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
629287 6b9k 30350 cing 2-parsed STAR entry full 88


data_6b9k_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6b9k 
    _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_6b9k   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6b9k 
    _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   6b9k   "Master copy"    parsed_6b9k   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6b9k 
    _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   6b9k.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_6b9k   1   
        1   6b9k.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             88   parsed_6b9k   1   
        1   6b9k.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_6b9k   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_6b9k 
    _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    PEPTIDE BINDING PROTEIN                 10-OCT-17   6B9K              
*TITLE     SOLUTION NMR STRUCTURE OF UNBOUND P18-I10                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;                 
*SOURCE   3 ORGANISM_TAXID: 11676;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET3A                                     
*KEYWDS    STRUCTURE FROM CYANA 2.1, PEPTIDE BINDING PROTEIN                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.FLORES-SOLIS,A.MCSHAN,N.SGOURAKIS                                   
*REVDAT   1   25-JUL-18 6B9K    0                                                
;

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_6b9k 
    _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_6b9k   1   
         2   1   .   .   .   parsed_6b9k   1   
         3   1   .   .   .   parsed_6b9k   1   
         4   1   .   .   .   parsed_6b9k   1   
         5   1   .   .   .   parsed_6b9k   1   
         6   1   .   .   .   parsed_6b9k   1   
         7   1   .   .   .   parsed_6b9k   1   
         8   1   .   .   .   parsed_6b9k   1   
         9   1   .   .   .   parsed_6b9k   1   
        10   1   .   .   .   parsed_6b9k   1   
        11   1   .   .   .   parsed_6b9k   1   
        12   1   .   .   .   parsed_6b9k   1   
        13   1   .   .   .   parsed_6b9k   1   
        14   1   .   .   .   parsed_6b9k   1   
        15   1   .   .   .   parsed_6b9k   1   
        16   1   .   .   .   parsed_6b9k   1   
        17   1   .   .   .   parsed_6b9k   1   
        18   1   .   .   .   parsed_6b9k   1   
        19   1   .   .   .   parsed_6b9k   1   
        20   1   .   .   .   parsed_6b9k   1   
        21   1   .   .   .   parsed_6b9k   1   
        22   1   .   .   .   parsed_6b9k   1   
        23   1   .   .   .   parsed_6b9k   1   
        24   1   .   .   .   parsed_6b9k   1   
        25   1   .   .   .   parsed_6b9k   1   
        26   1   .   .   .   parsed_6b9k   1   
        27   1   .   .   .   parsed_6b9k   1   
        28   1   .   .   .   parsed_6b9k   1   
        29   1   .   .   .   parsed_6b9k   1   
        30   1   .   .   .   parsed_6b9k   1   
        31   1   .   .   .   parsed_6b9k   1   
        32   1   .   .   .   parsed_6b9k   1   
        33   1   .   .   .   parsed_6b9k   1   
        34   1   .   .   .   parsed_6b9k   1   
        35   1   .   .   .   parsed_6b9k   1   
        36   1   .   .   .   parsed_6b9k   1   
        37   1   .   .   .   parsed_6b9k   1   
        38   1   .   .   .   parsed_6b9k   1   
        39   1   .   .   .   parsed_6b9k   1   
        40   1   .   .   .   parsed_6b9k   1   
        41   1   .   .   .   parsed_6b9k   1   
        42   1   .   .   .   parsed_6b9k   1   
        43   1   .   .   .   parsed_6b9k   1   
        44   1   .   .   .   parsed_6b9k   1   
        45   1   .   .   .   parsed_6b9k   1   
        46   1   .   .   .   parsed_6b9k   1   
        47   1   .   .   .   parsed_6b9k   1   
        48   1   .   .   .   parsed_6b9k   1   
        49   1   .   .   .   parsed_6b9k   1   
        50   1   .   .   .   parsed_6b9k   1   
        51   1   .   .   .   parsed_6b9k   1   
        52   1   .   .   .   parsed_6b9k   1   
        53   1   .   .   .   parsed_6b9k   1   
        54   1   .   .   .   parsed_6b9k   1   
        55   1   .   .   .   parsed_6b9k   1   
        56   1   .   .   .   parsed_6b9k   1   
        57   1   .   .   .   parsed_6b9k   1   
        58   1   .   .   .   parsed_6b9k   1   
        59   1   .   .   .   parsed_6b9k   1   
        60   1   .   .   .   parsed_6b9k   1   
        61   1   .   .   .   parsed_6b9k   1   
        62   1   .   .   .   parsed_6b9k   1   
        63   1   .   .   .   parsed_6b9k   1   
        64   1   .   .   .   parsed_6b9k   1   
        65   1   .   .   .   parsed_6b9k   1   
        66   1   .   .   .   parsed_6b9k   1   
        67   1   .   .   .   parsed_6b9k   1   
        68   1   .   .   .   parsed_6b9k   1   
        69   1   .   .   .   parsed_6b9k   1   
        70   1   .   .   .   parsed_6b9k   1   
        71   1   .   .   .   parsed_6b9k   1   
        72   1   .   .   .   parsed_6b9k   1   
        73   1   .   .   .   parsed_6b9k   1   
        74   1   .   .   .   parsed_6b9k   1   
        75   1   .   .   .   parsed_6b9k   1   
        76   1   .   .   .   parsed_6b9k   1   
        77   1   .   .   .   parsed_6b9k   1   
        78   1   .   .   .   parsed_6b9k   1   
        79   1   .   .   .   parsed_6b9k   1   
        80   1   .   .   .   parsed_6b9k   1   
        81   1   .   .   .   parsed_6b9k   1   
        82   1   .   .   .   parsed_6b9k   1   
        83   1   .   .   .   parsed_6b9k   1   
        84   1   .   .   .   parsed_6b9k   1   
        85   1   .   .   .   parsed_6b9k   1   
        86   1   .   .   .   parsed_6b9k   1   
        87   1   .   .   .   parsed_6b9k   1   
        88   1   .   .   .   parsed_6b9k   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   .   .   .   .   .   .   .   .   .    3   PRO   HG3    parsed_6b9k   1   
         1   1   2   .   .   .   .   .   .   .   .   .    4   GLY   H      parsed_6b9k   1   
         2   1   1   .   .   .   .   .   .   .   .   .    4   GLY   H      parsed_6b9k   1   
         2   1   2   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
         3   1   1   .   .   .   .   .   .   .   .   .    3   PRO   HG2    parsed_6b9k   1   
         3   1   2   .   .   .   .   .   .   .   .   .    4   GLY   H      parsed_6b9k   1   
         4   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HA     parsed_6b9k   1   
         4   1   2   .   .   .   .   .   .   .   .   .    5   ARG   QG     parsed_6b9k   1   
         5   1   1   .   .   .   .   .   .   .   .   .    5   ARG   QG     parsed_6b9k   1   
         5   1   2   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
         6   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QD     parsed_6b9k   1   
         6   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
         7   1   1   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
         7   1   2   .   .   .   .   .   .   .   .   .    7   PHE   QD     parsed_6b9k   1   
         8   1   1   .   .   .   .   .   .   .   .   .    6   ALA   QB     parsed_6b9k   1   
         8   1   2   .   .   .   .   .   .   .   .   .    7   PHE   QD     parsed_6b9k   1   
         9   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QD     parsed_6b9k   1   
         9   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QD1    parsed_6b9k   1   
        10   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QD     parsed_6b9k   1   
        10   1   2   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        11   1   1   .   .   .   .   .   .   .   .   .   10   ILE   HA     parsed_6b9k   1   
        11   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        12   1   1   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        12   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        13   1   1   .   .   .   .   .   .   .   .   .    7   PHE   HA     parsed_6b9k   1   
        13   1   2   .   .   .   .   .   .   .   .   .    7   PHE   QD     parsed_6b9k   1   
        14   1   1   .   .   .   .   .   .   .   .   .    7   PHE   HA     parsed_6b9k   1   
        14   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        15   1   1   .   .   .   .   .   .   .   .   .   10   ILE   HA     parsed_6b9k   1   
        15   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QD1    parsed_6b9k   1   
        16   1   1   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        16   1   2   .   .   .   .   .   .   .   .   .    7   PHE   HB3    parsed_6b9k   1   
        17   1   1   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        17   1   2   .   .   .   .   .   .   .   .   .    7   PHE   HB2    parsed_6b9k   1   
        18   1   1   .   .   .   .   .   .   .   .   .    6   ALA   HA     parsed_6b9k   1   
        18   1   2   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        19   1   1   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        19   1   2   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        20   1   1   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        20   1   2   .   .   .   .   .   .   .   .   .    8   VAL   QQG    parsed_6b9k   1   
        21   1   1   .   .   .   .   .   .   .   .   .    1   ARG   HA     parsed_6b9k   1   
        21   1   2   .   .   .   .   .   .   .   .   .    1   ARG   QD     parsed_6b9k   1   
        22   1   1   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        22   1   2   .   .   .   .   .   .   .   .   .   10   ILE   HG13   parsed_6b9k   1   
        23   1   1   .   .   .   .   .   .   .   .   .    7   PHE   HB3    parsed_6b9k   1   
        23   1   2   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        24   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HA     parsed_6b9k   1   
        24   1   2   .   .   .   .   .   .   .   .   .    5   ARG   QD     parsed_6b9k   1   
        25   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HE     parsed_6b9k   1   
        25   1   2   .   .   .   .   .   .   .   .   .    6   ALA   QB     parsed_6b9k   1   
        26   1   1   .   .   .   .   .   .   .   .   .    6   ALA   QB     parsed_6b9k   1   
        26   1   2   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        27   1   1   .   .   .   .   .   .   .   .   .    6   ALA   QB     parsed_6b9k   1   
        27   1   2   .   .   .   .   .   .   .   .   .   10   ILE   HB     parsed_6b9k   1   
        28   1   1   .   .   .   .   .   .   .   .   .    6   ALA   QB     parsed_6b9k   1   
        28   1   2   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        29   1   1   .   .   .   .   .   .   .   .   .    8   VAL   HA     parsed_6b9k   1   
        29   1   2   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        30   1   1   .   .   .   .   .   .   .   .   .    9   THR   HA     parsed_6b9k   1   
        30   1   2   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        31   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HB2    parsed_6b9k   1   
        31   1   2   .   .   .   .   .   .   .   .   .    5   ARG   QD     parsed_6b9k   1   
        32   1   1   .   .   .   .   .   .   .   .   .    7   PHE   HB2    parsed_6b9k   1   
        32   1   2   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        33   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HB2    parsed_6b9k   1   
        33   1   2   .   .   .   .   .   .   .   .   .    5   ARG   HE     parsed_6b9k   1   
        34   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HA     parsed_6b9k   1   
        34   1   2   .   .   .   .   .   .   .   .   .    5   ARG   HE     parsed_6b9k   1   
        35   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QD     parsed_6b9k   1   
        35   1   2   .   .   .   .   .   .   .   .   .    7   PHE   HZ     parsed_6b9k   1   
        36   1   1   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        36   1   2   .   .   .   .   .   .   .   .   .    7   PHE   HZ     parsed_6b9k   1   
        37   1   1   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
        37   1   2   .   .   .   .   .   .   .   .   .    5   ARG   QG     parsed_6b9k   1   
        38   1   1   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
        38   1   2   .   .   .   .   .   .   .   .   .    5   ARG   HB2    parsed_6b9k   1   
        39   1   1   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
        39   1   2   .   .   .   .   .   .   .   .   .    5   ARG   QD     parsed_6b9k   1   
        40   1   1   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
        40   1   2   .   .   .   .   .   .   .   .   .    5   ARG   HE     parsed_6b9k   1   
        41   1   1   .   .   .   .   .   .   .   .   .    4   GLY   QA     parsed_6b9k   1   
        41   1   2   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
        42   1   1   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
        42   1   2   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        43   1   1   .   .   .   .   .   .   .   .   .    9   THR   HA     parsed_6b9k   1   
        43   1   2   .   .   .   .   .   .   .   .   .    9   THR   QG2    parsed_6b9k   1   
        44   1   1   .   .   .   .   .   .   .   .   .    9   THR   QG2    parsed_6b9k   1   
        44   1   2   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        45   1   1   .   .   .   .   .   .   .   .   .    9   THR   H      parsed_6b9k   1   
        45   1   2   .   .   .   .   .   .   .   .   .    9   THR   QG2    parsed_6b9k   1   
        46   1   1   .   .   .   .   .   .   .   .   .    8   VAL   QQG    parsed_6b9k   1   
        46   1   2   .   .   .   .   .   .   .   .   .    9   THR   H      parsed_6b9k   1   
        47   1   1   .   .   .   .   .   .   .   .   .    9   THR   H      parsed_6b9k   1   
        47   1   2   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        48   1   1   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        48   1   2   .   .   .   .   .   .   .   .   .    9   THR   H      parsed_6b9k   1   
        49   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HB3    parsed_6b9k   1   
        49   1   2   .   .   .   .   .   .   .   .   .    5   ARG   QD     parsed_6b9k   1   
        50   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HB3    parsed_6b9k   1   
        50   1   2   .   .   .   .   .   .   .   .   .    5   ARG   HE     parsed_6b9k   1   
        51   1   1   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
        51   1   2   .   .   .   .   .   .   .   .   .    5   ARG   HB3    parsed_6b9k   1   
        52   1   1   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        52   1   2   .   .   .   .   .   .   .   .   .   10   ILE   HG12   parsed_6b9k   1   
        53   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QE     parsed_6b9k   1   
        53   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        54   1   1   .   .   .   .   .   .   .   .   .    7   PHE   HA     parsed_6b9k   1   
        54   1   2   .   .   .   .   .   .   .   .   .    7   PHE   QE     parsed_6b9k   1   
        55   1   1   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        55   1   2   .   .   .   .   .   .   .   .   .    7   PHE   QE     parsed_6b9k   1   
        56   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QE     parsed_6b9k   1   
        56   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QD1    parsed_6b9k   1   
        57   1   1   .   .   .   .   .   .   .   .   .    7   PHE   HA     parsed_6b9k   1   
        57   1   2   .   .   .   .   .   .   .   .   .    8   VAL   HB     parsed_6b9k   1   
        58   1   1   .   .   .   .   .   .   .   .   .    8   VAL   HB     parsed_6b9k   1   
        58   1   2   .   .   .   .   .   .   .   .   .    9   THR   H      parsed_6b9k   1   
        59   1   1   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        59   1   2   .   .   .   .   .   .   .   .   .    8   VAL   HB     parsed_6b9k   1   
        60   1   1   .   .   .   .   .   .   .   .   .    9   THR   H      parsed_6b9k   1   
        60   1   2   .   .   .   .   .   .   .   .   .    9   THR   HB     parsed_6b9k   1   
        61   1   1   .   .   .   .   .   .   .   .   .    8   VAL   HA     parsed_6b9k   1   
        61   1   2   .   .   .   .   .   .   .   .   .    8   VAL   QQG    parsed_6b9k   1   
        62   1   1   .   .   .   .   .   .   .   .   .    3   PRO   HA     parsed_6b9k   1   
        62   1   2   .   .   .   .   .   .   .   .   .    4   GLY   QA     parsed_6b9k   1   
        63   1   1   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        63   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QD1    parsed_6b9k   1   
        64   1   1   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        64   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QD1    parsed_6b9k   1   
        65   1   1   .   .   .   .   .   .   .   .   .   10   ILE   H      parsed_6b9k   1   
        65   1   2   .   .   .   .   .   .   .   .   .   10   ILE   HB     parsed_6b9k   1   
        66   1   1   .   .   .   .   .   .   .   .   .    9   THR   QG2    parsed_6b9k   1   
        66   1   2   .   .   .   .   .   .   .   .   .   10   ILE   HB     parsed_6b9k   1   
        67   1   1   .   .   .   .   .   .   .   .   .   10   ILE   HB     parsed_6b9k   1   
        67   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QD1    parsed_6b9k   1   
        68   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HB2    parsed_6b9k   1   
        68   1   2   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        69   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HA     parsed_6b9k   1   
        69   1   2   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        70   1   1   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        70   1   2   .   .   .   .   .   .   .   .   .    6   ALA   QB     parsed_6b9k   1   
        71   1   1   .   .   .   .   .   .   .   .   .    5   ARG   HB3    parsed_6b9k   1   
        71   1   2   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        72   1   1   .   .   .   .   .   .   .   .   .    4   GLY   QA     parsed_6b9k   1   
        72   1   2   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        73   1   1   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        73   1   2   .   .   .   .   .   .   .   .   .    8   VAL   QQG    parsed_6b9k   1   
        74   1   1   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        74   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        75   1   1   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        75   1   2   .   .   .   .   .   .   .   .   .    8   VAL   QQG    parsed_6b9k   1   
        76   1   1   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        76   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        77   1   1   .   .   .   .   .   .   .   .   .    7   PHE   HA     parsed_6b9k   1   
        77   1   2   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        78   1   1   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        78   1   2   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        79   1   1   .   .   .   .   .   .   .   .   .    6   ALA   HA     parsed_6b9k   1   
        79   1   2   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        80   1   1   .   .   .   .   .   .   .   .   .    3   PRO   QG     parsed_6b9k   1   
        80   1   2   .   .   .   .   .   .   .   .   .    4   GLY   H      parsed_6b9k   1   
        81   1   1   .   .   .   .   .   .   .   .   .    3   PRO   QD     parsed_6b9k   1   
        81   1   2   .   .   .   .   .   .   .   .   .    4   GLY   H      parsed_6b9k   1   
        82   1   1   .   .   .   .   .   .   .   .   .    5   ARG   H      parsed_6b9k   1   
        82   1   2   .   .   .   .   .   .   .   .   .    5   ARG   QB     parsed_6b9k   1   
        83   1   1   .   .   .   .   .   .   .   .   .    5   ARG   QB     parsed_6b9k   1   
        83   1   2   .   .   .   .   .   .   .   .   .    6   ALA   H      parsed_6b9k   1   
        84   1   1   .   .   .   .   .   .   .   .   .    7   PHE   H      parsed_6b9k   1   
        84   1   2   .   .   .   .   .   .   .   .   .    7   PHE   QB     parsed_6b9k   1   
        85   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QB     parsed_6b9k   1   
        85   1   2   .   .   .   .   .   .   .   .   .    8   VAL   H      parsed_6b9k   1   
        86   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QB     parsed_6b9k   1   
        86   1   2   .   .   .   .   .   .   .   .   .    8   VAL   QQG    parsed_6b9k   1   
        87   1   1   .   .   .   .   .   .   .   .   .    7   PHE   QB     parsed_6b9k   1   
        87   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        88   1   1   .   .   .   .   .   .   .   .   .   10   ILE   QG2    parsed_6b9k   1   
        88   1   2   .   .   .   .   .   .   .   .   .   10   ILE   QG1    parsed_6b9k   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   .   .   .   .   .   .   .   4.69   parsed_6b9k   1   
         2   1   .   .   .   .   .   .   .   3.94   parsed_6b9k   1   
         3   1   .   .   .   .   .   .   .   4.69   parsed_6b9k   1   
         4   1   .   .   .   .   .   .   .   3.85   parsed_6b9k   1   
         5   1   .   .   .   .   .   .   .   4.16   parsed_6b9k   1   
         6   1   .   .   .   .   .   .   .   4.56   parsed_6b9k   1   
         7   1   .   .   .   .   .   .   .   4.03   parsed_6b9k   1   
         8   1   .   .   .   .   .   .   .   5.50   parsed_6b9k   1   
         9   1   .   .   .   .   .   .   .   5.23   parsed_6b9k   1   
        10   1   .   .   .   .   .   .   .   4.66   parsed_6b9k   1   
        11   1   .   .   .   .   .   .   .   3.60   parsed_6b9k   1   
        12   1   .   .   .   .   .   .   .   4.01   parsed_6b9k   1   
        13   1   .   .   .   .   .   .   .   3.14   parsed_6b9k   1   
        14   1   .   .   .   .   .   .   .   3.69   parsed_6b9k   1   
        15   1   .   .   .   .   .   .   .   4.51   parsed_6b9k   1   
        16   1   .   .   .   .   .   .   .   3.69   parsed_6b9k   1   
        17   1   .   .   .   .   .   .   .   3.69   parsed_6b9k   1   
        18   1   .   .   .   .   .   .   .   2.66   parsed_6b9k   1   
        19   1   .   .   .   .   .   .   .   3.66   parsed_6b9k   1   
        20   1   .   .   .   .   .   .   .   4.88   parsed_6b9k   1   
        21   1   .   .   .   .   .   .   .   5.09   parsed_6b9k   1   
        22   1   .   .   .   .   .   .   .   4.68   parsed_6b9k   1   
        23   1   .   .   .   .   .   .   .   4.56   parsed_6b9k   1   
        24   1   .   .   .   .   .   .   .   4.78   parsed_6b9k   1   
        25   1   .   .   .   .   .   .   .   4.51   parsed_6b9k   1   
        26   1   .   .   .   .   .   .   .   3.78   parsed_6b9k   1   
        27   1   .   .   .   .   .   .   .   4.74   parsed_6b9k   1   
        28   1   .   .   .   .   .   .   .   4.45   parsed_6b9k   1   
        29   1   .   .   .   .   .   .   .   4.01   parsed_6b9k   1   
        30   1   .   .   .   .   .   .   .   2.96   parsed_6b9k   1   
        31   1   .   .   .   .   .   .   .   3.86   parsed_6b9k   1   
        32   1   .   .   .   .   .   .   .   4.56   parsed_6b9k   1   
        33   1   .   .   .   .   .   .   .   5.50   parsed_6b9k   1   
        34   1   .   .   .   .   .   .   .   4.52   parsed_6b9k   1   
        35   1   .   .   .   .   .   .   .   3.82   parsed_6b9k   1   
        36   1   .   .   .   .   .   .   .   5.50   parsed_6b9k   1   
        37   1   .   .   .   .   .   .   .   3.92   parsed_6b9k   1   
        38   1   .   .   .   .   .   .   .   3.79   parsed_6b9k   1   
        39   1   .   .   .   .   .   .   .   5.17   parsed_6b9k   1   
        40   1   .   .   .   .   .   .   .   5.50   parsed_6b9k   1   
        41   1   .   .   .   .   .   .   .   2.98   parsed_6b9k   1   
        42   1   .   .   .   .   .   .   .   3.71   parsed_6b9k   1   
        43   1   .   .   .   .   .   .   .   3.27   parsed_6b9k   1   
        44   1   .   .   .   .   .   .   .   3.98   parsed_6b9k   1   
        45   1   .   .   .   .   .   .   .   3.92   parsed_6b9k   1   
        46   1   .   .   .   .   .   .   .   3.69   parsed_6b9k   1   
        47   1   .   .   .   .   .   .   .   3.95   parsed_6b9k   1   
        48   1   .   .   .   .   .   .   .   3.98   parsed_6b9k   1   
        49   1   .   .   .   .   .   .   .   3.86   parsed_6b9k   1   
        50   1   .   .   .   .   .   .   .   5.50   parsed_6b9k   1   
        51   1   .   .   .   .   .   .   .   3.79   parsed_6b9k   1   
        52   1   .   .   .   .   .   .   .   4.68   parsed_6b9k   1   
        53   1   .   .   .   .   .   .   .   4.65   parsed_6b9k   1   
        54   1   .   .   .   .   .   .   .   4.89   parsed_6b9k   1   
        55   1   .   .   .   .   .   .   .   5.50   parsed_6b9k   1   
        56   1   .   .   .   .   .   .   .   5.12   parsed_6b9k   1   
        57   1   .   .   .   .   .   .   .   5.22   parsed_6b9k   1   
        58   1   .   .   .   .   .   .   .   4.12   parsed_6b9k   1   
        59   1   .   .   .   .   .   .   .   3.30   parsed_6b9k   1   
        60   1   .   .   .   .   .   .   .   2.93   parsed_6b9k   1   
        61   1   .   .   .   .   .   .   .   3.19   parsed_6b9k   1   
        62   1   .   .   .   .   .   .   .   4.45   parsed_6b9k   1   
        63   1   .   .   .   .   .   .   .   2.40   parsed_6b9k   1   
        64   1   .   .   .   .   .   .   .   4.75   parsed_6b9k   1   
        65   1   .   .   .   .   .   .   .   3.87   parsed_6b9k   1   
        66   1   .   .   .   .   .   .   .   4.00   parsed_6b9k   1   
        67   1   .   .   .   .   .   .   .   3.73   parsed_6b9k   1   
        68   1   .   .   .   .   .   .   .   4.78   parsed_6b9k   1   
        69   1   .   .   .   .   .   .   .   2.63   parsed_6b9k   1   
        70   1   .   .   .   .   .   .   .   2.84   parsed_6b9k   1   
        71   1   .   .   .   .   .   .   .   4.78   parsed_6b9k   1   
        72   1   .   .   .   .   .   .   .   4.53   parsed_6b9k   1   
        73   1   .   .   .   .   .   .   .   5.50   parsed_6b9k   1   
        74   1   .   .   .   .   .   .   .   5.50   parsed_6b9k   1   
        75   1   .   .   .   .   .   .   .   3.37   parsed_6b9k   1   
        76   1   .   .   .   .   .   .   .   3.80   parsed_6b9k   1   
        77   1   .   .   .   .   .   .   .   2.84   parsed_6b9k   1   
        78   1   .   .   .   .   .   .   .   3.69   parsed_6b9k   1   
        79   1   .   .   .   .   .   .   .   4.31   parsed_6b9k   1   
        80   1   .   .   .   .   .   .   .   4.12   parsed_6b9k   1   
        81   1   .   .   .   .   .   .   .   4.40   parsed_6b9k   1   
        82   1   .   .   .   .   .   .   .   3.28   parsed_6b9k   1   
        83   1   .   .   .   .   .   .   .   4.08   parsed_6b9k   1   
        84   1   .   .   .   .   .   .   .   3.08   parsed_6b9k   1   
        85   1   .   .   .   .   .   .   .   4.00   parsed_6b9k   1   
        86   1   .   .   .   .   .   .   .   5.15   parsed_6b9k   1   
        87   1   .   .   .   .   .   .   .   5.34   parsed_6b9k   1   
        88   1   .   .   .   .   .   .   .   2.78   parsed_6b9k   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: final.upl"         1    1    1   30   parsed_6b9k   1   
         2   "peak    13 #SUP  1.00"                2   49    2   70   parsed_6b9k   1   
         3   "peak    15 #SUP  0.79  #QF  0.79"     3   49    3   81   parsed_6b9k   1   
         4   "peak    16 #SUP  1.00"                4   49    4   70   parsed_6b9k   1   
         5   "peak    20 #SUP  1.00"                5   49    5   70   parsed_6b9k   1   
         6   "peak    25 #SUP  1.00"                6   49    6   70   parsed_6b9k   1   
         7   "peak    27 #SUP  0.98  #QF  0.98"     7   49    7   81   parsed_6b9k   1   
         8   "peak    29 #SUP  1.00"                8   49    8   70   parsed_6b9k   1   
         9   "peak    31 #SUP  0.96  #QF  0.53"     9   49    9   81   parsed_6b9k   1   
        10   "peak    36 #SUP  1.00"               10   49   10   70   parsed_6b9k   1   
        11   "peak    37 #SUP  1.00"               11   49   11   70   parsed_6b9k   1   
        12   "peak    40 #SUP  1.00"               12   49   12   70   parsed_6b9k   1   
        13   "peak    42 #SUP  1.00"               13   49   13   70   parsed_6b9k   1   
        14   "peak    48 #SUP  0.97  #QF  0.97"    14   49   14   81   parsed_6b9k   1   
        15   "peak    56 #SUP  0.28  #QF  0.28"    15   49   15   81   parsed_6b9k   1   
        16   "peak    68 #SUP  1.00"               16   49   16   70   parsed_6b9k   1   
        17   "peak    82 #SUP  1.00"               17   49   17   70   parsed_6b9k   1   
        18   "peak    84 #SUP  1.00"               18   49   18   70   parsed_6b9k   1   
        19   "peak    87 #SUP  0.91  #QF  0.91"    19   49   19   81   parsed_6b9k   1   
        20   "peak    88 #SUP  1.00"               20   49   20   70   parsed_6b9k   1   
        21   "peak    89 #SUP  1.00"               21   49   21   70   parsed_6b9k   1   
        22   "peak   109 #SUP  1.00"               22   49   22   70   parsed_6b9k   1   
        23   "peak   115 #SUP  0.99  #QF  0.99"    23   49   23   81   parsed_6b9k   1   
        24   "peak   126 #SUP  1.00"               24   49   24   70   parsed_6b9k   1   
        25   "peak   144 #SUP  1.00"               25   49   25   70   parsed_6b9k   1   
        26   "peak   149 #SUP  0.35  #QF  0.35"    26   49   26   81   parsed_6b9k   1   
        27   "peak   150 #SUP  1.00"               27   49   27   70   parsed_6b9k   1   
        28   "peak   153 #SUP  0.99  #QF  0.99"    28   49   28   81   parsed_6b9k   1   
        29   "peak   155 #SUP  0.99  #QF  0.99"    29   49   29   81   parsed_6b9k   1   
        30   "peak   164 #SUP  0.69  #QF  0.69"    30   49   30   81   parsed_6b9k   1   
        31   "peak   168 #SUP  0.93  #QF  0.93"    31   49   31   81   parsed_6b9k   1   
        32   "peak   190 #SUP  1.00"               32   49   32   70   parsed_6b9k   1   
        33   "peak   204 #SUP  1.00"               33   49   33   70   parsed_6b9k   1   
        34   "peak   206 #SUP  1.00"               34   49   34   70   parsed_6b9k   1   
        35   "peak   207 #SUP  0.92  #QF  0.92"    35   49   35   81   parsed_6b9k   1   
        36   "peak   212 #SUP  1.00"               36   49   36   70   parsed_6b9k   1   
        37   "peak   214 #SUP  1.00"               37   49   37   70   parsed_6b9k   1   
        38   "peak   221 #SUP  0.90  #QF  0.90"    38   49   38   81   parsed_6b9k   1   
        39   "peak   222 #SUP  1.00"               39   49   39   70   parsed_6b9k   1   
        40   "peak   224 #SUP  1.00"               40   49   40   70   parsed_6b9k   1   
        41   "peak   225 #SUP  1.00"               41   49   41   70   parsed_6b9k   1   
        42   "peak   228 #SUP  1.00"               42   49   42   70   parsed_6b9k   1   
        43   "peak   229 #SUP  0.95  #QF  0.95"    43   49   43   81   parsed_6b9k   1   
        44   "peak   231 #SUP  1.00"               44   49   44   70   parsed_6b9k   1   
        45   "peak   232 #SUP  1.00"               45   49   45   70   parsed_6b9k   1   
        46   "peak   234 #SUP  1.00"               46   49   46   70   parsed_6b9k   1   
        47   "peak   237 #SUP  0.44  #QF  0.44"    47   49   47   81   parsed_6b9k   1   
        48   "peak   239 #SUP  1.00"               48   49   48   70   parsed_6b9k   1   
        49   "peak   244 #SUP  0.97  #QF  0.97"    49   49   49   81   parsed_6b9k   1   
        50   "peak   255 #SUP  1.00"               50   49   50   70   parsed_6b9k   1   
        51   "peak   256 #SUP  1.00"               51   49   51   70   parsed_6b9k   1   
        52   "peak   257 #SUP  0.99  #QF  0.99"    52   49   52   81   parsed_6b9k   1   
        53   "peak   263 #SUP  1.00"               53   49   53   70   parsed_6b9k   1   
        54   "peak   268 #SUP  0.99  #QF  0.99"    54   49   54   81   parsed_6b9k   1   
        55   "peak   269 #SUP  1.00"               55   49   55   70   parsed_6b9k   1   
        56   "peak   270 #SUP  1.00"               56   49   56   70   parsed_6b9k   1   
        57   "peak   276 #SUP  1.00"               57   49   57   70   parsed_6b9k   1   
        58   "peak   282 #SUP  1.00"               58   49   58   70   parsed_6b9k   1   
        59   "peak   283 #SUP  0.99  #QF  0.99"    59   49   59   81   parsed_6b9k   1   
        60   "peak   287 #SUP  0.91  #QF  0.91"    60   49   60   81   parsed_6b9k   1   
        61   "peak   288 #SUP  0.74  #QF  0.74"    61   49   61   81   parsed_6b9k   1   
        62   "peak   291 #SUP  1.00"               62   49   62   70   parsed_6b9k   1   
        63   "peak   303 #SUP  1.00"               63   49   63   70   parsed_6b9k   1   
        64   "peak   308 #SUP  1.00"               64   49   64   70   parsed_6b9k   1   
        65   "peak   311 #SUP  1.00"               65   49   65   70   parsed_6b9k   1   
        66   "peak   320 #SUP  1.00"               66   49   66   70   parsed_6b9k   1   
        67   "peak   321 #SUP  0.71  #QF  0.71"    67   49   67   81   parsed_6b9k   1   
        68   "peak   323 #SUP  1.00"               68   49   68   70   parsed_6b9k   1   
        69   "peak   332 #SUP  1.00"               69   49   69   70   parsed_6b9k   1   
        70   "peak   333 #SUP  0.92  #QF  0.92"    70   49   70   81   parsed_6b9k   1   
        71   "peak   334 #SUP  0.98  #QF  0.98"    71   49   71   81   parsed_6b9k   1   
        72   "peak   336 #SUP  1.00"               72   49   72   70   parsed_6b9k   1   
        73   "peak   338 #SUP  0.94  #QF  0.94"    73   49   73   81   parsed_6b9k   1   
        74   "peak   340 #SUP  1.00  #QF  0.99"    74   49   74   81   parsed_6b9k   1   
        75   "peak   340 #SUP  1.00  #QF  0.99"    75   49   75   81   parsed_6b9k   1   
        76   "peak   348 #SUP  1.00"               76   49   76   70   parsed_6b9k   1   
        77   "peak   348 #SUP  1.00"               77   49   77   70   parsed_6b9k   1   
        78   "peak   350 #SUP  0.94  #QF  0.94"    78   49   78   81   parsed_6b9k   1   
        79   "peak   351 #SUP  1.00"               79   49   79   70   parsed_6b9k   1   
        80   "peak   356 #SUP  0.99  #QF  0.99"    80   49   80   81   parsed_6b9k   1   
        81   "peak    16"                          81   49   81   59   parsed_6b9k   1   
        82   "peak    12"                          82   49   82   59   parsed_6b9k   1   
        83   "peak   257"                          83   49   83   59   parsed_6b9k   1   
        84   "peak   332"                          84   49   84   59   parsed_6b9k   1   
        85   "peak    84"                          85   49   85   59   parsed_6b9k   1   
        86   "peak   126"                          86   49   86   59   parsed_6b9k   1   
        87   "peak   203"                          87   49   87   59   parsed_6b9k   1   
        88   "peak   203"                          88   49   88   59   parsed_6b9k   1   
        89   "peak   112"                          89   49   89   59   parsed_6b9k   1   
    stop_

save_





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Contact the webmaster for help, if required. Monday, April 29, 2024 1:32:34 PM GMT (wattos1)