NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type
518161 2l1a cing 2-parsed STAR dipolar coupling


data_2l1a_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2l1a 
    _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_2l1a   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2l1a 
    _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   2l1a   "Master copy"    parsed_2l1a   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2l1a 
    _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   2l1a.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"       0   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple             1119   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS      3    distance                  NOE                 ambi                256   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS      4    distance                  NOE                 simple             2638   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS      5    distance                  NOE                 ambi                462   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS      6    distance                  NOE                 simple              408   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS      7    distance                  NOE                 ambi                 51   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS      8    distance                  NOE                 simple              256   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS      9    distance                  NOE                 ambi                 68   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS     10    distance                 "hydrogen bond"      simple               34   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS     11   "dihedral angle"          "Not applicable"    "Not applicable"     145   parsed_2l1a   1   
        1   2l1a.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_2l1a   1   
        1   2l1a.mr   .   .   "MR format"    13   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2l1a   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_12
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2l1a 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            12 
    _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   7  and name N  )
       ( resid   7  and name HN  )   5.690   1.000
;
     3   1     4   50   parsed_2l1a   1   
          2   
;
assign ( resid   8  and name N  )
       ( resid   8  and name HN  )   1.190   1.000
;
     6   1     7   50   parsed_2l1a   1   
          3   
;
assign ( resid   9  and name N  )
       ( resid   9  and name HN  )   8.330   1.000
;
     9   1    10   50   parsed_2l1a   1   
          4   
;
assign ( resid  10  and name N  )
       ( resid  10  and name HN  ) -26.230   1.000
;
    12   1    13   50   parsed_2l1a   1   
          5   
;
assign ( resid  11  and name N  )
       ( resid  11  and name HN  ) -24.050   1.000
;
    15   1    16   50   parsed_2l1a   1   
          6   
;
assign ( resid  12  and name N  )
       ( resid  12  and name HN  ) -21.150   1.000
;
    18   1    19   50   parsed_2l1a   1   
          7   
;
assign ( resid  13  and name N  )
       ( resid  13  and name HN  ) -14.520   1.000
;
    21   1    22   50   parsed_2l1a   1   
          8   
;
assign ( resid  15  and name N  )
       ( resid  15  and name HN  )   5.020   1.000
;
    24   1    25   50   parsed_2l1a   1   
          9   
;
assign ( resid  34  and name N  )
       ( resid  34  and name HN  ) -11.000   1.000
;
    27   1    28   50   parsed_2l1a   1   
         10   
;
assign ( resid  35  and name N  )
       ( resid  35  and name HN  ) -17.870   1.000
;
    30   1    31   50   parsed_2l1a   1   
         11   
;
assign ( resid  36  and name N  )
       ( resid  36  and name HN  ) -16.890   1.000
;
    33   1    34   50   parsed_2l1a   1   
         12   
;
assign ( resid  37  and name N  )
       ( resid  37  and name HN  ) -29.710   1.000
;
    36   1    37   50   parsed_2l1a   1   
         13   
;
assign ( resid  38  and name N  )
       ( resid  38  and name HN  ) -27.280   1.000
;
    39   1    40   50   parsed_2l1a   1   
         14   
;
assign ( resid  39  and name N  )
       ( resid  39  and name HN  ) -17.310   1.000
;
    42   1    43   50   parsed_2l1a   1   
         15   
;
assign ( resid  40  and name N  )
       ( resid  40  and name HN  )  13.180   1.000
;
    45   1    46   50   parsed_2l1a   1   
         16   
;
assign ( resid  41  and name N  )
       ( resid  41  and name HN  )  24.250   1.000
;
    48   1    49   50   parsed_2l1a   1   
         17   
;
assign ( resid  42  and name N  )
       ( resid  42  and name HN  )  -0.380   1.000
;
    51   1    52   50   parsed_2l1a   1   
         18   
;
assign ( resid  43  and name N  )
       ( resid  43  and name HN  ) -17.570   1.000
;
    54   1    55   50   parsed_2l1a   1   
         19   
;
assign ( resid  44  and name N  )
       ( resid  44  and name HN  ) -27.560   1.000
;
    57   1    58   50   parsed_2l1a   1   
         20   
;
assign ( resid  45  and name N  )
       ( resid  45  and name HN  )  -5.990   1.000
;
    60   1    61   50   parsed_2l1a   1   
         21   
;
assign ( resid  46  and name N  )
       ( resid  46  and name HN  )   0.570   1.000
;
    63   1    64   50   parsed_2l1a   1   
         22   
;
assign ( resid  47  and name N  )
       ( resid  47  and name HN  )   8.040   1.000
;
    66   1    67   50   parsed_2l1a   1   
         23   
;
assign ( resid  48  and name N  )
       ( resid  48  and name HN  )  -6.980   1.000
;
    69   1    70   50   parsed_2l1a   1   
         24   
;
assign ( resid  49  and name N  )
       ( resid  49  and name HN  )   4.810   1.000
;
    72   1    73   50   parsed_2l1a   1   
         25   
;
assign ( resid  50  and name N  )
       ( resid  50  and name HN  )   9.540   1.000
;
    75   1    76   50   parsed_2l1a   1   
         26   
;
assign ( resid  51  and name N  )
       ( resid  51  and name HN  )   5.050   1.000
;
    78   1    79   50   parsed_2l1a   1   
         27   
;
assign ( resid  52  and name N  )
       ( resid  52  and name HN  )  -0.730   1.000
;
    81   1    82   50   parsed_2l1a   1   
         28   
;
assign ( resid  53  and name N  )
       ( resid  53  and name HN  )   5.700   1.000
;
    84   1    85   50   parsed_2l1a   1   
         29   
;
assign ( resid  54  and name N  )
       ( resid  54  and name HN  )  17.480   1.000
;
    87   1    88   50   parsed_2l1a   1   
         30   
;
assign ( resid  55  and name N  )
       ( resid  55  and name HN  )   2.350   1.000
;
    90   1    91   50   parsed_2l1a   1   
         31   
;
assign ( resid  56  and name N  )
       ( resid  56  and name HN  )   3.120   1.000
;
    93   1    94   50   parsed_2l1a   1   
         32   
;
assign ( resid  58  and name N  )
       ( resid  58  and name HN  )  31.940   1.000
;
    96   1    97   50   parsed_2l1a   1   
         33   
;
assign ( resid  60  and name N  )
       ( resid  60  and name HN  ) -26.380   1.000
;
    99   1   100   50   parsed_2l1a   1   
         34   
;
assign ( resid  61  and name N  )
       ( resid  61  and name HN  )  -3.040   1.000
;
   102   1   103   50   parsed_2l1a   1   
         35   
;
assign ( resid  62  and name N  )
       ( resid  62  and name HN  )  -4.570   1.000
;
   105   1   106   50   parsed_2l1a   1   
         36   
;
assign ( resid  63  and name N  )
       ( resid  63  and name HN  ) -30.110   1.000
;
   108   1   109   50   parsed_2l1a   1   
         37   
;
assign ( resid  64  and name N  )
       ( resid  64  and name HN  ) -21.850   1.000
;
   111   1   112   50   parsed_2l1a   1   
         38   
;
assign ( resid  65  and name N  )
       ( resid  65  and name HN  ) -22.170   1.000
;
   114   1   115   50   parsed_2l1a   1   
         39   
;
assign ( resid  66  and name N  )
       ( resid  66  and name HN  )  -9.350   1.000
;
   117   1   118   50   parsed_2l1a   1   
         40   
;
assign ( resid  67  and name N  )
       ( resid  67  and name HN  )  10.380   1.000
;
   120   1   121   50   parsed_2l1a   1   
         41   
;
assign ( resid  68  and name N  )
       ( resid  68  and name HN  )   6.000   1.000
;
   123   1   124   50   parsed_2l1a   1   
         42   
;
assign ( resid  69  and name N  )
       ( resid  69  and name HN  )  -4.520   1.000
;
   126   1   127   50   parsed_2l1a   1   
         43   
;
assign ( resid  70  and name N  )
       ( resid  70  and name HN  )  -2.140   1.000
;
   129   1   130   50   parsed_2l1a   1   
         44   
;
assign ( resid  72  and name N  )
       ( resid  72  and name HN  )  16.010   1.000
;
   132   1   133   50   parsed_2l1a   1   
         45   
;
assign ( resid  73  and name N  )
       ( resid  73  and name HN  )  -1.490   1.000
;
   135   1   136   50   parsed_2l1a   1   
         46   
;
assign ( resid  74  and name N  )
       ( resid  74  and name HN  )   6.660   1.000
;
   138   1   139   50   parsed_2l1a   1   
         47   
;
assign ( resid  75  and name N  )
       ( resid  75  and name HN  )   4.480   1.000
;
   141   1   142   50   parsed_2l1a   1   
         48   
;
assign ( resid  76  and name N  )
       ( resid  76  and name HN  )  -0.840   1.000
;
   144   1   145   50   parsed_2l1a   1   
         49   
;
assign ( resid  77  and name N  )
       ( resid  77  and name HN  )  -2.530   1.000
;
   147   1   148   50   parsed_2l1a   1   
         50   
;
assign ( resid  78  and name N  )
       ( resid  78  and name HN  ) -15.860   1.000
;
   150   1   151   50   parsed_2l1a   1   
         51   
;
assign ( resid  79  and name N  )
       ( resid  79  and name HN  ) -12.250   1.000
;
   153   1   154   50   parsed_2l1a   1   
         52   
;
assign ( resid  80  and name N  )
       ( resid  80  and name HN  )  -1.030   1.000
;
   156   1   157   50   parsed_2l1a   1   
         53   
;
assign ( resid  81  and name N  )
       ( resid  81  and name HN  ) -21.170   1.000
;
   159   1   160   50   parsed_2l1a   1   
         54   
;
assign ( resid  82  and name N  )
       ( resid  82  and name HN  ) -24.910   1.000
;
   162   1   163   50   parsed_2l1a   1   
         55   
;
assign ( resid  83  and name N  )
       ( resid  83  and name HN  )  14.030   1.000
;
   165   1   166   50   parsed_2l1a   1   
         56   
;
assign ( resid  85  and name N  )
       ( resid  85  and name HN  )  -2.020   1.000
;
   168   1   169   50   parsed_2l1a   1   
         57   
;
assign ( resid  86  and name N  )
       ( resid  86  and name HN  )  -8.280   1.000
;
   171   1   172   50   parsed_2l1a   1   
         58   
;
assign ( resid  87  and name N  )
       ( resid  87  and name HN  )  10.650   1.000
;
   174   1   175   50   parsed_2l1a   1   
         59   
;
assign ( resid  88  and name N  )
       ( resid  88  and name HN  )   4.250   1.000
;
   177   1   178   50   parsed_2l1a   1   
         60   
;
assign ( resid  89  and name N  )
       ( resid  89  and name HN  )  -4.010   1.000
;
   180   1   181   50   parsed_2l1a   1   
         61   
;
assign ( resid  90  and name N  )
       ( resid  90  and name HN  )   0.660   1.000
;
   183   1   184   50   parsed_2l1a   1   
         62   
;
assign ( resid  91  and name N  )
       ( resid  91  and name HN  )  10.420   1.000
;
   186   1   187   50   parsed_2l1a   1   
         63   
;
assign ( resid  92  and name N  )
       ( resid  92  and name HN  )  -2.760   1.000
;
   189   1   190   50   parsed_2l1a   1   
         64   
;
assign ( resid  93  and name N  )
       ( resid  93  and name HN  ) -11.330   1.000
;
   192   1   193   50   parsed_2l1a   1   
         65   
;
assign ( resid  94  and name N  )
       ( resid  94  and name HN  ) -13.390   1.000
;
   195   1   196   50   parsed_2l1a   1   
         66   
;
assign ( resid  95  and name N  )
       ( resid  95  and name HN  ) -17.080   1.000
;
   198   1   199   50   parsed_2l1a   1   
         67   
;
assign ( resid  96  and name N  )
       ( resid  96  and name HN  )  -7.380   1.000
;
   201   1   202   50   parsed_2l1a   1   
         68   
;
assign ( resid  97  and name N  )
       ( resid  97  and name HN  )   3.580   1.000
;
   204   1   205   50   parsed_2l1a   1   
         69   
;
assign ( resid  98  and name N  )
       ( resid  98  and name HN  )  12.180   1.000
;
   207   1   208   50   parsed_2l1a   1   
         70   
;
assign ( resid  99  and name N  )
       ( resid  99  and name HN  )  10.740   1.000
;
   210   1   211   50   parsed_2l1a   1   
         71   
;
assign ( resid 100  and name N  )
       ( resid 100  and name HN  ) -21.570   1.000
;
   213   1   214   50   parsed_2l1a   1   
         72   
;
assign ( resid  96  and name CA  )
       ( resid  96  and name HA  ) -10.060   5.000
;
   218   1   219   50   parsed_2l1a   1   
         73   
;
assign ( resid  77  and name CA  )
       ( resid  77  and name HA  )  -4.230   5.000
;
   221   1   222   50   parsed_2l1a   1   
         74   
;
assign ( resid   9  and name CA  )
       ( resid   9  and name HA  )  -9.880   5.000
;
   224   1   225   50   parsed_2l1a   1   
         75   
;
assign ( resid  13  and name CA  )
       ( resid  13  and name HA  )  -9.520   5.000
;
   227   1   228   50   parsed_2l1a   1   
         76   
;
assign ( resid  12  and name CA  )
       ( resid  12  and name HA  )  -9.930   5.000
;
   230   1   231   50   parsed_2l1a   1   
         77   
;
assign ( resid  99  and name CA  )
       ( resid  99  and name HA  )  -0.190   5.000
;
   233   1   234   50   parsed_2l1a   1   
         78   
;
assign ( resid  11  and name CA  )
       ( resid  11  and name HA  ) -24.140   5.000
;
   236   1   237   50   parsed_2l1a   1   
         79   
;
assign ( resid  37  and name CA  )
       ( resid  37  and name HA  ) -28.990   5.000
;
   239   1   240   50   parsed_2l1a   1   
         80   
;
assign ( resid  36  and name CA  )
       ( resid  36  and name HA  ) -20.020   5.000
;
   242   1   243   50   parsed_2l1a   1   
         81   
;
assign ( resid   8  and name CA  )
       ( resid   8  and name HA  )   9.080   5.000
;
   245   1   246   50   parsed_2l1a   1   
         82   
;
assign ( resid  38  and name CA  )
       ( resid  38  and name HA  ) -21.640   5.000
;
   248   1   249   50   parsed_2l1a   1   
         83   
;
assign ( resid  15  and name CA  )
       ( resid  15  and name HA  )   0.230   5.000
;
   251   1   252   50   parsed_2l1a   1   
         84   
;
assign ( resid  57  and name CA  )
       ( resid  57  and name HA  )  -7.000   5.000
;
   254   1   255   50   parsed_2l1a   1   
         85   
;
assign ( resid  81  and name CA  )
       ( resid  81  and name HA  ) -12.850   5.000
;
   257   1   258   50   parsed_2l1a   1   
         86   
;
assign ( resid  75  and name CA  )
       ( resid  75  and name HA  )  15.560   5.000
;
   260   1   261   50   parsed_2l1a   1   
         87   
;
assign ( resid  45  and name CA  )
       ( resid  45  and name HA  )  -9.270   5.000
;
   263   1   264   50   parsed_2l1a   1   
         88   
;
assign ( resid  74  and name CA  )
       ( resid  74  and name HA  ) -18.120   5.000
;
   266   1   267   50   parsed_2l1a   1   
         89   
;
assign ( resid  54  and name CA  )
       ( resid  54  and name HA  )  16.350   5.000
;
   269   1   270   50   parsed_2l1a   1   
         90   
;
assign ( resid  76  and name CA  )
       ( resid  76  and name HA  )  -2.070   5.000
;
   272   1   273   50   parsed_2l1a   1   
         91   
;
assign ( resid  68  and name CA  )
       ( resid  68  and name HA  )   1.090   5.000
;
   275   1   276   50   parsed_2l1a   1   
         92   
;
assign ( resid  94  and name CA  )
       ( resid  94  and name HA  )  -5.980   5.000
;
   278   1   279   50   parsed_2l1a   1   
         93   
;
assign ( resid  51  and name CA  )
       ( resid  51  and name HA  ) -27.750   5.000
;
   281   1   282   50   parsed_2l1a   1   
         94   
;
assign ( resid  89  and name CA  )
       ( resid  89  and name HA  ) -20.470   5.000
;
   284   1   285   50   parsed_2l1a   1   
         95   
;
assign ( resid   7  and name CA  )
       ( resid   7  and name HA  )   5.090   5.000
;
   287   1   288   50   parsed_2l1a   1   
         96   
;
assign ( resid  47  and name CA  )
       ( resid  47  and name HA  )   0.740   5.000
;
   290   1   291   50   parsed_2l1a   1   
         97   
;
assign ( resid  86  and name CA  )
       ( resid  86  and name HA  ) -20.370   5.000
;
   293   1   294   50   parsed_2l1a   1   
         98   
;
assign ( resid  49  and name CA  )
       ( resid  49  and name HA  ) -10.140   5.000
;
   296   1   297   50   parsed_2l1a   1   
         99   
;
assign ( resid  60  and name CA  )
       ( resid  60  and name HA  ) -23.710   5.000
;
   299   1   300   50   parsed_2l1a   1   
        100   
;
assign ( resid  35  and name CA  )
       ( resid  35  and name HA  )  -5.880   5.000
;
   302   1   303   50   parsed_2l1a   1   
        101   
;
assign ( resid  90  and name CA  )
       ( resid  90  and name HA  )  16.100   5.000
;
   305   1   306   50   parsed_2l1a   1   
        102   
;
assign ( resid  66  and name CA  )
       ( resid  66  and name HA  )  -3.470   5.000
;
   308   1   309   50   parsed_2l1a   1   
        103   
;
assign ( resid  46  and name CA  )
       ( resid  46  and name HA  )  11.360   5.000
;
   311   1   312   50   parsed_2l1a   1   
        104   
;
assign ( resid  78  and name CA  )
       ( resid  78  and name HA  )   0.240   5.000
;
   314   1   315   50   parsed_2l1a   1   
        105   
;
assign ( resid  42  and name CA  )
       ( resid  42  and name HA  )   1.570   5.000
;
   317   1   318   50   parsed_2l1a   1   
        106   
;
assign ( resid  87  and name CA  )
       ( resid  87  and name HA  )  22.130   5.000
;
   320   1   321   50   parsed_2l1a   1   
        107   
;
assign ( resid  88  and name CA  )
       ( resid  88  and name HA  )  -1.630   5.000
;
   323   1   324   50   parsed_2l1a   1   
        108   
;
assign ( resid  80  and name CA  )
       ( resid  80  and name HA  )  19.510   5.000
;
   326   1   327   50   parsed_2l1a   1   
        109   
;
assign ( resid  48  and name CA  )
       ( resid  48  and name HA  )  -4.490   5.000
;
   329   1   330   50   parsed_2l1a   1   
        110   
;
assign ( resid  61  and name CA  )
       ( resid  61  and name HA  )  17.830   5.000
;
   332   1   333   50   parsed_2l1a   1   
        111   
;
assign ( resid  59  and name CA  )
       ( resid  59  and name HA  ) -10.180   5.000
;
   335   1   336   50   parsed_2l1a   1   
        112   
;
assign ( resid  71  and name CA  )
       ( resid  71  and name HA  )  25.910   5.000
;
   338   1   339   50   parsed_2l1a   1   
        113   
;
assign ( resid  45  and name CA  )
       ( resid  45  and name HA  )   1.060   5.000
;
   341   1   342   50   parsed_2l1a   1   
        114   
;
assign ( resid  79  and name CA  )
       ( resid  79  and name HA  )   2.540   5.000
;
   344   1   345   50   parsed_2l1a   1   
        115   
;
assign ( resid  64  and name CA  )
       ( resid  64  and name HA  )  14.960   5.000
;
   347   1   348   50   parsed_2l1a   1   
        116   
;
assign ( resid  55  and name CA  )
       ( resid  55  and name HA  ) -22.630   5.000
;
   350   1   351   50   parsed_2l1a   1   
        117   
;
assign ( resid  39  and name CA  )
       ( resid  39  and name HA  ) -17.250   5.000
;
   353   1   354   50   parsed_2l1a   1   
        118   
;
assign ( resid  84  and name CA  )
       ( resid  84  and name HA  ) -11.430   5.000
;
   356   1   357   50   parsed_2l1a   1   
        119   
;
assign ( resid  73  and name CA  )
       ( resid  73  and name HA  ) -28.520   5.000
;
   359   1   360   50   parsed_2l1a   1   
        120   
;
assign ( resid  33  and name CA  )
       ( resid  33  and name HA  )  -4.460   5.000
;
   362   1   363   50   parsed_2l1a   1   
        121   
;
assign ( resid  53  and name CA  )
       ( resid  53  and name HA  )  -4.480   5.000
;
   365   1   366   50   parsed_2l1a   1   
        122   
;
assign ( resid  91  and name CA  )
       ( resid  91  and name HA  ) -13.020   5.000
;
   368   1   369   50   parsed_2l1a   1   
        123   
;
assign ( resid  63  and name CA  )
       ( resid  63  and name HA  ) -11.890   5.000
;
   371   1   372   50   parsed_2l1a   1   
        124   
;
assign ( resid  94  and name CA  )
       ( resid  94  and name HA  )   7.570   5.000
;
   374   1   375   50   parsed_2l1a   1   
        125   
;
assign ( resid  82  and name CA  )
       ( resid  82  and name HA  )  -1.000   5.000
;
   377   1   378   50   parsed_2l1a   1   
        126   
;
assign ( resid  72  and name CA  )
       ( resid  72  and name HA  )  13.990   5.000
;
   380   1   381   50   parsed_2l1a   1   
        127   
;
assign ( resid  40  and name CA  )
       ( resid  40  and name HA  ) -13.340   5.000
;
   383   1   384   50   parsed_2l1a   1   
        128   
;
assign ( resid   7  and name CA  )
       ( resid   7  and name CB  ) -40.450   5.000
;
   388   1   389   50   parsed_2l1a   1   
        129   
;
assign ( resid   8  and name CA  )
       ( resid   8  and name CB  ) -21.800   5.000
;
   391   1   392   50   parsed_2l1a   1   
        130   
;
assign ( resid  13  and name CA  )
       ( resid  13  and name CB  )  -4.500   5.000
;
   394   1   395   50   parsed_2l1a   1   
        131   
;
assign ( resid  15  and name CA  )
       ( resid  15  and name CB  ) -10.550   5.000
;
   397   1   398   50   parsed_2l1a   1   
        132   
;
assign ( resid  16  and name CA  )
       ( resid  16  and name CB  ) -18.760   5.000
;
   400   1   401   50   parsed_2l1a   1   
        133   
;
assign ( resid  33  and name CA  )
       ( resid  33  and name CB  ) -16.750   5.000
;
   403   1   404   50   parsed_2l1a   1   
        134   
;
assign ( resid  38  and name CA  )
       ( resid  38  and name CB  ) -25.050   5.000
;
   406   1   407   50   parsed_2l1a   1   
        135   
;
assign ( resid  42  and name CA  )
       ( resid  42  and name CB  )  16.440   5.000
;
   409   1   410   50   parsed_2l1a   1   
        136   
;
assign ( resid  45  and name CA  )
       ( resid  45  and name CB  )  -7.320   5.000
;
   412   1   413   50   parsed_2l1a   1   
        137   
;
assign ( resid  49  and name CA  )
       ( resid  49  and name CB  )  -1.360   5.000
;
   415   1   416   50   parsed_2l1a   1   
        138   
;
assign ( resid  54  and name CA  )
       ( resid  54  and name CB  )   5.300   5.000
;
   418   1   419   50   parsed_2l1a   1   
        139   
;
assign ( resid  55  and name CA  )
       ( resid  55  and name CB  )  16.200   5.000
;
   421   1   422   50   parsed_2l1a   1   
        140   
;
assign ( resid  60  and name CA  )
       ( resid  60  and name CB  )  15.750   5.000
;
   424   1   425   50   parsed_2l1a   1   
        141   
;
assign ( resid  63  and name CA  )
       ( resid  63  and name CB  )  -4.110   5.000
;
   427   1   428   50   parsed_2l1a   1   
        142   
;
assign ( resid  64  and name CA  )
       ( resid  64  and name CB  )  12.590   5.000
;
   430   1   431   50   parsed_2l1a   1   
        143   
;
assign ( resid  65  and name CA  )
       ( resid  65  and name CB  )  34.070   5.000
;
   433   1   434   50   parsed_2l1a   1   
        144   
;
assign ( resid  72  and name CA  )
       ( resid  72  and name CB  )  17.250   5.000
;
   436   1   437   50   parsed_2l1a   1   
        145   
;
assign ( resid  73  and name CA  )
       ( resid  73  and name CB  )  24.920   5.000
;
   439   1   440   50   parsed_2l1a   1   
        146   
;
assign ( resid  78  and name CA  )
       ( resid  78  and name CB  )  -2.000   5.000
;
   442   1   443   50   parsed_2l1a   1   
        147   
;
assign ( resid  82  and name CA  )
       ( resid  82  and name CB  )  -9.200   5.000
;
   445   1   446   50   parsed_2l1a   1   
        148   
;
assign ( resid  88  and name CA  )
       ( resid  88  and name CB  )  28.550   5.000
;
   448   1   449   50   parsed_2l1a   1   
        149   
;
assign ( resid  89  and name CA  )
       ( resid  89  and name CB  )   1.090   5.000
;
   451   1   452   50   parsed_2l1a   1   
        150   
;
assign ( resid  92  and name CA  )
       ( resid  92  and name CB  ) -10.550   5.000
;
   454   1   455   50   parsed_2l1a   1   
        151   
;
assign ( resid  94  and name CA  )
       ( resid  94  and name CB  )  34.150   5.000
;
   457   1   458   50   parsed_2l1a   1   
    stop_

save_





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