NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype item_count
35128 1l1k 5293 cing 2-parsed STAR entry full 76


data_1l1k_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1l1k 
    _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_1l1k   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1l1k 
    _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   1l1k   "Master copy"    parsed_1l1k   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1l1k 
    _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   1l1k.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_1l1k   1   
        1   1l1k.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             76   parsed_1l1k   1   
        1   1l1k.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1l1k   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_1l1k 
    _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    PROTEIN BINDING                         18-FEB-02   1L1K              
*TITLE     NMR IDENTIFICATION AND CHARACTERIZATION OF THE FLEXIBLE               
*TITLE    2 REGIONS IN THE 160 KD MOLTEN GLOBULE-LIKE AGGREGATE OF               
*TITLE    3 BARSTAR AT LOW PH                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BARSTAR;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FLEXIBLE REGION (RESIDUES 1-20);                           
*COMPND   5 SYNONYM: RIBONUCLEASE INHIBITOR;                                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS;                     
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: BARSTAR;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: MM294;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PMT316                                    
*KEYWDS    BARSTAR, LOW PH, 160 KD, AGGREGATE, NMR                               
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    J.JUNEJA, N.S.BHAVESH, J.B.UDGAOKAR, R.V.HOSUR                        
*REVDAT   1   04-DEC-02 1L1K    0                                                

;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1l1k 
    _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_1l1k   1   
         2   1   .   .   .   parsed_1l1k   1   
         3   1   .   .   .   parsed_1l1k   1   
         4   1   .   .   .   parsed_1l1k   1   
         5   1   .   .   .   parsed_1l1k   1   
         6   1   .   .   .   parsed_1l1k   1   
         7   1   .   .   .   parsed_1l1k   1   
         8   1   .   .   .   parsed_1l1k   1   
         9   1   .   .   .   parsed_1l1k   1   
        10   1   .   .   .   parsed_1l1k   1   
        11   1   .   .   .   parsed_1l1k   1   
        12   1   .   .   .   parsed_1l1k   1   
        13   1   .   .   .   parsed_1l1k   1   
        14   1   .   .   .   parsed_1l1k   1   
        15   1   .   .   .   parsed_1l1k   1   
        16   1   .   .   .   parsed_1l1k   1   
        17   1   .   .   .   parsed_1l1k   1   
        18   1   .   .   .   parsed_1l1k   1   
        19   1   .   .   .   parsed_1l1k   1   
        20   1   .   .   .   parsed_1l1k   1   
        21   1   .   .   .   parsed_1l1k   1   
        22   1   .   .   .   parsed_1l1k   1   
        23   1   .   .   .   parsed_1l1k   1   
        24   1   .   .   .   parsed_1l1k   1   
        25   1   .   .   .   parsed_1l1k   1   
        26   1   .   .   .   parsed_1l1k   1   
        27   1   .   .   .   parsed_1l1k   1   
        28   1   .   .   .   parsed_1l1k   1   
        29   1   .   .   .   parsed_1l1k   1   
        30   1   .   .   .   parsed_1l1k   1   
        31   1   .   .   .   parsed_1l1k   1   
        32   1   .   .   .   parsed_1l1k   1   
        33   1   .   .   .   parsed_1l1k   1   
        34   1   .   .   .   parsed_1l1k   1   
        35   1   .   .   .   parsed_1l1k   1   
        36   1   .   .   .   parsed_1l1k   1   
        37   1   .   .   .   parsed_1l1k   1   
        38   1   .   .   .   parsed_1l1k   1   
        39   1   .   .   .   parsed_1l1k   1   
        40   1   .   .   .   parsed_1l1k   1   
        41   1   .   .   .   parsed_1l1k   1   
        42   1   .   .   .   parsed_1l1k   1   
        43   1   .   .   .   parsed_1l1k   1   
        44   1   .   .   .   parsed_1l1k   1   
        45   1   .   .   .   parsed_1l1k   1   
        46   1   .   .   .   parsed_1l1k   1   
        47   1   .   .   .   parsed_1l1k   1   
        48   1   .   .   .   parsed_1l1k   1   
        49   1   .   .   .   parsed_1l1k   1   
        50   1   .   .   .   parsed_1l1k   1   
        51   1   .   .   .   parsed_1l1k   1   
        52   1   .   .   .   parsed_1l1k   1   
        53   1   .   .   .   parsed_1l1k   1   
        54   1   .   .   .   parsed_1l1k   1   
        55   1   .   .   .   parsed_1l1k   1   
        56   1   .   .   .   parsed_1l1k   1   
        57   1   .   .   .   parsed_1l1k   1   
        58   1   .   .   .   parsed_1l1k   1   
        59   1   .   .   .   parsed_1l1k   1   
        60   1   .   .   .   parsed_1l1k   1   
        61   1   .   .   .   parsed_1l1k   1   
        62   1   .   .   .   parsed_1l1k   1   
        63   1   .   .   .   parsed_1l1k   1   
        64   1   .   .   .   parsed_1l1k   1   
        65   1   .   .   .   parsed_1l1k   1   
        66   1   .   .   .   parsed_1l1k   1   
        67   1   .   .   .   parsed_1l1k   1   
        68   1   .   .   .   parsed_1l1k   1   
        69   1   .   .   .   parsed_1l1k   1   
        70   1   .   .   .   parsed_1l1k   1   
        71   1   .   .   .   parsed_1l1k   1   
        72   1   .   .   .   parsed_1l1k   1   
        73   1   .   .   .   parsed_1l1k   1   
        74   1   .   .   .   parsed_1l1k   1   
        75   1   .   .   .   parsed_1l1k   1   
        76   1   .   .   .   parsed_1l1k   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   .   .   .   .   .   .   .   .   .    1   LYS+   HN     parsed_1l1k   1   
         1   1   2   .   .   .   .   .   .   .   .   .    1   LYS+   QB     parsed_1l1k   1   
         2   1   1   .   .   .   .   .   .   .   .   .    1   LYS+   HA     parsed_1l1k   1   
         2   1   2   .   .   .   .   .   .   .   .   .    2   LYS+   HN     parsed_1l1k   1   
         3   1   1   .   .   .   .   .   .   .   .   .    2   LYS+   HN     parsed_1l1k   1   
         3   1   2   .   .   .   .   .   .   .   .   .    2   LYS+   QB     parsed_1l1k   1   
         4   1   1   .   .   .   .   .   .   .   .   .    2   LYS+   HN     parsed_1l1k   1   
         4   1   2   .   .   .   .   .   .   .   .   .    2   LYS+   QG     parsed_1l1k   1   
         5   1   1   .   .   .   .   .   .   .   .   .    2   LYS+   HA     parsed_1l1k   1   
         5   1   2   .   .   .   .   .   .   .   .   .    3   ALA    HN     parsed_1l1k   1   
         6   1   1   .   .   .   .   .   .   .   .   .    2   LYS+   QB     parsed_1l1k   1   
         6   1   2   .   .   .   .   .   .   .   .   .    3   ALA    HN     parsed_1l1k   1   
         7   1   1   .   .   .   .   .   .   .   .   .    3   ALA    HN     parsed_1l1k   1   
         7   1   2   .   .   .   .   .   .   .   .   .    3   ALA    QB     parsed_1l1k   1   
         8   1   1   .   .   .   .   .   .   .   .   .    3   ALA    HA     parsed_1l1k   1   
         8   1   2   .   .   .   .   .   .   .   .   .    4   VAL    HN     parsed_1l1k   1   
         9   1   1   .   .   .   .   .   .   .   .   .    3   ALA    QB     parsed_1l1k   1   
         9   1   2   .   .   .   .   .   .   .   .   .    4   VAL    HN     parsed_1l1k   1   
        10   1   1   .   .   .   .   .   .   .   .   .    4   VAL    HN     parsed_1l1k   1   
        10   1   2   .   .   .   .   .   .   .   .   .    4   VAL    HA     parsed_1l1k   1   
        11   1   1   .   .   .   .   .   .   .   .   .    4   VAL    HN     parsed_1l1k   1   
        11   1   2   .   .   .   .   .   .   .   .   .    4   VAL    HB     parsed_1l1k   1   
        12   1   1   .   .   .   .   .   .   .   .   .    4   VAL    HN     parsed_1l1k   1   
        12   1   2   .   .   .   .   .   .   .   .   .    4   VAL    QG1    parsed_1l1k   1   
        13   1   1   .   .   .   .   .   .   .   .   .    4   VAL    HA     parsed_1l1k   1   
        13   1   2   .   .   .   .   .   .   .   .   .    5   ILE    HN     parsed_1l1k   1   
        14   1   1   .   .   .   .   .   .   .   .   .    4   VAL    HB     parsed_1l1k   1   
        14   1   2   .   .   .   .   .   .   .   .   .    5   ILE    HN     parsed_1l1k   1   
        15   1   1   .   .   .   .   .   .   .   .   .    5   ILE    HN     parsed_1l1k   1   
        15   1   2   .   .   .   .   .   .   .   .   .    5   ILE    HB     parsed_1l1k   1   
        16   1   1   .   .   .   .   .   .   .   .   .    5   ILE    HN     parsed_1l1k   1   
        16   1   2   .   .   .   .   .   .   .   .   .    5   ILE    QG2    parsed_1l1k   1   
        17   1   1   .   .   .   .   .   .   .   .   .    5   ILE    HN     parsed_1l1k   1   
        17   1   2   .   .   .   .   .   .   .   .   .    5   ILE    HG12   parsed_1l1k   1   
        18   1   1   .   .   .   .   .   .   .   .   .    5   ILE    HN     parsed_1l1k   1   
        18   1   2   .   .   .   .   .   .   .   .   .    5   ILE    HG13   parsed_1l1k   1   
        19   1   1   .   .   .   .   .   .   .   .   .    5   ILE    HN     parsed_1l1k   1   
        19   1   2   .   .   .   .   .   .   .   .   .    6   ASN    HN     parsed_1l1k   1   
        20   1   1   .   .   .   .   .   .   .   .   .    5   ILE    HA     parsed_1l1k   1   
        20   1   2   .   .   .   .   .   .   .   .   .    6   ASN    HN     parsed_1l1k   1   
        21   1   1   .   .   .   .   .   .   .   .   .    5   ILE    HB     parsed_1l1k   1   
        21   1   2   .   .   .   .   .   .   .   .   .    6   ASN    HN     parsed_1l1k   1   
        22   1   1   .   .   .   .   .   .   .   .   .    5   ILE    QG2    parsed_1l1k   1   
        22   1   2   .   .   .   .   .   .   .   .   .    6   ASN    HN     parsed_1l1k   1   
        23   1   1   .   .   .   .   .   .   .   .   .    5   ILE    QG2    parsed_1l1k   1   
        23   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN     parsed_1l1k   1   
        24   1   1   .   .   .   .   .   .   .   .   .    6   ASN    HN     parsed_1l1k   1   
        24   1   2   .   .   .   .   .   .   .   .   .    6   ASN    HA     parsed_1l1k   1   
        25   1   1   .   .   .   .   .   .   .   .   .    6   ASN    HN     parsed_1l1k   1   
        25   1   2   .   .   .   .   .   .   .   .   .    6   ASN    HB3    parsed_1l1k   1   
        26   1   1   .   .   .   .   .   .   .   .   .    6   ASN    HA     parsed_1l1k   1   
        26   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN     parsed_1l1k   1   
        27   1   1   .   .   .   .   .   .   .   .   .    6   ASN    HB3    parsed_1l1k   1   
        27   1   2   .   .   .   .   .   .   .   .   .    7   GLY    HN     parsed_1l1k   1   
        28   1   1   .   .   .   .   .   .   .   .   .    7   GLY    HN     parsed_1l1k   1   
        28   1   2   .   .   .   .   .   .   .   .   .    7   GLY    QA     parsed_1l1k   1   
        29   1   1   .   .   .   .   .   .   .   .   .    7   GLY    HN     parsed_1l1k   1   
        29   1   2   .   .   .   .   .   .   .   .   .    8   GLU    HN     parsed_1l1k   1   
        30   1   1   .   .   .   .   .   .   .   .   .    7   GLY    QA     parsed_1l1k   1   
        30   1   2   .   .   .   .   .   .   .   .   .    8   GLU    HN     parsed_1l1k   1   
        31   1   1   .   .   .   .   .   .   .   .   .    8   GLU    HN     parsed_1l1k   1   
        31   1   2   .   .   .   .   .   .   .   .   .    8   GLU    HA     parsed_1l1k   1   
        32   1   1   .   .   .   .   .   .   .   .   .    8   GLU    HN     parsed_1l1k   1   
        32   1   2   .   .   .   .   .   .   .   .   .    8   GLU    HB2    parsed_1l1k   1   
        33   1   1   .   .   .   .   .   .   .   .   .    8   GLU    HN     parsed_1l1k   1   
        33   1   2   .   .   .   .   .   .   .   .   .    8   GLU    HB3    parsed_1l1k   1   
        34   1   1   .   .   .   .   .   .   .   .   .    8   GLU    HN     parsed_1l1k   1   
        34   1   2   .   .   .   .   .   .   .   .   .    8   GLU    QG     parsed_1l1k   1   
        35   1   1   .   .   .   .   .   .   .   .   .    9   GLN    HN     parsed_1l1k   1   
        35   1   2   .   .   .   .   .   .   .   .   .    9   GLN    HA     parsed_1l1k   1   
        36   1   1   .   .   .   .   .   .   .   .   .    9   GLN    HN     parsed_1l1k   1   
        36   1   2   .   .   .   .   .   .   .   .   .    9   GLN    HB3    parsed_1l1k   1   
        37   1   1   .   .   .   .   .   .   .   .   .    9   GLN    HN     parsed_1l1k   1   
        37   1   2   .   .   .   .   .   .   .   .   .    9   GLN    QG     parsed_1l1k   1   
        38   1   1   .   .   .   .   .   .   .   .   .    9   GLN    HN     parsed_1l1k   1   
        38   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        39   1   1   .   .   .   .   .   .   .   .   .    9   GLN    HN     parsed_1l1k   1   
        39   1   2   .   .   .   .   .   .   .   .   .   10   ILE    QG2    parsed_1l1k   1   
        40   1   1   .   .   .   .   .   .   .   .   .    9   GLN    HA     parsed_1l1k   1   
        40   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        41   1   1   .   .   .   .   .   .   .   .   .    9   GLN    HB2    parsed_1l1k   1   
        41   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        42   1   1   .   .   .   .   .   .   .   .   .    9   GLN    QG     parsed_1l1k   1   
        42   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        43   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        43   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HA     parsed_1l1k   1   
        44   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        44   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HB     parsed_1l1k   1   
        45   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        45   1   2   .   .   .   .   .   .   .   .   .   10   ILE    QG2    parsed_1l1k   1   
        46   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        46   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HG12   parsed_1l1k   1   
        47   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HN     parsed_1l1k   1   
        47   1   2   .   .   .   .   .   .   .   .   .   10   ILE    HG13   parsed_1l1k   1   
        48   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HA     parsed_1l1k   1   
        48   1   2   .   .   .   .   .   .   .   .   .   12   SER    HN     parsed_1l1k   1   
        49   1   1   .   .   .   .   .   .   .   .   .   10   ILE    HB     parsed_1l1k   1   
        49   1   2   .   .   .   .   .   .   .   .   .   12   SER    HN     parsed_1l1k   1   
        50   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QG2    parsed_1l1k   1   
        50   1   2   .   .   .   .   .   .   .   .   .   11   ARG+   HN     parsed_1l1k   1   
        51   1   1   .   .   .   .   .   .   .   .   .   10   ILE    QG2    parsed_1l1k   1   
        51   1   2   .   .   .   .   .   .   .   .   .   12   SER    HN     parsed_1l1k   1   
        52   1   1   .   .   .   .   .   .   .   .   .   11   ARG+   HN     parsed_1l1k   1   
        52   1   2   .   .   .   .   .   .   .   .   .   11   ARG+   HA     parsed_1l1k   1   
        53   1   1   .   .   .   .   .   .   .   .   .   11   ARG+   HN     parsed_1l1k   1   
        53   1   2   .   .   .   .   .   .   .   .   .   11   ARG+   QD     parsed_1l1k   1   
        54   1   1   .   .   .   .   .   .   .   .   .   12   SER    HN     parsed_1l1k   1   
        54   1   2   .   .   .   .   .   .   .   .   .   12   SER    HA     parsed_1l1k   1   
        55   1   1   .   .   .   .   .   .   .   .   .   12   SER    HN     parsed_1l1k   1   
        55   1   2   .   .   .   .   .   .   .   .   .   12   SER    HB3    parsed_1l1k   1   
        56   1   1   .   .   .   .   .   .   .   .   .   15   ASP    HN     parsed_1l1k   1   
        56   1   2   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_1l1k   1   
        57   1   1   .   .   .   .   .   .   .   .   .   15   ASP    HA     parsed_1l1k   1   
        57   1   2   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_1l1k   1   
        58   1   1   .   .   .   .   .   .   .   .   .   15   ASP    HA     parsed_1l1k   1   
        58   1   2   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        59   1   1   .   .   .   .   .   .   .   .   .   15   ASP    HB3    parsed_1l1k   1   
        59   1   2   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_1l1k   1   
        60   1   1   .   .   .   .   .   .   .   .   .   15   ASP    HB3    parsed_1l1k   1   
        60   1   2   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        61   1   1   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_1l1k   1   
        61   1   2   .   .   .   .   .   .   .   .   .   16   LEU    HA     parsed_1l1k   1   
        62   1   1   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_1l1k   1   
        62   1   2   .   .   .   .   .   .   .   .   .   16   LEU    QB     parsed_1l1k   1   
        63   1   1   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_1l1k   1   
        63   1   2   .   .   .   .   .   .   .   .   .   16   LEU    QQD    parsed_1l1k   1   
        64   1   1   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_1l1k   1   
        64   1   2   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        65   1   1   .   .   .   .   .   .   .   .   .   16   LEU    HA     parsed_1l1k   1   
        65   1   2   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        66   1   1   .   .   .   .   .   .   .   .   .   16   LEU    QB     parsed_1l1k   1   
        66   1   2   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        67   1   1   .   .   .   .   .   .   .   .   .   16   LEU    HN     parsed_1l1k   1   
        67   1   2   .   .   .   .   .   .   .   .   .   17   HIS    HN     parsed_1l1k   1   
        68   1   1   .   .   .   .   .   .   .   .   .   16   LEU    QB     parsed_1l1k   1   
        68   1   2   .   .   .   .   .   .   .   .   .   17   HIS    HN     parsed_1l1k   1   
        69   1   1   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        69   1   2   .   .   .   .   .   .   .   .   .   18   GLN    HB3    parsed_1l1k   1   
        70   1   1   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        70   1   2   .   .   .   .   .   .   .   .   .   18   GLN    QG     parsed_1l1k   1   
        71   1   1   .   .   .   .   .   .   .   .   .   18   GLN    HB3    parsed_1l1k   1   
        71   1   2   .   .   .   .   .   .   .   .   .   19   THR    HN     parsed_1l1k   1   
        72   1   1   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        72   1   2   .   .   .   .   .   .   .   .   .   17   HIS    HB2    parsed_1l1k   1   
        73   1   1   .   .   .   .   .   .   .   .   .   18   GLN    HN     parsed_1l1k   1   
        73   1   2   .   .   .   .   .   .   .   .   .   17   HIS    HB3    parsed_1l1k   1   
        74   1   1   .   .   .   .   .   .   .   .   .   19   THR    HN     parsed_1l1k   1   
        74   1   2   .   .   .   .   .   .   .   .   .   19   THR    QG2    parsed_1l1k   1   
        75   1   1   .   .   .   .   .   .   .   .   .   20   LEU    HN     parsed_1l1k   1   
        75   1   2   .   .   .   .   .   .   .   .   .   20   LEU    HA     parsed_1l1k   1   
        76   1   1   .   .   .   .   .   .   .   .   .   20   LEU    HN     parsed_1l1k   1   
        76   1   2   .   .   .   .   .   .   .   .   .   20   LEU    QB     parsed_1l1k   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   .   .   .   .   .   .   .   4.98   parsed_1l1k   1   
         2   1   .   .   .   .   .   .   .   2.80   parsed_1l1k   1   
         3   1   .   .   .   .   .   .   .   4.64   parsed_1l1k   1   
         4   1   .   .   .   .   .   .   .   6.38   parsed_1l1k   1   
         5   1   .   .   .   .   .   .   .   2.46   parsed_1l1k   1   
         6   1   .   .   .   .   .   .   .   4.98   parsed_1l1k   1   
         7   1   .   .   .   .   .   .   .   4.08   parsed_1l1k   1   
         8   1   .   .   .   .   .   .   .   2.59   parsed_1l1k   1   
         9   1   .   .   .   .   .   .   .   4.82   parsed_1l1k   1   
        10   1   .   .   .   .   .   .   .   3.52   parsed_1l1k   1   
        11   1   .   .   .   .   .   .   .   3.17   parsed_1l1k   1   
        12   1   .   .   .   .   .   .   .   4.54   parsed_1l1k   1   
        13   1   .   .   .   .   .   .   .   2.59   parsed_1l1k   1   
        14   1   .   .   .   .   .   .   .   3.79   parsed_1l1k   1   
        15   1   .   .   .   .   .   .   .   3.17   parsed_1l1k   1   
        16   1   .   .   .   .   .   .   .   4.67   parsed_1l1k   1   
        17   1   .   .   .   .   .   .   .   4.60   parsed_1l1k   1   
        18   1   .   .   .   .   .   .   .   4.60   parsed_1l1k   1   
        19   1   .   .   .   .   .   .   .   3.76   parsed_1l1k   1   
        20   1   .   .   .   .   .   .   .   2.55   parsed_1l1k   1   
        21   1   .   .   .   .   .   .   .   3.73   parsed_1l1k   1   
        22   1   .   .   .   .   .   .   .   4.70   parsed_1l1k   1   
        23   1   .   .   .   .   .   .   .   5.94   parsed_1l1k   1   
        24   1   .   .   .   .   .   .   .   3.08   parsed_1l1k   1   
        25   1   .   .   .   .   .   .   .   3.11   parsed_1l1k   1   
        26   1   .   .   .   .   .   .   .   2.74   parsed_1l1k   1   
        27   1   .   .   .   .   .   .   .   3.45   parsed_1l1k   1   
        28   1   .   .   .   .   .   .   .   3.80   parsed_1l1k   1   
        29   1   .   .   .   .   .   .   .   3.39   parsed_1l1k   1   
        30   1   .   .   .   .   .   .   .   3.96   parsed_1l1k   1   
        31   1   .   .   .   .   .   .   .   3.14   parsed_1l1k   1   
        32   1   .   .   .   .   .   .   .   3.14   parsed_1l1k   1   
        33   1   .   .   .   .   .   .   .   2.93   parsed_1l1k   1   
        34   1   .   .   .   .   .   .   .   5.38   parsed_1l1k   1   
        35   1   .   .   .   .   .   .   .   2.59   parsed_1l1k   1   
        36   1   .   .   .   .   .   .   .   2.90   parsed_1l1k   1   
        37   1   .   .   .   .   .   .   .   5.63   parsed_1l1k   1   
        38   1   .   .   .   .   .   .   .   3.89   parsed_1l1k   1   
        39   1   .   .   .   .   .   .   .   6.22   parsed_1l1k   1   
        40   1   .   .   .   .   .   .   .   2.93   parsed_1l1k   1   
        41   1   .   .   .   .   .   .   .   3.95   parsed_1l1k   1   
        42   1   .   .   .   .   .   .   .   6.38   parsed_1l1k   1   
        43   1   .   .   .   .   .   .   .   3.64   parsed_1l1k   1   
        44   1   .   .   .   .   .   .   .   3.24   parsed_1l1k   1   
        45   1   .   .   .   .   .   .   .   5.29   parsed_1l1k   1   
        46   1   .   .   .   .   .   .   .   4.60   parsed_1l1k   1   
        47   1   .   .   .   .   .   .   .   4.76   parsed_1l1k   1   
        48   1   .   .   .   .   .   .   .   3.11   parsed_1l1k   1   
        49   1   .   .   .   .   .   .   .   3.70   parsed_1l1k   1   
        50   1   .   .   .   .   .   .   .   6.22   parsed_1l1k   1   
        51   1   .   .   .   .   .   .   .   5.41   parsed_1l1k   1   
        52   1   .   .   .   .   .   .   .   3.05   parsed_1l1k   1   
        53   1   .   .   .   .   .   .   .   5.54   parsed_1l1k   1   
        54   1   .   .   .   .   .   .   .   3.45   parsed_1l1k   1   
        55   1   .   .   .   .   .   .   .   3.17   parsed_1l1k   1   
        56   1   .   .   .   .   .   .   .   4.04   parsed_1l1k   1   
        57   1   .   .   .   .   .   .   .   3.52   parsed_1l1k   1   
        58   1   .   .   .   .   .   .   .   3.14   parsed_1l1k   1   
        59   1   .   .   .   .   .   .   .   4.01   parsed_1l1k   1   
        60   1   .   .   .   .   .   .   .   3.33   parsed_1l1k   1   
        61   1   .   .   .   .   .   .   .   3.70   parsed_1l1k   1   
        62   1   .   .   .   .   .   .   .   4.76   parsed_1l1k   1   
        63   1   .   .   .   .   .   .   .   7.63   parsed_1l1k   1   
        64   1   .   .   .   .   .   .   .   3.76   parsed_1l1k   1   
        65   1   .   .   .   .   .   .   .   3.92   parsed_1l1k   1   
        66   1   .   .   .   .   .   .   .   5.51   parsed_1l1k   1   
        67   1   .   .   .   .   .   .   .   4.00   parsed_1l1k   1   
        68   1   .   .   .   .   .   .   .   4.00   parsed_1l1k   1   
        69   1   .   .   .   .   .   .   .   3.58   parsed_1l1k   1   
        70   1   .   .   .   .   .   .   .   6.35   parsed_1l1k   1   
        71   1   .   .   .   .   .   .   .   4.29   parsed_1l1k   1   
        72   1   .   .   .   .   .   .   .   4.00   parsed_1l1k   1   
        73   1   .   .   .   .   .   .   .   4.00   parsed_1l1k   1   
        74   1   .   .   .   .   .   .   .   6.31   parsed_1l1k   1   
        75   1   .   .   .   .   .   .   .   3.61   parsed_1l1k   1   
        76   1   .   .   .   .   .   .   .   5.01   parsed_1l1k   1   
    stop_


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

         1   "peak     46"     1   40    1   52   parsed_1l1k   1   
         2   "peak     17"     2   40    2   52   parsed_1l1k   1   
         3   "peak     47"     3   40    3   52   parsed_1l1k   1   
         4   "peak     49"     4   40    4   52   parsed_1l1k   1   
         5   "peak     22"     5   40    5   52   parsed_1l1k   1   
         6   "peak     45"     6   40    6   52   parsed_1l1k   1   
         7   "peak     51"     7   40    7   52   parsed_1l1k   1   
         8   "peak     20"     8   40    8   52   parsed_1l1k   1   
         9   "peak     52"     9   40    9   52   parsed_1l1k   1   
        10   "peak     27"    10   40   10   52   parsed_1l1k   1   
        11   "peak     39"    11   40   11   52   parsed_1l1k   1   
        12   "peak     57"    12   40   12   52   parsed_1l1k   1   
        13   "peak     26"    13   40   13   52   parsed_1l1k   1   
        14   "peak     37"    14   40   14   52   parsed_1l1k   1   
        15   "peak     43"    15   40   15   52   parsed_1l1k   1   
        16   "peak     55"    16   40   16   52   parsed_1l1k   1   
        17   "peak     48"    17   40   17   52   parsed_1l1k   1   
        18   "peak     53"    18   40   18   52   parsed_1l1k   1   
        19   "peak     10"    19   40   19   52   parsed_1l1k   1   
        20   "peak     23"    20   40   20   52   parsed_1l1k   1   
        21   "peak     44"    21   40   21   52   parsed_1l1k   1   
        22   "peak     59"    22   40   22   52   parsed_1l1k   1   
        23   "peak     67"    23   40   23   52   parsed_1l1k   1   
        24   "peak     14"    24   40   24   52   parsed_1l1k   1   
        25   "peak     30"    25   40   25   52   parsed_1l1k   1   
        26   "peak     64"    26   40   26   52   parsed_1l1k   1   
        27   "peak     66"    27   40   27   52   parsed_1l1k   1   
        28   "peak     65"    28   40   28   52   parsed_1l1k   1   
        29   "peak     63"    29   40   29   52   parsed_1l1k   1   
        30   "peak     28"    30   40   30   52   parsed_1l1k   1   
        31   "peak     21"    31   40   31   52   parsed_1l1k   1   
        32   "peak     35"    32   40   32   52   parsed_1l1k   1   
        33   "peak     40"    33   40   33   52   parsed_1l1k   1   
        34   "peak     32"    34   40   34   52   parsed_1l1k   1   
        35   "peak     19"    35   40   35   52   parsed_1l1k   1   
        36   "peak     38"    36   40   36   52   parsed_1l1k   1   
        37   "peak     34"    37   40   37   52   parsed_1l1k   1   
        38   "peak      4"    38   40   38   52   parsed_1l1k   1   
        39   "peak     61"    39   40   39   52   parsed_1l1k   1   
        40   "peak     18"    40   40   40   52   parsed_1l1k   1   
        41   "peak     36"    41   40   41   52   parsed_1l1k   1   
        42   "peak     33"    42   40   42   52   parsed_1l1k   1   
        43   "peak     25"    43   40   43   52   parsed_1l1k   1   
        44   "peak     42"    44   40   44   52   parsed_1l1k   1   
        45   "peak     60"    45   40   45   52   parsed_1l1k   1   
        46   "peak     50"    46   40   46   52   parsed_1l1k   1   
        47   "peak     54"    47   40   47   52   parsed_1l1k   1   
        48   "peak     24"    48   40   48   52   parsed_1l1k   1   
        49   "peak     41"    49   40   49   52   parsed_1l1k   1   
        50   "peak     56"    50   40   50   52   parsed_1l1k   1   
        51   "peak     58"    51   40   51   52   parsed_1l1k   1   
        52   "peak     15"    52   40   52   52   parsed_1l1k   1   
        53   "peak     31"    53   40   53   52   parsed_1l1k   1   
        54   "peak     16"    54   40   54   52   parsed_1l1k   1   
        55   "peak     29"    55   40   55   52   parsed_1l1k   1   
        56   "peak     70"    56   40   56   52   parsed_1l1k   1   
        57   "peak     76"    57   40   57   52   parsed_1l1k   1   
        58   "peak     77"    58   40   58   52   parsed_1l1k   1   
        59   "peak     81"    59   40   59   52   parsed_1l1k   1   
        60   "peak     82"    60   40   60   52   parsed_1l1k   1   
        61   "peak     79"    61   40   61   52   parsed_1l1k   1   
        62   "peak     87"    62   40   62   52   parsed_1l1k   1   
        63   "peak     90"    63   40   63   52   parsed_1l1k   1   
        64   "peak     75"    64   40   64   52   parsed_1l1k   1   
        65   "peak     80"    65   40   65   52   parsed_1l1k   1   
        66   "peak     88"    66   40   66   52   parsed_1l1k   1   
        67    peak            67   30   67   41   parsed_1l1k   1   
        68    peak            68   31   68   42   parsed_1l1k   1   
        69   "peak     84"    69   40   69   52   parsed_1l1k   1   
        70   "peak     83"    70   40   70   52   parsed_1l1k   1   
        71   "peak     85"    71   40   71   52   parsed_1l1k   1   
        72    peak            72   32   72   44   parsed_1l1k   1   
        73    peak            73   32   73   44   parsed_1l1k   1   
        74   "peak     89"    74   40   74   52   parsed_1l1k   1   
        75   "peak     78"    75   40   75   52   parsed_1l1k   1   
        76   "peak     86"    76   40   76   52   parsed_1l1k   1   
    stop_

save_





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