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
40191 1ull cing 2-parsed STAR distance NOE simple 138


data_1ull_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ull 
    _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_1ull   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ull 
    _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   1ull   "Master copy"    parsed_1ull   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ull 
    _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   1ull.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1ull   1   
        1   1ull.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1ull   1   
        1   1ull.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple             391   parsed_1ull   1   
        1   1ull.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"      0   parsed_1ull   1   
        1   1ull.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple              62   parsed_1ull   1   
        1   1ull.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"      0   parsed_1ull   1   
        1   1ull.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple              75   parsed_1ull   1   
        1   1ull.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"      0   parsed_1ull   1   
        1   1ull.mr   .   .    XPLOR/CNS      9    distance                  NOE                 simple             138   parsed_1ull   1   
        1   1ull.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"      0   parsed_1ull   1   
        1   1ull.mr   .   .    XPLOR/CNS     11    distance                  NOE                 simple               0   parsed_1ull   1   
        1   1ull.mr   .   .   "MR format"    12   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1ull   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_9
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1ull 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            9 
    _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_1ull   1   
          2   1   .   .   .   parsed_1ull   1   
          3   1   .   .   .   parsed_1ull   1   
          4   1   .   .   .   parsed_1ull   1   
          5   1   .   .   .   parsed_1ull   1   
          6   1   .   .   .   parsed_1ull   1   
          7   1   .   .   .   parsed_1ull   1   
          8   1   .   .   .   parsed_1ull   1   
          9   1   .   .   .   parsed_1ull   1   
         10   1   .   .   .   parsed_1ull   1   
         11   1   .   .   .   parsed_1ull   1   
         12   1   .   .   .   parsed_1ull   1   
         13   1   .   .   .   parsed_1ull   1   
         14   1   .   .   .   parsed_1ull   1   
         15   1   .   .   .   parsed_1ull   1   
         16   1   .   .   .   parsed_1ull   1   
         17   1   .   .   .   parsed_1ull   1   
         18   1   .   .   .   parsed_1ull   1   
         19   1   .   .   .   parsed_1ull   1   
         20   1   .   .   .   parsed_1ull   1   
         21   1   .   .   .   parsed_1ull   1   
         22   1   .   .   .   parsed_1ull   1   
         23   1   .   .   .   parsed_1ull   1   
         24   1   .   .   .   parsed_1ull   1   
         25   1   .   .   .   parsed_1ull   1   
         26   1   .   .   .   parsed_1ull   1   
         27   1   .   .   .   parsed_1ull   1   
         28   1   .   .   .   parsed_1ull   1   
         29   1   .   .   .   parsed_1ull   1   
         30   1   .   .   .   parsed_1ull   1   
         31   1   .   .   .   parsed_1ull   1   
         32   1   .   .   .   parsed_1ull   1   
         33   1   .   .   .   parsed_1ull   1   
         34   1   .   .   .   parsed_1ull   1   
         35   1   .   .   .   parsed_1ull   1   
         36   1   .   .   .   parsed_1ull   1   
         37   1   .   .   .   parsed_1ull   1   
         38   1   .   .   .   parsed_1ull   1   
         39   1   .   .   .   parsed_1ull   1   
         40   1   .   .   .   parsed_1ull   1   
         41   1   .   .   .   parsed_1ull   1   
         42   1   .   .   .   parsed_1ull   1   
         43   1   .   .   .   parsed_1ull   1   
         44   1   .   .   .   parsed_1ull   1   
         45   1   .   .   .   parsed_1ull   1   
         46   1   .   .   .   parsed_1ull   1   
         47   1   .   .   .   parsed_1ull   1   
         48   1   .   .   .   parsed_1ull   1   
         49   1   .   .   .   parsed_1ull   1   
         50   1   .   .   .   parsed_1ull   1   
         51   1   .   .   .   parsed_1ull   1   
         52   1   .   .   .   parsed_1ull   1   
         53   1   .   .   .   parsed_1ull   1   
         54   1   .   .   .   parsed_1ull   1   
         55   1   .   .   .   parsed_1ull   1   
         56   1   .   .   .   parsed_1ull   1   
         57   1   .   .   .   parsed_1ull   1   
         58   1   .   .   .   parsed_1ull   1   
         59   1   .   .   .   parsed_1ull   1   
         60   1   .   .   .   parsed_1ull   1   
         61   1   .   .   .   parsed_1ull   1   
         62   1   .   .   .   parsed_1ull   1   
         63   1   .   .   .   parsed_1ull   1   
         64   1   .   .   .   parsed_1ull   1   
         65   1   .   .   .   parsed_1ull   1   
         66   1   .   .   .   parsed_1ull   1   
         67   1   .   .   .   parsed_1ull   1   
         68   1   .   .   .   parsed_1ull   1   
         69   1   .   .   .   parsed_1ull   1   
         70   1   .   .   .   parsed_1ull   1   
         71   1   .   .   .   parsed_1ull   1   
         72   1   .   .   .   parsed_1ull   1   
         73   1   .   .   .   parsed_1ull   1   
         74   1   .   .   .   parsed_1ull   1   
         75   1   .   .   .   parsed_1ull   1   
         76   1   .   .   .   parsed_1ull   1   
         77   1   .   .   .   parsed_1ull   1   
         78   1   .   .   .   parsed_1ull   1   
         79   1   .   .   .   parsed_1ull   1   
         80   1   .   .   .   parsed_1ull   1   
         81   1   .   .   .   parsed_1ull   1   
         82   1   .   .   .   parsed_1ull   1   
         83   1   .   .   .   parsed_1ull   1   
         84   1   .   .   .   parsed_1ull   1   
         85   1   .   .   .   parsed_1ull   1   
         86   1   .   .   .   parsed_1ull   1   
         87   1   .   .   .   parsed_1ull   1   
         88   1   .   .   .   parsed_1ull   1   
         89   1   .   .   .   parsed_1ull   1   
         90   1   .   .   .   parsed_1ull   1   
         91   1   .   .   .   parsed_1ull   1   
         92   1   .   .   .   parsed_1ull   1   
         93   1   .   .   .   parsed_1ull   1   
         94   1   .   .   .   parsed_1ull   1   
         95   1   .   .   .   parsed_1ull   1   
         96   1   .   .   .   parsed_1ull   1   
         97   1   .   .   .   parsed_1ull   1   
         98   1   .   .   .   parsed_1ull   1   
         99   1   .   .   .   parsed_1ull   1   
        100   1   .   .   .   parsed_1ull   1   
        101   1   .   .   .   parsed_1ull   1   
        102   1   .   .   .   parsed_1ull   1   
        103   1   .   .   .   parsed_1ull   1   
        104   1   .   .   .   parsed_1ull   1   
        105   1   .   .   .   parsed_1ull   1   
        106   1   .   .   .   parsed_1ull   1   
        107   1   .   .   .   parsed_1ull   1   
        108   1   .   .   .   parsed_1ull   1   
        109   1   .   .   .   parsed_1ull   1   
        110   1   .   .   .   parsed_1ull   1   
        111   1   .   .   .   parsed_1ull   1   
        112   1   .   .   .   parsed_1ull   1   
        113   1   .   .   .   parsed_1ull   1   
        114   1   .   .   .   parsed_1ull   1   
        115   1   .   .   .   parsed_1ull   1   
        116   1   .   .   .   parsed_1ull   1   
        117   1   .   .   .   parsed_1ull   1   
        118   1   .   .   .   parsed_1ull   1   
        119   1   .   .   .   parsed_1ull   1   
        120   1   .   .   .   parsed_1ull   1   
        121   1   .   .   .   parsed_1ull   1   
        122   1   .   .   .   parsed_1ull   1   
        123   1   .   .   .   parsed_1ull   1   
        124   1   .   .   .   parsed_1ull   1   
        125   1   .   .   .   parsed_1ull   1   
        126   1   .   .   .   parsed_1ull   1   
        127   1   .   .   .   parsed_1ull   1   
        128   1   .   .   .   parsed_1ull   1   
        129   1   .   .   .   parsed_1ull   1   
        130   1   .   .   .   parsed_1ull   1   
        131   1   .   .   .   parsed_1ull   1   
        132   1   .   .   .   parsed_1ull   1   
        133   1   .   .   .   parsed_1ull   1   
        134   1   .   .   .   parsed_1ull   1   
        135   1   .   .   .   parsed_1ull   1   
        136   1   .   .   .   parsed_1ull   1   
        137   1   .   .   .   parsed_1ull   1   
        138   1   .   .   .   parsed_1ull   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   .   .   .   .   .   .   .   .   PEPT    1   .   ha     parsed_1ull   1   
          1   1   2   .   .   .   .   .   .   .   .   PEPT    2   .   hn     parsed_1ull   1   
          2   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   hb     parsed_1ull   1   
          2   1   2   .   .   .   .   .   .   .   .   PEPT    2   .   hn     parsed_1ull   1   
          3   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   Hb     parsed_1ull   1   
          3   1   2   .   .   .   .   .   .   .   .   PEPT    3   .   hn     parsed_1ull   1   
          4   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   hb     parsed_1ull   1   
          4   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   Hn     parsed_1ull   1   
          5   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   Ha     parsed_1ull   1   
          5   1   2   .   .   .   .   .   .   .   .   PEPT    3   .   hn     parsed_1ull   1   
          6   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   Hg2#   parsed_1ull   1   
          6   1   2   .   .   .   .   .   .   .   .   PEPT    2   .   hn     parsed_1ull   1   
          7   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   Hg2#   parsed_1ull   1   
          7   1   2   .   .   .   .   .   .   .   .   PEPT    3   .   hn     parsed_1ull   1   
          8   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   Ha     parsed_1ull   1   
          8   1   2   .   .   .   .   .   .   .   .   PEPT    1   .   hg2#   parsed_1ull   1   
          9   1   1   .   .   .   .   .   .   .   .   PEPT    2   .   Ha     parsed_1ull   1   
          9   1   2   .   .   .   .   .   .   .   .   PEPT    2   .   hn     parsed_1ull   1   
         10   1   1   .   .   .   .   .   .   .   .   PEPT    2   .   ha     parsed_1ull   1   
         10   1   2   .   .   .   .   .   .   .   .   PEPT    3   .   Hn     parsed_1ull   1   
         11   1   1   .   .   .   .   .   .   .   .   PEPT    2   .   Hn     parsed_1ull   1   
         11   1   2   .   .   .   .   .   .   .   .   PEPT    3   .   hn     parsed_1ull   1   
         12   1   1   .   .   .   .   .   .   .   .   PEPT    2   .   Hn     parsed_1ull   1   
         12   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hn     parsed_1ull   1   
         13   1   1   .   .   .   .   .   .   .   .   PEPT    2   .   Ha     parsed_1ull   1   
         13   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hn     parsed_1ull   1   
         14   1   1   .   .   .   .   .   .   .   .   PEPT    2   .   Hd#    parsed_1ull   1   
         14   1   2   .   .   .   .   .   .   .   .   PEPT    2   .   he     parsed_1ull   1   
         15   1   1   .   .   .   .   .   .   .   .   PEPT    2   .   Ha     parsed_1ull   1   
         15   1   2   .   .   .   .   .   .   .   .   PEPT    2   .   hd#    parsed_1ull   1   
         16   1   1   .   .   .   .   .   .   .   .   PEPT    2   .   Ha     parsed_1ull   1   
         16   1   2   .   .   .   .   .   .   .   .   PEPT    5   .   hd#    parsed_1ull   1   
         17   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   ha     parsed_1ull   1   
         17   1   2   .   .   .   .   .   .   .   .   PEPT    3   .   Hn     parsed_1ull   1   
         18   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Hn     parsed_1ull   1   
         18   1   2   .   .   .   .   .   .   .   .   PEPT    5   .   hn     parsed_1ull   1   
         19   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Hn     parsed_1ull   1   
         19   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hn     parsed_1ull   1   
         20   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   ha     parsed_1ull   1   
         20   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   Hn     parsed_1ull   1   
         21   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Ha     parsed_1ull   1   
         21   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         22   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Ha     parsed_1ull   1   
         22   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   hn     parsed_1ull   1   
         23   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Ha     parsed_1ull   1   
         23   1   2   .   .   .   .   .   .   .   .   PEPT    5   .   hn     parsed_1ull   1   
         24   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Hb#    parsed_1ull   1   
         24   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hn     parsed_1ull   1   
         25   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Hg#    parsed_1ull   1   
         25   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hn     parsed_1ull   1   
         26   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Hg#    parsed_1ull   1   
         26   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   hd#    parsed_1ull   1   
         27   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Hg#    parsed_1ull   1   
         27   1   2   .   .   .   .   .   .   .   .   PEPT    3   .   hn     parsed_1ull   1   
         28   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Hb#    parsed_1ull   1   
         28   1   2   .   .   .   .   .   .   .   .   PEPT    3   .   hn     parsed_1ull   1   
         29   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   Ha     parsed_1ull   1   
         29   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hn     parsed_1ull   1   
         30   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   hb#    parsed_1ull   1   
         30   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   Hn     parsed_1ull   1   
         31   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   Ha     parsed_1ull   1   
         31   1   2   .   .   .   .   .   .   .   .   PEPT    5   .   hn     parsed_1ull   1   
         32   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   Hn     parsed_1ull   1   
         32   1   2   .   .   .   .   .   .   .   .   PEPT    5   .   hn     parsed_1ull   1   
         33   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   hb#    parsed_1ull   1   
         33   1   2   .   .   .   .   .   .   .   .   PEPT    5   .   Hn     parsed_1ull   1   
         34   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   Ha     parsed_1ull   1   
         34   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         35   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   Ha     parsed_1ull   1   
         35   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hb#    parsed_1ull   1   
         36   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   Ha     parsed_1ull   1   
         36   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hb1    parsed_1ull   1   
         37   1   1   .   .   .   .   .   .   .   .   PEPT    4   .   Ha     parsed_1ull   1   
         37   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hb2    parsed_1ull   1   
         38   1   1   .   .   .   .   .   .   .   .   PEPT    5   .   Ha     parsed_1ull   1   
         38   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   hn     parsed_1ull   1   
         39   1   1   .   .   .   .   .   .   .   .   PEPT    5   .   Hn     parsed_1ull   1   
         39   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   hn     parsed_1ull   1   
         40   1   1   .   .   .   .   .   .   .   .   PEPT    5   .   Ha     parsed_1ull   1   
         40   1   2   .   .   .   .   .   .   .   .   PEPT    5   .   hn     parsed_1ull   1   
         41   1   1   .   .   .   .   .   .   .   .   PEPT    5   .   Ha     parsed_1ull   1   
         41   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         42   1   1   .   .   .   .   .   .   .   .   PEPT    5   .   Ha     parsed_1ull   1   
         42   1   2   .   .   .   .   .   .   .   .   PEPT    8   .   hn     parsed_1ull   1   
         43   1   1   .   .   .   .   .   .   .   .   PEPT    5   .   Hn     parsed_1ull   1   
         43   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         44   1   1   .   .   .   .   .   .   .   .   PEPT    5   .   Hd#    parsed_1ull   1   
         44   1   2   .   .   .   .   .   .   .   .   PEPT    5   .   ha     parsed_1ull   1   
         45   1   1   .   .   .   .   .   .   .   .   PEPT    6   .   ha     parsed_1ull   1   
         45   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   Hn     parsed_1ull   1   
         46   1   1   .   .   .   .   .   .   .   .   PEPT    6   .   Ha     parsed_1ull   1   
         46   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         47   1   1   .   .   .   .   .   .   .   .   PEPT    6   .   Hn     parsed_1ull   1   
         47   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         48   1   1   .   .   .   .   .   .   .   .   PEPT    6   .   Hg#    parsed_1ull   1   
         48   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         49   1   1   .   .   .   .   .   .   .   .   PEPT    6   .   Hd#    parsed_1ull   1   
         49   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         50   1   1   .   .   .   .   .   .   .   .   PEPT    6   .   Hg#    parsed_1ull   1   
         50   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   hn     parsed_1ull   1   
         51   1   1   .   .   .   .   .   .   .   .   PEPT    6   .   Hd#    parsed_1ull   1   
         51   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   hn     parsed_1ull   1   
         52   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   ha     parsed_1ull   1   
         52   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   Hn     parsed_1ull   1   
         53   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   Ha     parsed_1ull   1   
         53   1   2   .   .   .   .   .   .   .   .   PEPT    8   .   hn     parsed_1ull   1   
         54   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   Hn     parsed_1ull   1   
         54   1   2   .   .   .   .   .   .   .   .   PEPT    8   .   hn     parsed_1ull   1   
         55   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   ha     parsed_1ull   1   
         55   1   2   .   .   .   .   .   .   .   .   PEPT   10   .   Hn     parsed_1ull   1   
         56   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   Hb#    parsed_1ull   1   
         56   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   hn     parsed_1ull   1   
         57   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   Hb#    parsed_1ull   1   
         57   1   2   .   .   .   .   .   .   .   .   PEPT    8   .   hn     parsed_1ull   1   
         58   1   1   .   .   .   .   .   .   .   .   PEPT   10   .   Hd#    parsed_1ull   1   
         58   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   ha     parsed_1ull   1   
         59   1   1   .   .   .   .   .   .   .   .   PEPT   10   .   Hb#    parsed_1ull   1   
         59   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   ha     parsed_1ull   1   
         60   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   Hb#    parsed_1ull   1   
         60   1   2   .   .   .   .   .   .   .   .   PEPT    7   .   ha     parsed_1ull   1   
         61   1   1   .   .   .   .   .   .   .   .   PEPT    8   .   Ha     parsed_1ull   1   
         61   1   2   .   .   .   .   .   .   .   .   PEPT    8   .   hn     parsed_1ull   1   
         62   1   1   .   .   .   .   .   .   .   .   PEPT    8   .   Ha     parsed_1ull   1   
         62   1   2   .   .   .   .   .   .   .   .   PEPT    9   .   hn     parsed_1ull   1   
         63   1   1   .   .   .   .   .   .   .   .   PEPT    8   .   hn     parsed_1ull   1   
         63   1   2   .   .   .   .   .   .   .   .   PEPT    9   .   Hn     parsed_1ull   1   
         64   1   1   .   .   .   .   .   .   .   .   PEPT    8   .   Ha     parsed_1ull   1   
         64   1   2   .   .   .   .   .   .   .   .   PEPT   10   .   hn     parsed_1ull   1   
         65   1   1   .   .   .   .   .   .   .   .   PEPT    8   .   Hd#    parsed_1ull   1   
         65   1   2   .   .   .   .   .   .   .   .   PEPT    8   .   hn     parsed_1ull   1   
         66   1   1   .   .   .   .   .   .   .   .   PEPT    8   .   Ha     parsed_1ull   1   
         66   1   2   .   .   .   .   .   .   .   .   PEPT   11   .   hd#    parsed_1ull   1   
         67   1   1   .   .   .   .   .   .   .   .   PEPT    8   .   Ha     parsed_1ull   1   
         67   1   2   .   .   .   .   .   .   .   .   PEPT   11   .   hg#    parsed_1ull   1   
         68   1   1   .   .   .   .   .   .   .   .   PEPT    8   .   Hd#    parsed_1ull   1   
         68   1   2   .   .   .   .   .   .   .   .   PEPT    8   .   ha     parsed_1ull   1   
         69   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   Ha     parsed_1ull   1   
         69   1   2   .   .   .   .   .   .   .   .   PEPT    9   .   hn     parsed_1ull   1   
         70   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   Hn     parsed_1ull   1   
         70   1   2   .   .   .   .   .   .   .   .   PEPT   10   .   hn     parsed_1ull   1   
         71   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   ha     parsed_1ull   1   
         71   1   2   .   .   .   .   .   .   .   .   PEPT   10   .   Hn     parsed_1ull   1   
         72   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   Hd#    parsed_1ull   1   
         72   1   2   .   .   .   .   .   .   .   .   PEPT    9   .   ha     parsed_1ull   1   
         73   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   Hd#    parsed_1ull   1   
         73   1   2   .   .   .   .   .   .   .   .   PEPT    9   .   hn     parsed_1ull   1   
         74   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   Hd#    parsed_1ull   1   
         74   1   2   .   .   .   .   .   .   .   .   PEPT   10   .   hn     parsed_1ull   1   
         75   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   Hg#    parsed_1ull   1   
         75   1   2   .   .   .   .   .   .   .   .   PEPT   10   .   hn     parsed_1ull   1   
         76   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   Ha     parsed_1ull   1   
         76   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   hb#    parsed_1ull   1   
         77   1   1   .   .   .   .   .   .   .   .   PEPT    9   .   Hd#    parsed_1ull   1   
         77   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   hb#    parsed_1ull   1   
         78   1   1   .   .   .   .   .   .   .   .   PEPT   10   .   Ha     parsed_1ull   1   
         78   1   2   .   .   .   .   .   .   .   .   PEPT   10   .   hn     parsed_1ull   1   
         79   1   1   .   .   .   .   .   .   .   .   PEPT   10   .   Hn     parsed_1ull   1   
         79   1   2   .   .   .   .   .   .   .   .   PEPT   11   .   hn     parsed_1ull   1   
         80   1   1   .   .   .   .   .   .   .   .   PEPT   10   .   ha     parsed_1ull   1   
         80   1   2   .   .   .   .   .   .   .   .   PEPT   11   .   Hn     parsed_1ull   1   
         81   1   1   .   .   .   .   .   .   .   .   PEPT   10   .   Ha     parsed_1ull   1   
         81   1   2   .   .   .   .   .   .   .   .   PEPT   13   .   hn     parsed_1ull   1   
         82   1   1   .   .   .   .   .   .   .   .   PEPT   10   .   Ha     parsed_1ull   1   
         82   1   2   .   .   .   .   .   .   .   .   PEPT   13   .   hd#    parsed_1ull   1   
         83   1   1   .   .   .   .   .   .   .   .   PEPT   11   .   Ha     parsed_1ull   1   
         83   1   2   .   .   .   .   .   .   .   .   PEPT   11   .   hn     parsed_1ull   1   
         84   1   1   .   .   .   .   .   .   .   .   PEPT   11   .   hn     parsed_1ull   1   
         84   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   Hn     parsed_1ull   1   
         85   1   1   .   .   .   .   .   .   .   .   PEPT   11   .   Ha     parsed_1ull   1   
         85   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   hn     parsed_1ull   1   
         86   1   1   .   .   .   .   .   .   .   .   PEPT   11   .   Ha     parsed_1ull   1   
         86   1   2   .   .   .   .   .   .   .   .   PEPT   14   .   hn     parsed_1ull   1   
         87   1   1   .   .   .   .   .   .   .   .   PEPT   11   .   Hd#    parsed_1ull   1   
         87   1   2   .   .   .   .   .   .   .   .   PEPT   11   .   hn     parsed_1ull   1   
         88   1   1   .   .   .   .   .   .   .   .   PEPT   11   .   Ha     parsed_1ull   1   
         88   1   2   .   .   .   .   .   .   .   .   PEPT   14   .   hg#    parsed_1ull   1   
         89   1   1   .   .   .   .   .   .   .   .   PEPT   11   .   Hd#    parsed_1ull   1   
         89   1   2   .   .   .   .   .   .   .   .   PEPT   11   .   ha     parsed_1ull   1   
         90   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Ha     parsed_1ull   1   
         90   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   hn     parsed_1ull   1   
         91   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   ha     parsed_1ull   1   
         91   1   2   .   .   .   .   .   .   .   .   PEPT   13   .   Hn     parsed_1ull   1   
         92   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Hn     parsed_1ull   1   
         92   1   2   .   .   .   .   .   .   .   .   PEPT   13   .   hn     parsed_1ull   1   
         93   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Ha     parsed_1ull   1   
         93   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   hn     parsed_1ull   1   
         94   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   hb#    parsed_1ull   1   
         94   1   2   .   .   .   .   .   .   .   .   PEPT   13   .   Hn     parsed_1ull   1   
         95   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Hb#    parsed_1ull   1   
         95   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   hn     parsed_1ull   1   
         96   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Hb#    parsed_1ull   1   
         96   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   ha     parsed_1ull   1   
         97   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Ha     parsed_1ull   1   
         97   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   hb#    parsed_1ull   1   
         98   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Ha     parsed_1ull   1   
         98   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   hd#    parsed_1ull   1   
         99   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   ha     parsed_1ull   1   
         99   1   2   .   .   .   .   .   .   .   .   PEPT   13   .   Hn     parsed_1ull   1   
        100   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   Ha     parsed_1ull   1   
        100   1   2   .   .   .   .   .   .   .   .   PEPT   14   .   hn     parsed_1ull   1   
        101   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   Hn     parsed_1ull   1   
        101   1   2   .   .   .   .   .   .   .   .   PEPT   14   .   hn     parsed_1ull   1   
        102   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   hn     parsed_1ull   1   
        102   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   Hn     parsed_1ull   1   
        103   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   Ha     parsed_1ull   1   
        103   1   2   .   .   .   .   .   .   .   .   PEPT   17   .   hn     parsed_1ull   1   
        104   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   Hd#    parsed_1ull   1   
        104   1   2   .   .   .   .   .   .   .   .   PEPT   14   .   hn     parsed_1ull   1   
        105   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   Hd#    parsed_1ull   1   
        105   1   2   .   .   .   .   .   .   .   .   PEPT   13   .   hn     parsed_1ull   1   
        106   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   Hd#    parsed_1ull   1   
        106   1   2   .   .   .   .   .   .   .   .   PEPT   13   .   ha     parsed_1ull   1   
        107   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   ha     parsed_1ull   1   
        107   1   2   .   .   .   .   .   .   .   .   PEPT   14   .   hn     parsed_1ull   1   
        108   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   Ha     parsed_1ull   1   
        108   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   hn     parsed_1ull   1   
        109   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   Hn     parsed_1ull   1   
        109   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   hn     parsed_1ull   1   
        110   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   Ha     parsed_1ull   1   
        110   1   2   .   .   .   .   .   .   .   .   PEPT   16   .   hn     parsed_1ull   1   
        111   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   Ha     parsed_1ull   1   
        111   1   2   .   .   .   .   .   .   .   .   PEPT   17   .   hn     parsed_1ull   1   
        112   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   Hb#    parsed_1ull   1   
        112   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   hn     parsed_1ull   1   
        113   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   Ha     parsed_1ull   1   
        113   1   2   .   .   .   .   .   .   .   .   PEPT   17   .   hd#    parsed_1ull   1   
        114   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   Hg#    parsed_1ull   1   
        114   1   2   .   .   .   .   .   .   .   .   PEPT   17   .   hd#    parsed_1ull   1   
        115   1   1   .   .   .   .   .   .   .   .   PEPT   14   .   Hg#    parsed_1ull   1   
        115   1   2   .   .   .   .   .   .   .   .   PEPT   14   .   ha     parsed_1ull   1   
        116   1   1   .   .   .   .   .   .   .   .   PEPT   15   .   ha     parsed_1ull   1   
        116   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   Hn     parsed_1ull   1   
        117   1   1   .   .   .   .   .   .   .   .   PEPT   15   .   Hn     parsed_1ull   1   
        117   1   2   .   .   .   .   .   .   .   .   PEPT   16   .   hn     parsed_1ull   1   
        118   1   1   .   .   .   .   .   .   .   .   PEPT   15   .   ha     parsed_1ull   1   
        118   1   2   .   .   .   .   .   .   .   .   PEPT   16   .   Hn     parsed_1ull   1   
        119   1   1   .   .   .   .   .   .   .   .   PEPT   15   .   Hb#    parsed_1ull   1   
        119   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   ha     parsed_1ull   1   
        120   1   1   .   .   .   .   .   .   .   .   PEPT   15   .   Hd#    parsed_1ull   1   
        120   1   2   .   .   .   .   .   .   .   .   PEPT   15   .   ha     parsed_1ull   1   
        121   1   1   .   .   .   .   .   .   .   .   PEPT   16   .   ha     parsed_1ull   1   
        121   1   2   .   .   .   .   .   .   .   .   PEPT   16   .   Hn     parsed_1ull   1   
        122   1   1   .   .   .   .   .   .   .   .   PEPT   16   .   Hn     parsed_1ull   1   
        122   1   2   .   .   .   .   .   .   .   .   PEPT   17   .   hn     parsed_1ull   1   
        123   1   1   .   .   .   .   .   .   .   .   PEPT   16   .   ha     parsed_1ull   1   
        123   1   2   .   .   .   .   .   .   .   .   PEPT   17   .   Hn     parsed_1ull   1   
        124   1   1   .   .   .   .   .   .   .   .   PEPT   17   .   Ha     parsed_1ull   1   
        124   1   2   .   .   .   .   .   .   .   .   PEPT   17   .   hn     parsed_1ull   1   
        125   1   1   .   .   .   .   .   .   .   .   PEPT   17   .   Hd#    parsed_1ull   1   
        125   1   2   .   .   .   .   .   .   .   .   PEPT   17   .   ha     parsed_1ull   1   
        126   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Hb#    parsed_1ull   1   
        126   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   he3    parsed_1ull   1   
        127   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Hb#    parsed_1ull   1   
        127   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   hd1    parsed_1ull   1   
        128   1   1   .   .   .   .   .   .   .   .   PEPT   12   .   Hb#    parsed_1ull   1   
        128   1   2   .   .   .   .   .   .   .   .   PEPT   12   .   hz3    parsed_1ull   1   
        129   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   Hb     parsed_1ull   1   
        129   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hb#    parsed_1ull   1   
        130   1   1   .   .   .   .   .   .   .   .   PEPT    1   .   Ha     parsed_1ull   1   
        130   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hb#    parsed_1ull   1   
        131   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Ha     parsed_1ull   1   
        131   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   hd#    parsed_1ull   1   
        132   1   1   .   .   .   .   .   .   .   .   PEPT    3   .   Ha     parsed_1ull   1   
        132   1   2   .   .   .   .   .   .   .   .   PEPT    6   .   hg#    parsed_1ull   1   
        133   1   1   .   .   .   .   .   .   .   .   PEPT   13   .   Ha     parsed_1ull   1   
        133   1   2   .   .   .   .   .   .   .   .   PEPT   16   .   hb#    parsed_1ull   1   
        134   1   1   .   .   .   .   .   .   .   .   PEPT    5   .   Ha     parsed_1ull   1   
        134   1   2   .   .   .   .   .   .   .   .   PEPT    8   .   hd#    parsed_1ull   1   
        135   1   1   .   .   .   .   .   .   .   .   PEPT    6   .   Ha     parsed_1ull   1   
        135   1   2   .   .   .   .   .   .   .   .   PEPT    9   .   hb#    parsed_1ull   1   
        136   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   Ha     parsed_1ull   1   
        136   1   2   .   .   .   .   .   .   .   .   PEPT   10   .   hg#    parsed_1ull   1   
        137   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   Hb#    parsed_1ull   1   
        137   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hb#    parsed_1ull   1   
        138   1   1   .   .   .   .   .   .   .   .   PEPT    7   .   Hd2#   parsed_1ull   1   
        138   1   2   .   .   .   .   .   .   .   .   PEPT    4   .   hb#    parsed_1ull   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   .   .   .   .   .   3.5   2.50    4.25    parsed_1ull   1   
          2   1   .   .   .   .   .   3.5   2.50    4.25    parsed_1ull   1   
          3   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
          4   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
          5   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
          6   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
          7   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
          8   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
          9   1   .   .   .   .   .   3.5   2.00    4.25    parsed_1ull   1   
         10   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         11   1   .   .   .   .   .   3.5   2.50    4.25    parsed_1ull   1   
         12   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         13   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         14   1   .   .   .   .   .   2.7   1.70    3.70    parsed_1ull   1   
         15   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         16   1   .   .   .   .   .   3.5   2.50    6.00    parsed_1ull   1   
         17   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         18   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         19   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         20   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         21   1   .   .   .   .   .   4.5   3.50    5.25    parsed_1ull   1   
         22   1   .   .   .   .   .   3.5   2.50    4.25    parsed_1ull   1   
         23   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         24   1   .   .   .   .   .   4.5   3.000   5.500   parsed_1ull   1   
         25   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         26   1   .   .   .   .   .   4.5   3.50    7.00    parsed_1ull   1   
         27   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         28   1   .   .   .   .   .   3.5   2.50    4.25    parsed_1ull   1   
         29   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         30   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         31   1   .   .   .   .   .   3.5   2.75    4.50    parsed_1ull   1   
         32   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         33   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         34   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         35   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         36   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         37   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         38   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         39   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         40   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         41   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         42   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         43   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         44   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         45   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         46   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         47   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         48   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         49   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         50   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         51   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         52   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         53   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         54   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         55   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         56   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         57   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         58   1   .   .   .   .   .   3.5   2.50    5.00    parsed_1ull   1   
         59   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         60   1   .   .   .   .   .   2.7   1.70    3.70    parsed_1ull   1   
         61   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         62   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         63   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         64   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         65   1   .   .   .   .   .   4.5   3.50    7.00    parsed_1ull   1   
         66   1   .   .   .   .   .   4.5   3.00    6.00    parsed_1ull   1   
         67   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         68   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         69   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         70   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         71   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         72   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         73   1   .   .   .   .   .   4.5   2.50    5.50    parsed_1ull   1   
         74   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         75   1   .   .   .   .   .   4.5   2.50    5.50    parsed_1ull   1   
         76   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         77   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         78   1   .   .   .   .   .   2.7   1.95    3.70    parsed_1ull   1   
         79   1   .   .   .   .   .   3.5   2.50    4.25    parsed_1ull   1   
         80   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         81   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         82   1   .   .   .   .   .   4.5   3.00    6.00    parsed_1ull   1   
         83   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         84   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         85   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         86   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         87   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
         88   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         89   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         90   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         91   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
         92   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         93   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
         94   1   .   .   .   .   .   4.5   3.75    5.25    parsed_1ull   1   
         95   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
         96   1   .   .   .   .   .   2.7   1.70    3.45    parsed_1ull   1   
         97   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
         98   1   .   .   .   .   .   4.5   3.00    5.50    parsed_1ull   1   
         99   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
        100   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
        101   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
        102   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
        103   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
        104   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
        105   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
        106   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        107   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
        108   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
        109   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
        110   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
        111   1   .   .   .   .   .   4.5   3.50    5.50    parsed_1ull   1   
        112   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        113   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        114   1   .   .   .   .   .   4.5   3.50    6.50    parsed_1ull   1   
        115   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        116   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
        117   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        118   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        119   1   .   .   .   .   .   3.5   2.00    4.50    parsed_1ull   1   
        120   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        121   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        122   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
        123   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
        124   1   .   .   .   .   .   3.5   2.75    4.25    parsed_1ull   1   
        125   1   .   .   .   .   .   3.5   2.50    4.50    parsed_1ull   1   
        126   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
        127   1   .   .   .   .   .   2.7   1.95    3.45    parsed_1ull   1   
        128   1   .   .   .   .   .   4.5   3.5     6.5     parsed_1ull   1   
        129   1   .   .   .   .   .   4.5   3.5     7.0     parsed_1ull   1   
        130   1   .   .   .   .   .   4.5   3.5     6.5     parsed_1ull   1   
        131   1   .   .   .   .   .   4.5   2.5     6.5     parsed_1ull   1   
        132   1   .   .   .   .   .   4.5   2.5     6.5     parsed_1ull   1   
        133   1   .   .   .   .   .   3.5   2.5     5.0     parsed_1ull   1   
        134   1   .   .   .   .   .   4.5   3.5     6.5     parsed_1ull   1   
        135   1   .   .   .   .   .   3.5   2.5     5.0     parsed_1ull   1   
        136   1   .   .   .   .   .   3.5   2.5     5.0     parsed_1ull   1   
        137   1   .   .   .   .   .   4.5   2.5     6.0     parsed_1ull   1   
        138   1   .   .   .   .   .   4.5   3.5     7.0     parsed_1ull   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   
;
assign     (resid 1  and name Ha    and segid PEPT)
(resid 1  and name hn    and segid PEPT)  3.5   0.75  0.75  {* correct *}
;
                            1    1     2   88   parsed_1ull   1   
         2    e                          14   72    14   74   parsed_1ull   1   
         3    o                          16   72    16   74   parsed_1ull   1   
         4    o                          18   72    18   74   parsed_1ull   1   
         5    o                          22   71    22   73   parsed_1ull   1   
         6    o                          24   72    24   74   parsed_1ull   1   
         7   "* new *"                                          27   75    27   75   parsed_1ull   1   
         8    o                          41   72    41   74   parsed_1ull   1   
         9    o                          43   72    43   74   parsed_1ull   1   
        10    o                          45   72    45   74   parsed_1ull   1   
        11    o                          47   72    47   74   parsed_1ull   1   
        12    o                          51   72    51   74   parsed_1ull   1   
        13                         63    53   72    53   75   parsed_1ull   1   
        14    o                          59   72    59   74   parsed_1ull   1   
        15    o                          61   72    61   74   parsed_1ull   1   
        16    o                          63   72    63   74   parsed_1ull   1   
        17    o                          66   72    66   74   parsed_1ull   1   
        18    o                          68   72    68   74   parsed_1ull   1   
        19    o                          70   72    70   74   parsed_1ull   1   
        20    o                          72   72    72   74   parsed_1ull   1   
        21    o                          74   72    74   74   parsed_1ull   1   
        22    o                          76   72    76   74   parsed_1ull   1   
        23    o                          78   72    78   74   parsed_1ull   1   
        24    o                          80   72    80   74   parsed_1ull   1   
        25    o                          82   72    82   74   parsed_1ull   1   
        26    o                          85   72    85   74   parsed_1ull   1   
        27    o                          87   72    87   74   parsed_1ull   1   
        28    o                          89   72    89   74   parsed_1ull   1   
        29    o                          91   72    91   74   parsed_1ull   1   
        30    o                          93   72    93   74   parsed_1ull   1   
        31    o                          95   72    95   74   parsed_1ull   1   
        32    o                          97   72    97   74   parsed_1ull   1   
        33    o                         106   72   106   74   parsed_1ull   1   
        34    o                         108   72   108   74   parsed_1ull   1   
        35    o                         110   72   110   74   parsed_1ull   1   
        36    o                         112   72   112   74   parsed_1ull   1   
        37    o                         117   72   117   74   parsed_1ull   1   
        38    o                         119   72   119   74   parsed_1ull   1   
        39    o                         123   72   123   74   parsed_1ull   1   
        40    o                         125   72   125   74   parsed_1ull   1   
        41    o                         127   72   127   74   parsed_1ull   1   
        42    o                         129   72   129   74   parsed_1ull   1   
        43    o                         131   72   131   74   parsed_1ull   1   
        44    o                         134   72   134   74   parsed_1ull   1   
        45    o                         138   72   138   74   parsed_1ull   1   
        46    o                         140   72   140   74   parsed_1ull   1   
        47    o                         142   72   142   74   parsed_1ull   1   
        48    o                         144   72   144   74   parsed_1ull   1   
        49    o                         146   72   146   74   parsed_1ull   1   
        50    o                         148   72   148   74   parsed_1ull   1   
        51    o                         157   72   157   74   parsed_1ull   1   
        52    o                         159   72   159   74   parsed_1ull   1   
        53    o                         161   72   161   74   parsed_1ull   1   
        54    o                         163   72   163   74   parsed_1ull   1   
        55    o                         165   72   165   74   parsed_1ull   1   
        56    o                         167   72   167   74   parsed_1ull   1   
        57   "* new  *"                                        173   77   173   77   parsed_1ull   1   
        58   
;
assign     (resid 10 and name Hd#   and segid PEPT)
(resid 10 and name ha    and segid PEPT)  4.5   1.50  1.00!o
;
                          179    1   180   75   parsed_1ull   1   
        59    o                         182   72   182   74   parsed_1ull   1   
        60    o                         191   72   191   74   parsed_1ull   1   
        61    o                         193   72   193   74   parsed_1ull   1   
        62    o                         195   72   195   74   parsed_1ull   1   
        63    o                         197   72   197   74   parsed_1ull   1   
        64    o                         204   72   204   74   parsed_1ull   1   
        65    o                         210   72   210   74   parsed_1ull   1   
        66    o                         212   72   212   74   parsed_1ull   1   
        67    o                         214   72   214   74   parsed_1ull   1   
        68    o                         216   72   216   74   parsed_1ull   1   
        69    o                         229   72   229   74   parsed_1ull   1   
        70    o                         231   72   231   74   parsed_1ull   1   
        71    o                         233   72   233   74   parsed_1ull   1   
        72   "* correct *"                                     236   76   236   76   parsed_1ull   1   
        73    o                         238   72   238   74   parsed_1ull   1   
        74    o                         240   72   240   74   parsed_1ull   1   
        75    o                         242   72   242   74   parsed_1ull   1   
        76    o                         244   72   244   74   parsed_1ull   1   
        77    o                         246   72   246   74   parsed_1ull   1   
        78    o                         248   72   248   74   parsed_1ull   1   
        79    o                         250   72   250   74   parsed_1ull   1   
        80    o                         252   72   252   74   parsed_1ull   1   
        81    o                         257   72   257   74   parsed_1ull   1   
        82    o                         261   72   261   74   parsed_1ull   1   
        83    o                         263   72   263   74   parsed_1ull   1   
        84    o                         275   72   275   74   parsed_1ull   1   
        85   "* comment new stuff *"                           277    1   277    1   parsed_1ull   1   
    stop_

save_





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