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
513394 2kzy 17023 cing 2-parsed STAR dipolar coupling


data_2kzy_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kzy 
    _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_2kzy   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kzy 
    _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   2kzy   "Master copy"    parsed_2kzy   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kzy 
    _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   2kzy.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2kzy   1   
        1   2kzy.mr   .   .    XPLOR/CNS     2   "dipolar coupling"        "Not applicable"    "Not applicable"    0   parsed_2kzy   1   
        1   2kzy.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple             0   parsed_2kzy   1   
        1   2kzy.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_2kzy   1   
        1   2kzy.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2kzy   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_2
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2kzy 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            2 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint_parse_err.ID 
        _RDC_constraint_parse_err.Content 
        _RDC_constraint_parse_err.Begin_line 
        _RDC_constraint_parse_err.Begin_column 
        _RDC_constraint_parse_err.End_line 
        _RDC_constraint_parse_err.End_column 
        _RDC_constraint_parse_err.Entry_ID 
        _RDC_constraint_parse_err.RDC_constraint_list_ID 

         1   
;
assign       
 (resid 14 and name N ) 
 (resid 14 and name NH ) -10.1954892 1
;
     7   1     9   38   parsed_2kzy   1   
         2   
;
assign       
 (resid 15 and name N ) 
 (resid 15 and name NH ) -4.63934276 1
;
    12   1    14   38   parsed_2kzy   1   
         3   
;
assign       
 (resid 16 and name N ) 
 (resid 16 and name NH ) -15.6124128 1
;
    17   1    19   38   parsed_2kzy   1   
         4   
;
assign       
 (resid 17 and name N ) 
 (resid 17 and name NH ) -14.09737648 1
;
    22   1    24   39   parsed_2kzy   1   
         5   
;
assign       
 (resid 18 and name N ) 
 (resid 18 and name NH ) -28.99786812 1
;
    27   1    29   39   parsed_2kzy   1   
         6   
;
assign       
 (resid 19 and name N ) 
 (resid 19 and name NH ) 2.43062408 1
;
    32   1    34   37   parsed_2kzy   1   
         7   
;
assign       
 (resid 20 and name N ) 
 (resid 20 and name NH ) -5.38713356 1
;
    37   1    39   38   parsed_2kzy   1   
         8   
;
assign       
 (resid 21 and name N ) 
 (resid 21 and name NH ) -12.6486078 1
;
    42   1    44   38   parsed_2kzy   1   
         9   
;
assign       
 (resid 22 and name N ) 
 (resid 22 and name NH ) 15.5728954 1
;
    47   1    49   37   parsed_2kzy   1   
        10   
;
assign       
 (resid 23 and name N ) 
 (resid 23 and name NH ) -22.66961248 1
;
    51   1    53   39   parsed_2kzy   1   
        11   
;
assign       
 (resid 24 and name N ) 
 (resid 24 and name NH ) 17.29281424 1
;
    56   1    58   38   parsed_2kzy   1   
        12   
;
assign       
 (resid 25 and name N ) 
 (resid 25 and name NH ) 31.07709132 1
;
    61   1    63   38   parsed_2kzy   1   
        13   
;
assign       
 (resid 27 and name N ) 
 (resid 27 and name NH ) -6.39999492 1
;
    67   1    69   38   parsed_2kzy   1   
        14   
;
assign       
 (resid 28 and name N ) 
 (resid 28 and name NH ) 18.93248236 1
;
    72   1    74   38   parsed_2kzy   1   
        15   
;
assign       
 (resid 29 and name N ) 
 (resid 29 and name NH ) -4.49343236 1
;
    77   1    79   38   parsed_2kzy   1   
        16   
;
assign       
 (resid 30 and name N ) 
 (resid 30 and name NH ) -22.34009816 1
;
    82   1    84   39   parsed_2kzy   1   
        17   
;
assign       
 (resid 31 and name N ) 
 (resid 31 and name NH ) -4.17607724 1
;
    89   1    91   38   parsed_2kzy   1   
        18   
;
assign       
 (resid 32 and name N ) 
 (resid 32 and name NH ) -16.74808208 1
;
    95   1    97   39   parsed_2kzy   1   
        19   
;
assign       
 (resid 33 and name N ) 
 (resid 33 and name NH ) 15.08591944 1
;
   101   1   103   38   parsed_2kzy   1   
        20   
;
assign       
 (resid 34 and name N ) 
 (resid 34 and name NH ) 26.68579624 1
;
   107   1   109   38   parsed_2kzy   1   
        21   
;
assign       
 (resid 35 and name N ) 
 (resid 35 and name NH ) 31.6108802 1
;
   113   1   115   37   parsed_2kzy   1   
        22   
;
assign       
 (resid 36 and name N ) 
 (resid 36 and name NH ) 11.29528884 1
;
   119   1   121   38   parsed_2kzy   1   
        23   
;
assign       
 (resid 37 and name N ) 
 (resid 37 and name NH ) 7.13258672 1
;
   125   1   127   37   parsed_2kzy   1   
        24   
;
assign       
 (resid 38 and name N ) 
 (resid 38 and name NH ) 23.26845308 1
;
   131   1   133   38   parsed_2kzy   1   
        25   
;
assign       
 (resid 39 and name N ) 
 (resid 39 and name NH ) 21.9899132 1
;
   137   1   139   37   parsed_2kzy   1   
        26   
;
assign       
 (resid 40 and name N ) 
 (resid 40 and name NH ) 4.22289016 1
;
   143   1   145   37   parsed_2kzy   1   
        27   
;
assign       
 (resid 41 and name N ) 
 (resid 41 and name NH ) 12.76168836 1
;
   149   1   151   38   parsed_2kzy   1   
        28   
;
assign       
 (resid 42 and name N ) 
 (resid 42 and name NH ) 29.2033586 1
;
   155   1   157   37   parsed_2kzy   1   
        29   
;
assign       
 (resid 43 and name N ) 
 (resid 43 and name NH ) 3.68302168 1
;
   161   1   163   37   parsed_2kzy   1   
        30   
;
assign       
 (resid 44 and name N ) 
 (resid 44 and name NH ) -0.73319976 1
;
   167   1   169   38   parsed_2kzy   1   
        31   
;
assign       
 (resid 45 and name N ) 
 (resid 45 and name NH ) 12.04794332 1
;
   173   1   175   38   parsed_2kzy   1   
    stop_

save_





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