NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype item_count
31832 1f40 cing 2-parsed STAR entry full 74


data_1f40_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1f40 
    _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_1f40   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1f40 
    _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   1f40   "Master copy"    parsed_1f40   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1f40 
    _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   1f40.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_1f40   1   
        1   1f40.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               74   parsed_1f40   1   
        1   1f40.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1f40   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_1f40 
    _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    ISOMERASE                               07-JUN-00   1F40              
*TITLE     SOLUTION STRUCTURE OF FKBP12 COMPLEXED WITH GPI-1046, A               
*TITLE    2 NEUROTROPHIC LIGAND                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FK506 BINDING PROTEIN (FKBP12);                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: PROTEIN COORDINATES WERE TAKEN FROM THE               
*COMPND   6 CRYSTAL STRUCTURE BY HOLT ET AL. (1993, PDB ACCESSION CODE           
*COMPND   7 1FKG).                                                               
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGAN: BRAIN;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PARS-3                                    
*KEYWDS    ISOMERASE                                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    C.SICH, S.IMPROTA, D.J.COWLEY, C.GUENET, J.P.MERLY,                   
*AUTHOR   2 M.TEUFEL, V.SAUDEK                                                   
*REVDAT   1   08-NOV-00 1F40    0                                                
;

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1f40 
    _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_1f40   1   
         2   1   .   .   .   parsed_1f40   1   
         3   1   .   .   .   parsed_1f40   1   
         4   1   .   .   .   parsed_1f40   1   
         5   1   .   .   .   parsed_1f40   1   
         6   1   .   .   .   parsed_1f40   1   
         7   1   .   .   .   parsed_1f40   1   
         8   1   .   .   .   parsed_1f40   1   
         9   1   .   .   .   parsed_1f40   1   
        10   1   .   .   .   parsed_1f40   1   
        11   1   .   .   .   parsed_1f40   1   
        12   1   .   .   .   parsed_1f40   1   
        13   1   .   .   .   parsed_1f40   1   
        14   1   .   .   .   parsed_1f40   1   
        15   1   .   .   .   parsed_1f40   1   
        16   1   .   .   .   parsed_1f40   1   
        17   1   .   .   .   parsed_1f40   1   
        18   1   .   .   .   parsed_1f40   1   
        19   1   .   .   .   parsed_1f40   1   
        20   1   .   .   .   parsed_1f40   1   
        21   1   .   .   .   parsed_1f40   1   
        22   1   .   .   .   parsed_1f40   1   
        23   1   .   .   .   parsed_1f40   1   
        24   1   .   .   .   parsed_1f40   1   
        25   1   .   .   .   parsed_1f40   1   
        26   1   .   .   .   parsed_1f40   1   
        27   1   .   .   .   parsed_1f40   1   
        28   1   .   .   .   parsed_1f40   1   
        29   1   .   .   .   parsed_1f40   1   
        30   1   .   .   .   parsed_1f40   1   
        31   1   .   .   .   parsed_1f40   1   
        32   1   .   .   .   parsed_1f40   1   
        33   1   .   .   .   parsed_1f40   1   
        34   1   .   .   .   parsed_1f40   1   
        35   1   .   .   .   parsed_1f40   1   
        36   1   .   .   .   parsed_1f40   1   
        37   1   .   .   .   parsed_1f40   1   
        38   1   .   .   .   parsed_1f40   1   
        39   1   .   .   .   parsed_1f40   1   
        40   1   .   .   .   parsed_1f40   1   
        41   1   .   .   .   parsed_1f40   1   
        42   1   .   .   .   parsed_1f40   1   
        43   1   .   .   .   parsed_1f40   1   
        44   1   .   .   .   parsed_1f40   1   
        45   1   .   .   .   parsed_1f40   1   
        46   1   .   .   .   parsed_1f40   1   
        47   1   .   .   .   parsed_1f40   1   
        48   1   .   .   .   parsed_1f40   1   
        49   1   .   .   .   parsed_1f40   1   
        50   1   .   .   .   parsed_1f40   1   
        51   1   .   .   .   parsed_1f40   1   
        52   1   .   .   .   parsed_1f40   1   
        53   1   .   .   .   parsed_1f40   1   
        54   1   .   .   .   parsed_1f40   1   
        55   1   .   .   .   parsed_1f40   1   
        56   1   .   .   .   parsed_1f40   1   
        57   1   .   .   .   parsed_1f40   1   
        58   1   .   .   .   parsed_1f40   1   
        59   1   .   .   .   parsed_1f40   1   
        60   1   .   .   .   parsed_1f40   1   
        61   1   .   .   .   parsed_1f40   1   
        62   1   .   .   .   parsed_1f40   1   
        63   1   .   .   .   parsed_1f40   1   
        64   1   .   .   .   parsed_1f40   1   
        65   1   .   .   .   parsed_1f40   1   
        66   1   .   .   .   parsed_1f40   1   
        67   1   .   .   .   parsed_1f40   1   
        68   1   .   .   .   parsed_1f40   1   
        69   1   .   .   .   parsed_1f40   1   
        70   1   .   .   .   parsed_1f40   1   
        71   1   .   .   .   parsed_1f40   1   
        72   1   .   .   .   parsed_1f40   1   
        73   1   .   .   .   parsed_1f40   1   
        74   1   .   .   .   parsed_1f40   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   .   .   .   .   .   .   .   .   .    56   .   HG2*   parsed_1f40   1   
         1   1   2   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
         1   1   2   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
         2   1   1   .   .   .   .   .   .   .   .   .    56   .   HG2*   parsed_1f40   1   
         2   1   2   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
         3   1   1   .   .   .   .   .   .   .   .   .    55   .   HG1*   parsed_1f40   1   
         3   1   2   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
         4   1   1   .   .   .   .   .   .   .   .   .    55   .   HG1*   parsed_1f40   1   
         4   1   2   .   .   .   .   .   .   .   .   .   108   .   H31    parsed_1f40   1   
         5   1   1   .   .   .   .   .   .   .   .   .    55   .   HG1*   parsed_1f40   1   
         5   1   2   .   .   .   .   .   .   .   .   .   108   .   H2     parsed_1f40   1   
         6   1   1   .   .   .   .   .   .   .   .   .    55   .   HG1*   parsed_1f40   1   
         6   1   2   .   .   .   .   .   .   .   .   .   108   .   H42    parsed_1f40   1   
         7   1   1   .   .   .   .   .   .   .   .   .    91   .   HD1*   parsed_1f40   1   
         7   1   2   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
         8   1   1   .   .   .   .   .   .   .   .   .    90   .   HD1*   parsed_1f40   1   
         8   1   2   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
         9   1   1   .   .   .   .   .   .   .   .   .    90   .   HG2*   parsed_1f40   1   
         9   1   2   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
        10   1   1   .   .   .   .   .   .   .   .   .    56   .   HG2*   parsed_1f40   1   
        10   1   2   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        11   1   1   .   .   .   .   .   .   .   .   .    59   .   HZ2    parsed_1f40   1   
        11   1   2   .   .   .   .   .   .   .   .   .   108   .   H41    parsed_1f40   1   
        12   1   1   .   .   .   .   .   .   .   .   .   108   .   H15*   parsed_1f40   1   
        12   1   2   .   .   .   .   .   .   .   .   .    55   .   HG1*   parsed_1f40   1   
        12   1   2   .   .   .   .   .   .   .   .   .    56   .   HG2*   parsed_1f40   1   
        13   1   1   .   .   .   .   .   .   .   .   .    82   .   HE*    parsed_1f40   1   
        13   1   1   .   .   .   .   .   .   .   .   .    87   .   HD2    parsed_1f40   1   
        13   1   2   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
        14   1   1   .   .   .   .   .   .   .   .   .    87   .   HD2    parsed_1f40   1   
        14   1   2   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        14   1   2   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        15   1   1   .   .   .   .   .   .   .   .   .   108   .   H32    parsed_1f40   1   
        15   1   2   .   .   .   .   .   .   .   .   .    46   .   HE*    parsed_1f40   1   
        15   1   2   .   .   .   .   .   .   .   .   .    46   .   HZ     parsed_1f40   1   
        16   1   1   .   .   .   .   .   .   .   .   .   108   .   H22    parsed_1f40   1   
        16   1   2   .   .   .   .   .   .   .   .   .    55   .   HA     parsed_1f40   1   
        17   1   1   .   .   .   .   .   .   .   .   .    82   .   HE*    parsed_1f40   1   
        17   1   1   .   .   .   .   .   .   .   .   .    87   .   HD2    parsed_1f40   1   
        17   1   2   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
        17   1   2   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        18   1   1   .   .   .   .   .   .   .   .   .   108   .   H22    parsed_1f40   1   
        18   1   2   .   .   .   .   .   .   .   .   .    56   .   HG2*   parsed_1f40   1   
        19   1   1   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        19   1   1   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        19   1   2   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
        19   1   2   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        20   1   1   .   .   .   .   .   .   .   .   .   108   .   H162   parsed_1f40   1   
        20   1   2   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        21   1   1   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        21   1   2   .   .   .   .   .   .   .   .   .   108   .   H161   parsed_1f40   1   
        22   1   1   .   .   .   .   .   .   .   .   .   108   .   H2     parsed_1f40   1   
        22   1   2   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        22   1   2   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        23   1   1   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        23   1   2   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
        23   1   2   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        24   1   1   .   .   .   .   .   .   .   .   .   108   .   H52    parsed_1f40   1   
        24   1   2   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
        25   1   1   .   .   .   .   .   .   .   .   .   108   .   H51    parsed_1f40   1   
        25   1   2   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
        26   1   1   .   .   .   .   .   .   .   .   .   108   .   H2     parsed_1f40   1   
        26   1   2   .   .   .   .   .   .   .   .   .   108   .   H42    parsed_1f40   1   
        27   1   1   .   .   .   .   .   .   .   .   .   108   .   H51    parsed_1f40   1   
        27   1   2   .   .   .   .   .   .   .   .   .   108   .   H31    parsed_1f40   1   
        28   1   1   .   .   .   .   .   .   .   .   .   108   .   H52    parsed_1f40   1   
        28   1   2   .   .   .   .   .   .   .   .   .   108   .   H31    parsed_1f40   1   
        29   1   1   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
        29   1   2   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        29   1   2   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        30   1   1   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
        30   1   1   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        30   1   2   .   .   .   .   .   .   .   .   .   108   .   H161   parsed_1f40   1   
        31   1   1   .   .   .   .   .   .   .   .   .   108   .   H22    parsed_1f40   1   
        31   1   2   .   .   .   .   .   .   .   .   .   108   .   H15*   parsed_1f40   1   
        32   1   1   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
        32   1   2   .   .   .   .   .   .   .   .   .   108   .   H162   parsed_1f40   1   
        33   1   1   .   .   .   .   .   .   .   .   .   108   .   H32    parsed_1f40   1   
        33   1   2   .   .   .   .   .   .   .   .   .   108   .   H51    parsed_1f40   1   
        34   1   1   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
        34   1   2   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
        34   1   2   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        35   1   1   .   .   .   .   .   .   .   .   .   108   .   H15*   parsed_1f40   1   
        35   1   2   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
        35   1   2   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        36   1   1   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
        36   1   2   .   .   .   .   .   .   .   .   .   108   .   H22    parsed_1f40   1   
        37   1   1   .   .   .   .   .   .   .   .   .   108   .   H162   parsed_1f40   1   
        37   1   2   .   .   .   .   .   .   .   .   .   108   .   H22    parsed_1f40   1   
        38   1   1   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
        38   1   1   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        38   1   2   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        39   1   1   .   .   .   .   .   .   .   .   .   108   .   H22    parsed_1f40   1   
        39   1   2   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        40   1   1   .   .   .   .   .   .   .   .   .   108   .   H15*   parsed_1f40   1   
        40   1   2   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        40   1   2   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        41   1   1   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        41   1   1   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        41   1   2   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
        42   1   1   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        42   1   1   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        42   1   2   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        43   1   1   .   .   .   .   .   .   .   .   .   108   .   H102   parsed_1f40   1   
        43   1   2   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
        44   1   1   .   .   .   .   .   .   .   .   .   108   .   H11*   parsed_1f40   1   
        44   1   2   .   .   .   .   .   .   .   .   .   108   .   H101   parsed_1f40   1   
        45   1   1   .   .   .   .   .   .   .   .   .   108   .   H51    parsed_1f40   1   
        45   1   2   .   .   .   .   .   .   .   .   .   108   .   H2     parsed_1f40   1   
        46   1   1   .   .   .   .   .   .   .   .   .   108   .   H52    parsed_1f40   1   
        46   1   2   .   .   .   .   .   .   .   .   .   108   .   H32    parsed_1f40   1   
        47   1   1   .   .   .   .   .   .   .   .   .   108   .   H41    parsed_1f40   1   
        47   1   2   .   .   .   .   .   .   .   .   .   108   .   H32    parsed_1f40   1   
        48   1   1   .   .   .   .   .   .   .   .   .   108   .   H51    parsed_1f40   1   
        48   1   2   .   .   .   .   .   .   .   .   .   108   .   H42    parsed_1f40   1   
        49   1   1   .   .   .   .   .   .   .   .   .   108   .   H52    parsed_1f40   1   
        49   1   2   .   .   .   .   .   .   .   .   .   108   .   H41    parsed_1f40   1   
        50   1   1   .   .   .   .   .   .   .   .   .   108   .   H2     parsed_1f40   1   
        50   1   2   .   .   .   .   .   .   .   .   .   108   .   H41    parsed_1f40   1   
        51   1   1   .   .   .   .   .   .   .   .   .   108   .   H31    parsed_1f40   1   
        51   1   2   .   .   .   .   .   .   .   .   .   108   .   H41    parsed_1f40   1   
        52   1   1   .   .   .   .   .   .   .   .   .   108   .   H42    parsed_1f40   1   
        52   1   2   .   .   .   .   .   .   .   .   .   108   .   H31    parsed_1f40   1   
        53   1   1   .   .   .   .   .   .   .   .   .   108   .   H18    parsed_1f40   1   
        53   1   1   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        53   1   2   .   .   .   .   .   .   .   .   .   108   .   H162   parsed_1f40   1   
        54   1   1   .   .   .   .   .   .   .   .   .   108   .   H22    parsed_1f40   1   
        54   1   2   .   .   .   .   .   .   .   .   .   108   .   H161   parsed_1f40   1   
        55   1   1   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
        55   1   2   .   .   .   .   .   .   .   .   .   108   .   H161   parsed_1f40   1   
        56   1   1   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        56   1   2   .   .   .   .   .   .   .   .   .   108   .   H15*   parsed_1f40   1   
        57   1   1   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
        57   1   2   .   .   .   .   .   .   .   .   .   108   .   H15*   parsed_1f40   1   
        58   1   1   .   .   .   .   .   .   .   .   .   108   .   H51    parsed_1f40   1   
        58   1   2   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        58   1   2   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        59   1   1   .   .   .   .   .   .   .   .   .   108   .   H52    parsed_1f40   1   
        59   1   2   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        59   1   2   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        60   1   1   .   .   .   .   .   .   .   .   .   108   .   H20    parsed_1f40   1   
        60   1   2   .   .   .   .   .   .   .   .   .   108   .   H21    parsed_1f40   1   
        61   1   1   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        61   1   1   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        61   1   2   .   .   .   .   .   .   .   .   .   108   .   H102   parsed_1f40   1   
        62   1   1   .   .   .   .   .   .   .   .   .   108   .   H32    parsed_1f40   1   
        62   1   2   .   .   .   .   .   .   .   .   .   108   .   H2     parsed_1f40   1   
        63   1   1   .   .   .   .   .   .   .   .   .   108   .   H31    parsed_1f40   1   
        63   1   2   .   .   .   .   .   .   .   .   .   108   .   H32    parsed_1f40   1   
        64   1   1   .   .   .   .   .   .   .   .   .   108   .   H52    parsed_1f40   1   
        64   1   2   .   .   .   .   .   .   .   .   .   108   .   H42    parsed_1f40   1   
        65   1   1   .   .   .   .   .   .   .   .   .   108   .   H32    parsed_1f40   1   
        65   1   2   .   .   .   .   .   .   .   .   .   108   .   H42    parsed_1f40   1   
        66   1   1   .   .   .   .   .   .   .   .   .   108   .   H51    parsed_1f40   1   
        66   1   2   .   .   .   .   .   .   .   .   .   108   .   H41    parsed_1f40   1   
        67   1   1   .   .   .   .   .   .   .   .   .   108   .   H42    parsed_1f40   1   
        67   1   2   .   .   .   .   .   .   .   .   .   108   .   H41    parsed_1f40   1   
        68   1   1   .   .   .   .   .   .   .   .   .   108   .   H31    parsed_1f40   1   
        68   1   2   .   .   .   .   .   .   .   .   .   108   .   H2     parsed_1f40   1   
        69   1   1   .   .   .   .   .   .   .   .   .   108   .   H141   parsed_1f40   1   
        69   1   2   .   .   .   .   .   .   .   .   .   108   .   H142   parsed_1f40   1   
        70   1   1   .   .   .   .   .   .   .   .   .   108   .   H15*   parsed_1f40   1   
        70   1   2   .   .   .   .   .   .   .   .   .   108   .   H162   parsed_1f40   1   
        71   1   1   .   .   .   .   .   .   .   .   .   108   .   H15*   parsed_1f40   1   
        71   1   2   .   .   .   .   .   .   .   .   .   108   .   H161   parsed_1f40   1   
        72   1   1   .   .   .   .   .   .   .   .   .   108   .   H21    parsed_1f40   1   
        72   1   2   .   .   .   .   .   .   .   .   .   108   .   H22    parsed_1f40   1   
        73   1   1   .   .   .   .   .   .   .   .   .   108   .   H101   parsed_1f40   1   
        73   1   2   .   .   .   .   .   .   .   .   .   108   .   H102   parsed_1f40   1   
        74   1   1   .   .   .   .   .   .   .   .   .   108   .   H12*   parsed_1f40   1   
        74   1   1   .   .   .   .   .   .   .   .   .   108   .   H13*   parsed_1f40   1   
        74   1   2   .   .   .   .   .   .   .   .   .   108   .   H101   parsed_1f40   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   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
         2   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
         3   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
         4   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
         5   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
         6   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
         7   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
         8   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
         9   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        10   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        11   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        12   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        13   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        14   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        15   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        16   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        17   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        18   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        19   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        20   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        21   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        22   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        23   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        24   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        25   1   .   .   .   .   .   5.00   0.00   5.50   parsed_1f40   1   
        26   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        27   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        28   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        29   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        30   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        31   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        32   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        33   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        34   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        35   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        36   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        37   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        38   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        39   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        40   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        41   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        42   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        43   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        44   1   .   .   .   .   .   4.00   0.00   4.50   parsed_1f40   1   
        45   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        46   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        47   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        48   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        49   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        50   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        51   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        52   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        53   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        54   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        55   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        56   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        57   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        58   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        59   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        60   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        61   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        62   1   .   .   .   .   .   3.00   0.00   3.50   parsed_1f40   1   
        63   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        64   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        65   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        66   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        67   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        68   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        69   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        70   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        71   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        72   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        73   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
        74   1   .   .   .   .   .   2.30   0.00   2.80   parsed_1f40   1   
    stop_

save_





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