data_2jy7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2jy7 
    _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_2jy7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2jy7 
    _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   2jy7   "Master copy"    parsed_2jy7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2jy7 
    _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   2jy7.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_2jy7   1   
        1   2jy7.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple              89   parsed_2jy7   1   
        1   2jy7.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple             274   parsed_2jy7   1   
        1   2jy7.mr   .   .    XPLOR/CNS      4    distance                  NOE                 simple             310   parsed_2jy7   1   
        1   2jy7.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple             164   parsed_2jy7   1   
        1   2jy7.mr   .   .    XPLOR/CNS      6    distance                  NOE                 simple             153   parsed_2jy7   1   
        1   2jy7.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple             122   parsed_2jy7   1   
        1   2jy7.mr   .   .    XPLOR/CNS      8   "dipolar coupling"        "Not applicable"    "Not applicable"      0   parsed_2jy7   1   
        1   2jy7.mr   .   .    XPLOR/CNS      9   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2jy7   1   
        1   2jy7.mr   .   .   "MR format"    10   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2jy7   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_8
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2jy7 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            8 
    _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   5  and name N   )
       ( resid   5  and name HN  )   1.138   1.000
;
     1   1     2   50   parsed_2jy7   1   
         2   
;
assign ( resid   6  and name N   )
       ( resid   6  and name HN  )   3.355  1.000
;
     4   1     5   49   parsed_2jy7   1   
         3   
;
assign ( resid   9  and name N   )
       ( resid   9  and name HN  )   0.331   1.000
;
     7   1     8   50   parsed_2jy7   1   
         4   
;
assign ( resid  10  and name N   )
       ( resid  10  and name HN  )  -4.130   1.000
;
    10   1    11   50   parsed_2jy7   1   
         5   
;
assign ( resid  11  and name N   )
       ( resid  11  and name HN  )   12.215   1.000
;
    13   1    14   51   parsed_2jy7   1   
         6   
;
assign ( resid  12  and name N   )
       ( resid  12  and name HN  )   2.549   1.000
;
    16   1    17   50   parsed_2jy7   1   
         7   
;
assign ( resid  13  and name N   )
       ( resid  13  and name HN  )  -0.196   1.000
;
    19   1    20   50   parsed_2jy7   1   
         8   
;
assign ( resid  14  and name N   )
       ( resid  14  and name HN  )  -3.287   1.000
;
    22   1    23   50   parsed_2jy7   1   
         9   
;
assign ( resid  15  and name N   )
       ( resid  15  and name HN  )  -1.091   1.000
;
    25   1    26   50   parsed_2jy7   1   
        10   
;
assign ( resid  16  and name N   )
       ( resid  16  and name HN  )   3.197   1.000
;
    28   1    29   50   parsed_2jy7   1   
        11   
;
assign ( resid  17  and name N   )
       ( resid  17  and name HN  )  -1.787   1.000
;
    31   1    32   50   parsed_2jy7   1   
        12   
;
assign ( resid  18  and name N   )
       ( resid  18  and name HN  )  -3.592   1.000
;
    34   1    35   50   parsed_2jy7   1   
        13   
;
assign ( resid  19  and name N   )
       ( resid  19  and name HN  )   2.447   1.000
;
    37   1    38   50   parsed_2jy7   1   
        14   
;
assign ( resid  20  and name N   )
       ( resid  20  and name HN  )  -0.428   1.000
;
    40   1    41   50   parsed_2jy7   1   
        15   
;
assign ( resid  21  and name N   )
       ( resid  21  and name HN  )  -5.785   1.000
;
    43   1    44   50   parsed_2jy7   1   
        16   
;
assign ( resid  22  and name N   )
       ( resid  22  and name HN  )  -4.397   1.000
;
    46   1    47   50   parsed_2jy7   1   
        17   
;
assign ( resid  23  and name N   )
       ( resid  23  and name HN  )  -3.890   1.000
;
    49   1    50   50   parsed_2jy7   1   
        18   
;
assign ( resid  24  and name N   )
       ( resid  24  and name HN  )   4.434   1.000
;
    52   1    53   50   parsed_2jy7   1   
        19   
;
assign ( resid  25  and name N   )
       ( resid  25  and name HN  )  -3.253   1.000
;
    55   1    56   50   parsed_2jy7   1   
        20   
;
assign ( resid  26  and name N   )
       ( resid  26  and name HN  )   4.876   1.000
;
    58   1    59   50   parsed_2jy7   1   
        21   
;
assign ( resid  27  and name N   )
       ( resid  27  and name HN  )   3.361   1.000
;
    61   1    62   50   parsed_2jy7   1   
        22   
;
assign ( resid  28  and name N   )
       ( resid  28  and name HN  )   9.530   1.000
;
    64   1    65   50   parsed_2jy7   1   
        23   
;
assign ( resid  29  and name N   )
       ( resid  29  and name HN  )   11.338   1.000
;
    67   1    68   51   parsed_2jy7   1   
        24   
;
assign ( resid  30  and name N   )
       ( resid  30  and name HN  )   9.155   1.000
;
    70   1    71   50   parsed_2jy7   1   
        25   
;
assign ( resid  31  and name N   )
       ( resid  31  and name HN  )   6.613   1.000
;
    73   1    74   50   parsed_2jy7   1   
        26   
;
assign ( resid  33  and name N   )
       ( resid  33  and name HN  )   11.368   1.000
;
    76   1    77   51   parsed_2jy7   1   
        27   
;
assign ( resid  34  and name N   )
       ( resid  34  and name HN  )   6.424   1.000
;
    79   1    80   50   parsed_2jy7   1   
        28   
;
assign ( resid  35  and name N   )
       ( resid  35  and name HN  )   7.410   1.000
;
    82   1    83   50   parsed_2jy7   1   
        29   
;
assign ( resid  36  and name N   )
       ( resid  36  and name HN  )  -2.102   1.000
;
    85   1    86   50   parsed_2jy7   1   
        30   
;
assign ( resid  37  and name N   )
       ( resid  37  and name HN  )  -3.540   1.000
;
    88   1    89   50   parsed_2jy7   1   
        31   
;
assign ( resid  38  and name N   )
       ( resid  38  and name HN  )  -5.408   1.000
;
    91   1    92   50   parsed_2jy7   1   
        32   
;
assign ( resid  39  and name N   )
       ( resid  39  and name HN  )  -1.915   1.000
;
    94   1    95   50   parsed_2jy7   1   
        33   
;
assign ( resid  40  and name N   )
       ( resid  40  and name HN  )  -8.102   1.000
;
    97   1    98   50   parsed_2jy7   1   
        34   
;
assign ( resid  41  and name N   )
       ( resid  41  and name HN  )  -4.678   1.000
;
   100   1   101   50   parsed_2jy7   1   
        35   
;
assign ( resid  42  and name N   )
       ( resid  42  and name HN  )  -5.978   1.000
;
   103   1   104   50   parsed_2jy7   1   
        36   
;
assign ( resid  43  and name N   )
       ( resid  43  and name HN  )  -8.035   1.000
;
   106   1   107   50   parsed_2jy7   1   
        37   
;
assign ( resid  44  and name N   )
       ( resid  44  and name HN  )  -7.105   1.000
;
   109   1   110   50   parsed_2jy7   1   
        38   
;
assign ( resid  45  and name N   )
       ( resid  45  and name HN  )  -5.284   1.000
;
   112   1   113   50   parsed_2jy7   1   
        39   
;
assign ( resid  46  and name N   )
       ( resid  46  and name HN  )  -6.884   1.000
;
   115   1   116   50   parsed_2jy7   1   
        40   
;
assign ( resid  47  and name N   )
       ( resid  47  and name HN  )  -8.259  1.000
;
   118   1   119   49   parsed_2jy7   1   
        41   
;
assign ( resid  48  and name N   )
       ( resid  48  and name HN  )   4.758   1.000
;
   121   1   122   50   parsed_2jy7   1   
        42   
;
assign ( resid  49  and name N   )
       ( resid  49  and name HN  )  -1.440   1.000
;
   124   1   125   50   parsed_2jy7   1   
        43   
;
assign ( resid  50  and name N   )
       ( resid  50  and name HN  )   4.252   1.000
;
   127   1   128   50   parsed_2jy7   1   
        44   
;
assign ( resid  51  and name N   )
       ( resid  51  and name HN  )   3.299   1.000
;
   130   1   131   50   parsed_2jy7   1   
        45   
;
assign ( resid  52  and name N   )
       ( resid  52  and name HN  )   0.849   1.000
;
   133   1   134   50   parsed_2jy7   1   
    stop_

save_



