NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type
516874 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_2
    _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            2 
    _RDC_constraint_list.Details            "Generated by Wattos" 

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

         1   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   2 and name N and not segid REF )
       ( resid   2 and name H and not segid REF )   1.8100 0.3000
;
    14   1    19   65   parsed_2k39   1   
         2   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   3 and name N and not segid REF )
       ( resid   3 and name H and not segid REF )   -2.2480 0.3000
;
    21   1    26   66   parsed_2k39   1   
         3   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   4 and name N and not segid REF )
       ( resid   4 and name H and not segid REF )   -2.1300 0.3000
;
    28   1    33   66   parsed_2k39   1   
         4   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   5 and name N and not segid REF )
       ( resid   5 and name H and not segid REF )   0.8880 0.3000
;
    35   1    40   65   parsed_2k39   1   
         5   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   6 and name N and not segid REF )
       ( resid   6 and name H and not segid REF )   1.9050 0.3000
;
    42   1    47   65   parsed_2k39   1   
         6   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   7 and name N and not segid REF )
       ( resid   7 and name H and not segid REF )   2.0090 0.3000
;
    49   1    54   65   parsed_2k39   1   
         7   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  11 and name N and not segid REF )
       ( resid  11 and name H and not segid REF )   3.4700 0.3000
;
    56   1    61   65   parsed_2k39   1   
         8   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  12 and name N and not segid REF )
       ( resid  12 and name H and not segid REF )   1.4960 0.3000
;
    63   1    68   65   parsed_2k39   1   
         9   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  13 and name N and not segid REF )
       ( resid  13 and name H and not segid REF )   1.9340 0.3000
;
    70   1    75   65   parsed_2k39   1   
        10   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  14 and name N and not segid REF )
       ( resid  14 and name H and not segid REF )   0.8100 0.3000
;
    77   1    82   65   parsed_2k39   1   
        11   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  15 and name N and not segid REF )
       ( resid  15 and name H and not segid REF )   -3.1940 0.3000
;
    84   1    89   66   parsed_2k39   1   
        12   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  16 and name N and not segid REF )
       ( resid  16 and name H and not segid REF )   -0.5670 0.3000
;
    91   1    96   66   parsed_2k39   1   
        13   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  17 and name N and not segid REF )
       ( resid  17 and name H and not segid REF )   -2.6300 0.3000
;
    98   1   103   66   parsed_2k39   1   
        14   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  18 and name N and not segid REF )
       ( resid  18 and name H and not segid REF )   2.6820 0.3000
;
   105   1   110   65   parsed_2k39   1   
        15   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  20 and name N and not segid REF )
       ( resid  20 and name H and not segid REF )   3.2220 0.3000
;
   112   1   117   65   parsed_2k39   1   
        16   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  21 and name N and not segid REF )
       ( resid  21 and name H and not segid REF )   -2.5480 0.3000
;
   119   1   124   66   parsed_2k39   1   
        17   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  23 and name N and not segid REF )
       ( resid  23 and name H and not segid REF )   1.7840 0.3000
;
   126   1   131   65   parsed_2k39   1   
        18   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  25 and name N and not segid REF )
       ( resid  25 and name H and not segid REF )   2.4720 0.3000
;
   133   1   138   65   parsed_2k39   1   
        19   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  26 and name N and not segid REF )
       ( resid  26 and name H and not segid REF )   2.0260 0.3000
;
   140   1   145   65   parsed_2k39   1   
        20   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  27 and name N and not segid REF )
       ( resid  27 and name H and not segid REF )   1.1780 0.3000
;
   147   1   152   65   parsed_2k39   1   
        21   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  28 and name N and not segid REF )
       ( resid  28 and name H and not segid REF )   2.7170 0.3000
;
   154   1   159   65   parsed_2k39   1   
        22   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  29 and name N and not segid REF )
       ( resid  29 and name H and not segid REF )   1.6400 0.3000
;
   161   1   166   65   parsed_2k39   1   
        23   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  30 and name N and not segid REF )
       ( resid  30 and name H and not segid REF )   1.9210 0.3000
;
   168   1   173   65   parsed_2k39   1   
        24   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  31 and name N and not segid REF )
       ( resid  31 and name H and not segid REF )   1.1290 0.3000
;
   175   1   180   65   parsed_2k39   1   
        25   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  32 and name N and not segid REF )
       ( resid  32 and name H and not segid REF )   2.6120 0.3000
;
   182   1   187   65   parsed_2k39   1   
        26   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  33 and name N and not segid REF )
       ( resid  33 and name H and not segid REF )   1.5220 0.3000
;
   189   1   194   65   parsed_2k39   1   
        27   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  34 and name N and not segid REF )
       ( resid  34 and name H and not segid REF )   1.2460 0.3000
;
   196   1   201   65   parsed_2k39   1   
        28   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  35 and name N and not segid REF )
       ( resid  35 and name H and not segid REF )   2.5050 0.3000
;
   203   1   208   65   parsed_2k39   1   
        29   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  36 and name N and not segid REF )
       ( resid  36 and name H and not segid REF )   4.0050 0.3000
;
   210   1   215   65   parsed_2k39   1   
        30   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  39 and name N and not segid REF )
       ( resid  39 and name H and not segid REF )   -3.7810 0.3000
;
   217   1   222   66   parsed_2k39   1   
        31   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  40 and name N and not segid REF )
       ( resid  40 and name H and not segid REF )   0.5400 0.3000
;
   224   1   229   65   parsed_2k39   1   
        32   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  41 and name N and not segid REF )
       ( resid  41 and name H and not segid REF )   -7.2630 0.3000
;
   231   1   236   66   parsed_2k39   1   
        33   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  42 and name N and not segid REF )
       ( resid  42 and name H and not segid REF )   -1.9980 0.3000
;
   238   1   243   66   parsed_2k39   1   
        34   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  43 and name N and not segid REF )
       ( resid  43 and name H and not segid REF )   -2.4250 0.3000
;
   245   1   250   66   parsed_2k39   1   
        35   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  44 and name N and not segid REF )
       ( resid  44 and name H and not segid REF )   1.4660 0.3000
;
   252   1   257   65   parsed_2k39   1   
        36   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  45 and name N and not segid REF )
       ( resid  45 and name H and not segid REF )   2.3950 0.3000
;
   259   1   264   65   parsed_2k39   1   
        37   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  47 and name N and not segid REF )
       ( resid  47 and name H and not segid REF )   1.8310 0.3000
;
   266   1   271   65   parsed_2k39   1   
        38   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  48 and name N and not segid REF )
       ( resid  48 and name H and not segid REF )   5.1500 0.3000
;
   273   1   278   65   parsed_2k39   1   
        39   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  49 and name N and not segid REF )
       ( resid  49 and name H and not segid REF )   2.3600 0.3000
;
   280   1   285   65   parsed_2k39   1   
        40   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  50 and name N and not segid REF )
       ( resid  50 and name H and not segid REF )   -0.2430 0.3000
;
   287   1   292   66   parsed_2k39   1   
        41   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  51 and name N and not segid REF )
       ( resid  51 and name H and not segid REF )   3.4970 0.3000
;
   294   1   299   65   parsed_2k39   1   
        42   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  52 and name N and not segid REF )
       ( resid  52 and name H and not segid REF )   5.5580 0.3000
;
   301   1   306   65   parsed_2k39   1   
        43   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  54 and name N and not segid REF )
       ( resid  54 and name H and not segid REF )   1.2160 0.3000
;
   308   1   313   65   parsed_2k39   1   
        44   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  55 and name N and not segid REF )
       ( resid  55 and name H and not segid REF )   1.7200 0.3000
;
   315   1   320   65   parsed_2k39   1   
        45   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  56 and name N and not segid REF )
       ( resid  56 and name H and not segid REF )   -4.7160 0.3000
;
   322   1   327   66   parsed_2k39   1   
        46   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  57 and name N and not segid REF )
       ( resid  57 and name H and not segid REF )   -6.6080 0.3000
;
   329   1   334   66   parsed_2k39   1   
        47   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  58 and name N and not segid REF )
       ( resid  58 and name H and not segid REF )   -3.2270 0.3000
;
   336   1   341   66   parsed_2k39   1   
        48   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  59 and name N and not segid REF )
       ( resid  59 and name H and not segid REF )   -1.3220 0.3000
;
   343   1   348   66   parsed_2k39   1   
        49   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  60 and name N and not segid REF )
       ( resid  60 and name H and not segid REF )   -6.7870 0.3000
;
   350   1   355   66   parsed_2k39   1   
        50   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  61 and name N and not segid REF )
       ( resid  61 and name H and not segid REF )   -6.2390 0.3000
;
   357   1   362   66   parsed_2k39   1   
        51   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  63 and name N and not segid REF )
       ( resid  63 and name H and not segid REF )   3.5250 0.3000
;
   364   1   369   65   parsed_2k39   1   
        52   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  64 and name N and not segid REF )
       ( resid  64 and name H and not segid REF )   -6.3910 0.3000
;
   371   1   376   66   parsed_2k39   1   
        53   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  65 and name N and not segid REF )
       ( resid  65 and name H and not segid REF )   -3.8420 0.3000
;
   378   1   383   66   parsed_2k39   1   
        54   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  66 and name N and not segid REF )
       ( resid  66 and name H and not segid REF )   -3.1240 0.3000
;
   385   1   390   66   parsed_2k39   1   
        55   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  67 and name N and not segid REF )
       ( resid  67 and name H and not segid REF )   0.2790 0.3000
;
   392   1   397   65   parsed_2k39   1   
        56   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  68 and name N and not segid REF )
       ( resid  68 and name H and not segid REF )   1.5810 0.3000
;
   399   1   404   65   parsed_2k39   1   
        57   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  69 and name N and not segid REF )
       ( resid  69 and name H and not segid REF )   -1.6930 0.3000
;
   406   1   411   66   parsed_2k39   1   
        58   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  70 and name N and not segid REF )
       ( resid  70 and name H and not segid REF )   -2.6930 0.3000
;
   413   1   418   66   parsed_2k39   1   
        59   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  71 and name N and not segid REF )
       ( resid  71 and name H and not segid REF )   -5.9710 0.3000
;
   420   1   425   66   parsed_2k39   1   
        60   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  72 and name N and not segid REF )
       ( resid  72 and name H and not segid REF )   -3.1390 0.3000
;
   427   1   432   66   parsed_2k39   1   
        61   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   3 and name CD and not segid REF )
       ( resid   3 and name CG1 and not segid REF )   0.6090 0.3000
;
   434   1   439   67   parsed_2k39   1   
        62   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  13 and name CD and not segid REF )
       ( resid  13 and name CG1 and not segid REF )   -0.0120 0.3000
;
   441   1   446   68   parsed_2k39   1   
        63   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  15 and name CD2 and not segid REF )
       ( resid  15 and name CG and not segid REF )   -0.1270 0.3000
;
   448   1   453   67   parsed_2k39   1   
        64   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  23 and name CD and not segid REF )
       ( resid  23 and name CG1 and not segid REF )   0.2570 0.3000
;
   455   1   460   67   parsed_2k39   1   
        65   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  26 and name CB and not segid REF )
       ( resid  26 and name CG1 and not segid REF )   -0.9310 0.3000
;
   462   1   467   68   parsed_2k39   1   
        66   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  30 and name CD and not segid REF )
       ( resid  30 and name CG1 and not segid REF )   0.1070 0.3000
;
   469   1   474   67   parsed_2k39   1   
        67   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  36 and name CD and not segid REF )
       ( resid  36 and name CG1 and not segid REF )   -0.5440 0.3000
;
   476   1   481   68   parsed_2k39   1   
        68   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  43 and name CD2 and not segid REF )
       ( resid  43 and name CG and not segid REF )   -0.0420 0.3000
;
   483   1   488   67   parsed_2k39   1   
        69   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  44 and name CD and not segid REF )
       ( resid  44 and name CG1 and not segid REF )   0.1020 0.3000
;
   490   1   495   67   parsed_2k39   1   
        70   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  50 and name CD2 and not segid REF )
       ( resid  50 and name CG and not segid REF )   0.3710 0.3000
;
   497   1   502   66   parsed_2k39   1   
        71   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  56 and name CD2 and not segid REF )
       ( resid  56 and name CG and not segid REF )   -0.0550 0.3000
;
   504   1   509   67   parsed_2k39   1   
        72   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  61 and name CD and not segid REF )
       ( resid  61 and name CG1 and not segid REF )   0.1190 0.3000
;
   511   1   516   67   parsed_2k39   1   
        73   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  67 and name CD2 and not segid REF )
       ( resid  67 and name CG and not segid REF )   -0.7300 0.3000
;
   518   1   523   67   parsed_2k39   1   
        74   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  71 and name CD2 and not segid REF )
       ( resid  71 and name CG and not segid REF )   0.1970 0.3000
;
   525   1   530   66   parsed_2k39   1   
        75   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  73 and name CD2 and not segid REF )
       ( resid  73 and name CG and not segid REF )   -0.1020 0.3000
;
   532   1   537   67   parsed_2k39   1   
        76   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   3 and name CB and not segid REF )
       ( resid   3 and name CG2 and not segid REF )   0.8990 0.3000
;
   539   1   544   67   parsed_2k39   1   
        77   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   5 and name CB and not segid REF )
       ( resid   5 and name CG2 and not segid REF )   -0.1610 0.3000
;
   546   1   551   68   parsed_2k39   1   
        78   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   7 and name CB and not segid REF )
       ( resid   7 and name CG2 and not segid REF )   -0.7740 0.3000
;
   553   1   558   68   parsed_2k39   1   
        79   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   8 and name CD1 and not segid REF )
       ( resid   8 and name CG and not segid REF )   0.5310 0.3000
;
   560   1   565   66   parsed_2k39   1   
        80   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid   9 and name CB and not segid REF )
       ( resid   9 and name CG2 and not segid REF )   0.5720 0.3000
;
   567   1   572   67   parsed_2k39   1   
        81   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  12 and name CB and not segid REF )
       ( resid  12 and name CG2 and not segid REF )   0.3740 0.3000
;
   574   1   579   67   parsed_2k39   1   
        82   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  13 and name CB and not segid REF )
       ( resid  13 and name CG2 and not segid REF )   -0.7220 0.3000
;
   581   1   586   68   parsed_2k39   1   
        83   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  14 and name CB and not segid REF )
       ( resid  14 and name CG2 and not segid REF )   0.4220 0.3000
;
   588   1   593   67   parsed_2k39   1   
        84   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  17 and name CB and not segid REF )
       ( resid  17 and name CG2 and not segid REF )   -1.1290 0.3000
;
   595   1   600   68   parsed_2k39   1   
        85   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  22 and name CB and not segid REF )
       ( resid  22 and name CG2 and not segid REF )   -0.1940 0.3000
;
   602   1   607   68   parsed_2k39   1   
        86   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  23 and name CB and not segid REF )
       ( resid  23 and name CG2 and not segid REF )   0.3130 0.3000
;
   609   1   614   67   parsed_2k39   1   
        87   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  30 and name CB and not segid REF )
       ( resid  30 and name CG2 and not segid REF )   0.0440 0.3000
;
   616   1   621   67   parsed_2k39   1   
        88   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  36 and name CB and not segid REF )
       ( resid  36 and name CG2 and not segid REF )   0.5340 0.3000
;
   623   1   628   67   parsed_2k39   1   
        89   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  44 and name CB and not segid REF )
       ( resid  44 and name CG2 and not segid REF )   -0.2970 0.3000
;
   630   1   635   68   parsed_2k39   1   
        90   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  50 and name CD1 and not segid REF )
       ( resid  50 and name CG and not segid REF )   0.5220 0.3000
;
   637   1   642   66   parsed_2k39   1   
        91   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  55 and name CB and not segid REF )
       ( resid  55 and name CG2 and not segid REF )   -1.4130 0.3000
;
   644   1   649   68   parsed_2k39   1   
        92   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  61 and name CB and not segid REF )
       ( resid  61 and name CG2 and not segid REF )   0.3660 0.3000
;
   651   1   656   67   parsed_2k39   1   
        93   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  67 and name CD1 and not segid REF )
       ( resid  67 and name CG and not segid REF )   -0.0540 0.3000
;
   658   1   663   67   parsed_2k39   1   
        94   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  70 and name CB and not segid REF )
       ( resid  70 and name CG2 and not segid REF )   -0.4460 0.3000
;
   665   1   670   68   parsed_2k39   1   
        95   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  73 and name CD1 and not segid REF )
       ( resid  73 and name CG and not segid REF )   -0.1870 0.3000
;
   672   1   677   67   parsed_2k39   1   
        96   
;
assign ( resid 501 and name OO  )
       ( resid 501 and name Z   )
       ( resid 501 and name X   )
       ( resid 501 and name Y   )
       ( resid  46 and name CA and not segid REF )
       ( resid  46 and name CB and not segid REF )   1.0080 0.3000
;
   679   1   684   66   parsed_2k39   1   
    stop_

save_





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