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
642369 6csz 30440 cing 2-parsed STAR entry full 81


data_6csz_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6csz 
    _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_6csz   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6csz 
    _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   6csz   "Master copy"    parsed_6csz   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6csz 
    _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   6csz.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_6csz   1   
        1   6csz.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             81   parsed_6csz   1   
        1   6csz.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_6csz   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_6csz 
    _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    ANTIMICROBIAL PROTEIN                   21-MAR-18   6CSZ              
*TITLE     TFE-INDUCED NMR STRUCTURE OF A NOVEL BIOACTIVE PEPTIDE (PADBS1R3)     
*TITLE    2 DERIVED FROM A PYROBACULUM AEROPHILUM RIBOSOMAL PROTEIN (L39E)       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PADBS1R3;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-18;                                         
*COMPND   5 SYNONYM: 50S RIBOSOMAL PROTEIN L39E;                                 
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM;                         
*SOURCE   4 ORGANISM_TAXID: 178306                                               
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTIBIOTICS, BACTERIAL RESISTANCE, CATIONIC    
*KEYWDS   2 PEPTIDE, ANTIMICROBIAL PROTEIN                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.H.CARDOSO,L.Y.CHAN,E.S.CANDIDO,D.J.CRAIK,O.L.FRANCO                 
*REVDAT   1   25-SEP-19 6CSZ    0                                                
;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_6csz 
    _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_6csz   1   
         2   1   .   .   .   parsed_6csz   1   
         3   1   .   .   .   parsed_6csz   1   
         4   1   .   .   .   parsed_6csz   1   
         5   1   .   .   .   parsed_6csz   1   
         6   1   .   .   .   parsed_6csz   1   
         7   1   .   .   .   parsed_6csz   1   
         8   1   .   .   .   parsed_6csz   1   
         9   1   .   .   .   parsed_6csz   1   
        10   1   .   .   .   parsed_6csz   1   
        11   1   .   .   .   parsed_6csz   1   
        12   1   .   .   .   parsed_6csz   1   
        13   1   .   .   .   parsed_6csz   1   
        14   1   .   .   .   parsed_6csz   1   
        15   1   .   .   .   parsed_6csz   1   
        16   1   .   .   .   parsed_6csz   1   
        17   1   .   .   .   parsed_6csz   1   
        18   1   .   .   .   parsed_6csz   1   
        19   1   .   .   .   parsed_6csz   1   
        20   1   .   .   .   parsed_6csz   1   
        21   1   .   .   .   parsed_6csz   1   
        22   1   .   .   .   parsed_6csz   1   
        23   1   .   .   .   parsed_6csz   1   
        24   1   .   .   .   parsed_6csz   1   
        25   1   .   .   .   parsed_6csz   1   
        26   1   .   .   .   parsed_6csz   1   
        27   1   .   .   .   parsed_6csz   1   
        28   1   .   .   .   parsed_6csz   1   
        29   1   .   .   .   parsed_6csz   1   
        30   1   .   .   .   parsed_6csz   1   
        31   1   .   .   .   parsed_6csz   1   
        32   1   .   .   .   parsed_6csz   1   
        33   1   .   .   .   parsed_6csz   1   
        34   1   .   .   .   parsed_6csz   1   
        35   1   .   .   .   parsed_6csz   1   
        36   1   .   .   .   parsed_6csz   1   
        37   1   .   .   .   parsed_6csz   1   
        38   1   .   .   .   parsed_6csz   1   
        39   1   .   .   .   parsed_6csz   1   
        40   1   .   .   .   parsed_6csz   1   
        41   1   .   .   .   parsed_6csz   1   
        42   1   .   .   .   parsed_6csz   1   
        43   1   .   .   .   parsed_6csz   1   
        44   1   .   .   .   parsed_6csz   1   
        45   1   .   .   .   parsed_6csz   1   
        46   1   .   .   .   parsed_6csz   1   
        47   1   .   .   .   parsed_6csz   1   
        48   1   .   .   .   parsed_6csz   1   
        49   1   .   .   .   parsed_6csz   1   
        50   1   .   .   .   parsed_6csz   1   
        51   1   .   .   .   parsed_6csz   1   
        52   1   .   .   .   parsed_6csz   1   
        53   1   .   .   .   parsed_6csz   1   
        54   1   .   .   .   parsed_6csz   1   
        55   1   .   .   .   parsed_6csz   1   
        56   1   .   .   .   parsed_6csz   1   
        57   1   .   .   .   parsed_6csz   1   
        58   1   .   .   .   parsed_6csz   1   
        59   1   .   .   .   parsed_6csz   1   
        60   1   .   .   .   parsed_6csz   1   
        61   1   .   .   .   parsed_6csz   1   
        62   1   .   .   .   parsed_6csz   1   
        63   1   .   .   .   parsed_6csz   1   
        64   1   .   .   .   parsed_6csz   1   
        65   1   .   .   .   parsed_6csz   1   
        66   1   .   .   .   parsed_6csz   1   
        67   1   .   .   .   parsed_6csz   1   
        68   1   .   .   .   parsed_6csz   1   
        69   1   .   .   .   parsed_6csz   1   
        70   1   .   .   .   parsed_6csz   1   
        71   1   .   .   .   parsed_6csz   1   
        72   1   .   .   .   parsed_6csz   1   
        73   1   .   .   .   parsed_6csz   1   
        74   1   .   .   .   parsed_6csz   1   
        75   1   .   .   .   parsed_6csz   1   
        76   1   .   .   .   parsed_6csz   1   
        77   1   .   .   .   parsed_6csz   1   
        78   1   .   .   .   parsed_6csz   1   
        79   1   .   .   .   parsed_6csz   1   
        80   1   .   .   .   parsed_6csz   1   
        81   1   .   .   .   parsed_6csz   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   .   .   .   .   .   .   .   .   .   19   LYS   H      parsed_6csz   1   
         1   1   2   .   .   .   .   .   .   .   .   .   19   LYS   HA     parsed_6csz   1   
         2   1   1   .   .   .   .   .   .   .   .   .    8   ARG   HA     parsed_6csz   1   
         2   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HE     parsed_6csz   1   
         3   1   1   .   .   .   .   .   .   .   .   .    2   MET   H      parsed_6csz   1   
         3   1   2   .   .   .   .   .   .   .   .   .    2   MET   HG2    parsed_6csz   1   
         4   1   1   .   .   .   .   .   .   .   .   .    2   MET   H      parsed_6csz   1   
         4   1   2   .   .   .   .   .   .   .   .   .    2   MET   HG3    parsed_6csz   1   
         5   1   1   .   .   .   .   .   .   .   .   .    2   MET   H      parsed_6csz   1   
         5   1   2   .   .   .   .   .   .   .   .   .    2   MET   HB2    parsed_6csz   1   
         6   1   1   .   .   .   .   .   .   .   .   .    2   MET   H      parsed_6csz   1   
         6   1   2   .   .   .   .   .   .   .   .   .    2   MET   QE     parsed_6csz   1   
         7   1   1   .   .   .   .   .   .   .   .   .    2   MET   H      parsed_6csz   1   
         7   1   2   .   .   .   .   .   .   .   .   .    2   MET   HB3    parsed_6csz   1   
         8   1   1   .   .   .   .   .   .   .   .   .    3   ALA   H      parsed_6csz   1   
         8   1   2   .   .   .   .   .   .   .   .   .    3   ALA   QB     parsed_6csz   1   
         9   1   1   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
         9   1   2   .   .   .   .   .   .   .   .   .    4   LYS   HE2    parsed_6csz   1   
        10   1   1   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
        10   1   2   .   .   .   .   .   .   .   .   .    4   LYS   HE3    parsed_6csz   1   
        11   1   1   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
        11   1   2   .   .   .   .   .   .   .   .   .    4   LYS   HB2    parsed_6csz   1   
        12   1   1   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
        12   1   2   .   .   .   .   .   .   .   .   .    4   LYS   HB3    parsed_6csz   1   
        13   1   1   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
        13   1   2   .   .   .   .   .   .   .   .   .    4   LYS   HD2    parsed_6csz   1   
        14   1   1   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
        14   1   2   .   .   .   .   .   .   .   .   .    4   LYS   HD3    parsed_6csz   1   
        15   1   1   .   .   .   .   .   .   .   .   .    3   ALA   QB     parsed_6csz   1   
        15   1   2   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
        16   1   1   .   .   .   .   .   .   .   .   .   16   ALA   QB     parsed_6csz   1   
        16   1   2   .   .   .   .   .   .   .   .   .   17   ALA   H      parsed_6csz   1   
        17   1   1   .   .   .   .   .   .   .   .   .    5   LEU   H      parsed_6csz   1   
        17   1   2   .   .   .   .   .   .   .   .   .    5   LEU   HG     parsed_6csz   1   
        18   1   1   .   .   .   .   .   .   .   .   .    5   LEU   H      parsed_6csz   1   
        18   1   2   .   .   .   .   .   .   .   .   .    5   LEU   QD1    parsed_6csz   1   
        19   1   1   .   .   .   .   .   .   .   .   .    5   LEU   H      parsed_6csz   1   
        19   1   2   .   .   .   .   .   .   .   .   .    5   LEU   QD2    parsed_6csz   1   
        20   1   1   .   .   .   .   .   .   .   .   .    6   LEU   H      parsed_6csz   1   
        20   1   2   .   .   .   .   .   .   .   .   .    6   LEU   QD1    parsed_6csz   1   
        21   1   1   .   .   .   .   .   .   .   .   .    6   LEU   H      parsed_6csz   1   
        21   1   2   .   .   .   .   .   .   .   .   .    6   LEU   QD2    parsed_6csz   1   
        22   1   1   .   .   .   .   .   .   .   .   .    8   ARG   H      parsed_6csz   1   
        22   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HB2    parsed_6csz   1   
        23   1   1   .   .   .   .   .   .   .   .   .    8   ARG   H      parsed_6csz   1   
        23   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HB3    parsed_6csz   1   
        24   1   1   .   .   .   .   .   .   .   .   .    8   ARG   H      parsed_6csz   1   
        24   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HG2    parsed_6csz   1   
        25   1   1   .   .   .   .   .   .   .   .   .    8   ARG   H      parsed_6csz   1   
        25   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HG3    parsed_6csz   1   
        26   1   1   .   .   .   .   .   .   .   .   .    9   ILE   H      parsed_6csz   1   
        26   1   2   .   .   .   .   .   .   .   .   .    9   ILE   HB     parsed_6csz   1   
        27   1   1   .   .   .   .   .   .   .   .   .    9   ILE   H      parsed_6csz   1   
        27   1   2   .   .   .   .   .   .   .   .   .    9   ILE   HG12   parsed_6csz   1   
        28   1   1   .   .   .   .   .   .   .   .   .    9   ILE   H      parsed_6csz   1   
        28   1   2   .   .   .   .   .   .   .   .   .    9   ILE   QG2    parsed_6csz   1   
        29   1   1   .   .   .   .   .   .   .   .   .    9   ILE   H      parsed_6csz   1   
        29   1   2   .   .   .   .   .   .   .   .   .    9   ILE   QD1    parsed_6csz   1   
        30   1   1   .   .   .   .   .   .   .   .   .   10   LYS   H      parsed_6csz   1   
        30   1   2   .   .   .   .   .   .   .   .   .   10   LYS   HD2    parsed_6csz   1   
        31   1   1   .   .   .   .   .   .   .   .   .   10   LYS   H      parsed_6csz   1   
        31   1   2   .   .   .   .   .   .   .   .   .   10   LYS   HD3    parsed_6csz   1   
        32   1   1   .   .   .   .   .   .   .   .   .   10   LYS   H      parsed_6csz   1   
        32   1   2   .   .   .   .   .   .   .   .   .   10   LYS   HG3    parsed_6csz   1   
        33   1   1   .   .   .   .   .   .   .   .   .   10   LYS   H      parsed_6csz   1   
        33   1   2   .   .   .   .   .   .   .   .   .   10   LYS   HG2    parsed_6csz   1   
        34   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        34   1   2   .   .   .   .   .   .   .   .   .   12   LYS   HE2    parsed_6csz   1   
        35   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        35   1   2   .   .   .   .   .   .   .   .   .   12   LYS   HE3    parsed_6csz   1   
        36   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        36   1   2   .   .   .   .   .   .   .   .   .   12   LYS   HB3    parsed_6csz   1   
        37   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        37   1   2   .   .   .   .   .   .   .   .   .   12   LYS   HB2    parsed_6csz   1   
        38   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        38   1   2   .   .   .   .   .   .   .   .   .   12   LYS   HD2    parsed_6csz   1   
        39   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        39   1   2   .   .   .   .   .   .   .   .   .   12   LYS   HG2    parsed_6csz   1   
        40   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        40   1   2   .   .   .   .   .   .   .   .   .   12   LYS   HG3    parsed_6csz   1   
        41   1   1   .   .   .   .   .   .   .   .   .   13   ILE   H      parsed_6csz   1   
        41   1   2   .   .   .   .   .   .   .   .   .   13   ILE   HB     parsed_6csz   1   
        42   1   1   .   .   .   .   .   .   .   .   .   13   ILE   H      parsed_6csz   1   
        42   1   2   .   .   .   .   .   .   .   .   .   13   ILE   QG2    parsed_6csz   1   
        43   1   1   .   .   .   .   .   .   .   .   .   13   ILE   H      parsed_6csz   1   
        43   1   2   .   .   .   .   .   .   .   .   .   13   ILE   QD1    parsed_6csz   1   
        44   1   1   .   .   .   .   .   .   .   .   .   14   LEU   H      parsed_6csz   1   
        44   1   2   .   .   .   .   .   .   .   .   .   14   LEU   HB2    parsed_6csz   1   
        45   1   1   .   .   .   .   .   .   .   .   .   14   LEU   H      parsed_6csz   1   
        45   1   2   .   .   .   .   .   .   .   .   .   14   LEU   HB3    parsed_6csz   1   
        46   1   1   .   .   .   .   .   .   .   .   .   14   LEU   H      parsed_6csz   1   
        46   1   2   .   .   .   .   .   .   .   .   .   14   LEU   HG     parsed_6csz   1   
        47   1   1   .   .   .   .   .   .   .   .   .   13   ILE   QG2    parsed_6csz   1   
        47   1   2   .   .   .   .   .   .   .   .   .   14   LEU   H      parsed_6csz   1   
        48   1   1   .   .   .   .   .   .   .   .   .   15   ALA   H      parsed_6csz   1   
        48   1   2   .   .   .   .   .   .   .   .   .   15   ALA   QB     parsed_6csz   1   
        49   1   1   .   .   .   .   .   .   .   .   .   17   ALA   H      parsed_6csz   1   
        49   1   2   .   .   .   .   .   .   .   .   .   17   ALA   QB     parsed_6csz   1   
        50   1   1   .   .   .   .   .   .   .   .   .   15   ALA   QB     parsed_6csz   1   
        50   1   2   .   .   .   .   .   .   .   .   .   16   ALA   H      parsed_6csz   1   
        51   1   1   .   .   .   .   .   .   .   .   .   16   ALA   H      parsed_6csz   1   
        51   1   2   .   .   .   .   .   .   .   .   .   16   ALA   QB     parsed_6csz   1   
        52   1   1   .   .   .   .   .   .   .   .   .   18   PHE   H      parsed_6csz   1   
        52   1   2   .   .   .   .   .   .   .   .   .   18   PHE   HB2    parsed_6csz   1   
        53   1   1   .   .   .   .   .   .   .   .   .   18   PHE   H      parsed_6csz   1   
        53   1   2   .   .   .   .   .   .   .   .   .   18   PHE   HB3    parsed_6csz   1   
        54   1   1   .   .   .   .   .   .   .   .   .   11   LYS   H      parsed_6csz   1   
        54   1   2   .   .   .   .   .   .   .   .   .   11   LYS   HB3    parsed_6csz   1   
        55   1   1   .   .   .   .   .   .   .   .   .   19   LYS   H      parsed_6csz   1   
        55   1   2   .   .   .   .   .   .   .   .   .   19   LYS   HB3    parsed_6csz   1   
        56   1   1   .   .   .   .   .   .   .   .   .   11   LYS   H      parsed_6csz   1   
        56   1   2   .   .   .   .   .   .   .   .   .   11   LYS   HB2    parsed_6csz   1   
        57   1   1   .   .   .   .   .   .   .   .   .   19   LYS   H      parsed_6csz   1   
        57   1   2   .   .   .   .   .   .   .   .   .   19   LYS   HB2    parsed_6csz   1   
        58   1   1   .   .   .   .   .   .   .   .   .    8   ARG   HB2    parsed_6csz   1   
        58   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HE     parsed_6csz   1   
        59   1   1   .   .   .   .   .   .   .   .   .    8   ARG   HB3    parsed_6csz   1   
        59   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HE     parsed_6csz   1   
        60   1   1   .   .   .   .   .   .   .   .   .    8   ARG   HG2    parsed_6csz   1   
        60   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HE     parsed_6csz   1   
        61   1   1   .   .   .   .   .   .   .   .   .    8   ARG   HG3    parsed_6csz   1   
        61   1   2   .   .   .   .   .   .   .   .   .    8   ARG   HE     parsed_6csz   1   
        62   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        62   1   2   .   .   .   .   .   .   .   .   .   12   LYS   HD3    parsed_6csz   1   
        63   1   1   .   .   .   .   .   .   .   .   .    9   ILE   H      parsed_6csz   1   
        63   1   2   .   .   .   .   .   .   .   .   .    9   ILE   HG13   parsed_6csz   1   
        64   1   1   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
        64   1   2   .   .   .   .   .   .   .   .   .    4   LYS   QB     parsed_6csz   1   
        65   1   1   .   .   .   .   .   .   .   .   .    4   LYS   H      parsed_6csz   1   
        65   1   2   .   .   .   .   .   .   .   .   .    4   LYS   QG     parsed_6csz   1   
        66   1   1   .   .   .   .   .   .   .   .   .    4   LYS   QG     parsed_6csz   1   
        66   1   2   .   .   .   .   .   .   .   .   .    5   LEU   H      parsed_6csz   1   
        67   1   1   .   .   .   .   .   .   .   .   .    4   LYS   QD     parsed_6csz   1   
        67   1   2   .   .   .   .   .   .   .   .   .    5   LEU   H      parsed_6csz   1   
        68   1   1   .   .   .   .   .   .   .   .   .    4   LYS   QE     parsed_6csz   1   
        68   1   2   .   .   .   .   .   .   .   .   .    5   LEU   H      parsed_6csz   1   
        69   1   1   .   .   .   .   .   .   .   .   .    5   LEU   H      parsed_6csz   1   
        69   1   2   .   .   .   .   .   .   .   .   .    5   LEU   QB     parsed_6csz   1   
        70   1   1   .   .   .   .   .   .   .   .   .    8   ARG   H      parsed_6csz   1   
        70   1   2   .   .   .   .   .   .   .   .   .    8   ARG   QD     parsed_6csz   1   
        71   1   1   .   .   .   .   .   .   .   .   .    9   ILE   H      parsed_6csz   1   
        71   1   2   .   .   .   .   .   .   .   .   .    9   ILE   QG1    parsed_6csz   1   
        72   1   1   .   .   .   .   .   .   .   .   .   11   LYS   H      parsed_6csz   1   
        72   1   2   .   .   .   .   .   .   .   .   .   11   LYS   QB     parsed_6csz   1   
        73   1   1   .   .   .   .   .   .   .   .   .   11   LYS   H      parsed_6csz   1   
        73   1   2   .   .   .   .   .   .   .   .   .   11   LYS   QE     parsed_6csz   1   
        74   1   1   .   .   .   .   .   .   .   .   .   12   LYS   H      parsed_6csz   1   
        74   1   2   .   .   .   .   .   .   .   .   .   12   LYS   QD     parsed_6csz   1   
        75   1   1   .   .   .   .   .   .   .   .   .   13   ILE   H      parsed_6csz   1   
        75   1   2   .   .   .   .   .   .   .   .   .   13   ILE   QG1    parsed_6csz   1   
        76   1   1   .   .   .   .   .   .   .   .   .   14   LEU   H      parsed_6csz   1   
        76   1   2   .   .   .   .   .   .   .   .   .   14   LEU   QQD    parsed_6csz   1   
        77   1   1   .   .   .   .   .   .   .   .   .   18   PHE   H      parsed_6csz   1   
        77   1   2   .   .   .   .   .   .   .   .   .   18   PHE   QB     parsed_6csz   1   
        78   1   1   .   .   .   .   .   .   .   .   .   19   LYS   H      parsed_6csz   1   
        78   1   2   .   .   .   .   .   .   .   .   .   19   LYS   QB     parsed_6csz   1   
        79   1   1   .   .   .   .   .   .   .   .   .   19   LYS   H      parsed_6csz   1   
        79   1   2   .   .   .   .   .   .   .   .   .   19   LYS   QG     parsed_6csz   1   
        80   1   1   .   .   .   .   .   .   .   .   .   19   LYS   H      parsed_6csz   1   
        80   1   2   .   .   .   .   .   .   .   .   .   19   LYS   QD     parsed_6csz   1   
        81   1   1   .   .   .   .   .   .   .   .   .   19   LYS   H      parsed_6csz   1   
        81   1   2   .   .   .   .   .   .   .   .   .   19   LYS   QE     parsed_6csz   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   .   .   .   .   .   .   .   2.93   parsed_6csz   1   
         2   1   .   .   .   .   .   .   .   4.46   parsed_6csz   1   
         3   1   .   .   .   .   .   .   .   3.70   parsed_6csz   1   
         4   1   .   .   .   .   .   .   .   3.70   parsed_6csz   1   
         5   1   .   .   .   .   .   .   .   4.01   parsed_6csz   1   
         6   1   .   .   .   .   .   .   .   3.69   parsed_6csz   1   
         7   1   .   .   .   .   .   .   .   4.01   parsed_6csz   1   
         8   1   .   .   .   .   .   .   .   3.11   parsed_6csz   1   
         9   1   .   .   .   .   .   .   .   5.28   parsed_6csz   1   
        10   1   .   .   .   .   .   .   .   5.28   parsed_6csz   1   
        11   1   .   .   .   .   .   .   .   3.99   parsed_6csz   1   
        12   1   .   .   .   .   .   .   .   3.99   parsed_6csz   1   
        13   1   .   .   .   .   .   .   .   4.19   parsed_6csz   1   
        14   1   .   .   .   .   .   .   .   4.19   parsed_6csz   1   
        15   1   .   .   .   .   .   .   .   4.29   parsed_6csz   1   
        16   1   .   .   .   .   .   .   .   4.60   parsed_6csz   1   
        17   1   .   .   .   .   .   .   .   4.27   parsed_6csz   1   
        18   1   .   .   .   .   .   .   .   4.38   parsed_6csz   1   
        19   1   .   .   .   .   .   .   .   4.38   parsed_6csz   1   
        20   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        21   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        22   1   .   .   .   .   .   .   .   4.11   parsed_6csz   1   
        23   1   .   .   .   .   .   .   .   4.11   parsed_6csz   1   
        24   1   .   .   .   .   .   .   .   4.34   parsed_6csz   1   
        25   1   .   .   .   .   .   .   .   4.34   parsed_6csz   1   
        26   1   .   .   .   .   .   .   .   3.96   parsed_6csz   1   
        27   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        28   1   .   .   .   .   .   .   .   4.00   parsed_6csz   1   
        29   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        30   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        31   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        32   1   .   .   .   .   .   .   .   5.43   parsed_6csz   1   
        33   1   .   .   .   .   .   .   .   5.43   parsed_6csz   1   
        34   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        35   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        36   1   .   .   .   .   .   .   .   3.82   parsed_6csz   1   
        37   1   .   .   .   .   .   .   .   3.82   parsed_6csz   1   
        38   1   .   .   .   .   .   .   .   4.75   parsed_6csz   1   
        39   1   .   .   .   .   .   .   .   4.66   parsed_6csz   1   
        40   1   .   .   .   .   .   .   .   4.66   parsed_6csz   1   
        41   1   .   .   .   .   .   .   .   4.05   parsed_6csz   1   
        42   1   .   .   .   .   .   .   .   4.55   parsed_6csz   1   
        43   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        44   1   .   .   .   .   .   .   .   3.93   parsed_6csz   1   
        45   1   .   .   .   .   .   .   .   3.93   parsed_6csz   1   
        46   1   .   .   .   .   .   .   .   4.47   parsed_6csz   1   
        47   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        48   1   .   .   .   .   .   .   .   3.10   parsed_6csz   1   
        49   1   .   .   .   .   .   .   .   2.83   parsed_6csz   1   
        50   1   .   .   .   .   .   .   .   3.28   parsed_6csz   1   
        51   1   .   .   .   .   .   .   .   3.38   parsed_6csz   1   
        52   1   .   .   .   .   .   .   .   3.14   parsed_6csz   1   
        53   1   .   .   .   .   .   .   .   3.14   parsed_6csz   1   
        54   1   .   .   .   .   .   .   .   3.81   parsed_6csz   1   
        55   1   .   .   .   .   .   .   .   4.18   parsed_6csz   1   
        56   1   .   .   .   .   .   .   .   3.81   parsed_6csz   1   
        57   1   .   .   .   .   .   .   .   4.18   parsed_6csz   1   
        58   1   .   .   .   .   .   .   .   4.04   parsed_6csz   1   
        59   1   .   .   .   .   .   .   .   4.04   parsed_6csz   1   
        60   1   .   .   .   .   .   .   .   3.97   parsed_6csz   1   
        61   1   .   .   .   .   .   .   .   3.97   parsed_6csz   1   
        62   1   .   .   .   .   .   .   .   4.75   parsed_6csz   1   
        63   1   .   .   .   .   .   .   .   5.50   parsed_6csz   1   
        64   1   .   .   .   .   .   .   .   3.41   parsed_6csz   1   
        65   1   .   .   .   .   .   .   .   4.17   parsed_6csz   1   
        66   1   .   .   .   .   .   .   .   4.12   parsed_6csz   1   
        67   1   .   .   .   .   .   .   .   5.34   parsed_6csz   1   
        68   1   .   .   .   .   .   .   .   5.34   parsed_6csz   1   
        69   1   .   .   .   .   .   .   .   2.95   parsed_6csz   1   
        70   1   .   .   .   .   .   .   .   4.39   parsed_6csz   1   
        71   1   .   .   .   .   .   .   .   4.80   parsed_6csz   1   
        72   1   .   .   .   .   .   .   .   3.23   parsed_6csz   1   
        73   1   .   .   .   .   .   .   .   5.30   parsed_6csz   1   
        74   1   .   .   .   .   .   .   .   4.14   parsed_6csz   1   
        75   1   .   .   .   .   .   .   .   5.34   parsed_6csz   1   
        76   1   .   .   .   .   .   .   .   5.44   parsed_6csz   1   
        77   1   .   .   .   .   .   .   .   2.75   parsed_6csz   1   
        78   1   .   .   .   .   .   .   .   3.59   parsed_6csz   1   
        79   1   .   .   .   .   .   .   .   3.42   parsed_6csz   1   
        80   1   .   .   .   .   .   .   .   5.34   parsed_6csz   1   
        81   1   .   .   .   .   .   .   .   5.34   parsed_6csz   1   
    stop_


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

         1   "Restraints file 1: PaDBS1R3.upl"          1    1    1   33   parsed_6csz   1   
         2   "peak 18 #plist 1 #SUP 0.94 #QF 0.94"      2   39    2   74   parsed_6csz   1   
         3   "peak 24 #plist 1 #SUP 0.99 #QF 0.99"      3   39    3   74   parsed_6csz   1   
         4   "peak 37 #plist 1 #SUP 0.92 #QF 0.92"      4   39    4   74   parsed_6csz   1   
         5   "peak 38 #plist 1 #SUP 0.92 #QF 0.92"      5   39    5   74   parsed_6csz   1   
         6   "peak 39 #plist 1 #SUP 1.00"               6   39    6   65   parsed_6csz   1   
         7   "peak 40 #plist 1 #SUP 0.81 #QF 0.81"      7   39    7   74   parsed_6csz   1   
         8   "peak 41 #plist 1 #SUP 0.99 #QF 0.99"      8   39    8   74   parsed_6csz   1   
         9   "peak 42 #plist 1 #SUP 0.99 #QF 0.99"      9   39    9   74   parsed_6csz   1   
        10   "peak 43 #plist 1 #SUP 1.00"              10   39   10   65   parsed_6csz   1   
        11   "peak 44 #plist 1 #SUP 0.99 #QF 0.99"     11   39   11   74   parsed_6csz   1   
        12   "peak 45 #plist 1 #SUP 0.94 #QF 0.94"     12   39   12   74   parsed_6csz   1   
        13   "peak 46 #plist 1 #SUP 0.98 #QF 0.98"     13   39   13   74   parsed_6csz   1   
        14   "peak 47 #plist 1 #SUP 0.99 #QF 0.99"     14   39   14   74   parsed_6csz   1   
        15   "peak 48 #plist 1 #SUP 0.99 #QF 0.99"     15   39   15   74   parsed_6csz   1   
        16   "peak 49 #plist 1 #SUP 1.00 #QF 0.88"     16   39   16   74   parsed_6csz   1   
        17   "peak 50 #plist 1 #SUP 0.88 #QF 0.84"     17   39   17   74   parsed_6csz   1   
        18   "peak 51 #plist 1 #SUP 0.66 #QF 0.44"     18   39   18   74   parsed_6csz   1   
        19   "peak 54 #plist 1 #SUP 0.99 #QF 0.99"     19   39   19   74   parsed_6csz   1   
        20   "peak 55 #plist 1 #SUP 1.00"              20   39   20   65   parsed_6csz   1   
        21   "peak 59 #plist 1 #SUP 0.99 #QF 0.99"     21   39   21   74   parsed_6csz   1   
        22   "peak 60 #plist 1 #SUP 0.99 #QF 0.99"     22   39   22   74   parsed_6csz   1   
        23   "peak 63 #plist 1 #SUP 1.00"              23   39   23   65   parsed_6csz   1   
        24   "peak 64 #plist 1 #SUP 1.00"              24   39   24   65   parsed_6csz   1   
        25   "peak 65 #plist 1 #SUP 0.98 #QF 0.98"     25   39   25   74   parsed_6csz   1   
        26   "peak 66 #plist 1 #SUP 0.97 #QF 0.97"     26   39   26   74   parsed_6csz   1   
        27   "peak 67 #plist 1 #SUP 0.96 #QF 0.96"     27   39   27   74   parsed_6csz   1   
        28   "peak 69 #plist 1 #SUP 1.00"              28   39   28   65   parsed_6csz   1   
        29   "peak 70 #plist 1 #SUP 1.00"              29   39   29   65   parsed_6csz   1   
        30   "peak 71 #plist 1 #SUP 0.88 #QF 0.88"     30   39   30   74   parsed_6csz   1   
        31   "peak 74 #plist 1 #SUP 0.71 #QF 0.71"     31   39   31   74   parsed_6csz   1   
        32   "peak 75 #plist 1 #SUP 0.71 #QF 0.71"     32   39   32   74   parsed_6csz   1   
        33   "peak 76 #plist 1 #SUP 1.00"              33   39   33   65   parsed_6csz   1   
        34   "peak 77 #plist 1 #SUP 0.99 #QF 0.99"     34   39   34   74   parsed_6csz   1   
        35   "peak 90 #plist 1 #SUP 0.60 #QF 0.25"     35   39   35   74   parsed_6csz   1   
        36   "peak 90 #plist 1 #SUP 0.60 #QF 0.25"     36   39   36   74   parsed_6csz   1   
        37   "peak 91 #plist 1 #SUP 0.98 #QF 0.98"     37   39   37   74   parsed_6csz   1   
        38   "peak 92 #plist 1 #SUP 0.98 #QF 0.98"     38   39   38   74   parsed_6csz   1   
        39   "peak 93 #plist 1 #SUP 1.00"              39   39   39   65   parsed_6csz   1   
        40   "peak 95 #plist 1 #SUP 0.99 #QF 0.99"     40   39   40   74   parsed_6csz   1   
        41   "peak 96 #plist 1 #SUP 1.00"              41   39   41   65   parsed_6csz   1   
        42   "peak 97 #plist 1 #SUP 1.00"              42   39   42   65   parsed_6csz   1   
        43   "peak 99 #plist 1 #SUP 0.98 #QF 0.98"     43   39   43   74   parsed_6csz   1   
        44   "peak 100 #plist 1 #SUP 1.00"             44   39   44   66   parsed_6csz   1   
        45   "peak 101 #plist 1 #SUP 1.00"             45   39   45   66   parsed_6csz   1   
        46   "peak 102 #plist 1 #SUP 1.00"             46   39   46   66   parsed_6csz   1   
        47   "peak 103 #plist 1 #SUP 0.66 #QF 0.66"    47   39   47   75   parsed_6csz   1   
        48   "peak 104 #plist 1 #SUP 1.00 #QF 0.97"    48   39   48   75   parsed_6csz   1   
        49   "peak 106 #plist 1 #SUP 1.00"             49   39   49   66   parsed_6csz   1   
        50   "peak 107 #plist 1 #SUP 0.92 #QF 0.92"    50   39   50   75   parsed_6csz   1   
        51   "peak 108 #plist 1 #SUP 0.96 #QF 0.24"    51   39   51   75   parsed_6csz   1   
        52   "peak 108 #plist 1 #SUP 0.96 #QF 0.24"    52   39   52   75   parsed_6csz   1   
        53   "peak 109 #plist 1 #SUP 0.88 #QF 0.88"    53   39   53   75   parsed_6csz   1   
        54   "peak 110 #plist 1 #SUP 0.83 #QF 0.83"    54   39   54   75   parsed_6csz   1   
        55   "peak 113 #plist 1 #SUP 0.99 #QF 0.46"    55   39   55   75   parsed_6csz   1   
        56   "peak 113 #plist 1 #SUP 0.99 #QF 0.46"    56   39   56   75   parsed_6csz   1   
        57   "peak 114 #plist 1 #SUP 0.71 #QF 0.36"    57   39   57   75   parsed_6csz   1   
        58   "peak 114 #plist 1 #SUP 0.71 #QF 0.36"    58   39   58   75   parsed_6csz   1   
        59   "peak 135 #plist 1 #SUP 0.98 #QF 0.98"    59   39   59   75   parsed_6csz   1   
        60   "peak 136 #plist 1 #SUP 0.98 #QF 0.98"    60   39   60   75   parsed_6csz   1   
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