NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
29012 1aff cing 2-parsed STAR distance hydrogen bond simple


data_1aff_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1aff 
    _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_1aff   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1aff 
    _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   1aff   "Master copy"    parsed_1aff   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1aff 
    _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   1aff.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1aff   1   
        1   1aff.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             290   parsed_1aff   1   
        1   1aff.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple               0   parsed_1aff   1   
        1   1aff.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1aff   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1aff 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _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   
;
assi (resid   4 and name  N7  and segi DNA2)
     (resid   3 and name  H21 and segi DNA1)  
;
    3   1    4   46   parsed_1aff   1   
         2   
;
assi (resid   4 and name  N7  and segi DNA2)
     (resid   3 and name  N2  and segi DNA1)  
;
    5   1    6   46   parsed_1aff   1   
         3   
;
assi (resid   4 and name  O6  and segi DNA2)
     (resid   3 and name  H1  and segi DNA1)  
;
    7   1    8   46   parsed_1aff   1   
         4   
;
assi (resid   4 and name  O6  and segi DNA2)
     (resid   3 and name  N1  and segi DNA1)  

;
    9   1   11   46   parsed_1aff   1   
         5   
;
assi (resid   8 and name  N7  and segi DNA2)
     (resid   4 and name  H21 and segi DNA2)  
;
   12   1   13   46   parsed_1aff   1   
         6   
;
assi (resid   8 and name  N7  and segi DNA2)
     (resid   4 and name  N2  and segi DNA2)  
;
   14   1   15   46   parsed_1aff   1   
         7   
;
assi (resid   8 and name  O6  and segi DNA2)
     (resid   4 and name  H1  and segi DNA2)  
;
   16   1   17   46   parsed_1aff   1   
         8   
;
assi (resid   8 and name  O6  and segi DNA2)
     (resid   4 and name  N1  and segi DNA2)  

;
   18   1   20   46   parsed_1aff   1   
         9   
;
assi (resid   7 and name  N7  and segi DNA1)
     (resid   8 and name  H21 and segi DNA2)  
;
   21   1   22   46   parsed_1aff   1   
        10   
;
assi (resid   7 and name  N7  and segi DNA1)
     (resid   8 and name  N2  and segi DNA2)  
;
   23   1   24   46   parsed_1aff   1   
        11   
;
assi (resid   7 and name  O6  and segi DNA1)
     (resid   8 and name  H1  and segi DNA2)  
;
   25   1   26   46   parsed_1aff   1   
        12   
;
assi (resid   7 and name  O6  and segi DNA1)
     (resid   8 and name  N1  and segi DNA2)  

;
   27   1   29   46   parsed_1aff   1   
        13   
;
assi (resid   3 and name  N7  and segi DNA1)
     (resid   7 and name  H21 and segi DNA1)  
;
   30   1   31   46   parsed_1aff   1   
        14   
;
assi (resid   3 and name  N7  and segi DNA1)
     (resid   7 and name  N2  and segi DNA1)  
;
   32   1   33   46   parsed_1aff   1   
        15   
;
assi (resid   3 and name  O6  and segi DNA1)
     (resid   7 and name  H1  and segi DNA1)  
;
   34   1   35   46   parsed_1aff   1   
        16   
;
assi (resid   3 and name  O6  and segi DNA1)
     (resid   7 and name  N1  and segi DNA1)  

;
   36   1   38   46   parsed_1aff   1   
        17   
;
assi (resid   4 and name  N7  and segi DNA1)
     (resid   3 and name  H21 and segi DNA2)  
;
   39   1   40   46   parsed_1aff   1   
        18   
;
assi (resid   4 and name  N7  and segi DNA1)
     (resid   3 and name  N2  and segi DNA2)  
;
   41   1   42   46   parsed_1aff   1   
        19   
;
assi (resid   4 and name  O6  and segi DNA1)
     (resid   3 and name  H1  and segi DNA2)  
;
   43   1   44   46   parsed_1aff   1   
        20   
;
assi (resid   4 and name  O6  and segi DNA1)
     (resid   3 and name  N1  and segi DNA2)  

;
   45   1   47   46   parsed_1aff   1   
        21   
;
assi (resid   8 and name  N7  and segi DNA1)
     (resid   4 and name  H21 and segi DNA1)  
;
   48   1   49   46   parsed_1aff   1   
        22   
;
assi (resid   8 and name  N7  and segi DNA1)
     (resid   4 and name  N2  and segi DNA1)  
;
   50   1   51   46   parsed_1aff   1   
        23   
;
assi (resid   8 and name  O6  and segi DNA1)
     (resid   4 and name  H1  and segi DNA1)  
;
   52   1   53   46   parsed_1aff   1   
        24   
;
assi (resid   8 and name  O6  and segi DNA1)
     (resid   4 and name  N1  and segi DNA1)  

;
   54   1   56   46   parsed_1aff   1   
        25   
;
assi (resid   7 and name  N7  and segi DNA2)
     (resid   8 and name  H21 and segi DNA1)  
;
   57   1   58   46   parsed_1aff   1   
        26   
;
assi (resid   7 and name  N7  and segi DNA2)
     (resid   8 and name  N2  and segi DNA1)  
;
   59   1   60   46   parsed_1aff   1   
        27   
;
assi (resid   7 and name  O6  and segi DNA2)
     (resid   8 and name  H1  and segi DNA1)  
;
   61   1   62   46   parsed_1aff   1   
        28   
;
assi (resid   7 and name  O6  and segi DNA2)
     (resid   8 and name  N1  and segi DNA1)  

;
   63   1   65   46   parsed_1aff   1   
        29   
;
assi (resid   3 and name  N7  and segi DNA2)
     (resid   7 and name  H21 and segi DNA2)  
;
   66   1   67   46   parsed_1aff   1   
        30   
;
assi (resid   3 and name  N7  and segi DNA2)
     (resid   7 and name  N2  and segi DNA2)  
;
   68   1   69   46   parsed_1aff   1   
        31   
;
assi (resid   3 and name  O6  and segi DNA2)
     (resid   7 and name  H1  and segi DNA2)  
;
   70   1   71   46   parsed_1aff   1   
        32   
;
assi (resid   3 and name  O6  and segi DNA2)
     (resid   7 and name  N1  and segi DNA2)  

;
   72   1   74   46   parsed_1aff   1   
        33   
;
assi (resid   5 and name  O4  and segi DNA1)
     (resid   2 and name  H61 and segi DNA1)  
;
   75   1   76   46   parsed_1aff   1   
        34   
;
assi (resid   5 and name  O4  and segi DNA1)
     (resid   2 and name  N6  and segi DNA1)  

;
   77   1   79   46   parsed_1aff   1   
        35   
;
assi (resid   2 and name  N1  and segi DNA1)
     (resid   5 and name  H3  and segi DNA1)  
;
   80   1   81   46   parsed_1aff   1   
        36   
;
assi (resid   2 and name  N1  and segi DNA1)
     (resid   5 and name  N3  and segi DNA1)  

;
   82   1   84   46   parsed_1aff   1   
        37   
;
assi (resid   5 and name  O4  and segi DNA2)
     (resid   2 and name  H61 and segi DNA2)  
;
   85   1   86   46   parsed_1aff   1   
        38   
;
assi (resid   5 and name  O4  and segi DNA2)
     (resid   2 and name  N6  and segi DNA2)  

;
   87   1   89   46   parsed_1aff   1   
        39   
;
assi (resid   2 and name  N1  and segi DNA2)
     (resid   5 and name  H3  and segi DNA2)  
;
   90   1   91   46   parsed_1aff   1   
    stop_

save_





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