NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type
516876 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_4
    _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            4 
    _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 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   4 and name N and not segid REF )
       ( resid   4 and name H and not segid REF )   -3.1620 0.3000
;
     1   1     6   66   parsed_2k39   1   
         2   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   5 and name N and not segid REF )
       ( resid   5 and name H and not segid REF )   -2.6200 0.3000
;
     8   1    13   66   parsed_2k39   1   
         3   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   6 and name N and not segid REF )
       ( resid   6 and name H and not segid REF )   12.1600 0.3000
;
    15   1    20   66   parsed_2k39   1   
         4   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   7 and name N and not segid REF )
       ( resid   7 and name H and not segid REF )   12.1700 0.3000
;
    22   1    27   66   parsed_2k39   1   
         5   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   8 and name N and not segid REF )
       ( resid   8 and name H and not segid REF )   3.7540 0.3000
;
    29   1    34   65   parsed_2k39   1   
         6   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  11 and name N and not segid REF )
       ( resid  11 and name H and not segid REF )   17.9100 0.3000
;
    36   1    41   66   parsed_2k39   1   
         7   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  12 and name N and not segid REF )
       ( resid  12 and name H and not segid REF )   12.2200 0.3000
;
    43   1    48   66   parsed_2k39   1   
         8   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  14 and name N and not segid REF )
       ( resid  14 and name H and not segid REF )   5.4160 0.3000
;
    50   1    55   65   parsed_2k39   1   
         9   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  15 and name N and not segid REF )
       ( resid  15 and name H and not segid REF )   -9.8990 0.3000
;
    57   1    62   66   parsed_2k39   1   
        10   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  16 and name N and not segid REF )
       ( resid  16 and name H and not segid REF )   10.3500 0.3000
;
    64   1    69   66   parsed_2k39   1   
        11   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  17 and name N and not segid REF )
       ( resid  17 and name H and not segid REF )   10.4000 0.3000
;
    71   1    76   66   parsed_2k39   1   
        12   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  18 and name N and not segid REF )
       ( resid  18 and name H and not segid REF )   20.8500 0.3000
;
    78   1    83   66   parsed_2k39   1   
        13   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  20 and name N and not segid REF )
       ( resid  20 and name H and not segid REF )   -9.4180 0.3000
;
    85   1    90   66   parsed_2k39   1   
        14   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  23 and name N and not segid REF )
       ( resid  23 and name H and not segid REF )   11.9300 0.3000
;
    92   1    97   66   parsed_2k39   1   
        15   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  25 and name N and not segid REF )
       ( resid  25 and name H and not segid REF )   18.6200 0.3000
;
    99   1   104   66   parsed_2k39   1   
        16   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  26 and name N and not segid REF )
       ( resid  26 and name H and not segid REF )   10.9800 0.3000
;
   106   1   111   66   parsed_2k39   1   
        17   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  27 and name N and not segid REF )
       ( resid  27 and name H and not segid REF )   16.5800 0.3000
;
   113   1   118   66   parsed_2k39   1   
        18   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  29 and name N and not segid REF )
       ( resid  29 and name H and not segid REF )   11.7800 0.3000
;
   120   1   125   66   parsed_2k39   1   
        19   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  30 and name N and not segid REF )
       ( resid  30 and name H and not segid REF )   14.9300 0.3000
;
   127   1   132   66   parsed_2k39   1   
        20   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  31 and name N and not segid REF )
       ( resid  31 and name H and not segid REF )   12.7500 0.3000
;
   134   1   139   66   parsed_2k39   1   
        21   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  32 and name N and not segid REF )
       ( resid  32 and name H and not segid REF )   19.1900 0.3000
;
   141   1   146   66   parsed_2k39   1   
        22   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  33 and name N and not segid REF )
       ( resid  33 and name H and not segid REF )   9.7560 0.3000
;
   148   1   153   65   parsed_2k39   1   
        23   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  34 and name N and not segid REF )
       ( resid  34 and name H and not segid REF )   16.1300 0.3000
;
   155   1   160   66   parsed_2k39   1   
        24   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  35 and name N and not segid REF )
       ( resid  35 and name H and not segid REF )   -8.0810 0.3000
;
   162   1   167   66   parsed_2k39   1   
        25   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  36 and name N and not segid REF )
       ( resid  36 and name H and not segid REF )   22.1300 0.3000
;
   169   1   174   66   parsed_2k39   1   
        26   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  39 and name N and not segid REF )
       ( resid  39 and name H and not segid REF )   -16.5520 0.3000
;
   176   1   181   67   parsed_2k39   1   
        27   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  40 and name N and not segid REF )
       ( resid  40 and name H and not segid REF )   -24.7110 0.3000
;
   183   1   188   67   parsed_2k39   1   
        28   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  41 and name N and not segid REF )
       ( resid  41 and name H and not segid REF )   -23.3030 0.3000
;
   190   1   195   67   parsed_2k39   1   
        29   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  42 and name N and not segid REF )
       ( resid  42 and name H and not segid REF )   8.3930 0.3000
;
   197   1   202   65   parsed_2k39   1   
        30   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  43 and name N and not segid REF )
       ( resid  43 and name H and not segid REF )   12.0700 0.3000
;
   204   1   209   66   parsed_2k39   1   
        31   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  44 and name N and not segid REF )
       ( resid  44 and name H and not segid REF )   17.7400 0.3000
;
   211   1   216   66   parsed_2k39   1   
        32   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  45 and name N and not segid REF )
       ( resid  45 and name H and not segid REF )   14.5500 0.3000
;
   218   1   223   66   parsed_2k39   1   
        33   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  47 and name N and not segid REF )
       ( resid  47 and name H and not segid REF )   11.2600 0.3000
;
   225   1   230   66   parsed_2k39   1   
        34   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  48 and name N and not segid REF )
       ( resid  48 and name H and not segid REF )   5.5310 0.3000
;
   232   1   237   65   parsed_2k39   1   
        35   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  49 and name N and not segid REF )
       ( resid  49 and name H and not segid REF )   -6.6490 0.3000
;
   239   1   244   66   parsed_2k39   1   
        36   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  51 and name N and not segid REF )
       ( resid  51 and name H and not segid REF )   21.6600 0.3000
;
   246   1   251   66   parsed_2k39   1   
        37   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  52 and name N and not segid REF )
       ( resid  52 and name H and not segid REF )   4.3850 0.3000
;
   253   1   258   65   parsed_2k39   1   
        38   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  54 and name N and not segid REF )
       ( resid  54 and name H and not segid REF )   -0.8960 0.3000
;
   260   1   265   66   parsed_2k39   1   
        39   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  55 and name N and not segid REF )
       ( resid  55 and name H and not segid REF )   13.2000 0.3000
;
   267   1   272   66   parsed_2k39   1   
        40   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  57 and name N and not segid REF )
       ( resid  57 and name H and not segid REF )   -33.6790 0.3000
;
   274   1   279   67   parsed_2k39   1   
        41   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  58 and name N and not segid REF )
       ( resid  58 and name H and not segid REF )   -3.9900 0.3000
;
   281   1   286   66   parsed_2k39   1   
        42   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  59 and name N and not segid REF )
       ( resid  59 and name H and not segid REF )   -18.2620 0.3000
;
   288   1   293   67   parsed_2k39   1   
        43   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  60 and name N and not segid REF )
       ( resid  60 and name H and not segid REF )   -20.6300 0.3000
;
   295   1   300   67   parsed_2k39   1   
        44   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  61 and name N and not segid REF )
       ( resid  61 and name H and not segid REF )   -2.0190 0.3000
;
   302   1   307   66   parsed_2k39   1   
        45   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  62 and name N and not segid REF )
       ( resid  62 and name H and not segid REF )   -29.5960 0.3000
;
   309   1   314   67   parsed_2k39   1   
        46   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  63 and name N and not segid REF )
       ( resid  63 and name H and not segid REF )   9.7620 0.3000
;
   316   1   321   65   parsed_2k39   1   
        47   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  64 and name N and not segid REF )
       ( resid  64 and name H and not segid REF )   -21.5470 0.3000
;
   323   1   328   67   parsed_2k39   1   
        48   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  65 and name N and not segid REF )
       ( resid  65 and name H and not segid REF )   -23.2240 0.3000
;
   330   1   335   67   parsed_2k39   1   
        49   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  66 and name N and not segid REF )
       ( resid  66 and name H and not segid REF )   -14.1370 0.3000
;
   337   1   342   67   parsed_2k39   1   
        50   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  67 and name N and not segid REF )
       ( resid  67 and name H and not segid REF )   -4.6310 0.3000
;
   344   1   349   66   parsed_2k39   1   
        51   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  68 and name N and not segid REF )
       ( resid  68 and name H and not segid REF )   17.9100 0.3000
;
   351   1   356   66   parsed_2k39   1   
        52   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  69 and name N and not segid REF )
       ( resid  69 and name H and not segid REF )   15.9600 0.3000
;
   358   1   363   66   parsed_2k39   1   
        53   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  70 and name N and not segid REF )
       ( resid  70 and name H and not segid REF )   1.2560 0.3000
;
   365   1   370   65   parsed_2k39   1   
        54   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  71 and name N and not segid REF )
       ( resid  71 and name H and not segid REF )   -13.7580 0.3000
;
   372   1   377   67   parsed_2k39   1   
        55   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   3 and name CD and not segid REF )
       ( resid   3 and name CG1 and not segid REF )   2.4630 0.3000
;
   379   1   384   67   parsed_2k39   1   
        56   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  13 and name CD and not segid REF )
       ( resid  13 and name CG1 and not segid REF )   1.4230 0.3000
;
   386   1   391   67   parsed_2k39   1   
        57   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  15 and name CD2 and not segid REF )
       ( resid  15 and name CG and not segid REF )   0.3810 0.3000
;
   393   1   398   66   parsed_2k39   1   
        58   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  23 and name CD and not segid REF )
       ( resid  23 and name CG1 and not segid REF )   2.5890 0.3000
;
   400   1   405   67   parsed_2k39   1   
        59   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  26 and name CB and not segid REF )
       ( resid  26 and name CG1 and not segid REF )   -0.8420 0.3000
;
   407   1   412   68   parsed_2k39   1   
        60   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  30 and name CD and not segid REF )
       ( resid  30 and name CG1 and not segid REF )   -2.5540 0.3000
;
   414   1   419   68   parsed_2k39   1   
        61   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  36 and name CD and not segid REF )
       ( resid  36 and name CG1 and not segid REF )   -0.0360 0.3000
;
   421   1   426   68   parsed_2k39   1   
        62   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  43 and name CD2 and not segid REF )
       ( resid  43 and name CG and not segid REF )   1.6620 0.3000
;
   428   1   433   66   parsed_2k39   1   
        63   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  44 and name CD and not segid REF )
       ( resid  44 and name CG1 and not segid REF )   0.0120 0.3000
;
   435   1   440   67   parsed_2k39   1   
        64   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  50 and name CD2 and not segid REF )
       ( resid  50 and name CG and not segid REF )   2.0460 0.3000
;
   442   1   447   66   parsed_2k39   1   
        65   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  56 and name CD2 and not segid REF )
       ( resid  56 and name CG and not segid REF )   -2.4770 0.3000
;
   449   1   454   67   parsed_2k39   1   
        66   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  61 and name CD and not segid REF )
       ( resid  61 and name CG1 and not segid REF )   2.0920 0.3000
;
   456   1   461   67   parsed_2k39   1   
        67   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  67 and name CD2 and not segid REF )
       ( resid  67 and name CG and not segid REF )   -0.6100 0.3000
;
   463   1   468   67   parsed_2k39   1   
        68   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  71 and name CD2 and not segid REF )
       ( resid  71 and name CG and not segid REF )   0.9450 0.3000
;
   470   1   475   66   parsed_2k39   1   
        69   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  73 and name CD2 and not segid REF )
       ( resid  73 and name CG and not segid REF )   -1.5670 0.3000
;
   477   1   482   67   parsed_2k39   1   
        70   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   3 and name CB and not segid REF )
       ( resid   3 and name CG2 and not segid REF )   2.5440 0.3000
;
   484   1   489   67   parsed_2k39   1   
        71   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   5 and name CB and not segid REF )
       ( resid   5 and name CG2 and not segid REF )   -0.6990 0.3000
;
   491   1   496   68   parsed_2k39   1   
        72   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   7 and name CB and not segid REF )
       ( resid   7 and name CG2 and not segid REF )   -5.6180 0.3000
;
   498   1   503   68   parsed_2k39   1   
        73   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   8 and name CD1 and not segid REF )
       ( resid   8 and name CG and not segid REF )   1.2190 0.3000
;
   505   1   510   66   parsed_2k39   1   
        74   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid   9 and name CB and not segid REF )
       ( resid   9 and name CG2 and not segid REF )   2.2460 0.3000
;
   512   1   517   67   parsed_2k39   1   
        75   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  12 and name CB and not segid REF )
       ( resid  12 and name CG2 and not segid REF )   1.5400 0.3000
;
   519   1   524   67   parsed_2k39   1   
        76   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  13 and name CB and not segid REF )
       ( resid  13 and name CG2 and not segid REF )   -2.7560 0.3000
;
   526   1   531   68   parsed_2k39   1   
        77   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  14 and name CB and not segid REF )
       ( resid  14 and name CG2 and not segid REF )   1.1400 0.3000
;
   533   1   538   67   parsed_2k39   1   
        78   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  17 and name CB and not segid REF )
       ( resid  17 and name CG2 and not segid REF )   -1.5480 0.3000
;
   540   1   545   68   parsed_2k39   1   
        79   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  22 and name CB and not segid REF )
       ( resid  22 and name CG2 and not segid REF )   0.1050 0.3000
;
   547   1   552   67   parsed_2k39   1   
        80   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  23 and name CB and not segid REF )
       ( resid  23 and name CG2 and not segid REF )   -0.1660 0.3000
;
   554   1   559   68   parsed_2k39   1   
        81   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  30 and name CB and not segid REF )
       ( resid  30 and name CG2 and not segid REF )   -1.4510 0.3000
;
   561   1   566   68   parsed_2k39   1   
        82   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  36 and name CB and not segid REF )
       ( resid  36 and name CG2 and not segid REF )   -1.3200 0.3000
;
   568   1   573   68   parsed_2k39   1   
        83   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  44 and name CB and not segid REF )
       ( resid  44 and name CG2 and not segid REF )   -1.8520 0.3000
;
   575   1   580   68   parsed_2k39   1   
        84   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  50 and name CD1 and not segid REF )
       ( resid  50 and name CG and not segid REF )   -0.7640 0.3000
;
   582   1   587   67   parsed_2k39   1   
        85   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  55 and name CB and not segid REF )
       ( resid  55 and name CG2 and not segid REF )   -2.7890 0.3000
;
   589   1   594   68   parsed_2k39   1   
        86   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  61 and name CB and not segid REF )
       ( resid  61 and name CG2 and not segid REF )   2.2800 0.3000
;
   596   1   601   67   parsed_2k39   1   
        87   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  67 and name CD1 and not segid REF )
       ( resid  67 and name CG and not segid REF )   0.2450 0.3000
;
   603   1   608   66   parsed_2k39   1   
        88   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  70 and name CB and not segid REF )
       ( resid  70 and name CG2 and not segid REF )   1.3780 0.3000
;
   610   1   615   67   parsed_2k39   1   
        89   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  73 and name CD1 and not segid REF )
       ( resid  73 and name CG and not segid REF )   -0.6350 0.3000
;
   617   1   622   67   parsed_2k39   1   
        90   
;
assign ( resid 503 and name OO  )
       ( resid 503 and name Z   )
       ( resid 503 and name X   )
       ( resid 503 and name Y   )
       ( resid  46 and name CA and not segid REF )
       ( resid  46 and name CB and not segid REF )   2.8920 0.3000
;
   624   1   629   66   parsed_2k39   1   
    stop_

save_





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