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
606779 2ndm 26065 cing 2-parsed STAR distance NOE simple 91


data_2ndm_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ndm 
    _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_2ndm   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ndm 
    _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   2ndm   "Master copy"    parsed_2ndm   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ndm 
    _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   2ndm.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2ndm   1   
        1   2ndm.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"    23   parsed_2ndm   1   
        1   2ndm.mr   .   .    DYANA/DIANA   3    distance                 "hydrogen bond"      simple              2   parsed_2ndm   1   
        1   2ndm.mr   .   .    DYANA/DIANA   4    distance                  NOE                 simple             91   parsed_2ndm   1   
        1   2ndm.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2ndm   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2ndm 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _Distance_constraint_list.Details            "Generated by Wattos" 

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

         1   1   .   .   .   parsed_2ndm   1   
         2   1   .   .   .   parsed_2ndm   1   
         3   1   .   .   .   parsed_2ndm   1   
         4   1   .   .   .   parsed_2ndm   1   
         5   1   .   .   .   parsed_2ndm   1   
         6   1   .   .   .   parsed_2ndm   1   
         7   1   .   .   .   parsed_2ndm   1   
         8   1   .   .   .   parsed_2ndm   1   
         9   1   .   .   .   parsed_2ndm   1   
        10   1   .   .   .   parsed_2ndm   1   
        11   1   .   .   .   parsed_2ndm   1   
        12   1   .   .   .   parsed_2ndm   1   
        13   1   .   .   .   parsed_2ndm   1   
        14   1   .   .   .   parsed_2ndm   1   
        15   1   .   .   .   parsed_2ndm   1   
        16   1   .   .   .   parsed_2ndm   1   
        17   1   .   .   .   parsed_2ndm   1   
        18   1   .   .   .   parsed_2ndm   1   
        19   1   .   .   .   parsed_2ndm   1   
        20   1   .   .   .   parsed_2ndm   1   
        21   1   .   .   .   parsed_2ndm   1   
        22   1   .   .   .   parsed_2ndm   1   
        23   1   .   .   .   parsed_2ndm   1   
        24   1   .   .   .   parsed_2ndm   1   
        25   1   .   .   .   parsed_2ndm   1   
        26   1   .   .   .   parsed_2ndm   1   
        27   1   .   .   .   parsed_2ndm   1   
        28   1   .   .   .   parsed_2ndm   1   
        29   1   .   .   .   parsed_2ndm   1   
        30   1   .   .   .   parsed_2ndm   1   
        31   1   .   .   .   parsed_2ndm   1   
        32   1   .   .   .   parsed_2ndm   1   
        33   1   .   .   .   parsed_2ndm   1   
        34   1   .   .   .   parsed_2ndm   1   
        35   1   .   .   .   parsed_2ndm   1   
        36   1   .   .   .   parsed_2ndm   1   
        37   1   .   .   .   parsed_2ndm   1   
        38   1   .   .   .   parsed_2ndm   1   
        39   1   .   .   .   parsed_2ndm   1   
        40   1   .   .   .   parsed_2ndm   1   
        41   1   .   .   .   parsed_2ndm   1   
        42   1   .   .   .   parsed_2ndm   1   
        43   1   .   .   .   parsed_2ndm   1   
        44   1   .   .   .   parsed_2ndm   1   
        45   1   .   .   .   parsed_2ndm   1   
        46   1   .   .   .   parsed_2ndm   1   
        47   1   .   .   .   parsed_2ndm   1   
        48   1   .   .   .   parsed_2ndm   1   
        49   1   .   .   .   parsed_2ndm   1   
        50   1   .   .   .   parsed_2ndm   1   
        51   1   .   .   .   parsed_2ndm   1   
        52   1   .   .   .   parsed_2ndm   1   
        53   1   .   .   .   parsed_2ndm   1   
        54   1   .   .   .   parsed_2ndm   1   
        55   1   .   .   .   parsed_2ndm   1   
        56   1   .   .   .   parsed_2ndm   1   
        57   1   .   .   .   parsed_2ndm   1   
        58   1   .   .   .   parsed_2ndm   1   
        59   1   .   .   .   parsed_2ndm   1   
        60   1   .   .   .   parsed_2ndm   1   
        61   1   .   .   .   parsed_2ndm   1   
        62   1   .   .   .   parsed_2ndm   1   
        63   1   .   .   .   parsed_2ndm   1   
        64   1   .   .   .   parsed_2ndm   1   
        65   1   .   .   .   parsed_2ndm   1   
        66   1   .   .   .   parsed_2ndm   1   
        67   1   .   .   .   parsed_2ndm   1   
        68   1   .   .   .   parsed_2ndm   1   
        69   1   .   .   .   parsed_2ndm   1   
        70   1   .   .   .   parsed_2ndm   1   
        71   1   .   .   .   parsed_2ndm   1   
        72   1   .   .   .   parsed_2ndm   1   
        73   1   .   .   .   parsed_2ndm   1   
        74   1   .   .   .   parsed_2ndm   1   
        75   1   .   .   .   parsed_2ndm   1   
        76   1   .   .   .   parsed_2ndm   1   
        77   1   .   .   .   parsed_2ndm   1   
        78   1   .   .   .   parsed_2ndm   1   
        79   1   .   .   .   parsed_2ndm   1   
        80   1   .   .   .   parsed_2ndm   1   
        81   1   .   .   .   parsed_2ndm   1   
        82   1   .   .   .   parsed_2ndm   1   
        83   1   .   .   .   parsed_2ndm   1   
        84   1   .   .   .   parsed_2ndm   1   
        85   1   .   .   .   parsed_2ndm   1   
        86   1   .   .   .   parsed_2ndm   1   
        87   1   .   .   .   parsed_2ndm   1   
        88   1   .   .   .   parsed_2ndm   1   
        89   1   .   .   .   parsed_2ndm   1   
        90   1   .   .   .   parsed_2ndm   1   
        91   1   .   .   .   parsed_2ndm   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   .   .   .   .   .   .   .   .   .    2   ARG    H     parsed_2ndm   1   
         1   1   2   .   .   .   .   .   .   .   .   .    2   ARG    HG3   parsed_2ndm   1   
         2   1   1   .   .   .   .   .   .   .   .   .    2   ARG    H     parsed_2ndm   1   
         2   1   2   .   .   .   .   .   .   .   .   .    2   ARG    HG2   parsed_2ndm   1   
         3   1   1   .   .   .   .   .   .   .   .   .    3   PRO    HA    parsed_2ndm   1   
         3   1   2   .   .   .   .   .   .   .   .   .    4   CYSS   H     parsed_2ndm   1   
         4   1   1   .   .   .   .   .   .   .   .   .    4   CYSS   H     parsed_2ndm   1   
         4   1   2   .   .   .   .   .   .   .   .   .    4   CYSS   HB3   parsed_2ndm   1   
         5   1   1   .   .   .   .   .   .   .   .   .    4   CYSS   H     parsed_2ndm   1   
         5   1   2   .   .   .   .   .   .   .   .   .    4   CYSS   HB2   parsed_2ndm   1   
         6   1   1   .   .   .   .   .   .   .   .   .    4   CYSS   HA    parsed_2ndm   1   
         6   1   2   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
         7   1   1   .   .   .   .   .   .   .   .   .    4   CYSS   HB2   parsed_2ndm   1   
         7   1   2   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
         8   1   1   .   .   .   .   .   .   .   .   .    4   CYSS   HB3   parsed_2ndm   1   
         8   1   2   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
         9   1   1   .   .   .   .   .   .   .   .   .    5   TYR    HA    parsed_2ndm   1   
         9   1   2   .   .   .   .   .   .   .   .   .    5   TYR    QD    parsed_2ndm   1   
        10   1   1   .   .   .   .   .   .   .   .   .    6   THR    H     parsed_2ndm   1   
        10   1   2   .   .   .   .   .   .   .   .   .    6   THR    QG2   parsed_2ndm   1   
        11   1   1   .   .   .   .   .   .   .   .   .    6   THR    HA    parsed_2ndm   1   
        11   1   2   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        12   1   1   .   .   .   .   .   .   .   .   .    6   THR    HB    parsed_2ndm   1   
        12   1   2   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        13   1   1   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        13   1   2   .   .   .   .   .   .   .   .   .    7   LEU    HB3   parsed_2ndm   1   
        14   1   1   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        14   1   2   .   .   .   .   .   .   .   .   .    7   LEU    HB2   parsed_2ndm   1   
        15   1   1   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        15   1   2   .   .   .   .   .   .   .   .   .    7   LEU    QD2   parsed_2ndm   1   
        16   1   1   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        16   1   2   .   .   .   .   .   .   .   .   .    7   LEU    QD1   parsed_2ndm   1   
        17   1   1   .   .   .   .   .   .   .   .   .    8   GLN    H     parsed_2ndm   1   
        17   1   2   .   .   .   .   .   .   .   .   .    8   GLN    QG    parsed_2ndm   1   
        18   1   1   .   .   .   .   .   .   .   .   .    7   LEU    HB3   parsed_2ndm   1   
        18   1   2   .   .   .   .   .   .   .   .   .    8   GLN    H     parsed_2ndm   1   
        19   1   1   .   .   .   .   .   .   .   .   .    7   LEU    HB2   parsed_2ndm   1   
        19   1   2   .   .   .   .   .   .   .   .   .    8   GLN    H     parsed_2ndm   1   
        20   1   1   .   .   .   .   .   .   .   .   .    6   THR    QG2   parsed_2ndm   1   
        20   1   2   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        21   1   1   .   .   .   .   .   .   .   .   .    6   THR    QG2   parsed_2ndm   1   
        21   1   2   .   .   .   .   .   .   .   .   .    8   GLN    H     parsed_2ndm   1   
        22   1   1   .   .   .   .   .   .   .   .   .    9   SER    H     parsed_2ndm   1   
        22   1   2   .   .   .   .   .   .   .   .   .    9   SER    QB    parsed_2ndm   1   
        23   1   1   .   .   .   .   .   .   .   .   .    8   GLN    QG    parsed_2ndm   1   
        23   1   2   .   .   .   .   .   .   .   .   .    9   SER    H     parsed_2ndm   1   
        24   1   1   .   .   .   .   .   .   .   .   .    8   GLN    HB3   parsed_2ndm   1   
        24   1   2   .   .   .   .   .   .   .   .   .    9   SER    H     parsed_2ndm   1   
        25   1   1   .   .   .   .   .   .   .   .   .    8   GLN    HB2   parsed_2ndm   1   
        25   1   2   .   .   .   .   .   .   .   .   .    9   SER    H     parsed_2ndm   1   
        26   1   1   .   .   .   .   .   .   .   .   .    6   THR    QG2   parsed_2ndm   1   
        26   1   2   .   .   .   .   .   .   .   .   .    9   SER    H     parsed_2ndm   1   
        27   1   1   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        27   1   2   .   .   .   .   .   .   .   .   .    8   GLN    QG    parsed_2ndm   1   
        28   1   1   .   .   .   .   .   .   .   .   .    9   SER    HA    parsed_2ndm   1   
        28   1   2   .   .   .   .   .   .   .   .   .   10   CYSS   H     parsed_2ndm   1   
        29   1   1   .   .   .   .   .   .   .   .   .   10   CYSS   H     parsed_2ndm   1   
        29   1   2   .   .   .   .   .   .   .   .   .   10   CYSS   HB2   parsed_2ndm   1   
        30   1   1   .   .   .   .   .   .   .   .   .   10   CYSS   H     parsed_2ndm   1   
        30   1   2   .   .   .   .   .   .   .   .   .   10   CYSS   HB3   parsed_2ndm   1   
        31   1   1   .   .   .   .   .   .   .   .   .    9   SER    QB    parsed_2ndm   1   
        31   1   2   .   .   .   .   .   .   .   .   .   10   CYSS   H     parsed_2ndm   1   
        32   1   1   .   .   .   .   .   .   .   .   .   10   CYSS   HA    parsed_2ndm   1   
        32   1   2   .   .   .   .   .   .   .   .   .   11   PHE    H     parsed_2ndm   1   
        33   1   1   .   .   .   .   .   .   .   .   .   11   PHE    H     parsed_2ndm   1   
        33   1   2   .   .   .   .   .   .   .   .   .   11   PHE    HB2   parsed_2ndm   1   
        34   1   1   .   .   .   .   .   .   .   .   .   11   PHE    H     parsed_2ndm   1   
        34   1   2   .   .   .   .   .   .   .   .   .   11   PHE    HB3   parsed_2ndm   1   
        35   1   1   .   .   .   .   .   .   .   .   .    2   ARG    HA    parsed_2ndm   1   
        35   1   2   .   .   .   .   .   .   .   .   .    3   PRO    HD2   parsed_2ndm   1   
        36   1   1   .   .   .   .   .   .   .   .   .    2   ARG    HA    parsed_2ndm   1   
        36   1   2   .   .   .   .   .   .   .   .   .    3   PRO    HD3   parsed_2ndm   1   
        37   1   1   .   .   .   .   .   .   .   .   .    2   ARG    QB    parsed_2ndm   1   
        37   1   2   .   .   .   .   .   .   .   .   .    3   PRO    HA    parsed_2ndm   1   
        38   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2ndm   1   
        38   1   2   .   .   .   .   .   .   .   .   .   12   PRO    HD2   parsed_2ndm   1   
        39   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2ndm   1   
        39   1   2   .   .   .   .   .   .   .   .   .   12   PRO    HD3   parsed_2ndm   1   
        40   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2ndm   1   
        40   1   2   .   .   .   .   .   .   .   .   .   12   PRO    HG3   parsed_2ndm   1   
        41   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2ndm   1   
        41   1   2   .   .   .   .   .   .   .   .   .   12   PRO    HG2   parsed_2ndm   1   
        42   1   1   .   .   .   .   .   .   .   .   .   12   PRO    HA    parsed_2ndm   1   
        42   1   2   .   .   .   .   .   .   .   .   .   13   ASP    H     parsed_2ndm   1   
        43   1   1   .   .   .   .   .   .   .   .   .   13   ASP    H     parsed_2ndm   1   
        43   1   2   .   .   .   .   .   .   .   .   .   13   ASP    HB2   parsed_2ndm   1   
        44   1   1   .   .   .   .   .   .   .   .   .   13   ASP    H     parsed_2ndm   1   
        44   1   2   .   .   .   .   .   .   .   .   .   13   ASP    HB3   parsed_2ndm   1   
        45   1   1   .   .   .   .   .   .   .   .   .   12   PRO    HG2   parsed_2ndm   1   
        45   1   2   .   .   .   .   .   .   .   .   .   13   ASP    H     parsed_2ndm   1   
        46   1   1   .   .   .   .   .   .   .   .   .   12   PRO    HG3   parsed_2ndm   1   
        46   1   2   .   .   .   .   .   .   .   .   .   13   ASP    H     parsed_2ndm   1   
        47   1   1   .   .   .   .   .   .   .   .   .    2   ARG    H     parsed_2ndm   1   
        47   1   2   .   .   .   .   .   .   .   .   .   13   ASP    H     parsed_2ndm   1   
        48   1   1   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
        48   1   2   .   .   .   .   .   .   .   .   .    5   TYR    QD    parsed_2ndm   1   
        49   1   1   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
        49   1   2   .   .   .   .   .   .   .   .   .    5   TYR    QE    parsed_2ndm   1   
        50   1   1   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
        50   1   2   .   .   .   .   .   .   .   .   .    6   THR    H     parsed_2ndm   1   
        51   1   1   .   .   .   .   .   .   .   .   .   11   PHE    H     parsed_2ndm   1   
        51   1   2   .   .   .   .   .   .   .   .   .   11   PHE    QD    parsed_2ndm   1   
        52   1   1   .   .   .   .   .   .   .   .   .   10   CYSS   H     parsed_2ndm   1   
        52   1   2   .   .   .   .   .   .   .   .   .   11   PHE    H     parsed_2ndm   1   
        53   1   1   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        53   1   2   .   .   .   .   .   .   .   .   .    8   GLN    H     parsed_2ndm   1   
        54   1   1   .   .   .   .   .   .   .   .   .    4   CYSS   H     parsed_2ndm   1   
        54   1   2   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
        55   1   1   .   .   .   .   .   .   .   .   .    9   SER    H     parsed_2ndm   1   
        55   1   2   .   .   .   .   .   .   .   .   .   10   CYSS   H     parsed_2ndm   1   
        56   1   1   .   .   .   .   .   .   .   .   .    6   THR    H     parsed_2ndm   1   
        56   1   2   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        57   1   1   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
        57   1   2   .   .   .   .   .   .   .   .   .    6   THR    QG2   parsed_2ndm   1   
        58   1   1   .   .   .   .   .   .   .   .   .    6   THR    HA    parsed_2ndm   1   
        58   1   2   .   .   .   .   .   .   .   .   .    6   THR    HB    parsed_2ndm   1   
        59   1   1   .   .   .   .   .   .   .   .   .    5   TYR    QD    parsed_2ndm   1   
        59   1   2   .   .   .   .   .   .   .   .   .    6   THR    QG2   parsed_2ndm   1   
        60   1   1   .   .   .   .   .   .   .   .   .    6   THR    HA    parsed_2ndm   1   
        60   1   2   .   .   .   .   .   .   .   .   .    6   THR    QG2   parsed_2ndm   1   
        61   1   1   .   .   .   .   .   .   .   .   .    8   GLN    HA    parsed_2ndm   1   
        61   1   2   .   .   .   .   .   .   .   .   .    8   GLN    QG    parsed_2ndm   1   
        62   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2ndm   1   
        62   1   2   .   .   .   .   .   .   .   .   .   11   PHE    QD    parsed_2ndm   1   
        63   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2ndm   1   
        63   1   2   .   .   .   .   .   .   .   .   .   11   PHE    QE    parsed_2ndm   1   
        64   1   1   .   .   .   .   .   .   .   .   .    1   GLY    QA    parsed_2ndm   1   
        64   1   2   .   .   .   .   .   .   .   .   .   13   ASP    H     parsed_2ndm   1   
        65   1   1   .   .   .   .   .   .   .   .   .    2   ARG    H     parsed_2ndm   1   
        65   1   2   .   .   .   .   .   .   .   .   .    2   ARG    QG    parsed_2ndm   1   
        66   1   1   .   .   .   .   .   .   .   .   .    2   ARG    H     parsed_2ndm   1   
        66   1   2   .   .   .   .   .   .   .   .   .    2   ARG    QD    parsed_2ndm   1   
        67   1   1   .   .   .   .   .   .   .   .   .    2   ARG    HA    parsed_2ndm   1   
        67   1   2   .   .   .   .   .   .   .   .   .    2   ARG    QD    parsed_2ndm   1   
        68   1   1   .   .   .   .   .   .   .   .   .    2   ARG    HA    parsed_2ndm   1   
        68   1   2   .   .   .   .   .   .   .   .   .    3   PRO    QD    parsed_2ndm   1   
        69   1   1   .   .   .   .   .   .   .   .   .    2   ARG    QB    parsed_2ndm   1   
        69   1   2   .   .   .   .   .   .   .   .   .    2   ARG    QD    parsed_2ndm   1   
        70   1   1   .   .   .   .   .   .   .   .   .    2   ARG    QB    parsed_2ndm   1   
        70   1   2   .   .   .   .   .   .   .   .   .    3   PRO    QD    parsed_2ndm   1   
        71   1   1   .   .   .   .   .   .   .   .   .    3   PRO    QB    parsed_2ndm   1   
        71   1   2   .   .   .   .   .   .   .   .   .    5   TYR    QD    parsed_2ndm   1   
        72   1   1   .   .   .   .   .   .   .   .   .    3   PRO    QG    parsed_2ndm   1   
        72   1   2   .   .   .   .   .   .   .   .   .    4   CYSS   H     parsed_2ndm   1   
        73   1   1   .   .   .   .   .   .   .   .   .    3   PRO    QG    parsed_2ndm   1   
        73   1   2   .   .   .   .   .   .   .   .   .    5   TYR    QD    parsed_2ndm   1   
        74   1   1   .   .   .   .   .   .   .   .   .    4   CYSS   QB    parsed_2ndm   1   
        74   1   2   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
        75   1   1   .   .   .   .   .   .   .   .   .    5   TYR    H     parsed_2ndm   1   
        75   1   2   .   .   .   .   .   .   .   .   .    5   TYR    QB    parsed_2ndm   1   
        76   1   1   .   .   .   .   .   .   .   .   .    5   TYR    QB    parsed_2ndm   1   
        76   1   2   .   .   .   .   .   .   .   .   .    6   THR    H     parsed_2ndm   1   
        77   1   1   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        77   1   2   .   .   .   .   .   .   .   .   .    7   LEU    QQD   parsed_2ndm   1   
        78   1   1   .   .   .   .   .   .   .   .   .    7   LEU    H     parsed_2ndm   1   
        78   1   2   .   .   .   .   .   .   .   .   .    8   GLN    QB    parsed_2ndm   1   
        79   1   1   .   .   .   .   .   .   .   .   .    7   LEU    HA    parsed_2ndm   1   
        79   1   2   .   .   .   .   .   .   .   .   .    7   LEU    QQD   parsed_2ndm   1   
        80   1   1   .   .   .   .   .   .   .   .   .    7   LEU    QB    parsed_2ndm   1   
        80   1   2   .   .   .   .   .   .   .   .   .    8   GLN    H     parsed_2ndm   1   
        81   1   1   .   .   .   .   .   .   .   .   .    7   LEU    QB    parsed_2ndm   1   
        81   1   2   .   .   .   .   .   .   .   .   .    9   SER    H     parsed_2ndm   1   
        82   1   1   .   .   .   .   .   .   .   .   .    7   LEU    QQD   parsed_2ndm   1   
        82   1   2   .   .   .   .   .   .   .   .   .    8   GLN    H     parsed_2ndm   1   
        83   1   1   .   .   .   .   .   .   .   .   .    8   GLN    H     parsed_2ndm   1   
        83   1   2   .   .   .   .   .   .   .   .   .    8   GLN    QB    parsed_2ndm   1   
        84   1   1   .   .   .   .   .   .   .   .   .    8   GLN    QB    parsed_2ndm   1   
        84   1   2   .   .   .   .   .   .   .   .   .    9   SER    H     parsed_2ndm   1   
        85   1   1   .   .   .   .   .   .   .   .   .   10   CYSS   H     parsed_2ndm   1   
        85   1   2   .   .   .   .   .   .   .   .   .   10   CYSS   QB    parsed_2ndm   1   
        86   1   1   .   .   .   .   .   .   .   .   .   10   CYSS   QB    parsed_2ndm   1   
        86   1   2   .   .   .   .   .   .   .   .   .   11   PHE    H     parsed_2ndm   1   
        87   1   1   .   .   .   .   .   .   .   .   .   11   PHE    H     parsed_2ndm   1   
        87   1   2   .   .   .   .   .   .   .   .   .   11   PHE    QB    parsed_2ndm   1   
        88   1   1   .   .   .   .   .   .   .   .   .   11   PHE    H     parsed_2ndm   1   
        88   1   2   .   .   .   .   .   .   .   .   .   12   PRO    QD    parsed_2ndm   1   
        89   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2ndm   1   
        89   1   2   .   .   .   .   .   .   .   .   .   12   PRO    QG    parsed_2ndm   1   
        90   1   1   .   .   .   .   .   .   .   .   .   11   PHE    HA    parsed_2ndm   1   
        90   1   2   .   .   .   .   .   .   .   .   .   12   PRO    QD    parsed_2ndm   1   
        91   1   1   .   .   .   .   .   .   .   .   .   12   PRO    QG    parsed_2ndm   1   
        91   1   2   .   .   .   .   .   .   .   .   .   13   ASP    H     parsed_2ndm   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   .   .   .   .   .   .   .   3.88   parsed_2ndm   1   
         2   1   .   .   .   .   .   .   .   3.88   parsed_2ndm   1   
         3   1   .   .   .   .   .   .   .   3.16   parsed_2ndm   1   
         4   1   .   .   .   .   .   .   .   4.05   parsed_2ndm   1   
         5   1   .   .   .   .   .   .   .   4.05   parsed_2ndm   1   
         6   1   .   .   .   .   .   .   .   3.15   parsed_2ndm   1   
         7   1   .   .   .   .   .   .   .   4.84   parsed_2ndm   1   
         8   1   .   .   .   .   .   .   .   4.84   parsed_2ndm   1   
         9   1   .   .   .   .   .   .   .   3.63   parsed_2ndm   1   
        10   1   .   .   .   .   .   .   .   4.16   parsed_2ndm   1   
        11   1   .   .   .   .   .   .   .   3.32   parsed_2ndm   1   
        12   1   .   .   .   .   .   .   .   3.82   parsed_2ndm   1   
        13   1   .   .   .   .   .   .   .   3.80   parsed_2ndm   1   
        14   1   .   .   .   .   .   .   .   3.80   parsed_2ndm   1   
        15   1   .   .   .   .   .   .   .   5.38   parsed_2ndm   1   
        16   1   .   .   .   .   .   .   .   5.38   parsed_2ndm   1   
        17   1   .   .   .   .   .   .   .   4.28   parsed_2ndm   1   
        18   1   .   .   .   .   .   .   .   4.70   parsed_2ndm   1   
        19   1   .   .   .   .   .   .   .   4.70   parsed_2ndm   1   
        20   1   .   .   .   .   .   .   .   4.80   parsed_2ndm   1   
        21   1   .   .   .   .   .   .   .   5.29   parsed_2ndm   1   
        22   1   .   .   .   .   .   .   .   3.77   parsed_2ndm   1   
        23   1   .   .   .   .   .   .   .   5.03   parsed_2ndm   1   
        24   1   .   .   .   .   .   .   .   4.44   parsed_2ndm   1   
        25   1   .   .   .   .   .   .   .   4.44   parsed_2ndm   1   
        26   1   .   .   .   .   .   .   .   5.50   parsed_2ndm   1   
        27   1   .   .   .   .   .   .   .   5.50   parsed_2ndm   1   
        28   1   .   .   .   .   .   .   .   3.46   parsed_2ndm   1   
        29   1   .   .   .   .   .   .   .   4.20   parsed_2ndm   1   
        30   1   .   .   .   .   .   .   .   4.20   parsed_2ndm   1   
        31   1   .   .   .   .   .   .   .   4.63   parsed_2ndm   1   
        32   1   .   .   .   .   .   .   .   3.03   parsed_2ndm   1   
        33   1   .   .   .   .   .   .   .   3.77   parsed_2ndm   1   
        34   1   .   .   .   .   .   .   .   3.77   parsed_2ndm   1   
        35   1   .   .   .   .   .   .   .   3.75   parsed_2ndm   1   
        36   1   .   .   .   .   .   .   .   3.75   parsed_2ndm   1   
        37   1   .   .   .   .   .   .   .   4.98   parsed_2ndm   1   
        38   1   .   .   .   .   .   .   .   3.50   parsed_2ndm   1   
        39   1   .   .   .   .   .   .   .   3.50   parsed_2ndm   1   
        40   1   .   .   .   .   .   .   .   5.20   parsed_2ndm   1   
        41   1   .   .   .   .   .   .   .   5.20   parsed_2ndm   1   
        42   1   .   .   .   .   .   .   .   3.46   parsed_2ndm   1   
        43   1   .   .   .   .   .   .   .   4.12   parsed_2ndm   1   
        44   1   .   .   .   .   .   .   .   4.12   parsed_2ndm   1   
        45   1   .   .   .   .   .   .   .   5.50   parsed_2ndm   1   
        46   1   .   .   .   .   .   .   .   5.50   parsed_2ndm   1   
        47   1   .   .   .   .   .   .   .   3.62   parsed_2ndm   1   
        48   1   .   .   .   .   .   .   .   4.41   parsed_2ndm   1   
        49   1   .   .   .   .   .   .   .   4.94   parsed_2ndm   1   
        50   1   .   .   .   .   .   .   .   5.23   parsed_2ndm   1   
        51   1   .   .   .   .   .   .   .   4.84   parsed_2ndm   1   
        52   1   .   .   .   .   .   .   .   5.39   parsed_2ndm   1   
        53   1   .   .   .   .   .   .   .   4.00   parsed_2ndm   1   
        54   1   .   .   .   .   .   .   .   4.95   parsed_2ndm   1   
        55   1   .   .   .   .   .   .   .   4.73   parsed_2ndm   1   
        56   1   .   .   .   .   .   .   .   4.75   parsed_2ndm   1   
        57   1   .   .   .   .   .   .   .   5.50   parsed_2ndm   1   
        58   1   .   .   .   .   .   .   .   2.82   parsed_2ndm   1   
        59   1   .   .   .   .   .   .   .   5.50   parsed_2ndm   1   
        60   1   .   .   .   .   .   .   .   3.64   parsed_2ndm   1   
        61   1   .   .   .   .   .   .   .   4.17   parsed_2ndm   1   
        62   1   .   .   .   .   .   .   .   3.92   parsed_2ndm   1   
        63   1   .   .   .   .   .   .   .   4.82   parsed_2ndm   1   
        64   1   .   .   .   .   .   .   .   4.66   parsed_2ndm   1   
        65   1   .   .   .   .   .   .   .   3.32   parsed_2ndm   1   
        66   1   .   .   .   .   .   .   .   4.91   parsed_2ndm   1   
        67   1   .   .   .   .   .   .   .   5.34   parsed_2ndm   1   
        68   1   .   .   .   .   .   .   .   3.10   parsed_2ndm   1   
        69   1   .   .   .   .   .   .   .   3.63   parsed_2ndm   1   
        70   1   .   .   .   .   .   .   .   3.93   parsed_2ndm   1   
        71   1   .   .   .   .   .   .   .   5.34   parsed_2ndm   1   
        72   1   .   .   .   .   .   .   .   4.70   parsed_2ndm   1   
        73   1   .   .   .   .   .   .   .   5.35   parsed_2ndm   1   
        74   1   .   .   .   .   .   .   .   4.21   parsed_2ndm   1   
        75   1   .   .   .   .   .   .   .   3.48   parsed_2ndm   1   
        76   1   .   .   .   .   .   .   .   4.31   parsed_2ndm   1   
        77   1   .   .   .   .   .   .   .   4.57   parsed_2ndm   1   
        78   1   .   .   .   .   .   .   .   5.34   parsed_2ndm   1   
        79   1   .   .   .   .   .   .   .   3.55   parsed_2ndm   1   
        80   1   .   .   .   .   .   .   .   4.11   parsed_2ndm   1   
        81   1   .   .   .   .   .   .   .   5.21   parsed_2ndm   1   
        82   1   .   .   .   .   .   .   .   5.44   parsed_2ndm   1   
        83   1   .   .   .   .   .   .   .   3.55   parsed_2ndm   1   
        84   1   .   .   .   .   .   .   .   3.85   parsed_2ndm   1   
        85   1   .   .   .   .   .   .   .   3.55   parsed_2ndm   1   
        86   1   .   .   .   .   .   .   .   3.40   parsed_2ndm   1   
        87   1   .   .   .   .   .   .   .   3.13   parsed_2ndm   1   
        88   1   .   .   .   .   .   .   .   5.35   parsed_2ndm   1   
        89   1   .   .   .   .   .   .   .   4.58   parsed_2ndm   1   
        90   1   .   .   .   .   .   .   .   3.06   parsed_2ndm   1   
        91   1   .   .   .   .   .   .   .   4.75   parsed_2ndm   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

         1   "peak 9 #SUP 0.96 #QF 0.96"       1   49    1   74   parsed_2ndm   1   
         2   "peak 10 #SUP 0.99 #QF 0.99"      2   49    2   75   parsed_2ndm   1   
         3   "peak 11 #SUP 0.77 #QF 0.77"      3   49    3   75   parsed_2ndm   1   
         4   "peak 12 #SUP 0.97 #QF 0.97"      4   49    4   75   parsed_2ndm   1   
         5   "peak 13 #SUP 1.00"               5   49    5   66   parsed_2ndm   1   
         6   "peak 15 #SUP 0.70 #QF 0.70"      6   49    6   75   parsed_2ndm   1   
         7   "peak 17 #SUP 1.00"               7   49    7   66   parsed_2ndm   1   
         8   "peak 18 #SUP 1.00"               8   49    8   66   parsed_2ndm   1   
         9   "peak 25 #SUP 0.96 #QF 0.96"      9   49    9   75   parsed_2ndm   1   
        10   "peak 29 #SUP 1.00"              10   49   10   66   parsed_2ndm   1   
        11   "peak 30 #SUP 0.89 #QF 0.89"     11   49   11   75   parsed_2ndm   1   
        12   "peak 31 #SUP 0.90 #QF 0.90"     12   49   12   75   parsed_2ndm   1   
        13   "peak 33 #SUP 0.98 #QF 0.98"     13   49   13   75   parsed_2ndm   1   
        14   "peak 34 #SUP 0.99 #QF 0.99"     14   49   14   75   parsed_2ndm   1   
        15   "peak 35 #SUP 1.00"              15   49   15   66   parsed_2ndm   1   
        16   "peak 36 #SUP 1.00"              16   49   16   66   parsed_2ndm   1   
        17   "peak 39 #SUP 0.99 #QF 0.99"     17   49   17   75   parsed_2ndm   1   
        18   "peak 42 #SUP 1.00"              18   49   18   66   parsed_2ndm   1   
        19   "peak 43 #SUP 1.00"              19   49   19   66   parsed_2ndm   1   
        20   "peak 45 #SUP 1.00"              20   49   20   66   parsed_2ndm   1   
        21   "peak 46 #SUP 0.88 #QF 0.88"     21   49   21   75   parsed_2ndm   1   
        22   "peak 50 #SUP 1.00"              22   49   22   66   parsed_2ndm   1   
        23   "peak 51 #SUP 1.00"              23   49   23   66   parsed_2ndm   1   
        24   "peak 52 #SUP 0.95 #QF 0.95"     24   49   24   75   parsed_2ndm   1   
        25   "peak 53 #SUP 1.00"              25   49   25   66   parsed_2ndm   1   
        26   "peak 56 #SUP 0.63 #QF 0.63"     26   49   26   75   parsed_2ndm   1   
        27   "peak 59 #SUP 0.95 #QF 0.95"     27   49   27   75   parsed_2ndm   1   
        28   "peak 60 #SUP 0.91 #QF 0.91"     28   49   28   75   parsed_2ndm   1   
        29   "peak 62 #SUP 1.00"              29   49   29   66   parsed_2ndm   1   
        30   "peak 63 #SUP 0.95 #QF 0.95"     30   49   30   75   parsed_2ndm   1   
        31   "peak 64 #SUP 1.00"              31   49   31   66   parsed_2ndm   1   
        32   "peak 65 #SUP 0.84 #QF 0.84"     32   49   32   75   parsed_2ndm   1   
        33   "peak 66 #SUP 0.98 #QF 0.98"     33   49   33   75   parsed_2ndm   1   
        34   "peak 67 #SUP 0.84 #QF 0.84"     34   49   34   75   parsed_2ndm   1   
        35   "peak 70 #SUP 1.00"              35   49   35   66   parsed_2ndm   1   
        36   "peak 71 #SUP 0.99 #QF 0.99"     36   49   36   75   parsed_2ndm   1   
        37   "peak 74 #SUP 1.00 #QF 0.20"     37   49   37   75   parsed_2ndm   1   
        38   "peak 85 #SUP 0.78 #QF 0.78"     38   49   38   75   parsed_2ndm   1   
        39   "peak 86 #SUP 0.77 #QF 0.77"     39   49   39   75   parsed_2ndm   1   
        40   "peak 89 #SUP 1.00 #QF 0.78"     40   49   40   75   parsed_2ndm   1   
        41   "peak 95 #SUP 1.00 #QF 0.69"     41   49   41   75   parsed_2ndm   1   
        42   "peak 111 #SUP 0.95 #QF 0.95"    42   49   42   76   parsed_2ndm   1   
        43   "peak 113 #SUP 0.96 #QF 0.96"    43   49   43   76   parsed_2ndm   1   
        44   "peak 114 #SUP 1.00"             44   49   44   67   parsed_2ndm   1   
        45   "peak 116 #SUP 0.89 #QF 0.89"    45   49   45   76   parsed_2ndm   1   
        46   "peak 118 #SUP 0.96 #QF 0.96"    46   49   46   76   parsed_2ndm   1   
        47   "peak 120 #SUP 0.95 #QF 0.95"    47   49   47   76   parsed_2ndm   1   
        48   "peak 121 #SUP 0.88 #QF 0.88"    48   49   48   76   parsed_2ndm   1   
        49   "peak 122 #SUP 0.99 #QF 0.49"    49   49   49   76   parsed_2ndm   1   
        50   "peak 122 #SUP 0.99 #QF 0.49"    50   49   50   76   parsed_2ndm   1   
        51   "peak 123 #SUP 0.96 #QF 0.96"    51   49   51   76   parsed_2ndm   1   
        52   "peak 124 #SUP 0.94 #QF 0.94"    52   49   52   76   parsed_2ndm   1   
        53   "peak 125 #SUP 0.98 #QF 0.98"    53   49   53   76   parsed_2ndm   1   
        54   "peak 127 #SUP 0.99 #QF 0.99"    54   49   54   76   parsed_2ndm   1   
        55   "peak 131 #SUP 1.00"             55   49   55   67   parsed_2ndm   1   
        56   "peak 135 #SUP 0.97 #QF 0.97"    56   49   56   76   parsed_2ndm   1   
        57   "peak 163 #SUP 0.71 #QF 0.71"    57   49   57   76   parsed_2ndm   1   
        58   "peak 167 #SUP 0.87 #QF 0.87"    58   49   58   76   parsed_2ndm   1   
        59   "peak 168 #SUP 0.62 #QF 0.62"    59   49   59   76   parsed_2ndm   1   
        60   "peak 175 #SUP 1.00"             60   49   60   67   parsed_2ndm   1   
        61   "peak 186 #SUP 1.00"             61   49   61   67   parsed_2ndm   1   
        62   "peak 209 #SUP 0.73 #QF 0.73"    62   49   62   76   parsed_2ndm   1   
        63   "peak 210 #SUP 0.49 #QF 0.49"    63   49   63   76   parsed_2ndm   1   
        64   "peak 3"                         64   49   64   55   parsed_2ndm   1   
        65   "peak 9"                         65   49   65   55   parsed_2ndm   1   
        66   "peak 138"                       66   49   66   57   parsed_2ndm   1   
        67   "peak 140"                       67   49   67   57   parsed_2ndm   1   
        68   "peak 70"                        68   49   68   56   parsed_2ndm   1   
        69   "peak 144"                       69   49   69   57   parsed_2ndm   1   
        70   "peak 77"                        70   49   70   56   parsed_2ndm   1   
        71   "peak 173"                       71   49   71   57   parsed_2ndm   1   
        72   "peak 157"                       72   49   72   57   parsed_2ndm   1   
        73   "peak 172"                       73   49   73   57   parsed_2ndm   1   
        74   "peak 17"                        74   49   74   56   parsed_2ndm   1   
        75   "peak 19"                        75   49   75   56   parsed_2ndm   1   
        76   "peak 24"                        76   49   76   56   parsed_2ndm   1   
        77   "peak 35"                        77   49   77   56   parsed_2ndm   1   
        78   "peak 57"                        78   49   78   56   parsed_2ndm   1   
        79   "peak 179"                       79   49   79   57   parsed_2ndm   1   
        80   "peak 43"                        80   49   80   56   parsed_2ndm   1   
        81   "peak 55"                        81   49   81   56   parsed_2ndm   1   
        82   "peak 44"                        82   49   82   56   parsed_2ndm   1   
        83   "peak 41"                        83   49   83   56   parsed_2ndm   1   
        84   "peak 52"                        84   49   84   56   parsed_2ndm   1   
        85   "peak 63"                        85   49   85   56   parsed_2ndm   1   
        86   "peak 68"                        86   49   86   56   parsed_2ndm   1   
        87   "peak 67"                        87   49   87   56   parsed_2ndm   1   
        88   "peak 108"                       88   49   88   57   parsed_2ndm   1   
        89   "peak 95"                        89   49   89   56   parsed_2ndm   1   
        90   "peak 86"                        90   49   90   56   parsed_2ndm   1   
        91   "peak 118"                       91   49   91   57   parsed_2ndm   1   
    stop_

save_





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