NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage program type subtype item_count
37938 1qk6 cing recoord 2-parsed STAR entry full 151


data_1qk6_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1qk6 
    _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_1qk6   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1qk6 
    _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   1qk6   "Master copy"    parsed_1qk6   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1qk6 
    _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   1qk6.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1qk6   1   
        1   1qk6.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             142   parsed_1qk6   1   
        1   1qk6.mr   .   .    XPLOR/CNS     3    distance                 "disulfide bond"     simple               9   parsed_1qk6   1   
        1   1qk6.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1qk6   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1qk6 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER    TOXIN                                   16-JUN-99   1QK6
*TITLE     SOLUTION STRUCTURE OF HUWENTOXIN-I BY NMR
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: HUWENTOXIN-I;
*COMPND   3 CHAIN: A
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: SELENOCOSMIA HUWENA;
*SOURCE   3 ORGANISM_COMMON: CHINESE BIRD SPIDER;
*SOURCE   4 ORGAN: VENOM GLAND;
*SOURCE   5 SECRETION: VENOM
*KEYWDS    TOXIN, HUWENTOXIN-I, SPIDER, CYSTINE KNOT
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    Y.QU,S.LIANG,J.DING,X.LIU,R.ZHANG,X.GU
*REVDAT   1   20-AUG-99 1QK6    0




;

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1qk6 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _Distance_constraint_list.Details            "Generated by Wattos" 

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

          1   1   .   .   .   parsed_1qk6   1   
          2   1   .   .   .   parsed_1qk6   1   
          3   1   .   .   .   parsed_1qk6   1   
          4   1   .   .   .   parsed_1qk6   1   
          5   1   .   .   .   parsed_1qk6   1   
          6   1   .   .   .   parsed_1qk6   1   
          7   1   .   .   .   parsed_1qk6   1   
          8   1   .   .   .   parsed_1qk6   1   
          9   1   .   .   .   parsed_1qk6   1   
         10   1   .   .   .   parsed_1qk6   1   
         11   1   .   .   .   parsed_1qk6   1   
         12   1   .   .   .   parsed_1qk6   1   
         13   1   .   .   .   parsed_1qk6   1   
         14   1   .   .   .   parsed_1qk6   1   
         15   1   .   .   .   parsed_1qk6   1   
         16   1   .   .   .   parsed_1qk6   1   
         17   1   .   .   .   parsed_1qk6   1   
         18   1   .   .   .   parsed_1qk6   1   
         19   1   .   .   .   parsed_1qk6   1   
         20   1   .   .   .   parsed_1qk6   1   
         21   1   .   .   .   parsed_1qk6   1   
         22   1   .   .   .   parsed_1qk6   1   
         23   1   .   .   .   parsed_1qk6   1   
         24   1   .   .   .   parsed_1qk6   1   
         25   1   .   .   .   parsed_1qk6   1   
         26   1   .   .   .   parsed_1qk6   1   
         27   1   .   .   .   parsed_1qk6   1   
         28   1   .   .   .   parsed_1qk6   1   
         29   1   .   .   .   parsed_1qk6   1   
         30   1   .   .   .   parsed_1qk6   1   
         31   1   .   .   .   parsed_1qk6   1   
         32   1   .   .   .   parsed_1qk6   1   
         33   1   .   .   .   parsed_1qk6   1   
         34   1   .   .   .   parsed_1qk6   1   
         35   1   .   .   .   parsed_1qk6   1   
         36   1   .   .   .   parsed_1qk6   1   
         37   1   .   .   .   parsed_1qk6   1   
         38   1   .   .   .   parsed_1qk6   1   
         39   1   .   .   .   parsed_1qk6   1   
         40   1   .   .   .   parsed_1qk6   1   
         41   1   .   .   .   parsed_1qk6   1   
         42   1   .   .   .   parsed_1qk6   1   
         43   1   .   .   .   parsed_1qk6   1   
         44   1   .   .   .   parsed_1qk6   1   
         45   1   .   .   .   parsed_1qk6   1   
         46   1   .   .   .   parsed_1qk6   1   
         47   1   .   .   .   parsed_1qk6   1   
         48   1   .   .   .   parsed_1qk6   1   
         49   1   .   .   .   parsed_1qk6   1   
         50   1   .   .   .   parsed_1qk6   1   
         51   1   .   .   .   parsed_1qk6   1   
         52   1   .   .   .   parsed_1qk6   1   
         53   1   .   .   .   parsed_1qk6   1   
         54   1   .   .   .   parsed_1qk6   1   
         55   1   .   .   .   parsed_1qk6   1   
         56   1   .   .   .   parsed_1qk6   1   
         57   1   .   .   .   parsed_1qk6   1   
         58   1   .   .   .   parsed_1qk6   1   
         59   1   .   .   .   parsed_1qk6   1   
         60   1   .   .   .   parsed_1qk6   1   
         61   1   .   .   .   parsed_1qk6   1   
         62   1   .   .   .   parsed_1qk6   1   
         63   1   .   .   .   parsed_1qk6   1   
         64   1   .   .   .   parsed_1qk6   1   
         65   1   .   .   .   parsed_1qk6   1   
         66   1   .   .   .   parsed_1qk6   1   
         67   1   .   .   .   parsed_1qk6   1   
         68   1   .   .   .   parsed_1qk6   1   
         69   1   .   .   .   parsed_1qk6   1   
         70   1   .   .   .   parsed_1qk6   1   
         71   1   .   .   .   parsed_1qk6   1   
         72   1   .   .   .   parsed_1qk6   1   
         73   1   .   .   .   parsed_1qk6   1   
         74   1   .   .   .   parsed_1qk6   1   
         75   1   .   .   .   parsed_1qk6   1   
         76   1   .   .   .   parsed_1qk6   1   
         77   1   .   .   .   parsed_1qk6   1   
         78   1   .   .   .   parsed_1qk6   1   
         79   1   .   .   .   parsed_1qk6   1   
         80   1   .   .   .   parsed_1qk6   1   
         81   1   .   .   .   parsed_1qk6   1   
         82   1   .   .   .   parsed_1qk6   1   
         83   1   .   .   .   parsed_1qk6   1   
         84   1   .   .   .   parsed_1qk6   1   
         85   1   .   .   .   parsed_1qk6   1   
         86   1   .   .   .   parsed_1qk6   1   
         87   1   .   .   .   parsed_1qk6   1   
         88   1   .   .   .   parsed_1qk6   1   
         89   1   .   .   .   parsed_1qk6   1   
         90   1   .   .   .   parsed_1qk6   1   
         91   1   .   .   .   parsed_1qk6   1   
         92   1   .   .   .   parsed_1qk6   1   
         93   1   .   .   .   parsed_1qk6   1   
         94   1   .   .   .   parsed_1qk6   1   
         95   1   .   .   .   parsed_1qk6   1   
         96   1   .   .   .   parsed_1qk6   1   
         97   1   .   .   .   parsed_1qk6   1   
         98   1   .   .   .   parsed_1qk6   1   
         99   1   .   .   .   parsed_1qk6   1   
        100   1   .   .   .   parsed_1qk6   1   
        101   1   .   .   .   parsed_1qk6   1   
        102   1   .   .   .   parsed_1qk6   1   
        103   1   .   .   .   parsed_1qk6   1   
        104   1   .   .   .   parsed_1qk6   1   
        105   1   .   .   .   parsed_1qk6   1   
        106   1   .   .   .   parsed_1qk6   1   
        107   1   .   .   .   parsed_1qk6   1   
        108   1   .   .   .   parsed_1qk6   1   
        109   1   .   .   .   parsed_1qk6   1   
        110   1   .   .   .   parsed_1qk6   1   
        111   1   .   .   .   parsed_1qk6   1   
        112   1   .   .   .   parsed_1qk6   1   
        113   1   .   .   .   parsed_1qk6   1   
        114   1   .   .   .   parsed_1qk6   1   
        115   1   .   .   .   parsed_1qk6   1   
        116   1   .   .   .   parsed_1qk6   1   
        117   1   .   .   .   parsed_1qk6   1   
        118   1   .   .   .   parsed_1qk6   1   
        119   1   .   .   .   parsed_1qk6   1   
        120   1   .   .   .   parsed_1qk6   1   
        121   1   .   .   .   parsed_1qk6   1   
        122   1   .   .   .   parsed_1qk6   1   
        123   1   .   .   .   parsed_1qk6   1   
        124   1   .   .   .   parsed_1qk6   1   
        125   1   .   .   .   parsed_1qk6   1   
        126   1   .   .   .   parsed_1qk6   1   
        127   1   .   .   .   parsed_1qk6   1   
        128   1   .   .   .   parsed_1qk6   1   
        129   1   .   .   .   parsed_1qk6   1   
        130   1   .   .   .   parsed_1qk6   1   
        131   1   .   .   .   parsed_1qk6   1   
        132   1   .   .   .   parsed_1qk6   1   
        133   1   .   .   .   parsed_1qk6   1   
        134   1   .   .   .   parsed_1qk6   1   
        135   1   .   .   .   parsed_1qk6   1   
        136   1   .   .   .   parsed_1qk6   1   
        137   1   .   .   .   parsed_1qk6   1   
        138   1   .   .   .   parsed_1qk6   1   
        139   1   .   .   .   parsed_1qk6   1   
        140   1   .   .   .   parsed_1qk6   1   
        141   1   .   .   .   parsed_1qk6   1   
        142   1   .   .   .   parsed_1qk6   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   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_1qk6   1   
          1   1   2   .   .   .   .   .   .   .   .   .   28   .   HB#    parsed_1qk6   1   
          2   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1qk6   1   
          2   1   2   .   .   .   .   .   .   .   .   .   28   .   HD1    parsed_1qk6   1   
          3   1   1   .   .   .   .   .   .   .   .   .    8   .   HA     parsed_1qk6   1   
          3   1   2   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1qk6   1   
          4   1   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_1qk6   1   
          4   1   2   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1qk6   1   
          5   1   1   .   .   .   .   .   .   .   .   .    9   .   HB#    parsed_1qk6   1   
          5   1   2   .   .   .   .   .   .   .   .   .   22   .   HB#    parsed_1qk6   1   
          6   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_1qk6   1   
          6   1   2   .   .   .   .   .   .   .   .   .   27   .   HA     parsed_1qk6   1   
          7   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_1qk6   1   
          7   1   2   .   .   .   .   .   .   .   .   .   27   .   HB#    parsed_1qk6   1   
          8   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_1qk6   1   
          8   1   2   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1qk6   1   
          9   1   1   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1qk6   1   
          9   1   2   .   .   .   .   .   .   .   .   .   22   .   HB#    parsed_1qk6   1   
         10   1   1   .   .   .   .   .   .   .   .   .   16   .   HB#    parsed_1qk6   1   
         10   1   2   .   .   .   .   .   .   .   .   .   29   .   HB#    parsed_1qk6   1   
         11   1   1   .   .   .   .   .   .   .   .   .   17   .   HA     parsed_1qk6   1   
         11   1   2   .   .   .   .   .   .   .   .   .    2   .   HB#    parsed_1qk6   1   
         12   1   1   .   .   .   .   .   .   .   .   .   20   .   HH#    parsed_1qk6   1   
         12   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         13   1   1   .   .   .   .   .   .   .   .   .   22   .   HA     parsed_1qk6   1   
         13   1   2   .   .   .   .   .   .   .   .   .   29   .   HA     parsed_1qk6   1   
         14   1   1   .   .   .   .   .   .   .   .   .   23   .   ha     parsed_1qk6   1   
         14   1   2   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1qk6   1   
         15   1   1   .   .   .   .   .   .   .   .   .   23   .   HN     parsed_1qk6   1   
         15   1   2   .   .   .   .   .   .   .   .   .   28   .   HD1    parsed_1qk6   1   
         16   1   1   .   .   .   .   .   .   .   .   .   23   .   HN     parsed_1qk6   1   
         16   1   2   .   .   .   .   .   .   .   .   .   28   .   HN     parsed_1qk6   1   
         17   1   1   .   .   .   .   .   .   .   .   .   28   .   HD1    parsed_1qk6   1   
         17   1   2   .   .   .   .   .   .   .   .   .    6   .   HD#    parsed_1qk6   1   
         18   1   1   .   .   .   .   .   .   .   .   .   28   .   HE1    parsed_1qk6   1   
         18   1   2   .   .   .   .   .   .   .   .   .    6   .   HD#    parsed_1qk6   1   
         19   1   1   .   .   .   .   .   .   .   .   .   28   .   HE1    parsed_1qk6   1   
         19   1   2   .   .   .   .   .   .   .   .   .    6   .   HE#    parsed_1qk6   1   
         20   1   1   .   .   .   .   .   .   .   .   .   29   .   HN     parsed_1qk6   1   
         20   1   2   .   .   .   .   .   .   .   .   .    7   .   HN     parsed_1qk6   1   
         21   1   1   .   .   .   .   .   .   .   .   .   30   .   HN     parsed_1qk6   1   
         21   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         22   1   1   .   .   .   .   .   .   .   .   .   30   .   AN     parsed_1qk6   1   
         22   1   2   .   .   .   .   .   .   .   .   .   21   .   HG#    parsed_1qk6   1   
         23   1   1   .   .   .   .   .   .   .   .   .   30   .   gy     parsed_1qk6   1   
         23   1   2   .   .   .   .   .   .   .   .   .   21   .   HN     parsed_1qk6   1   
         24   1   1   .   .   .   .   .   .   .   .   .   30   .   HN     parsed_1qk6   1   
         24   1   2   .   .   .   .   .   .   .   .   .   22   .   HA     parsed_1qk6   1   
         25   1   1   .   .   .   .   .   .   .   .   .   31   .   HB#    parsed_1qk6   1   
         25   1   2   .   .   .   .   .   .   .   .   .   21   .   HG#    parsed_1qk6   1   
         26   1   1   .   .   .   .   .   .   .   .   .   31   .   HE1    parsed_1qk6   1   
         26   1   2   .   .   .   .   .   .   .   .   .    5   .   HB     parsed_1qk6   1   
         27   1   1   .   .   .   .   .   .   .   .   .   31   .   HE1    parsed_1qk6   1   
         27   1   2   .   .   .   .   .   .   .   .   .   20   .   HH#    parsed_1qk6   1   
         28   1   1   .   .   .   .   .   .   .   .   .   31   .   HE3    parsed_1qk6   1   
         28   1   2   .   .   .   .   .   .   .   .   .   20   .   HA     parsed_1qk6   1   
         29   1   1   .   .   .   .   .   .   .   .   .   31   .   HN     parsed_1qk6   1   
         29   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         30   1   1   .   .   .   .   .   .   .   .   .   31   .   HN     parsed_1qk6   1   
         30   1   2   .   .   .   .   .   .   .   .   .   20   .   HG#    parsed_1qk6   1   
         31   1   1   .   .   .   .   .   .   .   .   .   31   .   HZZ    parsed_1qk6   1   
         31   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         32   1   1   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_1qk6   1   
         32   1   2   .   .   .   .   .   .   .   .   .    3   .   HB#    parsed_1qk6   1   
         33   1   1   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1qk6   1   
         33   1   2   .   .   .   .   .   .   .   .   .    3   .   HB#    parsed_1qk6   1   
         34   1   1   .   .   .   .   .   .   .   .   .   10   .   HB     parsed_1qk6   1   
         34   1   2   .   .   .   .   .   .   .   .   .   13   .   HB#    parsed_1qk6   1   
         35   1   1   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_1qk6   1   
         35   1   2   .   .   .   .   .   .   .   .   .   13   .   HB#    parsed_1qk6   1   
         36   1   1   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_1qk6   1   
         36   1   2   .   .   .   .   .   .   .   .   .   13   .   HD#    parsed_1qk6   1   
         37   1   1   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_1qk6   1   
         37   1   2   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_1qk6   1   
         38   1   1   .   .   .   .   .   .   .   .   .   16   .   HB#    parsed_1qk6   1   
         38   1   2   .   .   .   .   .   .   .   .   .   20   .   HB#    parsed_1qk6   1   
         39   1   1   .   .   .   .   .   .   .   .   .   27   .   HN     parsed_1qk6   1   
         39   1   2   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1qk6   1   
         40   1   1   .   .   .   .   .   .   .   .   .   28   .   HD1    parsed_1qk6   1   
         40   1   2   .   .   .   .   .   .   .   .   .   30   .   HA     parsed_1qk6   1   
         41   1   1   .   .   .   .   .   .   .   .   .   28   .   HE1    parsed_1qk6   1   
         41   1   2   .   .   .   .   .   .   .   .   .   30   .   HB#    parsed_1qk6   1   
         42   1   1   .   .   .   .   .   .   .   .   .   28   .   HE1    parsed_1qk6   1   
         42   1   2   .   .   .   .   .   .   .   .   .   30   .   HG#    parsed_1qk6   1   
         43   1   1   .   .   .   .   .   .   .   .   .    2   .   HN     parsed_1qk6   1   
         43   1   2   .   .   .   .   .   .   .   .   .    1   .   HA     parsed_1qk6   1   
         44   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_1qk6   1   
         44   1   2   .   .   .   .   .   .   .   .   .    3   .   HA     parsed_1qk6   1   
         45   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_1qk6   1   
         45   1   2   .   .   .   .   .   .   .   .   .    3   .   HB#    parsed_1qk6   1   
         46   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_1qk6   1   
         46   1   2   .   .   .   .   .   .   .   .   .    3   .   HG#    parsed_1qk6   1   
         47   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_1qk6   1   
         47   1   2   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_1qk6   1   
         48   1   1   .   .   .   .   .   .   .   .   .    6   .   HD#    parsed_1qk6   1   
         48   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         49   1   1   .   .   .   .   .   .   .   .   .    6   .   HE#    parsed_1qk6   1   
         49   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         50   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1qk6   1   
         50   1   2   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_1qk6   1   
         51   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1qk6   1   
         51   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         52   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1qk6   1   
         52   1   2   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_1qk6   1   
         53   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1qk6   1   
         53   1   2   .   .   .   .   .   .   .   .   .    7   .   HN     parsed_1qk6   1   
         54   1   1   .   .   .   .   .   .   .   .   .    8   .   HN     parsed_1qk6   1   
         54   1   2   .   .   .   .   .   .   .   .   .    7   .   HA     parsed_1qk6   1   
         55   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_1qk6   1   
         55   1   2   .   .   .   .   .   .   .   .   .    8   .   HB#    parsed_1qk6   1   
         56   1   1   .   .   .   .   .   .   .   .   .   10   .   HA     parsed_1qk6   1   
         56   1   2   .   .   .   .   .   .   .   .   .   11   .   HD#    parsed_1qk6   1   
         57   1   1   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_1qk6   1   
         57   1   2   .   .   .   .   .   .   .   .   .    9   .   HB#    parsed_1qk6   1   
         58   1   1   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_1qk6   1   
         58   1   2   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1qk6   1   
         59   1   1   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_1qk6   1   
         59   1   2   .   .   .   .   .   .   .   .   .   11   .   HB#    parsed_1qk6   1   
         60   1   1   .   .   .   .   .   .   .   .   .   12   .   HN     parsed_1qk6   1   
         60   1   2   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_1qk6   1   
         61   1   1   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_1qk6   1   
         61   1   2   .   .   .   .   .   .   .   .   .   12   .   HA#    parsed_1qk6   1   
         62   1   1   .   .   .   .   .   .   .   .   .   14   .   HN     parsed_1qk6   1   
         62   1   2   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_1qk6   1   
         63   1   1   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_1qk6   1   
         63   1   2   .   .   .   .   .   .   .   .   .   15   .   HA     parsed_1qk6   1   
         64   1   1   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_1qk6   1   
         64   1   2   .   .   .   .   .   .   .   .   .   15   .   HG#    parsed_1qk6   1   
         65   1   1   .   .   .   .   .   .   .   .   .   17   .   HN     parsed_1qk6   1   
         65   1   2   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_1qk6   1   
         66   1   1   .   .   .   .   .   .   .   .   .   18   .   HD#    parsed_1qk6   1   
         66   1   2   .   .   .   .   .   .   .   .   .   17   .   HB#    parsed_1qk6   1   
         67   1   1   .   .   .   .   .   .   .   .   .   19   .   HN     parsed_1qk6   1   
         67   1   2   .   .   .   .   .   .   .   .   .   20   .   HN     parsed_1qk6   1   
         68   1   1   .   .   .   .   .   .   .   .   .   21   .   HN     parsed_1qk6   1   
         68   1   2   .   .   .   .   .   .   .   .   .   22   .   HN     parsed_1qk6   1   
         69   1   1   .   .   .   .   .   .   .   .   .   22   .   HN     parsed_1qk6   1   
         69   1   2   .   .   .   .   .   .   .   .   .   21   .   HB     parsed_1qk6   1   
         70   1   1   .   .   .   .   .   .   .   .   .   22   .   HN     parsed_1qk6   1   
         70   1   2   .   .   .   .   .   .   .   .   .   21   .   HG#    parsed_1qk6   1   
         71   1   1   .   .   .   .   .   .   .   .   .   22   .   HN     parsed_1qk6   1   
         71   1   2   .   .   .   .   .   .   .   .   .   23   .   HN     parsed_1qk6   1   
         72   1   1   .   .   .   .   .   .   .   .   .   24   .   HN     parsed_1qk6   1   
         72   1   2   .   .   .   .   .   .   .   .   .   23   .   HA     parsed_1qk6   1   
         73   1   1   .   .   .   .   .   .   .   .   .   24   .   HN     parsed_1qk6   1   
         73   1   2   .   .   .   .   .   .   .   .   .   23   .   HB#    parsed_1qk6   1   
         74   1   1   .   .   .   .   .   .   .   .   .   24   .   HN     parsed_1qk6   1   
         74   1   2   .   .   .   .   .   .   .   .   .   23   .   HN     parsed_1qk6   1   
         75   1   1   .   .   .   .   .   .   .   .   .   24   .   HN     parsed_1qk6   1   
         75   1   2   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1qk6   1   
         76   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1qk6   1   
         76   1   2   .   .   .   .   .   .   .   .   .   24   .   HA     parsed_1qk6   1   
         77   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1qk6   1   
         77   1   2   .   .   .   .   .   .   .   .   .   26   .   HN     parsed_1qk6   1   
         78   1   1   .   .   .   .   .   .   .   .   .   26   .   HN     parsed_1qk6   1   
         78   1   2   .   .   .   .   .   .   .   .   .   25   .   HA     parsed_1qk6   1   
         79   1   1   .   .   .   .   .   .   .   .   .   26   .   HN     parsed_1qk6   1   
         79   1   2   .   .   .   .   .   .   .   .   .   27   .   HA     parsed_1qk6   1   
         80   1   1   .   .   .   .   .   .   .   .   .   27   .   HN     parsed_1qk6   1   
         80   1   2   .   .   .   .   .   .   .   .   .   26   .   HA     parsed_1qk6   1   
         81   1   1   .   .   .   .   .   .   .   .   .   27   .   HN     parsed_1qk6   1   
         81   1   2   .   .   .   .   .   .   .   .   .   26   .   HN     parsed_1qk6   1   
         82   1   1   .   .   .   .   .   .   .   .   .   27   .   HN     parsed_1qk6   1   
         82   1   2   .   .   .   .   .   .   .   .   .   28   .   HN     parsed_1qk6   1   
         83   1   1   .   .   .   .   .   .   .   .   .   29   .   AN     parsed_1qk6   1   
         83   1   2   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1qk6   1   
         84   1   1   .   .   .   .   .   .   .   .   .   29   .   HN     parsed_1qk6   1   
         84   1   2   .   .   .   .   .   .   .   .   .   28   .   HD1    parsed_1qk6   1   
         85   1   1   .   .   .   .   .   .   .   .   .   30   .   HN     parsed_1qk6   1   
         85   1   2   .   .   .   .   .   .   .   .   .   29   .   HN     parsed_1qk6   1   
         86   1   1   .   .   .   .   .   .   .   .   .   31   .   HD1    parsed_1qk6   1   
         86   1   2   .   .   .   .   .   .   .   .   .   30   .   HA     parsed_1qk6   1   
         87   1   1   .   .   .   .   .   .   .   .   .   32   .   HN     parsed_1qk6   1   
         87   1   2   .   .   .   .   .   .   .   .   .   31   .   HA     parsed_1qk6   1   
         88   1   1   .   .   .   .   .   .   .   .   .   32   .   HN     parsed_1qk6   1   
         88   1   2   .   .   .   .   .   .   .   .   .   31   .   HE3    parsed_1qk6   1   
         89   1   1   .   .   .   .   .   .   .   .   .    2   .   HA     parsed_1qk6   1   
         89   1   2   .   .   .   .   .   .   .   .   .    2   .   HB#    parsed_1qk6   1   
         90   1   1   .   .   .   .   .   .   .   .   .    3   .   HA     parsed_1qk6   1   
         90   1   2   .   .   .   .   .   .   .   .   .    3   .   HB#    parsed_1qk6   1   
         91   1   1   .   .   .   .   .   .   .   .   .    3   .   HN     parsed_1qk6   1   
         91   1   2   .   .   .   .   .   .   .   .   .    3   .   HA     parsed_1qk6   1   
         92   1   1   .   .   .   .   .   .   .   .   .    4   .   HN     parsed_1qk6   1   
         92   1   2   .   .   .   .   .   .   .   .   .    4   .   HA#    parsed_1qk6   1   
         93   1   1   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_1qk6   1   
         93   1   2   .   .   .   .   .   .   .   .   .    5   .   HB     parsed_1qk6   1   
         94   1   1   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_1qk6   1   
         94   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         95   1   1   .   .   .   .   .   .   .   .   .    5   .   HB     parsed_1qk6   1   
         95   1   2   .   .   .   .   .   .   .   .   .    5   .   HG#    parsed_1qk6   1   
         96   1   1   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_1qk6   1   
         96   1   2   .   .   .   .   .   .   .   .   .    5   .   HA     parsed_1qk6   1   
         97   1   1   .   .   .   .   .   .   .   .   .    5   .   HN     parsed_1qk6   1   
         97   1   2   .   .   .   .   .   .   .   .   .    5   .   HB     parsed_1qk6   1   
         98   1   1   .   .   .   .   .   .   .   .   .    6   .   HD#    parsed_1qk6   1   
         98   1   2   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_1qk6   1   
         99   1   1   .   .   .   .   .   .   .   .   .    6   .   HD#    parsed_1qk6   1   
         99   1   2   .   .   .   .   .   .   .   .   .    6   .   HB#    parsed_1qk6   1   
        100   1   1   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1qk6   1   
        100   1   2   .   .   .   .   .   .   .   .   .    6   .   HA     parsed_1qk6   1   
        101   1   1   .   .   .   .   .   .   .   .   .    6   .   HD#    parsed_1qk6   1   
        101   1   2   .   .   .   .   .   .   .   .   .    6   .   HN     parsed_1qk6   1   
        102   1   1   .   .   .   .   .   .   .   .   .    7   .   HN     parsed_1qk6   1   
        102   1   2   .   .   .   .   .   .   .   .   .    7   .   HA     parsed_1qk6   1   
        103   1   1   .   .   .   .   .   .   .   .   .    7   .   AN     parsed_1qk6   1   
        103   1   2   .   .   .   .   .   .   .   .   .    7   .   HB#    parsed_1qk6   1   
        104   1   1   .   .   .   .   .   .   .   .   .    9   .   HN     parsed_1qk6   1   
        104   1   2   .   .   .   .   .   .   .   .   .    9   .   HB#    parsed_1qk6   1   
        105   1   1   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_1qk6   1   
        105   1   2   .   .   .   .   .   .   .   .   .   10   .   HB     parsed_1qk6   1   
        106   1   1   .   .   .   .   .   .   .   .   .   10   .   gy     parsed_1qk6   1   
        106   1   2   .   .   .   .   .   .   .   .   .   10   .   HG2#   parsed_1qk6   1   
        107   1   1   .   .   .   .   .   .   .   .   .   10   .   HN     parsed_1qk6   1   
        107   1   2   .   .   .   .   .   .   .   .   .   10   .   HA     parsed_1qk6   1   
        108   1   1   .   .   .   .   .   .   .   .   .   11   .   HA     parsed_1qk6   1   
        108   1   2   .   .   .   .   .   .   .   .   .   11   .   HB#    parsed_1qk6   1   
        109   1   1   .   .   .   .   .   .   .   .   .   11   .   HD#    parsed_1qk6   1   
        109   1   2   .   .   .   .   .   .   .   .   .   11   .   HG#    parsed_1qk6   1   
        110   1   1   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1qk6   1   
        110   1   2   .   .   .   .   .   .   .   .   .   13   .   HD#    parsed_1qk6   1   
        111   1   1   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_1qk6   1   
        111   1   2   .   .   .   .   .   .   .   .   .   13   .   HA     parsed_1qk6   1   
        112   1   1   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_1qk6   1   
        112   1   2   .   .   .   .   .   .   .   .   .   13   .   HB#    parsed_1qk6   1   
        113   1   1   .   .   .   .   .   .   .   .   .   13   .   HN     parsed_1qk6   1   
        113   1   2   .   .   .   .   .   .   .   .   .   13   .   HD#    parsed_1qk6   1   
        114   1   1   .   .   .   .   .   .   .   .   .   15   .   HA     parsed_1qk6   1   
        114   1   2   .   .   .   .   .   .   .   .   .   15   .   HB#    parsed_1qk6   1   
        115   1   1   .   .   .   .   .   .   .   .   .   15   .   HN     parsed_1qk6   1   
        115   1   2   .   .   .   .   .   .   .   .   .   15   .   HA     parsed_1qk6   1   
        116   1   1   .   .   .   .   .   .   .   .   .   16   .   HN     parsed_1qk6   1   
        116   1   2   .   .   .   .   .   .   .   .   .   16   .   HA     parsed_1qk6   1   
        117   1   1   .   .   .   .   .   .   .   .   .   17   .   HA     parsed_1qk6   1   
        117   1   2   .   .   .   .   .   .   .   .   .   17   .   HB#    parsed_1qk6   1   
        118   1   1   .   .   .   .   .   .   .   .   .   18   .   HD#    parsed_1qk6   1   
        118   1   2   .   .   .   .   .   .   .   .   .   18   .   HG#    parsed_1qk6   1   
        119   1   1   .   .   .   .   .   .   .   .   .   19   .   HN     parsed_1qk6   1   
        119   1   2   .   .   .   .   .   .   .   .   .   19   .   HA     parsed_1qk6   1   
        120   1   1   .   .   .   .   .   .   .   .   .   21   .   HA     parsed_1qk6   1   
        120   1   2   .   .   .   .   .   .   .   .   .   21   .   HB     parsed_1qk6   1   
        121   1   1   .   .   .   .   .   .   .   .   .   21   .   HA     parsed_1qk6   1   
        121   1   2   .   .   .   .   .   .   .   .   .   21   .   HG#    parsed_1qk6   1   
        122   1   1   .   .   .   .   .   .   .   .   .   21   .   HB     parsed_1qk6   1   
        122   1   2   .   .   .   .   .   .   .   .   .   21   .   HG#    parsed_1qk6   1   
        123   1   1   .   .   .   .   .   .   .   .   .   21   .   HN     parsed_1qk6   1   
        123   1   2   .   .   .   .   .   .   .   .   .   21   .   HB     parsed_1qk6   1   
        124   1   1   .   .   .   .   .   .   .   .   .   22   .   HN     parsed_1qk6   1   
        124   1   2   .   .   .   .   .   .   .   .   .   22   .   HA     parsed_1qk6   1   
        125   1   1   .   .   .   .   .   .   .   .   .   22   .   HN     parsed_1qk6   1   
        125   1   2   .   .   .   .   .   .   .   .   .   22   .   HB#    parsed_1qk6   1   
        126   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1qk6   1   
        126   1   2   .   .   .   .   .   .   .   .   .   25   .   HA     parsed_1qk6   1   
        127   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1qk6   1   
        127   1   2   .   .   .   .   .   .   .   .   .   25   .   HB#    parsed_1qk6   1   
        128   1   1   .   .   .   .   .   .   .   .   .   25   .   HN     parsed_1qk6   1   
        128   1   2   .   .   .   .   .   .   .   .   .   25   .   HG#    parsed_1qk6   1   
        129   1   1   .   .   .   .   .   .   .   .   .   26   .   HN     parsed_1qk6   1   
        129   1   2   .   .   .   .   .   .   .   .   .   26   .   HA     parsed_1qk6   1   
        130   1   1   .   .   .   .   .   .   .   .   .   27   .   HB#    parsed_1qk6   1   
        130   1   2   .   .   .   .   .   .   .   .   .   27   .   HG#    parsed_1qk6   1   
        131   1   1   .   .   .   .   .   .   .   .   .   27   .   HN     parsed_1qk6   1   
        131   1   2   .   .   .   .   .   .   .   .   .   27   .   HA     parsed_1qk6   1   
        132   1   1   .   .   .   .   .   .   .   .   .   28   .   HD1    parsed_1qk6   1   
        132   1   2   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1qk6   1   
        133   1   1   .   .   .   .   .   .   .   .   .   28   .   HN     parsed_1qk6   1   
        133   1   2   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1qk6   1   
        134   1   1   .   .   .   .   .   .   .   .   .   28   .   HE1    parsed_1qk6   1   
        134   1   2   .   .   .   .   .   .   .   .   .   28   .   HN     parsed_1qk6   1   
        135   1   1   .   .   .   .   .   .   .   .   .   30   .   HA     parsed_1qk6   1   
        135   1   2   .   .   .   .   .   .   .   .   .   30   .   HB#    parsed_1qk6   1   
        136   1   1   .   .   .   .   .   .   .   .   .   30   .   HN     parsed_1qk6   1   
        136   1   2   .   .   .   .   .   .   .   .   .   30   .   HA     parsed_1qk6   1   
        137   1   1   .   .   .   .   .   .   .   .   .   30   .   HN     parsed_1qk6   1   
        137   1   2   .   .   .   .   .   .   .   .   .   30   .   HG#    parsed_1qk6   1   
        138   1   1   .   .   .   .   .   .   .   .   .   31   .   HD1    parsed_1qk6   1   
        138   1   2   .   .   .   .   .   .   .   .   .   31   .   HA     parsed_1qk6   1   
        139   1   1   .   .   .   .   .   .   .   .   .   31   .   HN     parsed_1qk6   1   
        139   1   2   .   .   .   .   .   .   .   .   .   31   .   HE3    parsed_1qk6   1   
        140   1   1   .   .   .   .   .   .   .   .   .   32   .   HA     parsed_1qk6   1   
        140   1   2   .   .   .   .   .   .   .   .   .   32   .   HB#    parsed_1qk6   1   
        141   1   1   .   .   .   .   .   .   .   .   .   32   .   HN     parsed_1qk6   1   
        141   1   2   .   .   .   .   .   .   .   .   .   32   .   HG#    parsed_1qk6   1   
        142   1   1   .   .   .   .   .   .   .   .   .   33   .   HA     parsed_1qk6   1   
        142   1   2   .   .   .   .   .   .   .   .   .   33   .   HG#    parsed_1qk6   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   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
          2   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
          3   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
          4   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
          5   1   .   .   .   .   .   5.0     1.8   7.0   parsed_1qk6   1   
          6   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
          7   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
          8   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
          9   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
         10   1   .   .   .   .   .   5.0     1.8   7.0   parsed_1qk6   1   
         11   1   .   .   .   .   .   3.3     1.8   4.3   parsed_1qk6   1   
         12   1   .   .   .   .   .   5.0     1.8   9.8   parsed_1qk6   1   
         13   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         14   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         15   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         16   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
         17   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
         18   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
         19   1   .   .   .   .   .   3.3     1.8   5.7   parsed_1qk6   1   
         20   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
         21   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
         22   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
         23   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
         24   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         25   1   .   .   .   .   .   5.0     1.8   8.4   parsed_1qk6   1   
         26   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         27   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
         28   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         29   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
         30   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
         31   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
         32   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
         33   1   .   .   .   .   .   2.7     1.8   4.7   parsed_1qk6   1   
         34   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
         35   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
         36   1   .   .   .   .   .   5       5.0   8.2   parsed_1qk6   1   
         37   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         38   1   .   .   .   .   .   2.7     1.8   4.7   parsed_1qk6   1   
         39   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         40   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         41   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
         42   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
         43   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         44   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         45   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
         46   1   .   .   .   .   .   3.3     1.8   4.3   parsed_1qk6   1   
         47   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         48   1   .   .   .   .   .   5.0     1.8   9.8   parsed_1qk6   1   
         49   1   .   .   .   .   .   5.0     1.8   9.8   parsed_1qk6   1   
         50   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         51   1   .   .   .   .   .   3.3     1.8   5.7   parsed_1qk6   1   
         52   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         53   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
         54   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         55   1   .   .   .   .   .   3.3     1.8   4.3   parsed_1qk6   1   
         56   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
         57   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
         58   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         59   1   .   .   .   .   .   3.3     1.8   4.3   parsed_1qk6   1   
         60   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         61   1   .   .   .   .   .   3.3     1.8   4.3   parsed_1qk6   1   
         62   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         63   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         64   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
         65   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         66   1   .   .   .   .   .   2.7     1.8   4.7   parsed_1qk6   1   
         67   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         68   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         69   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         70   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
         71   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         72   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         73   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
         74   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         75   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         76   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         77   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         78   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         79   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         80   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         81   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         82   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         83   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         84   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         85   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         86   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
         87   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         88   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
         89   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
         90   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
         91   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
         92   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
         93   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
         94   1   .   .   .   .   .   3.3     1.8   5.7   parsed_1qk6   1   
         95   1   .   .   .   .   .   3.3     1.8   5.7   parsed_1qk6   1   
         96   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
         97   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
         98   1   .   .   .   .   .   2.7     1.8   5.1   parsed_1qk6   1   
         99   1   .   .   .   .   .   2.7     1.8   6.1   parsed_1qk6   1   
        100   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        101   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   1   
        102   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        103   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        104   1   .   .   .   .   .   3.0    -0.2   4.0   parsed_1qk6   1   
        105   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
        106   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
        107   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        108   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        109   1   .   .   .   .   .   2.7     1.8   4.7   parsed_1qk6   1   
        110   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        111   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
        112   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        113   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
        114   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        115   1   .   .   .   .   .   3.3     1.8   3.3   parsed_1qk6   1   
        116   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        117   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        118   1   .   .   .   .   .   2.7     1.8   4.7   parsed_1qk6   1   
        119   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        120   1   .   .   .   .   .   2.7     1.8   2.7   parsed_1qk6   1   
        121   1   .   .   .   .   .   3.3     1.8   5.7   parsed_1qk6   1   
        122   1   .   .   .   .   .   2.7     1.8   5.1   parsed_1qk6   1   
        123   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        124   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        125   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        126   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        127   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        128   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
        129   1   .   .   .   .   .   3.3   -11.7   3.3   parsed_1qk6   1   
        130   1   .   .   .   .   .   3.3     1.8   5.3   parsed_1qk6   1   
        131   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        132   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        133   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        134   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        135   1   .   .   .   .   .   2.7     1.8   3.7   parsed_1qk6   1   
        136   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        137   1   .   .   .   .   .   5.0     1.8   6.0   parsed_1qk6   1   
        138   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        139   1   .   .   .   .   .   5.0     1.8   5.0   parsed_1qk6   1   
        140   1   .   .   .   .   .   3.3     1.8   4.3   parsed_1qk6   1   
        141   1   .   .   .   .   .   3.3     1.8   4.3   parsed_1qk6   1   
        142   1   .   .   .   .   .   5.0     1.8   7.4   parsed_1qk6   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   "56 long range NOE constraints"      1   1     1   32   parsed_1qk6   1   
         2   "82 Sequential NOE constraints"     90   1    90   32   parsed_1qk6   1   
         3   
;
129 intra-residues NOE constraints
Cys-2
;
   181   1   182    8   parsed_1qk6   1   
         4    Lys-3                             185   1   185    8   parsed_1qk6   1   
         5    Gly-4                             191   1   191    8   parsed_1qk6   1   
         6    Val-5                             193   1   193    8   parsed_1qk6   1   
         7    Phe-6                             199   1   199    8   parsed_1qk6   1   
         8    Pro-11                            222   1   222    9   parsed_1qk6   1   
         9    Cys-17                            251   1   251    9   parsed_1qk6   1   
        10    Val-21                            269   1   269    9   parsed_1qk6   1   
        11    Lys-30                            314   1   314    9   parsed_1qk6   1   
        12    Lys-32                            331   1   331    9   parsed_1qk6   1   
    stop_


    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

          1   "assign (resid  6 and name HN  ) (resid 28 and name HB# ) 5.0 3.2 l.0"                                                                             3    1     3   68   parsed_1qk6   1   
          2   "assign (resid  8 and name HA  ) (resid 28 and name HB# ) 3.3 l.5 l.0"                                                                             6    1     6   68   parsed_1qk6   1   
          3   "assign (resid  8 and name HB# ) (resid 28 and name HA  ) 3.3 1.5 l.0"                                                                             7    1     7   68   parsed_1qk6   1   
          4   "assign (resid 12 and name HN  ) (resid 22 and name HB# ) 5.0 3.2 l.0"                                                                            15    1    15   68   parsed_1qk6   1   
          5   "assign (resid 17 and name HN  ) (resid  2 and name HB# ) 3.3 l.5 l.0"                                                                            18    1    18   68   parsed_1qk6   1   
          6   "assign (resid 17 and namellN  ) (resid  3 and name HB# ) 5.0 3.2 l.0"                                                                            19    1    19   68   parsed_1qk6   1   
          7   "assign (resid 20 and name HD# ) (resid  5 and name HG# ) 3.3 l.5 3.4"                                                                            20    1    20   68   parsed_1qk6   1   
          8   "assign (resid 20 and name HG# ) (resid  5 and name HG# ) 3.3 l.5 3.4"                                                                            21    1    21   68   parsed_1qk6   1   
          9   "assign (resid 21 and name HN  ) (resid 30 and name HD# ) 5.0 3.2 l.0"                                                                            24    1    24   68   parsed_1qk6   1   
         10   "assign (resid 23 and name HN  ) (resid 30 and name HD# ) 5.0 3.2 l.0"                                                                            29    1    29   68   parsed_1qk6   1   
         11   "assign (resid 23 and name HN  ) (resid 30 and name HG# ) 5.0 3.2 l.0"                                                                            30    1    30   68   parsed_1qk6   1   
         12   "assign (resid 24 and name HA  ) (resid 11 and name HB# ) 5.0 3.2 l.0"                                                                            31    1    31   68   parsed_1qk6   1   
         13   "assign (resid 24 and name HA  ) (resid 11 and name HG# ) 3.3 l.5 1.0"                                                                            32    1    32   68   parsed_1qk6   1   
         14   "assign (resid 28 and name HD1 ) (resid  6 and name HA  ) 3.3 l.5 0.0"                                                                            33    1    33   68   parsed_1qk6   1   
         15   "assign (resid 28 and name HD1 ) (resid 23 and name HB# ) 3.3 l.5 l.0"                                                                            36    1    36   68   parsed_1qk6   1   
         16   "assign (resid 28 and name HN  ) (resid 23 and name HB# ) 3.3 1.5 i.0"                                                                            39    1    39   68   parsed_1qk6   1   
         17   "assign (resid 30 and name HA  ) (resid  5 and name HG# ) 3.3 l.5 2.4"                                                                            41    1    41   68   parsed_1qk6   1   
         18   "assign (resid 31 and name HA  ) (resid 20 and name HG# ) 3.3 1.5 l.0"                                                                            47    1    47   68   parsed_1qk6   1   
         19   "assign (resid 31 and name HD1 ) (resid  5 and name HG# ) 3.3 l.5 2.4"                                                                            49    1    49   68   parsed_1qk6   1   
         20   "assign (resid 31 and name HE1 ) (resid  5 and name HG# ) 3.3 l.5 2.4"                                                                            51    1    51   68   parsed_1qk6   1   
         21   "assign (resid 31 and name HE3 ) (resid 19 and name HB# ) 3.3 l.5 l.0"                                                                            53    1    53   68   parsed_1qk6   1   
         22   "assign (resid 31 and name HE3 ) (resid 20 and name HG# ) 3.3 l.5 l.0"                                                                            55    1    55   68   parsed_1qk6   1   
         23   "assign (resid 31 and name HZ3 ) (resid 19 and name HB# ) 3.3 1.5 l.0"                                                                            60    1    60   68   parsed_1qk6   1   
         24   "assign (resid 32 and name HA  ) (resid 21 and name HG# ) 3.3 l.5 2.4"                                                                            61    1    61   68   parsed_1qk6   1   
         25   "assign (resid 32 and name HN  ) (resid 20 and name HG# ) 5.0 3.2 l.0"                                                                            62    1    62   68   parsed_1qk6   1   
         26   "assign (resid  4 and name HN  ) (resid  7 and name HB# ) 3.3 1.5 l.0"                                                                            65    1    65   68   parsed_1qk6   1   
         27   "assign (resid 10 and name HB  ) (resid 13 and name HD# ) 3.3 1.5 l.0"                                                                            69    1    69   68   parsed_1qk6   1   
         28   "assign (resid 10 and name HB  ) (resid 13 and name HG# ) 2.7 0.9 l.0"                                                                            70    1    70   68   parsed_1qk6   1   
         29                                                                         1.0    72   66    72   68   parsed_1qk6   1   
         30   "assign (resid 10 and name HN  ) (resid 13 and name HG# ) 5.0 3.2 l.0"                                                                            73    1    73   68   parsed_1qk6   1   
         31   "assign (resid 13 and name HN  ) (resid 10 and name HG2#) 5.0 3.2 l.0"                                                                            76    1    76   68   parsed_1qk6   1   
         32   "assign (resid 13 and name HN  ) (resid 11 and name HA  ) 3.3 l.5 0.0"                                                                            77    1    77   68   parsed_1qk6   1   
         33   "assign (resid 28 and name HD1 ) (resid 26 and name HB# ) 5.0 3.2 l.0"                                                                            80    1    80   68   parsed_1qk6   1   
         34   "assign (resid 28 and name HD1 ) (resid 30 and name HB# ) 3.3 l.5 1.0"                                                                            82    1    82   68   parsed_1qk6   1   
         35   "assign (resid 28 and name HD1 ) (resid 30 and name HD# ) 5.0 3.2 l.0"                                                                            83    1    83   68   parsed_1qk6   1   
         36   "assign (resid 28 and name HD1 ) (resid 30 and name HG# ) 3.3 l.5 l.0"                                                                            84    1    84   68   parsed_1qk6   1   
         37   "assign (resid 28 and name HE1 ) (resid 30 and name HD# ) 5.0 3.2 l.0"                                                                            87    1    87   68   parsed_1qk6   1   
         38   "assign (resid 33 and name gy  ) (resid 31 and name HB# ) 5.0 3.2 l.0"                                                                            89    1    89   68   parsed_1qk6   1   
         39   "assign (resid  5 and name HN  ) (resid  4 and name HA# ) 2.7 0.9 l.0"                                                                            96    1    96   68   parsed_1qk6   1   
         40   "assign (resid  6 and name HN  ) (resid  5 and name HB  ) 3.3 l.5 0.0"                                                                           100    1   100   68   parsed_1qk6   1   
         41   "assign (resid  7 and name HN  ) (resid  6 and name HA  ) 3.3 l.5 0.0"                                                                           105    1   105   68   parsed_1qk6   1   
         42   "assign (resid  7 and name HN  ) (resid  6 and name HB# ) 5.0 3.2 l.0"                                                                           106    1   106   68   parsed_1qk6   1   
         43   "assign (resid  8 and name HN  ) (resid  7 and name HB# ) 3.3 l.5 1.0"                                                                           108    1   108   68   parsed_1qk6   1   
         44   "assign (resid 10 and name HA  ) (resid 11 and name HG# ) 3.3 l.5 1.0"                                                                           111    1   111   68   parsed_1qk6   1   
         45   "assign (resid 12 and name HN  ) (resid 11 and name HG# ) 5.0 3.2 l.0"                                                                           116    1   116   68   parsed_1qk6   1   
         46   "assign (resid 14 and name HN  ) (resid 13 and name HA  ) 3.3 l.5 0.0"                                                                           119    1   119   68   parsed_1qk6   1   
         47   "assign (resid 14 and name HN  ) (resid 13 and name HB# ) 3.3 1.5 l.0"                                                                           120    1   120   68   parsed_1qk6   1   
         48   "assign (resid 14 and name HN  ) (resid 13 and name HD# ) 5.0 3.2 l.0"                                                                           121    1   121   68   parsed_1qk6   1   
         49   "assign (resid 14 and name HN  ) (resid 13 and name HG# ) 5.0 3.2 l.0"                                                                           122    1   122   68   parsed_1qk6   1   
         50   "assign (resid 16 and name HN  ) (resid 15 and name HB# ) 5.0 3.2 l.0"                                                                           126    1   126   68   parsed_1qk6   1   
         51   "assign (resid 17 and name HA  ) (resid 18 and name HD# ) 3.3 l.5 l.0"                                                                           128    1   128   68   parsed_1qk6   1   
         52   "assign (resid 17 and name HN  ) (resid 16 and name HB# ) 5.0 3.2 l.0"                                                                           129    1   129   68   parsed_1qk6   1   
         53   "assign (resid 17 and name HN  ) (resid 18 and name HD# ) 5.0 3.2 l.0"                                                                           131    1   131   68   parsed_1qk6   1   
         54   "assign (resid 19 and name HN  ) (resid 18 and name HB# ) 3.3 1.5 l.0"                                                                           133    1   133   68   parsed_1qk6   1   
         55   "assign (resid 19 and name HN  ) (resid 18 and name HG# ) 5.0 3.2 l.0"                                                                           135    1   135   68   parsed_1qk6   1   
         56   "assign (resid 20 and name HH# ) (resid 19 and name HB# ) 3.3 l.5 3.4"                                                                           137    1   137   68   parsed_1qk6   1   
         57   "assign (resid 20 and name HN  ) (resid 19 and name HA  ) 3.3 l.5 0.0"                                                                           138    1   138   68   parsed_1qk6   1   
         58   "assign (resid 20 and name HN  ) (resid 19 and name HB# ) 5.0 3.2 l.0"                                                                           139    1   139   68   parsed_1qk6   1   
         59   "assign (resid 21 and name HN  ) (resid 20 and name HB# ) 2.7 0.9 l.0"                                                                           140    1   140   68   parsed_1qk6   1   
         60   "assign (resid 23 and nanie HN ) (resid 22 and name HA  ) 2.7 0.9 0.0"                                                                           146    1   146   68   parsed_1qk6   1   
         61   "assign (resid 23 and name HN  ) (resid 22 and name HB# ) 5.0 3.2 l.0"                                                                           147    1   147   68   parsed_1qk6   1   
         62   "assign (resid 25 and name HN  ) (resid 24 and name HB# ) 3.3 l.5 l.0"                                                                           153    1   153   68   parsed_1qk6   1   
         63   "assign (resid 26 and name HN  ) (resid 25 and name HB# ) 3.3 l.5 1.0"                                                                           157    1   157   68   parsed_1qk6   1   
         64   "assign (resid 28 and name HN  ) (resid 27 and name HA  ) 3.3 l.5 0.0"                                                                           162    1   162   68   parsed_1qk6   1   
         65   "assign (resid 29 and name HN  ) (resid 28 and name HB# ) 2.7 0.9 l.0"                                                                           164    1   164   68   parsed_1qk6   1   
         66   "assign (resid 30 and name HN  ) (resid 29 and name HB# ) 5.0 3.2 l.0"                                                                           166    1   166   68   parsed_1qk6   1   
         67   "assign (resid 31 and name HN  ) (resid 30 and name HB# ) 3.3 l.5 l.0"                                                                           170    1   170   68   parsed_1qk6   1   
         68   "assign (resid 31 and name gy  ) (resid 30 and name HD# ) 3.3 l.5 1.0"                                                                           171    1   171   68   parsed_1qk6   1   
         69   "assign (resid 31 and name HN  ) (resid 32 and name HG# ) 5.0 3.2 l.0"                                                                           172    1   172   68   parsed_1qk6   1   
         70   "assign (resid 32 and name HN  ) (resid 31 and name HB# ) 2.7 0.9 l.0"                                                                           174    1   174   68   parsed_1qk6   1   
         71   "assign (resid 32 and name HN  ) (resid 33 and name HN  ) 3.3 l.5 0.0"                                                                           176    1   176   68   parsed_1qk6   1   
         72   "assign (resid 33 and name HN  ) (resid 32 and name HA  ) 3.3 l.5 0.0"                                                                           177    1   177   68   parsed_1qk6   1   
         73   "assign (resid 33 and name AN  ) (resid 32 and name HB# ) 3.3 l.5 l.0"                                                                           179    1   179   68   parsed_1qk6   1   
         74   "assign (resid 33 and name HN  ) (resid 32 and name HG# ) 3.3 l.5 l.0"                                                                           180    1   180   68   parsed_1qk6   1   
         75   "assign (resid  2 and name HN  ) (resid  2 and name HB# ) 3.3 l.5 1.0"                                                                           184    1   184   68   parsed_1qk6   1   
         76   "assign (resid  3 and name HA  ) (resid  3 and name HG# ) 3.3 1.5 l.0"                                                                           187    1   187   68   parsed_1qk6   1   
         77   "assign (resid  3 and name HN  ) (resid  3 and name HB# ) 3.3 l.5 1.0"                                                                           189    1   189   68   parsed_1qk6   1   
         78   "assign (resid  3 and name HN  ) (resid  3 and name HG# ) 3.3 1.5 l.0"                                                                           190    1   190   68   parsed_1qk6   1   
         79   "assign (resid  6 and name HA  ) (resid  6 and name HB# ) 3.3 l.5 1.0"                                                                           202    1   202   68   parsed_1qk6   1   
         80   "assign (resid  6 and name HN  ) (resid  6 and name HB# ) 3.3 1.5 l.0"                                                                           204    1   204   68   parsed_1qk6   1   
         81   "assign (resid  7 and name HA  ) (resid  7 and name HB# ) 2.7 0.9 l.0"                                                                           207    1   207   68   parsed_1qk6   1   
         82   "assign (resid  8 and name HA  ) (resid  8 and name HB# ) 2.7 0.9 l.0"                                                                           211    1   211   68   parsed_1qk6   1   
         83   "assign (resid  8 and name HN  ) (resid  8 and name HB# ) 2.7 0.9 l.0"                                                                           212    1   212   68   parsed_1qk6   1   
         84   "assign (resid  9 and name HA  ) (resid  9 and name HB# ) 3.3 l.5 1.0"                                                                           214    1   214   68   parsed_1qk6   1   
         85   "assign (resid 10 and name HA  ) (resid 10 and name HB  ) 3.3 l.5 0.0"                                                                           217    1   217   68   parsed_1qk6   1   
         86   "assign (resid 10 and name HA  ) (resid 10 and name HG2#) 3.3 l.5 l.0"                                                                           218    1   218   68   parsed_1qk6   1   
         87   "assign (resid 11 and name HA  ) (resid 11 and name HG# ) 5.0 3.2 l.0"                                                                           224    1   224   68   parsed_1qk6   1   
         88   "assign (resid 11 and name HD# ) (resid 11 and name HB# ) 3.3 l.5 2.0"                                                                           225    1   225   68   parsed_1qk6   1   
         89   "assign (resid 12 and name HN  ) (resid 12 and name HA# ) 2.7 0.9 l.0"                                                                           228    1   228   68   parsed_1qk6   1   
         90   "assign (resid 13 and name HA  ) (resid 13 and name HB# ) 2.7 0.9 l.0"                                                                           230    1   230   68   parsed_1qk6   1   
         91   "assign (resid 13 and name HA  ) (resid 13 and name HG# ) 3.3 1.5 l.0"                                                                           231    1   231   68   parsed_1qk6   1   
         92   "assign (resid 13 and name HN  ) (resid 13 and name HG# ) 3.3 l.5 l.0"                                                                           235    1   235   68   parsed_1qk6   1   
         93   "assign (resid 14 and name HA  ) (resid 14 and name HB# ) 2.7 0.9 l.0"                                                                           238    1   238   68   parsed_1qk6   1   
         94   "assign (resid 14 and name HN  ) (resid 14 and name HA  ) 3.3 l.5 0.0"                                                                           239    1   239   68   parsed_1qk6   1   
         95   "assign (resid 14 and name HN  ) (resid 14 and name HB# ) 2.7 0.9 l.0"                                                                           240    1   240   68   parsed_1qk6   1   
         96   "assign (resid 15 and name HA  ) (resid 15 and name HG# ) 2.7 0.9 l.0"                                                                           242    1   242   68   parsed_1qk6   1   
         97   "assign (resid 15 and name HN  ) (resid 15 and name HG# ) 2.7 0.9 l.0"                                                                           245    1   245   68   parsed_1qk6   1   
         98   "assign (resid 15 and name HN  ) (resid 15 and name HB# ) 5.0 3.2 l.0"                                                                           246    1   246   68   parsed_1qk6   1   
         99   "assign (resid 16 and name HA  ) (resid 16 and name HB# ) 2.7 0.9 l.0"                                                                           248    1   248   68   parsed_1qk6   1   
        100   "assign (resid 16 and name HN  ) (resid 16 and name HB# ) 3.3 l.5 l.0"                                                                           250    1   250   68   parsed_1qk6   1   
        101   "assign (resid 17 and name HN  ) (resid 17 and name HB# ) 3.3 l.5 0.0"                                                                           253    1   253   68   parsed_1qk6   1   
        102   "assign (resid 17 and name gy  ) (resid 17 and name HB# ) 3.3 l.5 1.0"                                                                           254    1   254   68   parsed_1qk6   1   
        103   "assign (resid 18 and name HA  ) (resid 18 and name HB# ) 2.7 0.9 l.0"                                                                           256    1   256   68   parsed_1qk6   1   
        104   "assign (resid 18 and name HA  ) (resid 18 and name HG# ) 3.3 l.5 l.0"                                                                           257    1   257   68   parsed_1qk6   1   
        105   "assign (resid 18 and name HD# ) (resid 18 and name HB# ) 3.3 l.5 2.0"                                                                           259    1   259   68   parsed_1qk6   1   
        106   "assign (resid 19 and name HA  ) (resid 19 and name HB# ) 2.7 0.9 l.0"                                                                           261    1   261   68   parsed_1qk6   1   
        107   "assign (resid 20 and name HA  ) (resid 20 and name HB# ) 3.3 l.5 l.0"                                                                           264    1   264   68   parsed_1qk6   1   
        108   "assign (resid 20 and name HB# ) (resid 20 and name HG# ) 3.3 l.5 2.0"                                                                           265    1   265   68   parsed_1qk6   1   
        109   "assign (resid 20 and name HG# ) (resid 20 and name HD# ) 3.3 l.5 2.0"                                                                           266    1   266   68   parsed_1qk6   1   
        110   "assign (resid 20 and name HN  ) (resid 20 and name HB# ) 2.7 0.9 l.0"                                                                           267    1   267   68   parsed_1qk6   1   
        111   "assign (resid 20 and name HN  ) (resid 20 and name HG# ) 3.3 l.5 l.0"                                                                           268    1   268   68   parsed_1qk6   1   
        112   "assign (resid 21 and name HN  ) (resid 21 and name HG# ) 3.3 l.5 2.4"                                                                           274    1   274   68   parsed_1qk6   1   
        113   "assign (resid 22 and name HA  ) (resid 22 and name HB# ) 2.7 0.9 l.0"                                                                           276    1   276   68   parsed_1qk6   1   
        114   "assign (resid 23 and name HA  ) (resid 23 and name HB# ) 2.7 0.9 l.0"                                                                           280    1   280   68   parsed_1qk6   1   
        115   "assign (resid 23 and name HN  ) (resid 23 and name HA  ) 3.3 l.5 0.0"                                                                           281    1   281   68   parsed_1qk6   1   
        116   "assign (resid 23 and name HN  ) (resid 23 and name HB# ) 2.7 0.9 l.0"                                                                           282    1   282   68   parsed_1qk6   1   
        117   "assign (resid 24 and name HA  ) (resid 24 and name HB# ) 2.7 0.9 l.0"                                                                           284    1   284   68   parsed_1qk6   1   
        118   "assign (resid 24 and name HN  ) (resid 24 and name HA  ) 3.3 l.5 0.0"                                                                           285    1   285   68   parsed_1qk6   1   
        119   "assign (resid 24 and name HN  ) (resid 24 and name HB# ) 2.7 0.9 l.0"                                                                           286    1   286   68   parsed_1qk6   1   
        120   "assign (resid 25 and name HA  ) (resid 25 and name HB# ) 2.7 0.9 l.0"                                                                           288    1   288   68   parsed_1qk6   1   
        121   "assign (resid 25 and name HA  ) (resid 25 and name HG# ) 3.3 l.5 1.0"                                                                           289    1   289   68   parsed_1qk6   1   
        122   "assign (resid 26 and name HA  ) (resid 26 and name HB# ) 2.7 0.9 l.0"                                                                           294    1   294   68   parsed_1qk6   1   
        123   "assign (resid 26 and name HN  ) (resid 26 and name HB# ) 3.3 l.5 l.0"                                                                           296    1   296   68   parsed_1qk6   1   
        124   "assign (resid 27 and name HA  ) (resid 27 and name HB# ) 2.7 0.9 l.0"                                                                           298    1   298   68   parsed_1qk6   1   
        125   "assign (resid 27 and name HN  ) (resid 27 and name HB# ) 3.3 l.5 l.0"                                                                           301    1   301   68   parsed_1qk6   1   
        126   "assign (resid 27 and name HN  ) (resid 27 and name HD# ) 5.0 3.2 l.0"                                                                           302    1   302   68   parsed_1qk6   1   
        127   "assign (resid 27 and name HN  ) (resid 27 and name HG# ) 3.3 l.5 l.0"                                                                           303    1   303   68   parsed_1qk6   1   
        128   "assign (resid 28 and name HE3 ) (resid 28 and name HB# ) 3.3 l.5 l.0"                                                                           305    1   305   68   parsed_1qk6   1   
        129   "assjgn (resid 28 and name HD1 ) (resid 28 and name HB# ) 5.0 3.2 l.0"                                                                           307    1   307   68   parsed_1qk6   1   
        130   "assign (resid 28 and name As  ) (resid 28 and name HB# ) 2.7 0.9 l.0"                                                                           308    1   308   68   parsed_1qk6   1   
        131   "assign (resid 29 and name HA  ) (resid 29 and name HB# ) 3.3 1.5 l.0"                                                                           312    1   312   68   parsed_1qk6   1   
        132   "assign (resid 29 and name HN  ) (resid 29 and name HB# ) 2.7 0.9 l.0"                                                                           313    1   313   68   parsed_1qk6   1   
        133   "assign (rbsid 30 and name HN  ) (resid 30 and name HB# ) 5.0 3.2 l.0"                                                                           317    1   317   68   parsed_1qk6   1   
        134   "assign (resid 30 and name HN  ) (resid 30 and name HD# ) 5.0 3.2 l.0"                                                                           318    1   318   68   parsed_1qk6   1   
        135   "assign (resid 31 and name HE3 ) (resid 31 and name HA  ) 3.3 l.5 0.0"                                                                           321    1   321   68   parsed_1qk6   1   
        136   "assign (resid 31 and name HE3 ) (resid 31 and name HB# ) 3.3 l.5 l.0"                                                                           322    1   322   68   parsed_1qk6   1   
        137   "assign (resid 31 and name HD1 ) (resid 31 and name HB# ) 3.3 l.5 l.0"                                                                           323    1   323   68   parsed_1qk6   1   
        138   "assign (resid 31 and name HA  ) (resid 31 and name HB# ) 2.7 0.9 l.0"                                                                           325    1   325   68   parsed_1qk6   1   
        139   "assign (resid 31 and name HE1 ) (resid 31 and name HB# ) 5.0 3.2 l.0"                                                                           326    1   326   68   parsed_1qk6   1   
        140   "assign (resid 31 and name HN  ) (resid 31 and name HA  ) 3.3 l.5 0.0"                                                                           327    1   327   68   parsed_1qk6   1   
        141   "assign (resid 31 and name HN  ) (resid 31 and name HB# ) 2.7 0.9 l.0"                                                                           328    1   328   68   parsed_1qk6   1   
        142   "assign (resid 31 and name HN  ) (resid 31 and name HD1 ) 3.3 l.5 0.0"                                                                           330    1   330   68   parsed_1qk6   1   
        143   "assign (resid 32 and name HA  ) (resid 32 and name HG# ) 3.3 l.5 l.0"                                                                           333    1   333   68   parsed_1qk6   1   
        144   "assign (resid 32 and name HN  ) (resid 32 and name HA  ) 3.3 l.5 0.0"                                                                           334    1   334   68   parsed_1qk6   1   
        145   "assign (resid 32 and name HN  ) (resid 32 and name HB# ) 2.7 0.9 l.0"                                                                           335    1   335   68   parsed_1qk6   1   
        146   "assign (resid 33 and name HA  ) (resid 33 and name HB# ) 3.3 l.5 l.0"                                                                           338    1   338   68   parsed_1qk6   1   
        147   "assign (resid 33 and name HN  ) (resid 33 and name HA  ) 3.3 l.5 0.0"                                                                           340    1   340   68   parsed_1qk6   1   
        148   "assign (resid 33 and name HN  ) (resid 33 and name HB# ) 5.0 3.2 l.0"                                                                           341    1   341   68   parsed_1qk6   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1qk6 
    _Distance_constraint_list.ID                  2 
    _Distance_constraint_list.Constraint_type    "disulfide bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

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

        1   1   .   .   .   parsed_1qk6   2   
        2   1   .   .   .   parsed_1qk6   2   
        3   1   .   .   .   parsed_1qk6   2   
        4   1   .   .   .   parsed_1qk6   2   
        5   1   .   .   .   parsed_1qk6   2   
        6   1   .   .   .   parsed_1qk6   2   
        7   1   .   .   .   parsed_1qk6   2   
        8   1   .   .   .   parsed_1qk6   2   
        9   1   .   .   .   parsed_1qk6   2   
    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   .   SG   parsed_1qk6   2   
        1   1   2   .   .   .   .   .   .   .   .   .   17   .   SG   parsed_1qk6   2   
        2   1   1   .   .   .   .   .   .   .   .   .    9   .   SG   parsed_1qk6   2   
        2   1   2   .   .   .   .   .   .   .   .   .   22   .   SG   parsed_1qk6   2   
        3   1   1   .   .   .   .   .   .   .   .   .   16   .   SG   parsed_1qk6   2   
        3   1   2   .   .   .   .   .   .   .   .   .   29   .   SG   parsed_1qk6   2   
        4   1   1   .   .   .   .   .   .   .   .   .    2   .   SG   parsed_1qk6   2   
        4   1   2   .   .   .   .   .   .   .   .   .   l7   .   CB   parsed_1qk6   2   
        5   1   1   .   .   .   .   .   .   .   .   .    9   .   SG   parsed_1qk6   2   
        5   1   2   .   .   .   .   .   .   .   .   .   22   .   CB   parsed_1qk6   2   
        6   1   1   .   .   .   .   .   .   .   .   .   16   .   SG   parsed_1qk6   2   
        6   1   2   .   .   .   .   .   .   .   .   .   29   .   CB   parsed_1qk6   2   
        7   1   1   .   .   .   .   .   .   .   .   .   17   .   SG   parsed_1qk6   2   
        7   1   2   .   .   .   .   .   .   .   .   .    2   .   CB   parsed_1qk6   2   
        8   1   1   .   .   .   .   .   .   .   .   .   22   .   SG   parsed_1qk6   2   
        8   1   2   .   .   .   .   .   .   .   .   .    9   .   CB   parsed_1qk6   2   
        9   1   1   .   .   .   .   .   .   .   .   .   29   .   SG   parsed_1qk6   2   
        9   1   2   .   .   .   .   .   .   .   .   .   16   .   CB   parsed_1qk6   2   
    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   .   .   .   .   .   2.02   2.00   2.04   parsed_1qk6   2   
        2   1   .   .   .   .   .   2.02   2.00   2.04   parsed_1qk6   2   
        3   1   .   .   .   .   .   2.02   2.00   2.04   parsed_1qk6   2   
        4   1   .   .   .   .   .   2.99   2.49   3.49   parsed_1qk6   2   
        5   1   .   .   .   .   .   2.99   2.49   3.49   parsed_1qk6   2   
        6   1   .   .   .   .   .   2.99   2.49   3.49   parsed_1qk6   2   
        7   1   .   .   .   .   .   2.99   2.49   3.49   parsed_1qk6   2   
        8   1   .   .   .   .   .   2.99   2.49   3.49   parsed_1qk6   2   
        9   1   .   .   .   .   .   2.99   2.49   3.49   parsed_1qk6   2   
    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   "9 disulphide bonds fake NOE"    1   1   1   30   parsed_1qk6   2   
    stop_

save_





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