NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
30225 1c34 4372 cing 2-parsed STAR distance NOE simple


data_1c34_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1c34 
    _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_1c34   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1c34 
    _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   1c34   "Master copy"    parsed_1c34   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1c34 
    _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   1c34.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1c34   1   
        1   1c34.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_1c34   1   
        1   1c34.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1c34   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1c34 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

          1   
;
assign (resid= 1 and segid="AP1" and name=H8  )
       (resid= 1 and segid="AP1" and name=H1' )
   3.150                  6.710              
!assign (resid= 1 and segid="AP1" and name=H8  )
!       (resid= 1 and segid="AP1" and name=H2'')
!   0.000                  1.170              
!assign (resid= 1 and segid="AP1" and name=H8  )
!       (resid= 1 and segid="AP1" and name=H2' )
!   0.000                  1.370              
;
     1   1     9   46   parsed_1c34   1   
          2   
;
assign (resid= 1 and segid="AP1" and name=H8  )
       (resid= 1 and segid="AP1" and name=H3' )
   0.000                  0.570              
;
    10   1    12   45   parsed_1c34   1   
          3   
;
assign (resid= 1 and segid="AP1" and name=H8  )
       (resid= 1 and segid="AP1" and name=H4' )
   0.000                  1.530              
!assign (resid= 1 and segid="AP1" and name=H1' )
!       (resid= 1 and segid="AP1" and name=H2' )
!   1.500                  12.500              
!assign (resid= 1 and segid="AP1" and name=H1' )
!       (resid= 1 and segid="AP1" and name=H2'')
!   1.500                  12.500              
!assign (resid= 1 and segid="AP1" and name=H3' )
!       (resid= 1 and segid="AP1" and name=H2' )
!   0.000                  0.000              
!assign (resid= 1 and segid="AP1" and name=H3' )
!       (resid= 1 and segid="AP1" and name=H2'')
!   0.000                  0.000              
;
    13   1    27   46   parsed_1c34   1   
          4   
;
assign (resid= 2 and segid="AP1" and name=H8  )
       (resid= 2 and segid="AP1" and name=H1' )
   0.360                  1.400              
;
    28   1    30   45   parsed_1c34   1   
          5   
;
assign (resid= 2 and segid="AP1" and name=H8  )
       (resid= 2 and segid="AP1" and name=H2'')
   0.970                 14.070              
;
    31   1    33   45   parsed_1c34   1   
          6   
;
assign (resid= 2 and segid="AP1" and name=H8  )
       (resid= 2 and segid="AP1" and name=H2' )
   9.390                  6.110              
;
    34   1    36   45   parsed_1c34   1   
          7   
;
assign (resid= 2 and segid="AP1" and name=H8  )
       (resid= 2 and segid="AP1" and name=H3' )
   0.000                  0.560            
;
    37   1    39   43   parsed_1c34   1   
          8   
;
assign (resid= 2 and segid="AP1" and name=H8  )
       (resid= 2 and segid="AP1" and name=H4' )
   0.000                  1.530            
;
    40   1    42   43   parsed_1c34   1   
          9   
;
assign (resid= 2 and segid="AP1" and name=H1' )
       (resid= 2 and segid="AP1" and name=H2'')
   4.070                 19.020              
;
    43   1    45   45   parsed_1c34   1   
         10   
;
assign (resid= 2 and segid="AP1" and name=H1' )
       (resid= 2 and segid="AP1" and name=H2' )
  26.240                  4.860              
;
    46   1    48   45   parsed_1c34   1   
         11   
;
assign (resid= 2 and segid="AP1" and name=H3' )
       (resid= 2 and segid="AP1" and name=H2' )
   4.880                 23.330              
;
    49   1    51   45   parsed_1c34   1   
         12   
;
assign (resid= 2 and segid="AP1" and name=H3' )
       (resid= 2 and segid="AP1" and name=H2'')
   3.010                 16.690              
!assign (resid= 2 and segid="AP1" and name=H8  )
!       (resid= 1 and segid="AP1" and name=H2' )
!   4.060                 4.250             
!assign (resid= 2 and segid="AP1" and name=H8  )
!       (resid= 1 and segid="AP1" and name=H2'')
!   0.060                 4.250             
;
    52   1    60   44   parsed_1c34   1   
         13   
;
assign (resid= 2 and segid="AP1" and name=H1' )
       (resid= 4 and segid="AP1" and name=H5+ )
   1.810                 0.000              
;
    61   1    63   44   parsed_1c34   1   
         14   
;
assign (resid= 2 and segid="AP1" and name=H8  )
       (resid= 4 and segid="AP1" and name=H6  )
   0.000                 0.461              
;
    64   1    66   44   parsed_1c34   1   
         15   
;
assign (resid= 3 and segid="AP1" and name=H6  )
       (resid= 3 and segid="AP1" and name=H1' )
   1.340                 5.090            
;
    67   1    69   42   parsed_1c34   1   
         16   
;
assign (resid= 3 and segid="AP1" and name=H6  )
       (resid= 3 and segid="AP1" and name=H2'')
   1.760                 8.660            
;
    70   1    72   42   parsed_1c34   1   
         17   
;
assign (resid= 3 and segid="AP1" and name=H6  )
       (resid= 3 and segid="AP1" and name=H2' )
   1.760                 8.220            
;
    73   1    75   42   parsed_1c34   1   
         18   
;
assign (resid= 3 and segid="AP1" and name=H6  )
       (resid= 3 and segid="AP1" and name=H3' )
   0.935                 1.500            
;
    76   1    78   42   parsed_1c34   1   
         19   
;
assign (resid= 3 and segid="AP1" and name=H6  )
       (resid= 3 and segid="AP1" and name=H4' )
   1.275                 1.400            
;
    79   1    81   42   parsed_1c34   1   
         20   
;
assign (resid= 3 and segid="AP1" and name=H6  )
       (resid= 3 and segid="AP1" and name=H5+ )
   7.070                21.500            
;
    82   1    84   42   parsed_1c34   1   
         21   
;
assign (resid= 3 and segid="AP1" and name=H1' )
       (resid= 3 and segid="AP1" and name=H2'')
   2.200                10.350            
;
    85   1    87   42   parsed_1c34   1   
         22   
;
assign (resid= 3 and segid="AP1" and name=H1' )
       (resid= 3 and segid="AP1" and name=H2' )
   3.350                 5.800            
;
    88   1    90   42   parsed_1c34   1   
         23   
;
assign (resid= 3 and segid="AP1" and name=H1' )
       (resid= 3 and segid="AP1" and name=H5+)
   6.400                 4.400            
;
    91   1    93   42   parsed_1c34   1   
         24   
;
assign (resid= 3 and segid="AP1" and name=H3' )
       (resid= 3 and segid="AP1" and name=H2'')
   5.450                 8.150            
;
    94   1    96   42   parsed_1c34   1   
         25   
;
assign (resid= 3 and segid="AP1" and name=H3' )
       (resid= 3 and segid="AP1" and name=H2' )
   2.510                 1.790            
;
    97   1    99   42   parsed_1c34   1   
         26   
;
assign (resid= 3 and segid="AP1" and name=H6  )
       (resid= 2 and segid="AP1" and name=H1' )
   0.730                 1.793              
;
   100   1   102   44   parsed_1c34   1   
         27   
;
assign (resid= 3 and segid="AP1" and name=H6  )
       (resid= 2 and segid="AP1" and name=H4' )
   1.850                 4.788              
;
   103   1   105   44   parsed_1c34   1   
         28   
;
assign (resid= 4 and segid="AP1" and name=H6  )
       (resid= 4 and segid="AP1" and name=H1' )
   0.690                 1.810            
;
   106   1   108   42   parsed_1c34   1   
         29   
;
assign (resid= 4 and segid="AP1" and name=H6  )
       (resid= 4 and segid="AP1" and name=H2' )
   5.080                10.210              
;
   109   1   111   44   parsed_1c34   1   
         30   
;
assign (resid= 4 and segid="AP1" and name=H6  )
       (resid= 4 and segid="AP1" and name=H2'')
   0.690                 6.560              
;
   112   1   114   44   parsed_1c34   1   
         31   
;
assign (resid= 4 and segid="AP1" and name=H6  )
       (resid= 4 and segid="AP1" and name=H3' )
   0.000                 1.100              
;
   115   1   117   44   parsed_1c34   1   
         32   
;
assign (resid= 4 and segid="AP1" and name=H6  )
       (resid= 4 and segid="AP1" and name=H4' )
   0.278                 1.320              
;
   118   1   120   44   parsed_1c34   1   
         33   
;
assign (resid= 4 and segid="AP1" and name=H6  )
       (resid= 4 and segid="AP1" and name=H5+ )
   4.330                14.860              
;
   121   1   123   44   parsed_1c34   1   
         34   
;
assign (resid= 4 and segid="AP1" and name=H1' )
       (resid= 4 and segid="AP1" and name=H2' )
   5.360                 6.610              
;
   124   1   126   44   parsed_1c34   1   
         35   
;
assign (resid= 4 and segid="AP1" and name=H1' )
       (resid= 4 and segid="AP1" and name=H2'')
  11.730                16.290              
;
   127   1   129   44   parsed_1c34   1   
         36   
;
assign (resid= 4 and segid="AP1" and name=H1' )
       (resid= 4 and segid="AP1" and name=H5+ )
   6.400                 3.490            
;
   130   1   132   42   parsed_1c34   1   
         37   
;
assign (resid= 4 and segid="AP1" and name=H3' )
       (resid= 4 and segid="AP1" and name=H2' )
   1.120                11.530            
;
   133   1   135   42   parsed_1c34   1   
         38   
;
assign (resid= 4 and segid="AP1" and name=H3' )
       (resid= 4 and segid="AP1" and name=H2'')
   2.340                10.960            
;
   136   1   138   42   parsed_1c34   1   
         39   
;
assign (resid= 4 and segid="AP1" and name=H6  )
       (resid= 2 and segid="AP1" and name=H8  )
   0.211                 0.402            
;
   139   1   141   42   parsed_1c34   1   
         40   
;
assign (resid= 5 and segid="AP1" and name=H8  )
       (resid= 5 and segid="AP1" and name=H1' )
   7.090                  18.790            
;
   142   1   144   44   parsed_1c34   1   
         41   
;
assign (resid= 5 and segid="AP1" and name=H8  )
       (resid= 5 and segid="AP1" and name=H2'')
   0.746                   0.620              
;
   145   1   147   46   parsed_1c34   1   
         42   
;
assign (resid= 5 and segid="AP1" and name=H8  )
       (resid= 5 and segid="AP1" and name=H2' )
   0.746                   3.820              
;
   148   1   150   46   parsed_1c34   1   
         43   
;
assign (resid= 5 and segid="AP1" and name=H8  )
       (resid= 5 and segid="AP1" and name=H3' )
   0.000                   1.340            
;
   151   1   153   44   parsed_1c34   1   
         44   
;
assign (resid= 5 and segid="AP1" and name=H8  )
       (resid= 5 and segid="AP1" and name=H4' )
   0.000                   1.570            
;
   154   1   156   44   parsed_1c34   1   
         45   
;
assign (resid= 5 and segid="AP1" and name=H1' )
       (resid= 5 and segid="AP1" and name=H2' )
  14.250                 4.460            
;
   157   1   159   42   parsed_1c34   1   
         46   
;
assign (resid= 5 and segid="AP1" and name=H1' )
       (resid= 5 and segid="AP1" and name=H2'')
  14.250                 5.460            
;
   160   1   162   42   parsed_1c34   1   
         47   
;
assign (resid= 5 and segid="AP1" and name=H3' )
       (resid= 5 and segid="AP1" and name=H2' )
   1.810                 6.270              
;
   163   1   165   44   parsed_1c34   1   
         48   
;
assign (resid= 5 and segid="AP1" and name=H3' )
       (resid= 5 and segid="AP1" and name=H2'')
   1.810                 5.730            
;
   166   1   168   42   parsed_1c34   1   
         49   
;
assign (resid= 5 and segid="AP1" and name=H8  )
       (resid= 6 and segid="AP1" and name=H1' )
   0.507                 0.142            
;
   169   1   171   42   parsed_1c34   1   
         50   
;
assign (resid= 5 and segid="AP1" and name=H8  )
       (resid= 6 and segid="AP1" and name=H8  )
   0.662                 0.999            
;
   172   1   174   42   parsed_1c34   1   
         51   
;
assign (resid= 5 and segid="AP1" and name=H3' )
       (resid= 6 and segid="AP1" and name=H2' )
   3.860                29.240            
;
   175   1   177   42   parsed_1c34   1   
         52   
;
assign (resid= 5 and segid="AP1" and name=H3' )
       (resid= 6 and segid="AP1" and name=H2'')
   0.181                 9.000            
;
   178   1   180   42   parsed_1c34   1   
         53   
;
assign (resid= 5 and segid="AP1" and name=H8  )
       (resid= 6 and segid="AP1" and name=H4' )
   0.762                 3.770            
;
   181   1   183   42   parsed_1c34   1   
         54   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 6 and segid="AP1" and name=H1' )
   0.550                 1.830            
;
   184   1   186   42   parsed_1c34   1   
         55   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 6 and segid="AP1" and name=H2'')
   0.700                 9.710              
;
   187   1   189   44   parsed_1c34   1   
         56   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 6 and segid="AP1" and name=H2' )
   6.460                12.690            
;
   190   1   192   42   parsed_1c34   1   
         57   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 6 and segid="AP1" and name=H3' )
   0.000                 1.340            
;
   193   1   195   42   parsed_1c34   1   
         58   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 6 and segid="AP1" and name=H4' )
   0.000                 0.670            
;
   196   1   198   42   parsed_1c34   1   
         59   
;
assign (resid= 6 and segid="AP1" and name=H1' )
       (resid= 6 and segid="AP1" and name=H2' )
   5.540                 6.180            
;
   199   1   201   42   parsed_1c34   1   
         60   
;
assign (resid= 6 and segid="AP1" and name=H1' )
       (resid= 6 and segid="AP1" and name=H2'')
   8.890                 8.160            
;
   202   1   204   42   parsed_1c34   1   
         61   
;
assign (resid= 6 and segid="AP1" and name=H3' )
       (resid= 6 and segid="AP1" and name=H2'')
   3.910                10.570            
;
   205   1   207   42   parsed_1c34   1   
         62   
;
assign (resid= 6 and segid="AP1" and name=H3' )
       (resid= 5 and segid="AP1" and name=H2' )
   4.600                 8.690            
;
   208   1   210   42   parsed_1c34   1   
         63   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 5 and segid="AP1" and name=H1' )
   0.515                 0.983            
;
   211   1   213   42   parsed_1c34   1   
         64   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid=10 and segid="AP1" and name=H2' )
   3.420                 5.851            
;
   214   1   216   42   parsed_1c34   1   
         65   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 5 and segid="AP1" and name=H2' )
   0.087                 5.180            
;
   217   1   219   42   parsed_1c34   1   
         66   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 5 and segid="AP1" and name=H4' )
   0.469                 1.745            
;
   220   1   222   42   parsed_1c34   1   
         67   
;
assign (resid= 6 and segid="AP1" and name=H8  )
       (resid= 7 and segid="AP1" and name=H3' )
   0.222                 0.974            
;
   223   1   225   42   parsed_1c34   1   
         68   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 7 and segid="AP1" and name=H1' )
   1.120                 3.090            
;
   226   1   228   42   parsed_1c34   1   
         69   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 7 and segid="AP1" and name=H2'')
   4.530                21.350              
;
   229   1   231   44   parsed_1c34   1   
         70   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 7 and segid="AP1" and name=H2' )
   8.330                23.800            
;
   232   1   234   42   parsed_1c34   1   
         71   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 7 and segid="AP1" and name=H3' )
   0.390                 1.540            
;
   235   1   237   42   parsed_1c34   1   
         72   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 6 and segid="AP1" and name=H4' )
   0.000                 1.190            
;
   238   1   240   42   parsed_1c34   1   
         73   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 7 and segid="AP1" and name=H5+ )
   4.266                18.730            
;
   241   1   243   42   parsed_1c34   1   
         74   
;
assign (resid= 7 and segid="AP1" and name=H1' )
       (resid= 7 and segid="AP1" and name=H2'')
   4.874                12.590            
;
   244   1   246   42   parsed_1c34   1   
         75   
;
assign (resid= 7 and segid="AP1" and name=H1' )
       (resid= 7 and segid="AP1" and name=H2' )
   0.740                 8.120            
;
   247   1   249   42   parsed_1c34   1   
         76   
;
assign (resid= 7 and segid="AP1" and name=H3' )
       (resid= 7 and segid="AP1" and name=H2'')
  10.860                 9.000            
;
   250   1   252   42   parsed_1c34   1   
         77   
;
assign (resid= 7 and segid="AP1" and name=H3' )
       (resid= 7 and segid="AP1" and name=H2' )
  12.110                24.660            
;
   253   1   255   42   parsed_1c34   1   
         78   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 6 and segid="AP1" and name=H1' )
   0.390                 1.470            
;
   256   1   258   42   parsed_1c34   1   
         79   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 6 and segid="AP1" and name=H4' )
   0.331                 0.128            
;
   259   1   261   42   parsed_1c34   1   
         80   
;
assign (resid= 7 and segid="AP1" and name=H3' )
       (resid= 6 and segid="AP1" and name=H2'')
   0.225                 9.000            
;
   262   1   264   42   parsed_1c34   1   
         81   
;
assign (resid= 7 and segid="AP1" and name=H6  )
       (resid= 8 and segid="AP1" and name=H3' )
   0.034                 0.134            
;
   265   1   267   42   parsed_1c34   1   
         82   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 8 and segid="AP1" and name=H1' )
   0.302                 1.070            
;
   268   1   270   42   parsed_1c34   1   
         83   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 8 and segid="AP1" and name=H2' )
   2.830                 6.760            
;
   271   1   273   42   parsed_1c34   1   
         84   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 8 and segid="AP1" and name=H2'')
   1.616                 4.210            
;
   274   1   276   42   parsed_1c34   1   
         85   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 8 and segid="AP1" and name=H3' )
   0.095                 3.770            
;
   277   1   279   42   parsed_1c34   1   
         86   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 8 and segid="AP1" and name=H4' )
   0.095                 0.803            
;
   280   1   282   42   parsed_1c34   1   
         87   
;
assign (resid= 8 and segid="AP1" and name=H1' )
       (resid= 8 and segid="AP1" and name=H2'')
   4.850                 6.010            
;
   283   1   285   42   parsed_1c34   1   
         88   
;
assign (resid= 8 and segid="AP1" and name=H1' )
       (resid= 8 and segid="AP1" and name=H2' )
   2.455                 2.830            
;
   286   1   288   42   parsed_1c34   1   
         89   
;
assign (resid= 8 and segid="AP1" and name=H3' )
       (resid= 8 and segid="AP1" and name=H2' )
   6.697                14.900            
;
   289   1   291   42   parsed_1c34   1   
         90   
;
assign (resid= 8 and segid="AP1" and name=H3' )
       (resid= 8 and segid="AP1" and name=H2'')
   6.630                18.900            
;
   292   1   294   42   parsed_1c34   1   
         91   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 9 and segid="AP1" and name=H1' )
   0.507                 1.360            
;
   295   1   297   42   parsed_1c34   1   
         92   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 9 and segid="AP1" and name=H2'')
   0.637                 1.023            
;
   298   1   300   42   parsed_1c34   1   
         93   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 7 and segid="AP1" and name=H3' )
   0.007                 0.770            
;
   301   1   303   42   parsed_1c34   1   
         94   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 9 and segid="AP1" and name=H4' )
   0.252                 2.790            
;
   304   1   306   42   parsed_1c34   1   
         95   
;
assign (resid= 8 and segid="AP1" and name=H8  )
       (resid= 7 and segid="AP1" and name=H2'')
   0.000                 3.760            
;
   307   1   309   42   parsed_1c34   1   
         96   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 9 and segid="AP1" and name=H2'')
   0.780                 2.490            
;
   310   1   312   42   parsed_1c34   1   
         97   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 9 and segid="AP1" and name=H2' )
   2.900                 7.640            
;
   313   1   315   42   parsed_1c34   1   
         98   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 9 and segid="AP1" and name=H3' )
   0.000                 0.860            
;
   316   1   318   42   parsed_1c34   1   
         99   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 9 and segid="AP1" and name=H1' )
   0.610                 1.700            
;
   319   1   321   42   parsed_1c34   1   
        100   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 9 and segid="AP1" and name=H4' )
   0.650                 0.990            
;
   322   1   324   42   parsed_1c34   1   
        101   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 9 and segid="AP1" and name=H5+ )
   5.180                16.510            
;
   325   1   327   42   parsed_1c34   1   
        102   
;
assign (resid= 9 and segid="AP1" and name=H1' )
       (resid= 9 and segid="AP1" and name=H2'')
   8.770                 9.680            
;
   328   1   330   42   parsed_1c34   1   
        103   
;
assign (resid= 9 and segid="AP1" and name=H1' )
       (resid= 9 and segid="AP1" and name=H2' )
   2.390                 6.210            
;
   331   1   333   42   parsed_1c34   1   
        104   
;
assign (resid= 9 and segid="AP1" and name=H1' )
       (resid= 9 and segid="AP1" and name=H5+ )
   3.590                 5.880            
;
   334   1   336   42   parsed_1c34   1   
        105   
;
assign (resid= 9 and segid="AP1" and name=H3' )
       (resid= 9 and segid="AP1" and name=H2' )
   4.460                13.080            
;
   337   1   339   42   parsed_1c34   1   
        106   
;
assign (resid= 9 and segid="AP1" and name=H3' )
       (resid= 9 and segid="AP1" and name=H2'')
   8.770                 9.180              
;
   340   1   342   44   parsed_1c34   1   
        107   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 8 and segid="AP1" and name=H1' )
   0.537                 3.340            
;
   343   1   345   42   parsed_1c34   1   
        108   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid=15 and segid="AP1" and name=H1' )
   0.229                 0.984            
;
   346   1   348   42   parsed_1c34   1   
        109   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid=15 and segid="AP1" and name=H8  )
   1.521                 1.757            
;
   349   1   351   42   parsed_1c34   1   
        110   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 8 and segid="AP1" and name=H3' )
   0.358                 1.410            
;
   352   1   354   42   parsed_1c34   1   
        111   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 8 and segid="AP1" and name=H1' )
   0.004                 0.408            
;
   355   1   357   42   parsed_1c34   1   
        112   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid= 8 and segid="AP1" and name=H4' )
   0.960                 1.877            
;
   358   1   360   42   parsed_1c34   1   
        113   
;
assign (resid= 9 and segid="AP1" and name=H6  )
       (resid=11 and segid="AP1" and name=H2' )
   0.072                 0.828            
;
   361   1   363   42   parsed_1c34   1   
        114   
;
assign (resid=10 and segid="AP1" and name=H8  )
       (resid=10 and segid="AP1" and name=H1' )
   7.090                18.790            
;
   364   1   366   42   parsed_1c34   1   
        115   
;
assign (resid=10 and segid="AP1" and name=H8  )
       (resid=10 and segid="AP1" and name=H2' )
   0.000                 3.820              
;
   367   1   369   44   parsed_1c34   1   
        116   
;
assign (resid=10 and segid="AP1" and name=H8  )
       (resid=10 and segid="AP1" and name=H2'')
   0.746                 3.820              
;
   370   1   372   44   parsed_1c34   1   
        117   
;
assign (resid=10 and segid="AP1" and name=H8  )
       (resid=10 and segid="AP1" and name=H3' )
   0.000                 0.190            
;
   373   1   375   42   parsed_1c34   1   
        118   
;
assign (resid=10 and segid="AP1" and name=H8  )
       (resid=10 and segid="AP1" and name=H4' )
   0.000                 2.570            
;
   376   1   378   42   parsed_1c34   1   
        119   
;
assign (resid=10 and segid="AP1" and name=H1  )
       (resid=10 and segid="AP1" and name=H2'')
  14.250                18.700            
;
   379   1   381   42   parsed_1c34   1   
        120   
;
assign (resid=10 and segid="AP1" and name=H1' )
       (resid=10 and segid="AP1" and name=H2' )
  14.250                25.500            
;
   382   1   384   42   parsed_1c34   1   
        121   
;
assign (resid=10 and segid="AP1" and name=H3' )
       (resid=10 and segid="AP1" and name=H2' )
   4.360                10.570              
;
   385   1   387   44   parsed_1c34   1   
        122   
;
assign (resid=10 and segid="AP1" and name=H1' )
       (resid=10 and segid="AP1" and name=H2'')
   2.360                10.570              
;
   388   1   390   44   parsed_1c34   1   
        123   
;
assign (resid=10 and segid="AP1" and name=H3' )
       (resid=11 and segid="AP1" and name=H2' )
   0.389                 5.260            
;
   391   1   393   42   parsed_1c34   1   
        124   
;
assign (resid=10 and segid="AP1" and name=H3' )
       (resid= 6 and segid="AP1" and name=H2' )
   0.953                 6.660            
;
   394   1   396   42   parsed_1c34   1   
        125   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid=11 and segid="AP1" and name=H1' )
   0.360                 0.860            
;
   397   1   399   42   parsed_1c34   1   
        126   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid=11 and segid="AP1" and name=H2'')
   0.680                 3.730            
;
   400   1   402   42   parsed_1c34   1   
        127   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid=11 and segid="AP1" and name=H2' )
   8.460                 8.440            
;
   403   1   405   42   parsed_1c34   1   
        128   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid=11 and segid="AP1" and name=H3' )
   0.000                 0.400            
;
   406   1   408   42   parsed_1c34   1   
        129   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid=11 and segid="AP1" and name=H4' )
   0.000                 0.100              
;
   409   1   411   44   parsed_1c34   1   
        130   
;
assign (resid=11 and segid="AP1" and name=H1' )
       (resid=11 and segid="AP1" and name=H2' )
   5.540                 6.180              
;
   412   1   414   44   parsed_1c34   1   
        131   
;
assign (resid=11 and segid="AP1" and name=H1' )
       (resid=11 and segid="AP1" and name=H2'')
   8.890                 5.330            
;
   415   1   417   42   parsed_1c34   1   
        132   
;
assign (resid=11 and segid="AP1" and name=H3' )
       (resid=11 and segid="AP1" and name=H2' )
   6.380                 5.730            
;
   418   1   420   42   parsed_1c34   1   
        133   
;
assign (resid=11 and segid="AP1" and name=H3' )
       (resid=11 and segid="AP1" and name=H2'')
   0.301                 5.730            
;
   421   1   423   42   parsed_1c34   1   
        134   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid=12 and segid="AP1" and name=H5+ )
   0.132                 1.533            
;
   424   1   426   42   parsed_1c34   1   
        135   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid= 7 and segid="AP1" and name=H2' )
   0.000                 1.178            
;
   427   1   429   42   parsed_1c34   1   
        136   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid= 9 and segid="AP1" and name=H2' )
   0.000                   1.500              
;
   430   1   432   46   parsed_1c34   1   
        137   
;
assign (resid=11 and segid="AP1" and name=H8  )
       (resid=14 and segid="AP1" and name=H2' )
   0.124                   4.220              
;
   433   1   435   46   parsed_1c34   1   
        138   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=12 and segid="AP1" and name=H1' )
   1.340                   5.090              
;
   436   1   438   46   parsed_1c34   1   
        139   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=12 and segid="AP1" and name=H2'')
   1.760                   8.220              
;
   439   1   441   46   parsed_1c34   1   
        140   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=12 and segid="AP1" and name=H2' )
   1.760                   8.660              
;
   442   1   444   46   parsed_1c34   1   
        141   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=12 and segid="AP1" and name=H3' )
   0.935                   1.500              
;
   445   1   447   46   parsed_1c34   1   
        142   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=12 and segid="AP1" and name=H4' )
   7.070                  21.500              
;
   448   1   450   46   parsed_1c34   1   
        143   
;
assign (resid=12 and segid="AP1" and name=H1' )
       (resid=12 and segid="AP1" and name=H2' )
   6.350                   5.580              
;
   451   1   453   46   parsed_1c34   1   
        144   
;
assign (resid=12 and segid="AP1" and name=H1' )
       (resid=12 and segid="AP1" and name=H2'')
   2.200                  10.350              
;
   454   1   456   46   parsed_1c34   1   
        145   
;
assign (resid=12 and segid="AP1" and name=H1' )
       (resid=12 and segid="AP1" and name=H5+ )
   6.400                   4.400              
;
   457   1   459   46   parsed_1c34   1   
        146   
;
assign (resid=12 and segid="AP1" and name=H3' )
       (resid=12 and segid="AP1" and name=H2' )
   1.120                   1.790              
;
   460   1   462   46   parsed_1c34   1   
        147   
;
assign (resid=12 and segid="AP1" and name=H3' )
       (resid=12 and segid="AP1" and name=H2'')
   5.450                   8.150              
;
   463   1   465   46   parsed_1c34   1   
        148   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=11 and segid="AP1" and name=H2'')
   2.710                   3.460              
;
   466   1   468   46   parsed_1c34   1   
        149   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=13 and segid="AP1" and name=H4' )
   1.690                   3.961              
;
   469   1   471   46   parsed_1c34   1   
        150   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=11 and segid="AP1" and name=H3' )
   0.362                   0.998              
;
   472   1   474   46   parsed_1c34   1   
        151   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=13 and segid="AP1" and name=H3' )
   0.138                   0.893              
;
   475   1   477   46   parsed_1c34   1   
        152   
;
assign (resid=12 and segid="AP1" and name=H6  )
       (resid=15 and segid="AP1" and name=H8  )
   0.200                   0.321              
;
   478   1   480   46   parsed_1c34   1   
        153   
;
assign (resid=13 and segid="AP1" and name=H6  )
       (resid=13 and segid="AP1" and name=H1' )
   0.830                   2.000              
;
   481   1   483   46   parsed_1c34   1   
        154   
;
assign (resid=13 and segid="AP1" and name=H6  )
       (resid=13 and segid="AP1" and name=H2'')
   2.090                   9.050              
;
   484   1   486   46   parsed_1c34   1   
        155   
;
assign (resid=13 and segid="AP1" and name=H6  )
       (resid=13 and segid="AP1" and name=H2' )
   6.160                  14.770              
;
   487   1   489   46   parsed_1c34   1   
        156   
;
assign (resid=13 and segid="AP1" and name=H6  )
       (resid=13 and segid="AP1" and name=H3' )
   0.000                   1.200              
;
   490   1   492   46   parsed_1c34   1   
        157   
;
assign (resid=13 and segid="AP1" and name=H6  )
       (resid=13 and segid="AP1" and name=H4' )
   0.647                   0.770              
;
   493   1   495   46   parsed_1c34   1   
        158   
;
assign (resid=13 and segid="AP1" and name=H6  )
       (resid=13 and segid="AP1" and name=H5+ )
   5.410                  16.120              
;
   496   1   498   46   parsed_1c34   1   
        159   
;
assign (resid=13 and segid="AP1" and name=H1' )
       (resid=13 and segid="AP1" and name=H2' )
   3.650                   8.680              
;
   499   1   501   46   parsed_1c34   1   
        160   
;
assign (resid=13 and segid="AP1" and name=H1' )
       (resid=13 and segid="AP1" and name=H2'')
  10.970                  13.160              
;
   502   1   504   46   parsed_1c34   1   
        161   
;
assign (resid=13 and segid="AP1" and name=H1' )
       (resid=13 and segid="AP1" and name=H5+ )
   6.400                   3.110              
;
   505   1   507   46   parsed_1c34   1   
        162   
;
assign (resid=13 and segid="AP1" and name=H3' )
       (resid=13 and segid="AP1" and name=H2' )
   2.510                  29.240              
;
   508   1   510   46   parsed_1c34   1   
        163   
;
assign (resid=13 and segid="AP1" and name=H3' )
       (resid=13 and segid="AP1" and name=H2'')
   5.110                  11.530              
;
   511   1   513   46   parsed_1c34   1   
        164   
;
assign (resid=13 and segid="AP1" and name=H6  )
       (resid=12 and segid="AP1" and name=H3' )
   0.283                   0.942            
;
   514   1   516   44   parsed_1c34   1   
        165   
;
assign (resid=13 and segid="AP1" and name=H6  )
       (resid=11 and segid="AP1" and name=H8  )
   0.754                   2.575              
;
   517   1   519   46   parsed_1c34   1   
        166   
;
assign (resid=14 and segid="AP1" and name=H8  )
       (resid=14 and segid="AP1" and name=H1' )
   6.020                  12.060              
;
   520   1   522   46   parsed_1c34   1   
        167   
;
assign (resid=14 and segid="AP1" and name=H8  )
       (resid=14 and segid="AP1" and name=H2' )
   0.420                   0.300            
;
   523   1   525   44   parsed_1c34   1   
        168   
;
assign (resid=14 and segid="AP1" and name=H8  )
       (resid=14 and segid="AP1" and name=H2'')
   0.420                   4.400              
;
   526   1   528   46   parsed_1c34   1   
        169   
;
assign (resid=14 and segid="AP1" and name=H8  )
       (resid=14 and segid="AP1" and name=H3' )
   0.000                   0.190              
;
   529   1   531   46   parsed_1c34   1   
        170   
;
assign (resid=14 and segid="AP1" and name=H8  )
       (resid=15 and segid="AP1" and name=H4' )
   0.000                   1.240              
;
   532   1   534   46   parsed_1c34   1   
        171   
;
assign (resid=14 and segid="AP1" and name=H1' )
       (resid=14 and segid="AP1" and name=H2'')
   8.890                   5.860              
;
   535   1   537   46   parsed_1c34   1   
        172   
;
assign (resid=14 and segid="AP1" and name=H1' )
       (resid=14 and segid="AP1" and name=H2' )
   5.540                   5.860              
;
   538   1   540   46   parsed_1c34   1   
        173   
;
assign (resid=14 and segid="AP1" and name=H3' )
       (resid=14 and segid="AP1" and name=H2' )
   1.810                   2.850              
;
   541   1   543   46   parsed_1c34   1   
        174   
;
assign (resid=14 and segid="AP1" and name=H3' )
       (resid=14 and segid="AP1" and name=H2'')
   2.350                   2.850            
;
   544   1   546   44   parsed_1c34   1   
        175   
;
assign (resid=14 and segid="AP1" and name=H1' )
       (resid=13 and segid="AP1" and name=H5+ )
   1.630                   2.897            
;
   547   1   549   44   parsed_1c34   1   
        176   
;
assign (resid=15 and segid="AP1" and name=H8  )
       (resid=15 and segid="AP1" and name=H1' )
   0.000                 0.860            
;
   550   1   552   42   parsed_1c34   1   
        177   
;
assign (resid=15 and segid="AP1" and name=H8  )
       (resid=15 and segid="AP1" and name=H2'')
   1.270                 6.280            
;
   553   1   555   42   parsed_1c34   1   
        178   
;
assign (resid=15 and segid="AP1" and name=H8  )
       (resid=15 and segid="AP1" and name=H2' )
   4.300                 6.170            
;
   556   1   558   42   parsed_1c34   1   
        179   
;
assign (resid=15 and segid="AP1" and name=H1' )
       (resid=15 and segid="AP1" and name=H2' )
   1.900                 5.310            
;
   559   1   561   42   parsed_1c34   1   
        180   
;
assign (resid=15 and segid="AP1" and name=H1' )
       (resid=15 and segid="AP1" and name=H2'')
   0.000                12.590              
;
   562   1   564   44   parsed_1c34   1   
        181   
;
assign (resid=15 and segid="AP1" and name=H3' )
       (resid=15 and segid="AP1" and name=H2' )
   5.620                12.770              
;
   565   1   567   44   parsed_1c34   1   
        182   
;
assign (resid=15 and segid="AP1" and name=H3' )
       (resid=15 and segid="AP1" and name=H2'')
   4.420                13.100            
;
   568   1   570   42   parsed_1c34   1   
        183   
;
assign (resid=15 and segid="AP1" and name=H8  )
       (resid= 9 and segid="AP1" and name=H6  )
   3.280                 3.988            
;
   571   1   573   42   parsed_1c34   1   
        184   
;
assign (resid=15 and segid="AP1" and name=H8  )
       (resid=15 and segid="AP1" and name=H2'')
   0.019                 0.637            
;
   574   1   576   42   parsed_1c34   1   
        185   
;
assign (resid=15 and segid="AP1" and name=H8  )
       (resid= 9 and segid="AP1" and name=H2' )
   1.450                 6.170              
;
   577   1   579   44   parsed_1c34   1   
    stop_

save_





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