NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type
516886 2k39 cing 2-parsed STAR dipolar coupling


data_2k39_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2k39 
    _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_2k39   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2k39 
    _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   2k39   "Master copy"    parsed_2k39   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2k39 
    _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   2k39.mr   .   .   "MR format"     1    comment              "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS      2   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS      3   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS      4   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS      5   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS      6   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS      7   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS      8   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS      9   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     10   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     11   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     12   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     13   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     14   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     15   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     16   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     17   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     18   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     19   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     20   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     21   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     22   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     23   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     24   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     25   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     26   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     27   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     28   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     29   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     30   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     31   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     32   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     33   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     34   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     35   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     36   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    XPLOR/CNS     37   "dipolar coupling"    "Not applicable"    "Not applicable"    0   parsed_2k39   1   
        1   2k39.mr   .   .    unknown       38    unknown              "Not applicable"    "Not applicable"    0   parsed_2k39   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_14
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2k39 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            14 
    _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 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   2 and name N and not segid REF )
       ( resid   2 and name H and not segid REF )   -17.6000 0.3000
;
     3   1     8   67   parsed_2k39   1   
         2   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   3 and name N and not segid REF )
       ( resid   3 and name H and not segid REF )   12.5500 0.3000
;
    10   1    15   66   parsed_2k39   1   
         3   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   4 and name N and not segid REF )
       ( resid   4 and name H and not segid REF )   10.3500 0.3000
;
    17   1    22   66   parsed_2k39   1   
         4   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   5 and name N and not segid REF )
       ( resid   5 and name H and not segid REF )   7.3900 0.3000
;
    24   1    29   65   parsed_2k39   1   
         5   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   6 and name N and not segid REF )
       ( resid   6 and name H and not segid REF )   5.0200 0.3000
;
    31   1    36   65   parsed_2k39   1   
         6   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   7 and name N and not segid REF )
       ( resid   7 and name H and not segid REF )   -2.6600 0.3000
;
    38   1    43   66   parsed_2k39   1   
         7   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   8 and name N and not segid REF )
       ( resid   8 and name H and not segid REF )   17.1600 0.3000
;
    45   1    50   66   parsed_2k39   1   
         8   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  11 and name N and not segid REF )
       ( resid  11 and name H and not segid REF )   -19.1900 0.3000
;
    52   1    57   67   parsed_2k39   1   
         9   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  12 and name N and not segid REF )
       ( resid  12 and name H and not segid REF )   4.2500 0.3000
;
    59   1    64   65   parsed_2k39   1   
        10   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  13 and name N and not segid REF )
       ( resid  13 and name H and not segid REF )   1.4900 0.3000
;
    66   1    71   65   parsed_2k39   1   
        11   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  14 and name N and not segid REF )
       ( resid  14 and name H and not segid REF )   7.7500 0.3000
;
    73   1    78   65   parsed_2k39   1   
        12   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  15 and name N and not segid REF )
       ( resid  15 and name H and not segid REF )   16.3200 0.3000
;
    80   1    85   66   parsed_2k39   1   
        13   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  16 and name N and not segid REF )
       ( resid  16 and name H and not segid REF )   -0.4800 0.3000
;
    87   1    92   66   parsed_2k39   1   
        14   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  17 and name N and not segid REF )
       ( resid  17 and name H and not segid REF )   2.6400 0.3000
;
    94   1    99   65   parsed_2k39   1   
        15   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  18 and name N and not segid REF )
       ( resid  18 and name H and not segid REF )   -23.3500 0.3000
;
   101   1   106   67   parsed_2k39   1   
        16   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  21 and name N and not segid REF )
       ( resid  21 and name H and not segid REF )   6.8800 0.3000
;
   108   1   113   65   parsed_2k39   1   
        17   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  22 and name N and not segid REF )
       ( resid  22 and name H and not segid REF )   27.3200 0.3000
;
   115   1   120   66   parsed_2k39   1   
        18   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  23 and name N and not segid REF )
       ( resid  23 and name H and not segid REF )   5.6400 0.3000
;
   122   1   127   65   parsed_2k39   1   
        19   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  25 and name N and not segid REF )
       ( resid  25 and name H and not segid REF )   -2.7200 0.3000
;
   129   1   134   66   parsed_2k39   1   
        20   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  26 and name N and not segid REF )
       ( resid  26 and name H and not segid REF )   4.9300 0.3000
;
   136   1   141   65   parsed_2k39   1   
        21   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  27 and name N and not segid REF )
       ( resid  27 and name H and not segid REF )   6.5600 0.3000
;
   143   1   148   65   parsed_2k39   1   
        22   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  28 and name N and not segid REF )
       ( resid  28 and name H and not segid REF )   -1.7600 0.3000
;
   150   1   155   66   parsed_2k39   1   
        23   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  29 and name N and not segid REF )
       ( resid  29 and name H and not segid REF )   3.4900 0.3000
;
   157   1   162   65   parsed_2k39   1   
        24   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  30 and name N and not segid REF )
       ( resid  30 and name H and not segid REF )   5.3800 0.3000
;
   164   1   169   65   parsed_2k39   1   
        25   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  32 and name N and not segid REF )
       ( resid  32 and name H and not segid REF )   -3.7100 0.3000
;
   171   1   176   66   parsed_2k39   1   
        26   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  33 and name N and not segid REF )
       ( resid  33 and name H and not segid REF )   4.2600 0.3000
;
   178   1   183   65   parsed_2k39   1   
        27   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  34 and name N and not segid REF )
       ( resid  34 and name H and not segid REF )   6.1200 0.3000
;
   185   1   190   65   parsed_2k39   1   
        28   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  35 and name N and not segid REF )
       ( resid  35 and name H and not segid REF )   -16.7700 0.3000
;
   192   1   197   67   parsed_2k39   1   
        29   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  36 and name N and not segid REF )
       ( resid  36 and name H and not segid REF )   -28.8900 0.3000
;
   199   1   204   67   parsed_2k39   1   
        30   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  40 and name N and not segid REF )
       ( resid  40 and name H and not segid REF )   -0.8300 0.3000
;
   206   1   211   66   parsed_2k39   1   
        31   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  41 and name N and not segid REF )
       ( resid  41 and name H and not segid REF )   30.1700 0.3000
;
   213   1   218   66   parsed_2k39   1   
        32   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  42 and name N and not segid REF )
       ( resid  42 and name H and not segid REF )   13.5900 0.3000
;
   220   1   225   66   parsed_2k39   1   
        33   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  43 and name N and not segid REF )
       ( resid  43 and name H and not segid REF )   16.2100 0.3000
;
   227   1   232   66   parsed_2k39   1   
        34   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  44 and name N and not segid REF )
       ( resid  44 and name H and not segid REF )   6.0300 0.3000
;
   234   1   239   65   parsed_2k39   1   
        35   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  45 and name N and not segid REF )
       ( resid  45 and name H and not segid REF )   -2.3000 0.3000
;
   241   1   246   66   parsed_2k39   1   
        36   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  48 and name N and not segid REF )
       ( resid  48 and name H and not segid REF )   -26.8200 0.3000
;
   248   1   253   67   parsed_2k39   1   
        37   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  49 and name N and not segid REF )
       ( resid  49 and name H and not segid REF )   -3.2300 0.3000
;
   255   1   260   66   parsed_2k39   1   
        38   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  50 and name N and not segid REF )
       ( resid  50 and name H and not segid REF )   3.4900 0.3000
;
   262   1   267   65   parsed_2k39   1   
        39   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  51 and name N and not segid REF )
       ( resid  51 and name H and not segid REF )   -18.4700 0.3000
;
   269   1   274   67   parsed_2k39   1   
        40   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  52 and name N and not segid REF )
       ( resid  52 and name H and not segid REF )   -32.7200 0.3000
;
   276   1   281   67   parsed_2k39   1   
        41   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  54 and name N and not segid REF )
       ( resid  54 and name H and not segid REF )   -7.4700 0.3000
;
   283   1   288   66   parsed_2k39   1   
        42   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  55 and name N and not segid REF )
       ( resid  55 and name H and not segid REF )   2.8900 0.3000
;
   290   1   295   65   parsed_2k39   1   
        43   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  56 and name N and not segid REF )
       ( resid  56 and name H and not segid REF )   21.0200 0.3000
;
   297   1   302   66   parsed_2k39   1   
        44   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  57 and name N and not segid REF )
       ( resid  57 and name H and not segid REF )   29.5100 0.3000
;
   304   1   309   66   parsed_2k39   1   
        45   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  58 and name N and not segid REF )
       ( resid  58 and name H and not segid REF )   13.8400 0.3000
;
   311   1   316   66   parsed_2k39   1   
        46   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  59 and name N and not segid REF )
       ( resid  59 and name H and not segid REF )   14.6300 0.3000
;
   318   1   323   66   parsed_2k39   1   
        47   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  60 and name N and not segid REF )
       ( resid  60 and name H and not segid REF )   28.2600 0.3000
;
   325   1   330   66   parsed_2k39   1   
        48   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  61 and name N and not segid REF )
       ( resid  61 and name H and not segid REF )   22.7200 0.3000
;
   332   1   337   66   parsed_2k39   1   
        49   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  62 and name N and not segid REF )
       ( resid  62 and name H and not segid REF )   18.1500 0.3000
;
   339   1   344   66   parsed_2k39   1   
        50   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  63 and name N and not segid REF )
       ( resid  63 and name H and not segid REF )   -18.8700 0.3000
;
   346   1   351   67   parsed_2k39   1   
        51   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  64 and name N and not segid REF )
       ( resid  64 and name H and not segid REF )   26.6700 0.3000
;
   353   1   358   66   parsed_2k39   1   
        52   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  65 and name N and not segid REF )
       ( resid  65 and name H and not segid REF )   22.3500 0.3000
;
   360   1   365   66   parsed_2k39   1   
        53   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  66 and name N and not segid REF )
       ( resid  66 and name H and not segid REF )   18.7500 0.3000
;
   367   1   372   66   parsed_2k39   1   
        54   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  67 and name N and not segid REF )
       ( resid  67 and name H and not segid REF )   9.1300 0.3000
;
   374   1   379   65   parsed_2k39   1   
        55   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  68 and name N and not segid REF )
       ( resid  68 and name H and not segid REF )   5.6900 0.3000
;
   381   1   386   65   parsed_2k39   1   
        56   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  69 and name N and not segid REF )
       ( resid  69 and name H and not segid REF )   13.6600 0.3000
;
   388   1   393   66   parsed_2k39   1   
        57   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  70 and name N and not segid REF )
       ( resid  70 and name H and not segid REF )   16.0500 0.3000
;
   395   1   400   66   parsed_2k39   1   
        58   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  71 and name N and not segid REF )
       ( resid  71 and name H and not segid REF )   24.6800 0.3000
;
   402   1   407   66   parsed_2k39   1   
        59   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  72 and name N and not segid REF )
       ( resid  72 and name H and not segid REF )   13.5900 0.3000
;
   409   1   414   66   parsed_2k39   1   
        60   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   3 and name CD and not segid REF )
       ( resid   3 and name CG1 and not segid REF )   -1.8720 0.3000
;
   416   1   421   68   parsed_2k39   1   
        61   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  13 and name CD and not segid REF )
       ( resid  13 and name CG1 and not segid REF )   -0.7900 0.3000
;
   423   1   428   68   parsed_2k39   1   
        62   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  15 and name CD2 and not segid REF )
       ( resid  15 and name CG and not segid REF )   1.2490 0.3000
;
   430   1   435   66   parsed_2k39   1   
        63   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  23 and name CD and not segid REF )
       ( resid  23 and name CG1 and not segid REF )   -1.5370 0.3000
;
   437   1   442   68   parsed_2k39   1   
        64   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  26 and name CB and not segid REF )
       ( resid  26 and name CG1 and not segid REF )   4.2420 0.3000
;
   444   1   449   67   parsed_2k39   1   
        65   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  30 and name CD and not segid REF )
       ( resid  30 and name CG1 and not segid REF )   1.9310 0.3000
;
   451   1   456   67   parsed_2k39   1   
        66   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  36 and name CD and not segid REF )
       ( resid  36 and name CG1 and not segid REF )   1.5190 0.3000
;
   458   1   463   67   parsed_2k39   1   
        67   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  43 and name CD2 and not segid REF )
       ( resid  43 and name CG and not segid REF )   1.2440 0.3000
;
   465   1   470   66   parsed_2k39   1   
        68   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  44 and name CD and not segid REF )
       ( resid  44 and name CG1 and not segid REF )   -0.3160 0.3000
;
   472   1   477   68   parsed_2k39   1   
        69   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  50 and name CD2 and not segid REF )
       ( resid  50 and name CG and not segid REF )   -0.4660 0.3000
;
   479   1   484   67   parsed_2k39   1   
        70   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  56 and name CD2 and not segid REF )
       ( resid  56 and name CG and not segid REF )   -1.0420 0.3000
;
   486   1   491   67   parsed_2k39   1   
        71   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  61 and name CD and not segid REF )
       ( resid  61 and name CG1 and not segid REF )   -2.3030 0.3000
;
   493   1   498   68   parsed_2k39   1   
        72   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  67 and name CD2 and not segid REF )
       ( resid  67 and name CG and not segid REF )   3.1870 0.3000
;
   500   1   505   66   parsed_2k39   1   
        73   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  71 and name CD2 and not segid REF )
       ( resid  71 and name CG and not segid REF )   -0.0720 0.3000
;
   507   1   512   67   parsed_2k39   1   
        74   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  73 and name CD2 and not segid REF )
       ( resid  73 and name CG and not segid REF )   1.0340 0.3000
;
   514   1   519   66   parsed_2k39   1   
        75   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   3 and name CB and not segid REF )
       ( resid   3 and name CG2 and not segid REF )   -2.3600 0.3000
;
   521   1   526   68   parsed_2k39   1   
        76   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   5 and name CB and not segid REF )
       ( resid   5 and name CG2 and not segid REF )   0.9460 0.3000
;
   528   1   533   67   parsed_2k39   1   
        77   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   7 and name CB and not segid REF )
       ( resid   7 and name CG2 and not segid REF )   1.8870 0.3000
;
   535   1   540   67   parsed_2k39   1   
        78   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   8 and name CD1 and not segid REF )
       ( resid   8 and name CG and not segid REF )   -1.9510 0.3000
;
   542   1   547   67   parsed_2k39   1   
        79   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid   9 and name CB and not segid REF )
       ( resid   9 and name CG2 and not segid REF )   -3.9430 0.3000
;
   549   1   554   68   parsed_2k39   1   
        80   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  12 and name CB and not segid REF )
       ( resid  12 and name CG2 and not segid REF )   -1.8980 0.3000
;
   556   1   561   68   parsed_2k39   1   
        81   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  13 and name CB and not segid REF )
       ( resid  13 and name CG2 and not segid REF )   2.2980 0.3000
;
   563   1   568   67   parsed_2k39   1   
        82   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  14 and name CB and not segid REF )
       ( resid  14 and name CG2 and not segid REF )   -3.3460 0.3000
;
   570   1   575   68   parsed_2k39   1   
        83   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  17 and name CB and not segid REF )
       ( resid  17 and name CG2 and not segid REF )   4.1940 0.3000
;
   577   1   582   67   parsed_2k39   1   
        84   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  22 and name CB and not segid REF )
       ( resid  22 and name CG2 and not segid REF )   0.8230 0.3000
;
   584   1   589   67   parsed_2k39   1   
        85   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  23 and name CB and not segid REF )
       ( resid  23 and name CG2 and not segid REF )   -2.3180 0.3000
;
   591   1   596   68   parsed_2k39   1   
        86   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  30 and name CB and not segid REF )
       ( resid  30 and name CG2 and not segid REF )   -2.4680 0.3000
;
   598   1   603   68   parsed_2k39   1   
        87   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  36 and name CB and not segid REF )
       ( resid  36 and name CG2 and not segid REF )   -1.6790 0.3000
;
   605   1   610   68   parsed_2k39   1   
        88   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  44 and name CB and not segid REF )
       ( resid  44 and name CG2 and not segid REF )   3.4410 0.3000
;
   612   1   617   67   parsed_2k39   1   
        89   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  50 and name CD1 and not segid REF )
       ( resid  50 and name CG and not segid REF )   -1.6310 0.3000
;
   619   1   624   67   parsed_2k39   1   
        90   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  55 and name CB and not segid REF )
       ( resid  55 and name CG2 and not segid REF )   5.8450 0.3000
;
   626   1   631   67   parsed_2k39   1   
        91   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  61 and name CB and not segid REF )
       ( resid  61 and name CG2 and not segid REF )   1.1440 0.3000
;
   633   1   638   67   parsed_2k39   1   
        92   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  67 and name CD1 and not segid REF )
       ( resid  67 and name CG and not segid REF )   -0.9510 0.3000
;
   640   1   645   67   parsed_2k39   1   
        93   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  70 and name CB and not segid REF )
       ( resid  70 and name CG2 and not segid REF )   1.4670 0.3000
;
   647   1   652   67   parsed_2k39   1   
        94   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  73 and name CD1 and not segid REF )
       ( resid  73 and name CG and not segid REF )   1.0990 0.3000
;
   654   1   659   66   parsed_2k39   1   
        95   
;
assign ( resid 513 and name OO  )
       ( resid 513 and name Z   )
       ( resid 513 and name X   )
       ( resid 513 and name Y   )
       ( resid  46 and name CA and not segid REF )
       ( resid  46 and name CB and not segid REF )   -4.8530 0.3000
;
   661   1   666   67   parsed_2k39   1   
    stop_

save_





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