data_6qbk_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6qbk 
    _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_6qbk   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6qbk 
    _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   6qbk   "Master copy"    parsed_6qbk   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6qbk 
    _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   6qbk.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_6qbk   1   
        1   6qbk.mr   .   .    XPLOR/CNS     2    distance                 "hydrogen bond"        simple             26   parsed_6qbk   1   
        1   6qbk.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     simple              0   parsed_6qbk   1   
        1   6qbk.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"      "Not applicable"     0   parsed_6qbk   1   
        1   6qbk.mr   .   .    XPLOR/CNS     5    distance                  NOE                   ambi                0   parsed_6qbk   1   
        1   6qbk.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_6qbk   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_6qbk 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

        1   "# Restraints file 2: disu.tbl"                                                                              1   1   1    29   parsed_6qbk   1   
        2   'assign (segid "   A" and resid 14 and name SG) (segid "   A" and not resid 14 and name SG) 2.02 0.1 0.1'    2   1   2   103   parsed_6qbk   1   
        3   'assign (segid "   A" and resid 21 and name SG) (segid "   A" and not resid 21 and name SG) 2.02 0.1 0.1'    3   1   3   103   parsed_6qbk   1   
        4   'assign (segid "   A" and resid 25 and name SG) (segid "   A" and not resid 25 and name SG) 2.02 0.1 0.1'    4   1   4   103   parsed_6qbk   1   
        5   'assign (segid "   A" and resid 39 and name SG) (segid "   A" and not resid 39 and name SG) 2.02 0.1 0.1'    5   1   5   103   parsed_6qbk   1   
        6   'assign (segid "   A" and resid 44 and name SG) (segid "   A" and not resid 44 and name SG) 2.02 0.1 0.1'    6   1   6   103   parsed_6qbk   1   
        7   'assign (segid "   A" and resid 45 and name SG) (segid "   A" and not resid 45 and name SG) 2.02 0.1 0.1'    7   1   7   103   parsed_6qbk   1   
    stop_

save_



