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
593523 2rvd 20009 cing 2-parsed STAR entry full 80


data_2rvd_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2rvd 
    _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_2rvd   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2rvd 
    _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   2rvd   "Master copy"    parsed_2rvd   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2rvd 
    _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   2rvd.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2rvd   1   
        1   2rvd.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             80   parsed_2rvd   1   
        1   2rvd.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2rvd   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_2rvd 
    _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    DE NOVO PROTEIN                                     2RVD              
*TITLE     NMR STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CLN025;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    BETA-HAIRPIN, MINI-PROTEIN, CHIGNOLIN, DE NOVO PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.KATO, M.ISHIMURA, S.HONDA                                           
*REVDAT   1   12-AUG-15 2RVD    0                                                


;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2rvd 
    _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_2rvd   1   
         2   1   .   .   .   parsed_2rvd   1   
         3   1   .   .   .   parsed_2rvd   1   
         4   1   .   .   .   parsed_2rvd   1   
         5   1   .   .   .   parsed_2rvd   1   
         6   1   .   .   .   parsed_2rvd   1   
         7   1   .   .   .   parsed_2rvd   1   
         8   1   .   .   .   parsed_2rvd   1   
         9   1   .   .   .   parsed_2rvd   1   
        10   1   .   .   .   parsed_2rvd   1   
        11   1   .   .   .   parsed_2rvd   1   
        12   1   .   .   .   parsed_2rvd   1   
        13   1   .   .   .   parsed_2rvd   1   
        14   1   .   .   .   parsed_2rvd   1   
        15   1   .   .   .   parsed_2rvd   1   
        16   1   .   .   .   parsed_2rvd   1   
        17   1   .   .   .   parsed_2rvd   1   
        18   1   .   .   .   parsed_2rvd   1   
        19   1   .   .   .   parsed_2rvd   1   
        20   1   .   .   .   parsed_2rvd   1   
        21   1   .   .   .   parsed_2rvd   1   
        22   1   .   .   .   parsed_2rvd   1   
        23   1   .   .   .   parsed_2rvd   1   
        24   1   .   .   .   parsed_2rvd   1   
        25   1   .   .   .   parsed_2rvd   1   
        26   1   .   .   .   parsed_2rvd   1   
        27   1   .   .   .   parsed_2rvd   1   
        28   1   .   .   .   parsed_2rvd   1   
        29   1   .   .   .   parsed_2rvd   1   
        30   1   .   .   .   parsed_2rvd   1   
        31   1   .   .   .   parsed_2rvd   1   
        32   1   .   .   .   parsed_2rvd   1   
        33   1   .   .   .   parsed_2rvd   1   
        34   1   .   .   .   parsed_2rvd   1   
        35   1   .   .   .   parsed_2rvd   1   
        36   1   .   .   .   parsed_2rvd   1   
        37   1   .   .   .   parsed_2rvd   1   
        38   1   .   .   .   parsed_2rvd   1   
        39   1   .   .   .   parsed_2rvd   1   
        40   1   .   .   .   parsed_2rvd   1   
        41   1   .   .   .   parsed_2rvd   1   
        42   1   .   .   .   parsed_2rvd   1   
        43   1   .   .   .   parsed_2rvd   1   
        44   1   .   .   .   parsed_2rvd   1   
        45   1   .   .   .   parsed_2rvd   1   
        46   1   .   .   .   parsed_2rvd   1   
        47   1   .   .   .   parsed_2rvd   1   
        48   1   .   .   .   parsed_2rvd   1   
        49   1   .   .   .   parsed_2rvd   1   
        50   1   .   .   .   parsed_2rvd   1   
        51   1   .   .   .   parsed_2rvd   1   
        52   1   .   .   .   parsed_2rvd   1   
        53   1   .   .   .   parsed_2rvd   1   
        54   1   .   .   .   parsed_2rvd   1   
        55   1   .   .   .   parsed_2rvd   1   
        56   1   .   .   .   parsed_2rvd   1   
        57   1   .   .   .   parsed_2rvd   1   
        58   1   .   .   .   parsed_2rvd   1   
        59   1   .   .   .   parsed_2rvd   1   
        60   1   .   .   .   parsed_2rvd   1   
        61   1   .   .   .   parsed_2rvd   1   
        62   1   .   .   .   parsed_2rvd   1   
        63   1   .   .   .   parsed_2rvd   1   
        64   1   .   .   .   parsed_2rvd   1   
        65   1   .   .   .   parsed_2rvd   1   
        66   1   .   .   .   parsed_2rvd   1   
        67   1   .   .   .   parsed_2rvd   1   
        68   1   .   .   .   parsed_2rvd   1   
        69   1   .   .   .   parsed_2rvd   1   
        70   1   .   .   .   parsed_2rvd   1   
        71   1   .   .   .   parsed_2rvd   1   
        72   1   .   .   .   parsed_2rvd   1   
        73   1   .   .   .   parsed_2rvd   1   
        74   1   .   .   .   parsed_2rvd   1   
        75   1   .   .   .   parsed_2rvd   1   
        76   1   .   .   .   parsed_2rvd   1   
        77   1   .   .   .   parsed_2rvd   1   
        78   1   .   .   .   parsed_2rvd   1   
        79   1   .   .   .   parsed_2rvd   1   
        80   1   .   .   .   parsed_2rvd   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   .   .   .   .   .   .   .   .   .    9   TRP   H     parsed_2rvd   1   
         1   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HB2   parsed_2rvd   1   
         2   1   1   .   .   .   .   .   .   .   .   .    9   TRP   HB2   parsed_2rvd   1   
         2   1   2   .   .   .   .   .   .   .   .   .   10   TYR   H     parsed_2rvd   1   
         3   1   1   .   .   .   .   .   .   .   .   .    8   THR   H     parsed_2rvd   1   
         3   1   2   .   .   .   .   .   .   .   .   .    8   THR   HB    parsed_2rvd   1   
         4   1   1   .   .   .   .   .   .   .   .   .    9   TRP   HB3   parsed_2rvd   1   
         4   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HD1   parsed_2rvd   1   
         5   1   1   .   .   .   .   .   .   .   .   .    9   TRP   HB2   parsed_2rvd   1   
         5   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HD1   parsed_2rvd   1   
         6   1   1   .   .   .   .   .   .   .   .   .    8   THR   H     parsed_2rvd   1   
         6   1   2   .   .   .   .   .   .   .   .   .    8   THR   QG2   parsed_2rvd   1   
         7   1   1   .   .   .   .   .   .   .   .   .    6   THR   QG2   parsed_2rvd   1   
         7   1   2   .   .   .   .   .   .   .   .   .    7   GLY   H     parsed_2rvd   1   
         8   1   1   .   .   .   .   .   .   .   .   .    8   THR   QG2   parsed_2rvd   1   
         8   1   2   .   .   .   .   .   .   .   .   .   10   TYR   H     parsed_2rvd   1   
         9   1   1   .   .   .   .   .   .   .   .   .    2   TYR   HB3   parsed_2rvd   1   
         9   1   2   .   .   .   .   .   .   .   .   .    3   ASP   H     parsed_2rvd   1   
        10   1   1   .   .   .   .   .   .   .   .   .    2   TYR   HB2   parsed_2rvd   1   
        10   1   2   .   .   .   .   .   .   .   .   .    3   ASP   H     parsed_2rvd   1   
        11   1   1   .   .   .   .   .   .   .   .   .    3   ASP   H     parsed_2rvd   1   
        11   1   2   .   .   .   .   .   .   .   .   .    3   ASP   HB2   parsed_2rvd   1   
        12   1   1   .   .   .   .   .   .   .   .   .    3   ASP   H     parsed_2rvd   1   
        12   1   2   .   .   .   .   .   .   .   .   .    3   ASP   HB3   parsed_2rvd   1   
        13   1   1   .   .   .   .   .   .   .   .   .    4   PRO   QD    parsed_2rvd   1   
        13   1   2   .   .   .   .   .   .   .   .   .    5   GLU   H     parsed_2rvd   1   
        14   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QD    parsed_2rvd   1   
        14   1   2   .   .   .   .   .   .   .   .   .    4   PRO   QB    parsed_2rvd   1   
        15   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QD    parsed_2rvd   1   
        15   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HE1   parsed_2rvd   1   
        16   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        16   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HE1   parsed_2rvd   1   
        17   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        17   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HZ3   parsed_2rvd   1   
        18   1   1   .   .   .   .   .   .   .   .   .    1   TYR   HA    parsed_2rvd   1   
        18   1   2   .   .   .   .   .   .   .   .   .    1   TYR   QD    parsed_2rvd   1   
        19   1   1   .   .   .   .   .   .   .   .   .    8   THR   HB    parsed_2rvd   1   
        19   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QE    parsed_2rvd   1   
        20   1   1   .   .   .   .   .   .   .   .   .    8   THR   QG2   parsed_2rvd   1   
        20   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QE    parsed_2rvd   1   
        21   1   1   .   .   .   .   .   .   .   .   .    2   TYR   HA    parsed_2rvd   1   
        21   1   2   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        22   1   1   .   .   .   .   .   .   .   .   .   10   TYR   H     parsed_2rvd   1   
        22   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QD    parsed_2rvd   1   
        23   1   1   .   .   .   .   .   .   .   .   .    9   TRP   H     parsed_2rvd   1   
        23   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HD1   parsed_2rvd   1   
        24   1   1   .   .   .   .   .   .   .   .   .    7   GLY   H     parsed_2rvd   1   
        24   1   2   .   .   .   .   .   .   .   .   .    8   THR   H     parsed_2rvd   1   
        25   1   1   .   .   .   .   .   .   .   .   .    9   TRP   H     parsed_2rvd   1   
        25   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HE3   parsed_2rvd   1   
        26   1   1   .   .   .   .   .   .   .   .   .    6   THR   H     parsed_2rvd   1   
        26   1   2   .   .   .   .   .   .   .   .   .    7   GLY   H     parsed_2rvd   1   
        27   1   1   .   .   .   .   .   .   .   .   .    5   GLU   H     parsed_2rvd   1   
        27   1   2   .   .   .   .   .   .   .   .   .    6   THR   H     parsed_2rvd   1   
        28   1   1   .   .   .   .   .   .   .   .   .    3   ASP   H     parsed_2rvd   1   
        28   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QD    parsed_2rvd   1   
        29   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        29   1   2   .   .   .   .   .   .   .   .   .    3   ASP   H     parsed_2rvd   1   
        30   1   1   .   .   .   .   .   .   .   .   .    9   TRP   H     parsed_2rvd   1   
        30   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HB3   parsed_2rvd   1   
        31   1   1   .   .   .   .   .   .   .   .   .    9   TRP   HB3   parsed_2rvd   1   
        31   1   2   .   .   .   .   .   .   .   .   .   10   TYR   H     parsed_2rvd   1   
        32   1   1   .   .   .   .   .   .   .   .   .    8   THR   HB    parsed_2rvd   1   
        32   1   2   .   .   .   .   .   .   .   .   .    9   TRP   H     parsed_2rvd   1   
        33   1   1   .   .   .   .   .   .   .   .   .    8   THR   HB    parsed_2rvd   1   
        33   1   2   .   .   .   .   .   .   .   .   .   10   TYR   H     parsed_2rvd   1   
        34   1   1   .   .   .   .   .   .   .   .   .    8   THR   HA    parsed_2rvd   1   
        34   1   2   .   .   .   .   .   .   .   .   .   10   TYR   H     parsed_2rvd   1   
        35   1   1   .   .   .   .   .   .   .   .   .    2   TYR   HA    parsed_2rvd   1   
        35   1   2   .   .   .   .   .   .   .   .   .    3   ASP   H     parsed_2rvd   1   
        36   1   1   .   .   .   .   .   .   .   .   .    8   THR   HA    parsed_2rvd   1   
        36   1   2   .   .   .   .   .   .   .   .   .    9   TRP   H     parsed_2rvd   1   
        37   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QD    parsed_2rvd   1   
        37   1   2   .   .   .   .   .   .   .   .   .    4   PRO   QG    parsed_2rvd   1   
        38   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        38   1   2   .   .   .   .   .   .   .   .   .    4   PRO   QB    parsed_2rvd   1   
        39   1   1   .   .   .   .   .   .   .   .   .    2   TYR   HA    parsed_2rvd   1   
        39   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HA    parsed_2rvd   1   
        40   1   1   .   .   .   .   .   .   .   .   .    6   THR   H     parsed_2rvd   1   
        40   1   2   .   .   .   .   .   .   .   .   .    6   THR   QG2   parsed_2rvd   1   
        41   1   1   .   .   .   .   .   .   .   .   .    8   THR   QG2   parsed_2rvd   1   
        41   1   2   .   .   .   .   .   .   .   .   .    9   TRP   H     parsed_2rvd   1   
        42   1   1   .   .   .   .   .   .   .   .   .    1   TYR   HA    parsed_2rvd   1   
        42   1   2   .   .   .   .   .   .   .   .   .    1   TYR   QE    parsed_2rvd   1   
        43   1   1   .   .   .   .   .   .   .   .   .   10   TYR   HA    parsed_2rvd   1   
        43   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QD    parsed_2rvd   1   
        44   1   1   .   .   .   .   .   .   .   .   .   10   TYR   HA    parsed_2rvd   1   
        44   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QE    parsed_2rvd   1   
        45   1   1   .   .   .   .   .   .   .   .   .    1   TYR   QE    parsed_2rvd   1   
        45   1   2   .   .   .   .   .   .   .   .   .    3   ASP   HA    parsed_2rvd   1   
        46   1   1   .   .   .   .   .   .   .   .   .    1   TYR   QD    parsed_2rvd   1   
        46   1   2   .   .   .   .   .   .   .   .   .    3   ASP   HA    parsed_2rvd   1   
        47   1   1   .   .   .   .   .   .   .   .   .    9   TRP   HA    parsed_2rvd   1   
        47   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HE3   parsed_2rvd   1   
        48   1   1   .   .   .   .   .   .   .   .   .    9   TRP   HA    parsed_2rvd   1   
        48   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HD1   parsed_2rvd   1   
        49   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        49   1   2   .   .   .   .   .   .   .   .   .    4   PRO   QG    parsed_2rvd   1   
        50   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QD    parsed_2rvd   1   
        50   1   2   .   .   .   .   .   .   .   .   .    4   PRO   HA    parsed_2rvd   1   
        51   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        51   1   2   .   .   .   .   .   .   .   .   .    4   PRO   HA    parsed_2rvd   1   
        52   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QD    parsed_2rvd   1   
        52   1   2   .   .   .   .   .   .   .   .   .    4   PRO   QD    parsed_2rvd   1   
        53   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        53   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HA    parsed_2rvd   1   
        54   1   1   .   .   .   .   .   .   .   .   .    2   TYR   HA    parsed_2rvd   1   
        54   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QD    parsed_2rvd   1   
        55   1   1   .   .   .   .   .   .   .   .   .    8   THR   HB    parsed_2rvd   1   
        55   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QD    parsed_2rvd   1   
        56   1   1   .   .   .   .   .   .   .   .   .    6   THR   HB    parsed_2rvd   1   
        56   1   2   .   .   .   .   .   .   .   .   .    8   THR   H     parsed_2rvd   1   
        57   1   1   .   .   .   .   .   .   .   .   .    9   TRP   HA    parsed_2rvd   1   
        57   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QD    parsed_2rvd   1   
        58   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        58   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HE3   parsed_2rvd   1   
        59   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QE    parsed_2rvd   1   
        59   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HD1   parsed_2rvd   1   
        60   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QD    parsed_2rvd   1   
        60   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HE3   parsed_2rvd   1   
        61   1   1   .   .   .   .   .   .   .   .   .    5   GLU   HA    parsed_2rvd   1   
        61   1   2   .   .   .   .   .   .   .   .   .    5   GLU   QG    parsed_2rvd   1   
        62   1   1   .   .   .   .   .   .   .   .   .    3   ASP   HA    parsed_2rvd   1   
        62   1   2   .   .   .   .   .   .   .   .   .    4   PRO   QD    parsed_2rvd   1   
        63   1   1   .   .   .   .   .   .   .   .   .    1   TYR   QE    parsed_2rvd   1   
        63   1   2   .   .   .   .   .   .   .   .   .    3   ASP   QB    parsed_2rvd   1   
        64   1   1   .   .   .   .   .   .   .   .   .    2   TYR   H     parsed_2rvd   1   
        64   1   2   .   .   .   .   .   .   .   .   .    2   TYR   QB    parsed_2rvd   1   
        65   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QB    parsed_2rvd   1   
        65   1   2   .   .   .   .   .   .   .   .   .    4   PRO   QD    parsed_2rvd   1   
        66   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QB    parsed_2rvd   1   
        66   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HE3   parsed_2rvd   1   
        67   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QB    parsed_2rvd   1   
        67   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HZ3   parsed_2rvd   1   
        68   1   1   .   .   .   .   .   .   .   .   .    2   TYR   QD    parsed_2rvd   1   
        68   1   2   .   .   .   .   .   .   .   .   .    9   TRP   QB    parsed_2rvd   1   
        69   1   1   .   .   .   .   .   .   .   .   .    3   ASP   H     parsed_2rvd   1   
        69   1   2   .   .   .   .   .   .   .   .   .    3   ASP   QB    parsed_2rvd   1   
        70   1   1   .   .   .   .   .   .   .   .   .    3   ASP   QB    parsed_2rvd   1   
        70   1   2   .   .   .   .   .   .   .   .   .    5   GLU   H     parsed_2rvd   1   
        71   1   1   .   .   .   .   .   .   .   .   .    3   ASP   QB    parsed_2rvd   1   
        71   1   2   .   .   .   .   .   .   .   .   .    6   THR   HB    parsed_2rvd   1   
        72   1   1   .   .   .   .   .   .   .   .   .    3   ASP   QB    parsed_2rvd   1   
        72   1   2   .   .   .   .   .   .   .   .   .    8   THR   H     parsed_2rvd   1   
        73   1   1   .   .   .   .   .   .   .   .   .    3   ASP   QB    parsed_2rvd   1   
        73   1   2   .   .   .   .   .   .   .   .   .    8   THR   HB    parsed_2rvd   1   
        74   1   1   .   .   .   .   .   .   .   .   .    3   ASP   QB    parsed_2rvd   1   
        74   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QD    parsed_2rvd   1   
        75   1   1   .   .   .   .   .   .   .   .   .    3   ASP   QB    parsed_2rvd   1   
        75   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QE    parsed_2rvd   1   
        76   1   1   .   .   .   .   .   .   .   .   .    9   TRP   H     parsed_2rvd   1   
        76   1   2   .   .   .   .   .   .   .   .   .    9   TRP   QB    parsed_2rvd   1   
        77   1   1   .   .   .   .   .   .   .   .   .    9   TRP   QB    parsed_2rvd   1   
        77   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HD1   parsed_2rvd   1   
        78   1   1   .   .   .   .   .   .   .   .   .    9   TRP   QB    parsed_2rvd   1   
        78   1   2   .   .   .   .   .   .   .   .   .    9   TRP   HE3   parsed_2rvd   1   
        79   1   1   .   .   .   .   .   .   .   .   .    9   TRP   QB    parsed_2rvd   1   
        79   1   2   .   .   .   .   .   .   .   .   .   10   TYR   H     parsed_2rvd   1   
        80   1   1   .   .   .   .   .   .   .   .   .   10   TYR   H     parsed_2rvd   1   
        80   1   2   .   .   .   .   .   .   .   .   .   10   TYR   QB    parsed_2rvd   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   .   .   3.75   parsed_2rvd   1   
         2   1   .   .   .   .   .   .   .   4.66   parsed_2rvd   1   
         3   1   .   .   .   .   .   .   .   3.61   parsed_2rvd   1   
         4   1   .   .   .   .   .   .   .   3.82   parsed_2rvd   1   
         5   1   .   .   .   .   .   .   .   3.82   parsed_2rvd   1   
         6   1   .   .   .   .   .   .   .   4.51   parsed_2rvd   1   
         7   1   .   .   .   .   .   .   .   4.75   parsed_2rvd   1   
         8   1   .   .   .   .   .   .   .   4.82   parsed_2rvd   1   
         9   1   .   .   .   .   .   .   .   4.82   parsed_2rvd   1   
        10   1   .   .   .   .   .   .   .   4.82   parsed_2rvd   1   
        11   1   .   .   .   .   .   .   .   3.56   parsed_2rvd   1   
        12   1   .   .   .   .   .   .   .   3.56   parsed_2rvd   1   
        13   1   .   .   .   .   .   .   .   3.66   parsed_2rvd   1   
        14   1   .   .   .   .   .   .   .   4.26   parsed_2rvd   1   
        15   1   .   .   .   .   .   .   .   5.02   parsed_2rvd   1   
        16   1   .   .   .   .   .   .   .   4.68   parsed_2rvd   1   
        17   1   .   .   .   .   .   .   .   5.50   parsed_2rvd   1   
        18   1   .   .   .   .   .   .   .   3.81   parsed_2rvd   1   
        19   1   .   .   .   .   .   .   .   4.39   parsed_2rvd   1   
        20   1   .   .   .   .   .   .   .   4.66   parsed_2rvd   1   
        21   1   .   .   .   .   .   .   .   4.51   parsed_2rvd   1   
        22   1   .   .   .   .   .   .   .   3.74   parsed_2rvd   1   
        23   1   .   .   .   .   .   .   .   4.74   parsed_2rvd   1   
        24   1   .   .   .   .   .   .   .   3.44   parsed_2rvd   1   
        25   1   .   .   .   .   .   .   .   5.37   parsed_2rvd   1   
        26   1   .   .   .   .   .   .   .   2.82   parsed_2rvd   1   
        27   1   .   .   .   .   .   .   .   3.29   parsed_2rvd   1   
        28   1   .   .   .   .   .   .   .   4.97   parsed_2rvd   1   
        29   1   .   .   .   .   .   .   .   4.37   parsed_2rvd   1   
        30   1   .   .   .   .   .   .   .   3.75   parsed_2rvd   1   
        31   1   .   .   .   .   .   .   .   4.66   parsed_2rvd   1   
        32   1   .   .   .   .   .   .   .   4.16   parsed_2rvd   1   
        33   1   .   .   .   .   .   .   .   5.02   parsed_2rvd   1   
        34   1   .   .   .   .   .   .   .   5.50   parsed_2rvd   1   
        35   1   .   .   .   .   .   .   .   3.13   parsed_2rvd   1   
        36   1   .   .   .   .   .   .   .   2.94   parsed_2rvd   1   
        37   1   .   .   .   .   .   .   .   4.85   parsed_2rvd   1   
        38   1   .   .   .   .   .   .   .   3.22   parsed_2rvd   1   
        39   1   .   .   .   .   .   .   .   4.10   parsed_2rvd   1   
        40   1   .   .   .   .   .   .   .   4.06   parsed_2rvd   1   
        41   1   .   .   .   .   .   .   .   4.14   parsed_2rvd   1   
        42   1   .   .   .   .   .   .   .   4.74   parsed_2rvd   1   
        43   1   .   .   .   .   .   .   .   3.64   parsed_2rvd   1   
        44   1   .   .   .   .   .   .   .   5.50   parsed_2rvd   1   
        45   1   .   .   .   .   .   .   .   3.96   parsed_2rvd   1   
        46   1   .   .   .   .   .   .   .   4.32   parsed_2rvd   1   
        47   1   .   .   .   .   .   .   .   3.93   parsed_2rvd   1   
        48   1   .   .   .   .   .   .   .   4.55   parsed_2rvd   1   
        49   1   .   .   .   .   .   .   .   5.21   parsed_2rvd   1   
        50   1   .   .   .   .   .   .   .   3.76   parsed_2rvd   1   
        51   1   .   .   .   .   .   .   .   4.78   parsed_2rvd   1   
        52   1   .   .   .   .   .   .   .   5.01   parsed_2rvd   1   
        53   1   .   .   .   .   .   .   .   4.41   parsed_2rvd   1   
        54   1   .   .   .   .   .   .   .   5.50   parsed_2rvd   1   
        55   1   .   .   .   .   .   .   .   4.93   parsed_2rvd   1   
        56   1   .   .   .   .   .   .   .   4.87   parsed_2rvd   1   
        57   1   .   .   .   .   .   .   .   4.94   parsed_2rvd   1   
        58   1   .   .   .   .   .   .   .   4.82   parsed_2rvd   1   
        59   1   .   .   .   .   .   .   .   3.98   parsed_2rvd   1   
        60   1   .   .   .   .   .   .   .   4.45   parsed_2rvd   1   
        61   1   .   .   .   .   .   .   .   4.00   parsed_2rvd   1   
        62   1   .   .   .   .   .   .   .   3.25   parsed_2rvd   1   
        63   1   .   .   .   .   .   .   .   4.73   parsed_2rvd   1   
        64   1   .   .   .   .   .   .   .   3.68   parsed_2rvd   1   
        65   1   .   .   .   .   .   .   .   4.42   parsed_2rvd   1   
        66   1   .   .   .   .   .   .   .   4.53   parsed_2rvd   1   
        67   1   .   .   .   .   .   .   .   4.27   parsed_2rvd   1   
        68   1   .   .   .   .   .   .   .   5.04   parsed_2rvd   1   
        69   1   .   .   .   .   .   .   .   3.10   parsed_2rvd   1   
        70   1   .   .   .   .   .   .   .   4.62   parsed_2rvd   1   
        71   1   .   .   .   .   .   .   .   4.52   parsed_2rvd   1   
        72   1   .   .   .   .   .   .   .   3.61   parsed_2rvd   1   
        73   1   .   .   .   .   .   .   .   4.33   parsed_2rvd   1   
        74   1   .   .   .   .   .   .   .   4.66   parsed_2rvd   1   
        75   1   .   .   .   .   .   .   .   3.76   parsed_2rvd   1   
        76   1   .   .   .   .   .   .   .   3.04   parsed_2rvd   1   
        77   1   .   .   .   .   .   .   .   3.33   parsed_2rvd   1   
        78   1   .   .   .   .   .   .   .   3.44   parsed_2rvd   1   
        79   1   .   .   .   .   .   .   .   4.03   parsed_2rvd   1   
        80   1   .   .   .   .   .   .   .   3.54   parsed_2rvd   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     2 #SUP  0.95  #QF  0.95"     1   49    1   81   parsed_2rvd   1   
         2   "peak     6 #SUP  0.96  #QF  0.96"     2   49    2   81   parsed_2rvd   1   
         3   "peak     7 #SUP  0.97  #QF  0.97"     3   49    3   81   parsed_2rvd   1   
         4   "peak    13 #SUP  0.95  #QF  0.95"     4   49    4   81   parsed_2rvd   1   
         5   "peak    14 #SUP  0.95  #QF  0.95"     5   49    5   81   parsed_2rvd   1   
         6   "peak    21 #SUP  0.96  #QF  0.96"     6   49    6   81   parsed_2rvd   1   
         7   "peak    23 #SUP  0.99  #QF  0.99"     7   49    7   81   parsed_2rvd   1   
         8   "peak    24 #SUP  0.69  #QF  0.69"     8   49    8   81   parsed_2rvd   1   
         9   "peak    28 #SUP  0.80  #QF  0.80"     9   49    9   81   parsed_2rvd   1   
        10   "peak    29 #SUP  0.79  #QF  0.79"    10   49   10   81   parsed_2rvd   1   
        11   "peak    30 #SUP  0.82  #QF  0.82"    11   49   11   81   parsed_2rvd   1   
        12   "peak    31 #SUP  0.88  #QF  0.88"    12   49   12   81   parsed_2rvd   1   
        13   "peak    59 #SUP  0.65  #QF  0.65"    13   49   13   81   parsed_2rvd   1   
        14   "peak    61 #SUP  1.00  #QF  0.98"    14   49   14   81   parsed_2rvd   1   
        15   "peak    77 #SUP  0.94  #QF  0.94"    15   49   15   81   parsed_2rvd   1   
        16   "peak    78 #SUP  0.95  #QF  0.95"    16   49   16   81   parsed_2rvd   1   
        17   "peak    83 #SUP  0.42  #QF  0.42"    17   49   17   81   parsed_2rvd   1   
        18   "peak    93 #SUP  0.92  #QF  0.92"    18   49   18   81   parsed_2rvd   1   
        19   "peak   104 #SUP  0.69  #QF  0.69"    19   49   19   81   parsed_2rvd   1   
        20   "peak   105 #SUP  0.83  #QF  0.83"    20   49   20   81   parsed_2rvd   1   
        21   "peak   111 #SUP  0.80  #QF  0.80"    21   49   21   81   parsed_2rvd   1   
        22   "peak   116 #SUP  0.53  #QF  0.53"    22   49   22   81   parsed_2rvd   1   
        23   "peak   117 #SUP  0.83  #QF  0.83"    23   49   23   81   parsed_2rvd   1   
        24   "peak   118 #SUP  0.58  #QF  0.45"    24   49   24   81   parsed_2rvd   1   
        25   "peak   121 #SUP  0.98  #QF  0.98"    25   49   25   81   parsed_2rvd   1   
        26   "peak   124 #SUP  0.41  #QF  0.41"    26   49   26   81   parsed_2rvd   1   
        27   "peak   125 #SUP  0.88  #QF  0.88"    27   49   27   81   parsed_2rvd   1   
        28   "peak   127 #SUP  0.61  #QF  0.61"    28   49   28   81   parsed_2rvd   1   
        29   "peak   128 #SUP  0.82  #QF  0.82"    29   49   29   81   parsed_2rvd   1   
        30   "peak   130 #SUP  0.59  #QF  0.59"    30   49   30   81   parsed_2rvd   1   
        31   "peak   133 #SUP  0.68  #QF  0.68"    31   49   31   81   parsed_2rvd   1   
        32   "peak   152 #SUP  0.98  #QF  0.98"    32   49   32   81   parsed_2rvd   1   
        33   "peak   153 #SUP  0.40  #QF  0.40"    33   49   33   81   parsed_2rvd   1   
        34   "peak   164 #SUP  0.58  #QF  0.58"    34   49   34   81   parsed_2rvd   1   
        35   "peak   166 #SUP  0.83  #QF  0.83"    35   49   35   81   parsed_2rvd   1   
        36   "peak   168 #SUP  0.87  #QF  0.87"    36   49   36   81   parsed_2rvd   1   
        37   "peak   180 #SUP  0.47  #QF  0.47"    37   49   37   81   parsed_2rvd   1   
        38   "peak   182 #SUP  0.92  #QF  0.92"    38   49   38   81   parsed_2rvd   1   
        39   "peak   192 #SUP  0.52  #QF  0.52"    39   49   39   81   parsed_2rvd   1   
        40   "peak   229 #SUP  0.89  #QF  0.89"    40   49   40   81   parsed_2rvd   1   
        41   "peak   231 #SUP  0.85  #QF  0.85"    41   49   41   81   parsed_2rvd   1   
        42   "peak    31 #SUP  0.83  #QF  0.83"    42   49   42   81   parsed_2rvd   1   
        43   "peak    32 #SUP  0.88  #QF  0.88"    43   49   43   81   parsed_2rvd   1   
        44   "peak    33 #SUP  0.98  #QF  0.98"    44   49   44   81   parsed_2rvd   1   
        45   "peak    35 #SUP  0.67  #QF  0.67"    45   49   45   81   parsed_2rvd   1   
        46   "peak    37 #SUP  0.78  #QF  0.78"    46   49   46   81   parsed_2rvd   1   
        47   "peak    40 #SUP  0.68  #QF  0.68"    47   49   47   81   parsed_2rvd   1   
        48   "peak    41 #SUP  0.81  #QF  0.81"    48   49   48   81   parsed_2rvd   1   
        49   "peak    44 #SUP  0.85  #QF  0.67"    49   49   49   81   parsed_2rvd   1   
        50   "peak    45 #SUP  0.85  #QF  0.85"    50   49   50   81   parsed_2rvd   1   
        51   "peak    46 #SUP  0.89  #QF  0.89"    51   49   51   81   parsed_2rvd   1   
        52   "peak    48 #SUP  0.47  #QF  0.47"    52   49   52   81   parsed_2rvd   1   
        53   "peak    51 #SUP  0.84  #QF  0.84"    53   49   53   81   parsed_2rvd   1   
        54   "peak    56 #SUP  0.54  #QF  0.54"    54   49   54   81   parsed_2rvd   1   
        55   "peak    57 #SUP  0.63  #QF  0.63"    55   49   55   81   parsed_2rvd   1   
        56   "peak    60 #SUP  0.29  #QF  0.29"    56   49   56   81   parsed_2rvd   1   
        57   "peak    69 #SUP  0.73  #QF  0.73"    57   49   57   81   parsed_2rvd   1   
        58   "peak    77 #SUP  0.72  #QF  0.72"    58   49   58   81   parsed_2rvd   1   
        59   "peak    78 #SUP  0.81  #QF  0.81"    59   49   59   81   parsed_2rvd   1   
        60   "peak    80 #SUP  0.72  #QF  0.72"    60   49   60   81   parsed_2rvd   1   
        61   "peak   104 #SUP  0.69  #QF  0.69"    61   49   61   81   parsed_2rvd   1   
        62   "peak   118 #SUP  0.89  #QF  0.89"    62   49   62   81   parsed_2rvd   1   
        63   "peak    98"                          63   49   63   59   parsed_2rvd   1   
        64   "peak    34"                          64   49   64   59   parsed_2rvd   1   
        65   "peak   206"                          65   49   65   59   parsed_2rvd   1   
        66   "peak    17"                          66   49   66   59   parsed_2rvd   1   
        67   "peak    86"                          67   49   67   59   parsed_2rvd   1   
        68   "peak    53"                          68   49   68   59   parsed_2rvd   1   
        69   "peak    31"                          69   49   69   59   parsed_2rvd   1   
        70   "peak   112"                          70   49   70   59   parsed_2rvd   1   
        71   "peak    91"                          71   49   71   59   parsed_2rvd   1   
        72   "peak    15"                          72   49   72   59   parsed_2rvd   1   
        73   "peak   205"                          73   49   73   59   parsed_2rvd   1   
        74   "peak   184"                          74   49   74   59   parsed_2rvd   1   
        75   "peak   103"                          75   49   75   59   parsed_2rvd   1   
        76   "peak     2"                          76   49   76   59   parsed_2rvd   1   
        77   "peak    14"                          77   49   77   59   parsed_2rvd   1   
        78   "peak    19"                          78   49   78   59   parsed_2rvd   1   
        79   "peak   133"                          79   49   79   59   parsed_2rvd   1   
        80   "peak    57"                          80   49   80   59   parsed_2rvd   1   
    stop_

save_





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