   parsed_5mf8   1   
        14   1   .   .   .   parsed_5mf8   1   
        15   1   .   .   .   parsed_5mf8   1   
        16   1   .   .   .   parsed_5mf8   1   
        17   1   .   .   .   parsed_5mf8   1   
        18   1   .   .   .   parsed_5mf8   1   
        19   1   .   .   .   parsed_5mf8   1   
        20   1   .   .   .   parsed_5mf8   1   
        21   1   .   .   .   parsed_5mf8   1   
        22   1   .   .   .   parsed_5mf8   1   
        23   1   .   .   .   parsed_5mf8   1   
        24   1   .   .   .   parsed_5mf8   1   
        25   1   .   .   .   parsed_5mf8   1   
        26   1   .   .   .   parsed_5mf8   1   
        27   1   .   .   .   parsed_5mf8   1   
        28   1   .   .   .   parsed_5mf8   1   
        29   1   .   .   .   parsed_5mf8   1   
        30   1   .   .   .   parsed_5mf8   1   
        31   1   .   .   .   parsed_5mf8   1   
        32   1   .   .   .   parsed_5mf8   1   
        33   1   .   .   .   parsed_5mf8   1   
        34   1   .   .   .   parsed_5mf8   1   
        35   1   .   .   .   parsed_5mf8   1   
        36   1   .   .   .   parsed_5mf8   1   
        37   1   .   .   .   parsed_5mf8   1   
        38   1   .   .   .   parsed_5mf8   1   
        39   1   .   .   .   parsed_5mf8   1   
        40   1   .   .   .   parsed_5mf8   1   
        41   1   .   .   .   parsed_5mf8   1   
        42   1   .   .   .   parsed_5mf8   1   
        43   1   .   .   .   parsed_5mf8   1   
        44   1   .   .   .   parsed_5mf8   1   
        45   1   .   .   .   parsed_5mf8   1   
        46   1   .   .   .   parsed_5mf8   1   
        47   1   .   .   .   parsed_5mf8   1   
        48   1   .   .   .   parsed_5mf8   1   
        49   1   .   .   .   parsed_5mf8   1   
        50   1   .   .   .   parsed_5mf8   1   
        51   1   .   .   .   parsed_5mf8   1   
        52   1   .   .   .   parsed_5mf8   1   
        53   1   .   .   .   parsed_5mf8   1   
        54   1   .   .   .   parsed_5mf8   1   
        55   1   .   .   .   parsed_5mf8   1   
        56   1   .   .   .   parsed_5mf8   1   
        57   1   .   .   .   parsed_5mf8   1   
        58   1   .   .   .   parsed_5mf8   1   
        59   1   .   .   .   parsed_5mf8   1   
        60   1   .   .   .   parsed_5mf8   1   
        61   1   .   .   .   parsed_5mf8   1   
        62   1   .   .   .   parsed_5mf8   1   
        63   1   .   .   .   parsed_5mf8   1   
        64   1   .   .   .   parsed_5mf8   1   
        65   1   .   .   .   parsed_5mf8   1   
        66   1   .   .   .   parsed_5mf8   1   
        67   1   .   .   .   parsed_5mf8   1   
        68   1   .   .   .   parsed_5mf8   1   
        69   1   .   .   .   parsed_5mf8   1   
        70   1   .   .   .   parsed_5mf8   1   
        71   1   .   .   .   parsed_5mf8   1   
        72   1   .   .   .   parsed_5mf8   1   
        73   1   .   .   .   parsed_5mf8   1   
        74   1   .   .   .   parsed_5mf8   1   
        75   1   .   .   .   parsed_5mf8   1   
        76   1   .   .   .   parsed_5mf8   1   
        77   1   .   .   .   parsed_5mf8   1   
        78   1   .   .   .   parsed_5mf8   1   
        79   1   .   .   .   parsed_5mf8   1   
        80   1   .   .   .   parsed_5mf8   1   
        81   1   .   .   .   parsed_5mf8   1   
        82   1   .   .   .   parsed_5mf8   1   
        83   1   .   .   .   parsed_5mf8   1   
        84   1   .   .   .   parsed_5mf8   1   
        85   1   .   .   .   parsed_5mf8   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   .   .   .   .   .   .   .   .   .    3   ASN   HN     parsed_5mf8   1   
         1   1   2   .   .   .   .   .   .   .   .   .    3   ASN   HB3    parsed_5mf8   1   
         2   1   1   .   .   .   .   .   .   .   .   .    3   ASN   HN     parsed_5mf8   1   
         2   1   2   .   .   .   .   .   .   .   .   .    3   ASN   HB2    parsed_5mf8   1   
         3   1   1   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
         3   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HB13   parsed_5mf8   1   
         4   1   1   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
         4   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HB12   parsed_5mf8   1   
         5   1   1   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
         5   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HB3    parsed_5mf8   1   
         6   1   1   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
         6   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HB2    parsed_5mf8   1   
         7   1   1   .   .   .   .   .   .   .   .   .    3   ASN   HB3    parsed_5mf8   1   
         7   1   2   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
         8   1   1   .   .   .   .   .   .   .   .   .    3   ASN   HB2    parsed_5mf8   1   
         8   1   2   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
         9   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
         9   1   2   .   .   .   .   .   .   .   .   .    4   ILE   HB     parsed_5mf8   1   
        10   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        10   1   2   .   .   .   .   .   .   .   .   .    8   LEU   HB3    parsed_5mf8   1   
        11   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        11   1   2   .   .   .   .   .   .   .   .   .    8   LEU   HB2    parsed_5mf8   1   
        12   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HA     parsed_5mf8   1   
        12   1   2   .   .   .   .   .   .   .   .   .    8   LEU   HB3    parsed_5mf8   1   
        13   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HA     parsed_5mf8   1   
        13   1   2   .   .   .   .   .   .   .   .   .    8   LEU   HB2    parsed_5mf8   1   
        14   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        14   1   2   .   .   .   .   .   .   .   .   .    9   LEU   HB3    parsed_5mf8   1   
        15   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        15   1   2   .   .   .   .   .   .   .   .   .    9   LEU   HB2    parsed_5mf8   1   
        16   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
        16   1   2   .   .   .   .   .   .   .   .   .    6   AIB   HN     parsed_5mf8   1   
        17   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        17   1   2   .   .   .   .   .   .   .   .   .    6   AIB   HN     parsed_5mf8   1   
        18   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HB     parsed_5mf8   1   
        18   1   2   .   .   .   .   .   .   .   .   .    6   AIB   HN     parsed_5mf8   1   
        19   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        19   1   2   .   .   .   .   .   .   .   .   .    9   LEU   HN     parsed_5mf8   1   
        20   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        20   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
        21   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HB     parsed_5mf8   1   
        21   1   2   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        22   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HA     parsed_5mf8   1   
        22   1   2   .   .   .   .   .   .   .   .   .    9   LEU   HN     parsed_5mf8   1   
        23   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
        23   1   2   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        24   1   1   .   .   .   .   .   .   .   .   .    2   AIB   HN     parsed_5mf8   1   
        24   1   2   .   .   .   .   .   .   .   .   .    3   ASN   HN     parsed_5mf8   1   
        25   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HN     parsed_5mf8   1   
        25   1   2   .   .   .   .   .   .   .   .   .   10   AIB   HN     parsed_5mf8   1   
        26   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        26   1   2   .   .   .   .   .   .   .   .   .    5   ILE   HB     parsed_5mf8   1   
        27   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
        27   1   2   .   .   .   .   .   .   .   .   .    4   ILE   HG13   parsed_5mf8   1   
        28   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
        28   1   2   .   .   .   .   .   .   .   .   .    4   ILE   HG12   parsed_5mf8   1   
        29   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        29   1   2   .   .   .   .   .   .   .   .   .    8   LEU   HG     parsed_5mf8   1   
        30   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HA     parsed_5mf8   1   
        30   1   2   .   .   .   .   .   .   .   .   .    8   LEU   HG     parsed_5mf8   1   
        31   1   1   .   .   .   .   .   .   .   .   .    6   AIB   HN     parsed_5mf8   1   
        31   1   2   .   .   .   .   .   .   .   .   .    7   PRO   HD3    parsed_5mf8   1   
        32   1   1   .   .   .   .   .   .   .   .   .    6   AIB   HN     parsed_5mf8   1   
        32   1   2   .   .   .   .   .   .   .   .   .    7   PRO   HD2    parsed_5mf8   1   
        33   1   1   .   .   .   .   .   .   .   .   .   10   AIB   HN     parsed_5mf8   1   
        33   1   2   .   .   .   .   .   .   .   .   .   11   PRO   HD2    parsed_5mf8   1   
        34   1   1   .   .   .   .   .   .   .   .   .   10   AIB   HN     parsed_5mf8   1   
        34   1   2   .   .   .   .   .   .   .   .   .   11   PRO   HD3    parsed_5mf8   1   
        35   1   1   .   .   .   .   .   .   .   .   .    1   ACE   Q1     parsed_5mf8   1   
        35   1   2   .   .   .   .   .   .   .   .   .    3   ASN   HN     parsed_5mf8   1   
        36   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
        36   1   2   .   .   .   .   .   .   .   .   .    4   ILE   QG2    parsed_5mf8   1   
        37   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HA     parsed_5mf8   1   
        37   1   2   .   .   .   .   .   .   .   .   .    4   ILE   QD1    parsed_5mf8   1   
        38   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        38   1   2   .   .   .   .   .   .   .   .   .    5   ILE   QG2    parsed_5mf8   1   
        39   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HA     parsed_5mf8   1   
        39   1   2   .   .   .   .   .   .   .   .   .    5   ILE   QD1    parsed_5mf8   1   
        40   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        40   1   2   .   .   .   .   .   .   .   .   .    8   LEU   QD2    parsed_5mf8   1   
        41   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        41   1   2   .   .   .   .   .   .   .   .   .    8   LEU   QD1    parsed_5mf8   1   
        42   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        42   1   2   .   .   .   .   .   .   .   .   .    9   LEU   QD2    parsed_5mf8   1   
        43   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        43   1   2   .   .   .   .   .   .   .   .   .    9   LEU   QD1    parsed_5mf8   1   
        44   1   1   .   .   .   .   .   .   .   .   .    5   ILE   QG2    parsed_5mf8   1   
        44   1   2   .   .   .   .   .   .   .   .   .    6   AIB   HN     parsed_5mf8   1   
        45   1   1   .   .   .   .   .   .   .   .   .    2   AIB   QB2    parsed_5mf8   1   
        45   1   2   .   .   .   .   .   .   .   .   .    3   ASN   HN     parsed_5mf8   1   
        46   1   1   .   .   .   .   .   .   .   .   .    1   ACE   Q1     parsed_5mf8   1   
        46   1   2   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
        47   1   1   .   .   .   .   .   .   .   .   .    2   AIB   QB2    parsed_5mf8   1   
        47   1   2   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
        48   1   1   .   .   .   .   .   .   .   .   .   10   AIB   QB1    parsed_5mf8   1   
        48   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
        49   1   1   .   .   .   .   .   .   .   .   .    6   AIB   QB2    parsed_5mf8   1   
        49   1   2   .   .   .   .   .   .   .   .   .   10   AIB   HN     parsed_5mf8   1   
        50   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        50   1   2   .   .   .   .   .   .   .   .   .    6   AIB   QB2    parsed_5mf8   1   
        51   1   1   .   .   .   .   .   .   .   .   .    2   AIB   QB2    parsed_5mf8   1   
        51   1   2   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        52   1   1   .   .   .   .   .   .   .   .   .    6   AIB   QB1    parsed_5mf8   1   
        52   1   2   .   .   .   .   .   .   .   .   .    7   PRO   HA     parsed_5mf8   1   
        53   1   1   .   .   .   .   .   .   .   .   .    6   AIB   QB2    parsed_5mf8   1   
        53   1   2   .   .   .   .   .   .   .   .   .    9   LEU   HN     parsed_5mf8   1   
        54   1   1   .   .   .   .   .   .   .   .   .    2   AIB   QB1    parsed_5mf8   1   
        54   1   2   .   .   .   .   .   .   .   .   .    3   ASN   HN     parsed_5mf8   1   
        55   1   1   .   .   .   .   .   .   .   .   .    3   ASN   HN     parsed_5mf8   1   
        55   1   2   .   .   .   .   .   .   .   .   .    3   ASN   QB     parsed_5mf8   1   
        56   1   1   .   .   .   .   .   .   .   .   .    3   ASN   QB     parsed_5mf8   1   
        56   1   2   .   .   .   .   .   .   .   .   .    3   ASN   QD2    parsed_5mf8   1   
        57   1   1   .   .   .   .   .   .   .   .   .    3   ASN   QB     parsed_5mf8   1   
        57   1   2   .   .   .   .   .   .   .   .   .    4   ILE   HN     parsed_5mf8   1   
        58   1   1   .   .   .   .   .   .   .   .   .    4   ILE   HA     parsed_5mf8   1   
        58   1   2   .   .   .   .   .   .   .   .   .    4   ILE   QG1    parsed_5mf8   1   
        59   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        59   1   2   .   .   .   .   .   .   .   .   .    5   ILE   QG1    parsed_5mf8   1   
        60   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HN     parsed_5mf8   1   
        60   1   2   .   .   .   .   .   .   .   .   .    7   PRO   QD     parsed_5mf8   1   
        61   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HA     parsed_5mf8   1   
        61   1   2   .   .   .   .   .   .   .   .   .    7   PRO   QD     parsed_5mf8   1   
        62   1   1   .   .   .   .   .   .   .   .   .    5   ILE   HB     parsed_5mf8   1   
        62   1   2   .   .   .   .   .   .   .   .   .    5   ILE   QG1    parsed_5mf8   1   
        63   1   1   .   .   .   .   .   .   .   .   .    5   ILE   QG1    parsed_5mf8   1   
        63   1   2   .   .   .   .   .   .   .   .   .    6   AIB   HN     parsed_5mf8   1   
        64   1   1   .   .   .   .   .   .   .   .   .    6   AIB   HN     parsed_5mf8   1   
        64   1   2   .   .   .   .   .   .   .   .   .    7   PRO   QD     parsed_5mf8   1   
        65   1   1   .   .   .   .   .   .   .   .   .    7   PRO   QD     parsed_5mf8   1   
        65   1   2   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        66   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        66   1   2   .   .   .   .   .   .   .   .   .    8   LEU   QB     parsed_5mf8   1   
        67   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HN     parsed_5mf8   1   
        67   1   2   .   .   .   .   .   .   .   .   .    8   LEU   QQD    parsed_5mf8   1   
        68   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HA     parsed_5mf8   1   
        68   1   2   .   .   .   .   .   .   .   .   .    8   LEU   QB     parsed_5mf8   1   
        69   1   1   .   .   .   .   .   .   .   .   .    8   LEU   HA     parsed_5mf8   1   
        69   1   2   .   .   .   .   .   .   .   .   .    8   LEU   QQD    parsed_5mf8   1   
        70   1   1   .   .   .   .   .   .   .   .   .    8   LEU   QB     parsed_5mf8   1   
        70   1   2   .   .   .   .   .   .   .   .   .    9   LEU   HN     parsed_5mf8   1   
        71   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HN     parsed_5mf8   1   
        71   1   2   .   .   .   .   .   .   .   .   .    9   LEU   QB     parsed_5mf8   1   
        72   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HN     parsed_5mf8   1   
        72   1   2   .   .   .   .   .   .   .   .   .    9   LEU   QQD    parsed_5mf8   1   
        73   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        73   1   2   .   .   .   .   .   .   .   .   .    9   LEU   QB     parsed_5mf8   1   
        74   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        74   1   2   .   .   .   .   .   .   .   .   .    9   LEU   QQD    parsed_5mf8   1   
        75   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        75   1   2   .   .   .   .   .   .   .   .   .   11   PRO   QD     parsed_5mf8   1   
        76   1   1   .   .   .   .   .   .   .   .   .    9   LEU   HA     parsed_5mf8   1   
        76   1   2   .   .   .   .   .   .   .   .   .   12   DCL   QB     parsed_5mf8   1   
        77   1   1   .   .   .   .   .   .   .   .   .    9   LEU   QB     parsed_5mf8   1   
        77   1   2   .   .   .   .   .   .   .   .   .   10   AIB   HN     parsed_5mf8   1   
        78   1   1   .   .   .   .   .   .   .   .   .   10   AIB   HN     parsed_5mf8   1   
        78   1   2   .   .   .   .   .   .   .   .   .   11   PRO   QD     parsed_5mf8   1   
        79   1   1   .   .   .   .   .   .   .   .   .   10   AIB   QB2    parsed_5mf8   1   
        79   1   2   .   .   .   .   .   .   .   .   .   11   PRO   QD     parsed_5mf8   1   
        80   1   1   .   .   .   .   .   .   .   .   .   11   PRO   QB     parsed_5mf8   1   
        80   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
        81   1   1   .   .   .   .   .   .   .   .   .   11   PRO   QG     parsed_5mf8   1   
        81   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
        82   1   1   .   .   .   .   .   .   .   .   .   11   PRO   QD     parsed_5mf8   1   
        82   1   2   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
        83   1   1   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
        83   1   2   .   .   .   .   .   .   .   .   .   12   DCL   QB     parsed_5mf8   1   
        84   1   1   .   .   .   .   .   .   .   .   .   12   DCL   HN     parsed_5mf8   1   
        84   1   2   .   .   .   .   .   .   .   .   .   12   DCL   QB1    parsed_5mf8   1   
        85   1   1   .   .   .   .   .   .   .   .   .   12   DCL   QB     parsed_5mf8   1   
        85   1   2   .   .   .   .   .   .   .   .   .   12   DCL   QB1    parsed_5mf8   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   .   .   .   .   .   .   .   3.67   parsed_5mf8   1   
         2   1   .   .   .   .   .   .   .   3.67   parsed_5mf8   1   
         3   1   .   .   .   .   .   .   .   4.11   parsed_5mf8   1   
         4   1   .   .   .   .   .   .   .   4.11   parsed_5mf8   1   
         5   1   .   .   .   .   .   .   .   4.07   parsed_5mf8   1   
         6   1   .   .   .   .   .   .   .   4.07   parsed_5mf8   1   
         7   1   .   .   .   .   .   .   .   3.95   parsed_5mf8   1   
         8   1   .   .   .   .   .   .   .   3.95   parsed_5mf8   1   
         9   1   .   .   .   .   .   .   .   3.05   parsed_5mf8   1   
        10   1   .   .   .   .   .   .   .   3.61   parsed_5mf8   1   
        11   1   .   .   .   .   .   .   .   3.61   parsed_5mf8   1   
        12   1   .   .   .   .   .   .   .   2.96   parsed_5mf8   1   
        13   1   .   .   .   .   .   .   .   2.96   parsed_5mf8   1   
        14   1   .   .   .   .   .   .   .   2.96   parsed_5mf8   1   
        15   1   .   .   .   .   .   .   .   2.96   parsed_5mf8   1   
        16   1   .   .   .   .   .   .   .   4.14   parsed_5mf8   1   
        17   1   .   .   .   .   .   .   .   2.80   parsed_5mf8   1   
        18   1   .   .   .   .   .   .   .   3.52   parsed_5mf8   1   
        19   1   .   .   .   .   .   .   .   2.83   parsed_5mf8   1   
        20   1   .   .   .   .   .   .   .   3.95   parsed_5mf8   1   
        21   1   .   .   .   .   .   .   .   3.27   parsed_5mf8   1   
        22   1   .   .   .   .   .   .   .   4.07   parsed_5mf8   1   
        23   1   .   .   .   .   .   .   .   2.77   parsed_5mf8   1   
        24   1   .   .   .   .   .   .   .   3.52   parsed_5mf8   1   
        25   1   .   .   .   .   .   .   .   2.80   parsed_5mf8   1   
        26   1   .   .   .   .   .   .   .   3.14   parsed_5mf8   1   
        27   1   .   .   .   .   .   .   .   3.83   parsed_5mf8   1   
        28   1   .   .   .   .   .   .   .   3.83   parsed_5mf8   1   
        29   1   .   .   .   .   .   .   .   3.33   parsed_5mf8   1   
        30   1   .   .   .   .   .   .   .   3.21   parsed_5mf8   1   
        31   1   .   .   .   .   .   .   .   4.51   parsed_5mf8   1   
        32   1   .   .   .   .   .   .   .   4.51   parsed_5mf8   1   
        33   1   .   .   .   .   .   .   .   4.26   parsed_5mf8   1   
        34   1   .   .   .   .   .   .   .   4.26   parsed_5mf8   1   
        35   1   .   .   .   .   .   .   .   6.53   parsed_5mf8   1   
        36   1   .   .   .   .   .   .   .   5.22   parsed_5mf8   1   
        37   1   .   .   .   .   .   .   .   4.88   parsed_5mf8   1   
        38   1   .   .   .   .   .   .   .   5.22   parsed_5mf8   1   
        39   1   .   .   .   .   .   .   .   5.56   parsed_5mf8   1   
        40   1   .   .   .   .   .   .   .   6.52   parsed_5mf8   1   
        41   1   .   .   .   .   .   .   .   6.52   parsed_5mf8   1   
        42   1   .   .   .   .   .   .   .   4.94   parsed_5mf8   1   
        43   1   .   .   .   .   .   .   .   4.94   parsed_5mf8   1   
        44   1   .   .   .   .   .   .   .   6.24   parsed_5mf8   1   
        45   1   .   .   .   .   .   .   .   5.37   parsed_5mf8   1   
        46   1   .   .   .   .   .   .   .   6.53   parsed_5mf8   1   
        47   1   .   .   .   .   .   .   .   6.55   parsed_5mf8   1   
        48   1   .   .   .   .   .   .   .   6.30   parsed_5mf8   1   
        49   1   .   .   .   .   .   .   .   5.71   parsed_5mf8   1   
        50   1   .   .   .   .   .   .   .   5.40   parsed_5mf8   1   
        51   1   .   .   .   .   .   .   .   4.41   parsed_5mf8   1   
        52   1   .   .   .   .   .   .   .   4.59   parsed_5mf8   1   
        53   1   .   .   .   .   .   .   .   4.72   parsed_5mf8   1   
        54   1   .   .   .   .   .   .   .   5.56   parsed_5mf8   1   
        55   1   .   .   .   .   .   .   .   3.20   parsed_5mf8   1   
        56   1   .   .   .   .   .   .   .   3.16   parsed_5mf8   1   
        57   1   .   .   .   .   .   .   .   3.46   parsed_5mf8   1   
        58   1   .   .   .   .   .   .   .   2.38   parsed_5mf8   1   
        59   1   .   .   .   .   .   .   .   3.60   parsed_5mf8   1   
        60   1   .   .   .   .   .   .   .   4.61   parsed_5mf8   1   
        61   1   .   .   .   .   .   .   .   4.61   parsed_5mf8   1   
        62   1   .   .   .   .   .   .   .   2.31   parsed_5mf8   1   
        63   1   .   .   .   .   .   .   .   4.60   parsed_5mf8   1   
        64   1   .   .   .   .   .   .   .   3.75   parsed_5mf8   1   
        65   1   .   .   .   .   .   .   .   3.76   parsed_5mf8   1   
        66   1   .   .   .   .   .   .   .   2.85   parsed_5mf8   1   
        67   1   .   .   .   .   .   .   .   5.72   parsed_5mf8   1   
        68   1   .   .   .   .   .   .   .   2.30   parsed_5mf8   1   
        69   1   .   .   .   .   .   .   .   4.35   parsed_5mf8   1   
        70   1   .   .   .   .   .   .   .   3.38   parsed_5mf8   1   
        71   1   .   .   .   .   .   .   .   2.90   parsed_5mf8   1   
        72   1   .   .   .   .   .   .   .   5.47   parsed_5mf8   1   
        73   1   .   .   .   .   .   .   .   2.30   parsed_5mf8   1   
        74   1   .   .   .   .   .   .   .   4.26   parsed_5mf8   1   
        75   1   .   .   .   .   .   .   .   4.33   parsed_5mf8   1   
        76   1   .   .   .   .   .   .   .   4.07   parsed_5mf8   1   
        77   1   .   .   .   .   .   .   .   3.85   parsed_5mf8   1   
        78   1   .   .   .   .   .   .   .   3.54   parsed_5mf8   1   
        79   1   .   .   .   .   .   .   .   4.01   parsed_5mf8   1   
        80   1   .   .   .   .   .   .   .   3.67   parsed_5mf8   1   
        81   1   .   .   .   .   .   .   .   4.14   parsed_5mf8   1   
        82   1   .   .   .   .   .   .   .   4.10   parsed_5mf8   1   
        83   1   .   .   .   .   .   .   .   3.17   parsed_5mf8   1   
        84   1   .   .   .   .   .   .   .   3.48   parsed_5mf8   1   
        85   1   .   .   .   .   .   .   .   3.12   parsed_5mf8   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   "Restraints file 1: 1_HarzTFE25H_mod.upl"     1    1    1   41   parsed_5mf8   1   
         2   "peak     7"                                  2   49    2   59   parsed_5mf8   1   
         3   "peak    10"                                  3   49    3   59   parsed_5mf8   1   
         4   "peak    19"                                  4   49    4   59   parsed_5mf8   1   
         5   "peak    20"                                  5   49    5   59   parsed_5mf8   1   
         6   "peak    21"                                  6   49    6   59   parsed_5mf8   1   
         7   "peak    22"                                  7   49    7   59   parsed_5mf8   1   
         8   "peak    37"                                  8   49    8   59   parsed_5mf8   1   
         9   "peak    38"                                  9   49    9   59   parsed_5mf8   1   
        10   "peak    39"                                 10   49   10   59   parsed_5mf8   1   
        11   "peak    75"                                 11   49   11   59   parsed_5mf8   1   
        12   "peak    77"                                 12   49   12   59   parsed_5mf8   1   
        13   "peak    89"                                 13   49   13   59   parsed_5mf8   1   
        14   "peak    81"                                 14   49   14   59   parsed_5mf8   1   
        15   "peak    98"                                 15   49   15   59   parsed_5mf8   1   
        16   "peak   105"                                 16   49   16   59   parsed_5mf8   1   
        17   "peak   205"                                 17   49   17   59   parsed_5mf8   1   
        18   "peak   204"                                 18   49   18   59   parsed_5mf8   1   
        19   "peak   178"                                 19   49   19   59   parsed_5mf8   1   
        20   "peak   207"                                 20   49   20   59   parsed_5mf8   1   
        21   "peak   188"                                 21   49   21   59   parsed_5mf8   1   
        22   "peak   200"                                 22   49   22   59   parsed_5mf8   1   
        23   "peak   203"                                 23   49   23   59   parsed_5mf8   1   
        24   "peak   206"                                 24   49   24   59   parsed_5mf8   1   
        25   "peak   208"                                 25   49   25   59   parsed_5mf8   1   
        26   "peak   209"                                 26   49   26   59   parsed_5mf8   1   
        27   "peak   261"                                 27   49   27   59   parsed_5mf8   1   
        28   "peak    40"                                 28   49   28   59   parsed_5mf8   1   
        29   "peak    41"                                 29   49   29   59   parsed_5mf8   1   
        30   "peak    76"                                 30   49   30   59   parsed_5mf8   1   
        31   "peak    90"                                 31   49   31   59   parsed_5mf8   1   
        32   "peak   176"                                 32   49   32   59   parsed_5mf8   1   
        33   "peak   177"                                 33   49   33   59   parsed_5mf8   1   
        34   "peak   194"                                 34   49   34   59   parsed_5mf8   1   
        35   "peak   195"                                 35   49   35   59   parsed_5mf8   1   
        36   "peak    34"                                 36   49   36   59   parsed_5mf8   1   
        37   "peak    42"                                 37   49   37   59   parsed_5mf8   1   
        38   "peak    47"                                 38   49   38   59   parsed_5mf8   1   
        39   "peak    59"                                 39   49   39   59   parsed_5mf8   1   
        40   "peak    61"                                 40   49   40   59   parsed_5mf8   1   
        41   "peak    78"                                 41   49   41   59   parsed_5mf8   1   
        42   "peak    79"                                 42   49   42   59   parsed_5mf8   1   
        43   "peak   100"                                 43   49   43   59   parsed_5mf8   1   
        44   "peak   104"                                 44   49   44   59   parsed_5mf8   1   
        45   "peak   181"                                 45   49   45   59   parsed_5mf8   1   
        46   "peak   182"                                 46   49   46   59   parsed_5mf8   1   
        47   "peak   185"                                 47   49   47   59   parsed_5mf8   1   
        48   "peak   186"                                 48   49   48   59   parsed_5mf8   1   
        49   "peak   191"                                 49   49   49   59   parsed_5mf8   1   
        50   "peak   193"                                 50   49   50   59   parsed_5mf8   1   
        51   "peak   201"                                 51   49   51   59   parsed_5mf8   1   
        52   "peak   202"                                 52   49   52   59   parsed_5mf8   1   
        53   "peak   211"                                 53   49   53   59   parsed_5mf8   1   
        54   "peak   263"                                 54   49   54   59   parsed_5mf8   1   
        55   "peak   277"                                 55   49   55   59   parsed_5mf8   1   
        56   "peak     7"                                 56   49   56   59   parsed_5mf8   1   
        57   "peak    14"                                 57   49   57   59   parsed_5mf8   1   
        58   "peak    37"                                 58   49   58   59   parsed_5mf8   1   
        59   "peak    44"                                 59   49   59   59   parsed_5mf8   1   
        60   "peak    58"                                 60   49   60   59   parsed_5mf8   1   
        61   "peak   199"                                 61   49   61   59   parsed_5mf8   1   
        62   "peak   112"                                 62   49   62   59   parsed_5mf8   1   
        63   "peak    66"                                 63   49   63   59   parsed_5mf8   1   
        64   "peak   179"                                 64   49   64   59   parsed_5mf8   1   
        65   "peak   176"                                 65   49   65   59   parsed_5mf8   1   
        66   "peak   107"                                 66   49   66   59   parsed_5mf8   1   
        67   "peak    75"                                 67   49   67   59   parsed_5mf8   1   
        68   "peak    78"                                 68   49   68   59   parsed_5mf8   1   
        69   "peak    89"                                 69   49   69   59   parsed_5mf8   1   
        70   "peak    80"                                 70   49   70   59   parsed_5mf8   1   
        71   "peak    95"                                 71   49   71   59   parsed_5mf8   1   
        72   "peak    96"                                 72   49   72   59   parsed_5mf8   1   
        73   "peak    94"                                 73   49   73   59   parsed_5mf8   1   
        74   "peak    98"                                 74   49   74   59   parsed_5mf8   1   
        75   "peak   104"                                 75   49   75   59   parsed_5mf8   1   
        76   "peak   210"                                 76   49   76   59   parsed_5mf8   1   
        77   "peak   279"                                 77   49   77   59   parsed_5mf8   1   
        78   "peak   192"                                 78   49   78   59   parsed_5mf8   1   
        79   "peak   195"                                 79   49   79   59   parsed_5mf8   1   
        80   "peak   213"                                 80   49   80   59   parsed_5mf8   1   
        81   "peak   189"                                 81   49   81   59   parsed_5mf8   1   
        82   "peak   190"                                 82   49   82   59   parsed_5mf8   1   
        83   "peak   141"                                 83   49   83   59   parsed_5mf8   1   
        84   "peak    21"                                 84   49   84   59   parsed_5mf8   1   
        85   "peak    20"                                 85   49   85   59   parsed_5mf8   1   
        86   "peak    31"                                 86   49   86   59   parsed_5mf8   1   
    stop_

save_





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