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 subsubtype
565683 2lxw 18700 cing 2-parsed STAR distance general distance simple 

data_2lxw_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lxw 
    _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_2lxw   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lxw 
    _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   2lxw   "Master copy"    parsed_2lxw   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lxw 
    _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   2lxw.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2lxw   1   
        1   2lxw.mr   .   .    DYANA/DIANA   2    distance                  NOE                   simple             487   parsed_2lxw   1   
        1   2lxw.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple               0   parsed_2lxw   1   
        1   2lxw.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"        simple               0   parsed_2lxw   1   
        1   2lxw.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2lxw   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2lxw 
    _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   "21 CYSZ  ZN      24 CYS- SG       2.50  5E01"    1   2    1   46   parsed_2lxw   1   
        2   "21 CYSZ  ZN      36 HIS  NE2      2.50  5E01"    2   2    2   46   parsed_2lxw   1   
        3   "21 CYSZ  ZN      40 CYS- SG       2.50  5E01"    3   2    3   46   parsed_2lxw   1   
        4   "21 CYSZ  SG      24 CYS- SG       4.00  5E01"    4   2    4   46   parsed_2lxw   1   
        5   "21 CYSZ  SG      36 HIS  NE2      4.00  5E01"    5   2    5   46   parsed_2lxw   1   
        6   "21 CYSZ  SG      40 CYS- SG       4.00  5E01"    6   2    6   46   parsed_2lxw   1   
        7   "24 CYS-  SG      36 HIS  NE2      4.00  5E01"    7   2    7   46   parsed_2lxw   1   
        8   "24 CYS-  SG      40 CYS- SG       4.00  5E01"    8   2    8   46   parsed_2lxw   1   
        9   
;
36 HIS   NE2     40 CYS- SG       4.00  5E01

;
   9   2   10   45   parsed_2lxw   1   
    stop_

save_

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