*HEADER    TRANSPORT PROTEIN                       22-DEC-01   1KOT              
*TITLE     SOLUTION STRUCTURE OF HUMAN GABA RECEPTOR ASSOCIATED                  
*TITLE    2 PROTEIN GABARAP                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GABARAP;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GABA-A RECEPTOR-ASSOCIATED PROTEIN;                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-GABARAP                              
*KEYWDS    HUMAN GABA RECEPTOR TARGETING GABARAP                                 
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    T.STANGLER, C.LUGE, L.M.MAYR, D.WILLBOLD                              
*REVDAT   1   16-JAN-02 1KOT    0                                                
 ASSI {    6}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      1.900     0.400     0.400 peak     6 weight  0.10000E+01 volume  0.22534E-01 ppm1      8.777 ppm2      5.106 CV     1
 ASSI {   17}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG1#))
      2.500     0.800     0.800 peak    17 weight  0.10000E+01 volume  0.37195E-02 ppm1      8.498 ppm2      0.807 CV     1
 OR {   17}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HD# )
 ASSI {   50}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB# ))
      2.100     0.600     0.600 peak    50 weight  0.10000E+01 volume  0.10557E-01 ppm1      8.063 ppm2      1.663 CV     1
 ASSI {   53}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.100     0.500     0.500 peak    53 weight  0.10000E+01 volume  0.12138E-01 ppm1      9.502 ppm2      5.107 CV     1
 ASSI {   58}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB# ))
      2.400     0.700     0.700 peak    58 weight  0.10000E+01 volume  0.52053E-02 ppm1      9.158 ppm2      1.882 CV     1
 ASSI {   59}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG# ))
      2.500     0.800     0.800 peak    59 weight  0.10000E+01 volume  0.37478E-02 ppm1      9.158 ppm2      1.737 CV     1
 ASSI {   72}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.100     0.500     0.500 peak    72 weight  0.10000E+01 volume  0.12009E-01 ppm1      7.992 ppm2      8.401 CV     1
 ASSI {   89}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.000     0.500     0.500 peak    89 weight  0.10000E+01 volume  0.16697E-01 ppm1      8.893 ppm2      5.117 CV     1
 ASSI {   93}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB# ))
      2.600     0.900     0.900 peak    93 weight  0.10000E+01 volume  0.29091E-02 ppm1      8.610 ppm2      2.621 CV     1
 ASSI {  107}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB# ))
      2.000     0.500     0.500 peak   107 weight  0.10000E+01 volume  0.14257E-01 ppm1      8.846 ppm2      1.564 CV     1
 ASSI {  114}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB# ))
      1.900     0.400     0.400 peak   114 weight  0.10000E+01 volume  0.22944E-01 ppm1      8.118 ppm2      1.827 CV     1
 ASSI {  124}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.000     0.500     0.500 peak   124 weight  0.10000E+01 volume  0.15793E-01 ppm1      8.685 ppm2      4.412 CV     1
 ASSI {  128}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB# ))
      2.600     0.800     0.800 peak   128 weight  0.10000E+01 volume  0.32626E-02 ppm1      7.461 ppm2      1.826 CV     1
 ASSI {  130}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      2.100     0.500     0.500 peak   130 weight  0.10000E+01 volume  0.11659E-01 ppm1      7.462 ppm2      1.597 CV     1
 ASSI {  146}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG# ))
      1.900     0.400     0.400 peak   146 weight  0.10000E+01 volume  0.22937E-01 ppm1      8.110 ppm2      2.504 CV     1
 ASSI {  164}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.000     0.500     0.500 peak   164 weight  0.10000E+01 volume  0.13475E-01 ppm1      8.300 ppm2      1.808 CV     1
 OR {  164}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG1#))
 ASSI {  165}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HD# )
      2.600     0.900     0.900 peak   165 weight  0.10000E+01 volume  0.29015E-02 ppm1      8.300 ppm2      0.869 CV     1
 ASSI {  173}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB# ))
      2.400     0.700     0.700 peak   173 weight  0.10000E+01 volume  0.47137E-02 ppm1      8.683 ppm2      1.904 CV     1
 ASSI {  177}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      2.200     0.600     0.600 peak   177 weight  0.10000E+01 volume  0.86358E-02 ppm1      8.399 ppm2      1.830 CV     1
 OR {  177}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB# ))
 ASSI {  183}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB# ))
      2.400     0.700     0.700 peak   183 weight  0.10000E+01 volume  0.49592E-02 ppm1      7.441 ppm2      1.832 CV     1
 ASSI {  185}{ calib n302}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     0.700     0.700 peak   185 weight  0.10000E+01 volume  0.13133E-01 ppm1      7.573 ppm2      7.368 CV     1
 ASSI {  196}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.100     0.500     0.500 peak   196 weight  0.10000E+01 volume  0.12822E-01 ppm1      9.340 ppm2      4.897 CV     1
 ASSI {  203}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB# ))
      2.600     0.900     0.900 peak   203 weight  0.10000E+01 volume  0.30008E-02 ppm1      7.820 ppm2      1.627 CV     1
 ASSI {  209}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.500     0.800     0.800 peak   209 weight  0.10000E+01 volume  0.39659E-02 ppm1      8.412 ppm2      7.395 CV     1
 ASSI {  210}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB# ))
      2.100     0.500     0.500 peak   210 weight  0.10000E+01 volume  0.12056E-01 ppm1      8.411 ppm2      2.302 CV     1
 ASSI {  219}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.000     0.500     0.500 peak   219 weight  0.10000E+01 volume  0.15583E-01 ppm1      7.803 ppm2      7.498 CV     1
 ASSI {  220}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   220 weight  0.10000E+01 volume  0.63224E-02 ppm1      7.802 ppm2      4.477 CV     1
 ASSI {  222}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG  ))
      1.900     0.500     0.500 peak   222 weight  0.10000E+01 volume  0.17476E-01 ppm1      7.800 ppm2      1.687 CV     1
 OR {  222}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB# ))
 ASSI {  226}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HB# ))
      2.600     0.900     0.900 peak   226 weight  0.10000E+01 volume  0.29840E-02 ppm1      8.512 ppm2      1.865 CV     1
 ASSI {  231}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG# ))
      2.000     0.500     0.500 peak   231 weight  0.10000E+01 volume  0.16433E-01 ppm1      7.766 ppm2      1.620 CV     1
 ASSI {  241}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB# ))
      2.100     0.600     0.600 peak   241 weight  0.10000E+01 volume  0.10672E-01 ppm1      7.526 ppm2      1.825 CV     1
 ASSI {  256}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak   256 weight  0.10000E+01 volume  0.52545E-02 ppm1      8.536 ppm2      7.349 CV     1
 ASSI {  257}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.200     0.600     0.600 peak   257 weight  0.10000E+01 volume  0.73934E-02 ppm1      8.536 ppm2      3.400 CV     1
 ASSI {  258}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      2.600     0.800     0.800 peak   258 weight  0.10000E+01 volume  0.32340E-02 ppm1      8.535 ppm2      1.772 CV     1
 ASSI {  271}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB# ))
      2.000     0.500     0.500 peak   271 weight  0.10000E+01 volume  0.15162E-01 ppm1      7.725 ppm2      1.456 CV     1
 ASSI {  284}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB# ))
      2.700     0.900     0.900 peak   284 weight  0.10000E+01 volume  0.26368E-02 ppm1      9.018 ppm2      1.817 CV     1
 OR {  284}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
 ASSI {  294}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB# ))
      2.100     0.500     0.500 peak   294 weight  0.10000E+01 volume  0.12307E-01 ppm1      8.351 ppm2      3.695 CV     1
 OR {  294}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  304}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB# ))
      2.100     0.600     0.600 peak   304 weight  0.10000E+01 volume  0.10631E-01 ppm1      7.368 ppm2      3.176 CV     1
 ASSI {  311}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB# ))
      2.200     0.600     0.600 peak   311 weight  0.10000E+01 volume  0.74226E-02 ppm1      6.968 ppm2      1.100 CV     1
 ASSI {  321}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 61   and name HB# ))
      2.500     0.800     0.800 peak   321 weight  0.10000E+01 volume  0.38541E-02 ppm1      8.724 ppm2      2.521 CV     1
 ASSI {  329}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB# ))
      1.800     0.400     0.400 peak   329 weight  0.10000E+01 volume  0.27374E-01 ppm1      9.565 ppm2      2.088 CV     1
 OR {  329}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HB# ))
 ASSI {  332}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HD% )
      2.500     0.800     0.800 peak   332 weight  0.10000E+01 volume  0.40984E-02 ppm1      8.513 ppm2      6.822 CV     1
 ASSI {  333}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      1.900     0.400     0.400 peak   333 weight  0.10000E+01 volume  0.23216E-01 ppm1      8.513 ppm2      6.501 CV     1
 ASSI {  339}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.200     0.600     0.600 peak   339 weight  0.10000E+01 volume  0.80532E-02 ppm1      7.346 ppm2      7.525 CV     1
 ASSI {  342}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB# ))
      2.000     0.500     0.500 peak   342 weight  0.10000E+01 volume  0.16673E-01 ppm1      7.346 ppm2      1.753 CV     1
 ASSI {  343}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB# ))
      2.300     0.600     0.600 peak   343 weight  0.10000E+01 volume  0.72371E-02 ppm1      7.345 ppm2      1.627 CV     1
 ASSI {  349}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   349 weight  0.10000E+01 volume  0.35031E-02 ppm1      8.260 ppm2      3.699 CV     1
 OR {  349}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB# ))
 ASSI {  351}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB# ))
      2.300     0.700     0.700 peak   351 weight  0.10000E+01 volume  0.65095E-02 ppm1      8.260 ppm2      2.681 CV     1
 ASSI {  357}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB# ))
      2.200     0.600     0.600 peak   357 weight  0.10000E+01 volume  0.87214E-02 ppm1      8.559 ppm2      2.668 CV     1
 ASSI {  358}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB# ))
      2.400     0.700     0.700 peak   358 weight  0.10000E+01 volume  0.48394E-02 ppm1      8.560 ppm2      1.919 CV     1
 OR {  358}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG# ))
 ASSI {  368}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG1#))
      2.600     0.900     0.900 peak   368 weight  0.10000E+01 volume  0.28153E-02 ppm1      6.931 ppm2      1.754 CV     1
 ASSI {  370}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG1#))
      2.200     0.600     0.600 peak   370 weight  0.10000E+01 volume  0.94825E-02 ppm1      6.931 ppm2      1.445 CV     1
 ASSI {  371}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HG# )
      2.000     0.500     0.500 peak   371 weight  0.10000E+01 volume  0.16808E-01 ppm1      6.931 ppm2      1.107 CV     1
 OR {  371}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD# )
 ASSI {  377}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB# ))
      2.000     0.500     0.500 peak   377 weight  0.10000E+01 volume  0.14978E-01 ppm1      7.394 ppm2      1.807 CV     1
 ASSI {  387}{ersetzt durch c 2236}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB# ))
      3.000     1.100     1.100 peak   387 weight  0.10000E+01 volume  0.12279E-01 ppm1      8.433 ppm2      1.817 CV     1
 ASSI {  420}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      2.000     0.500     0.500 peak   420 weight  0.10000E+01 volume  0.13059E-01 ppm1      8.135 ppm2      8.426 CV     1
 ASSI {  454}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB# ))
      2.600     0.800     0.800 peak   454 weight  0.10000E+01 volume  0.31126E-02 ppm1      7.777 ppm2      3.898 CV     1
 ASSI {  465}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HB  ))
      2.700     0.900     0.900 peak   465 weight  0.10000E+01 volume  0.25019E-02 ppm1      9.464 ppm2      4.887 CV     1
 ASSI {  475}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     0.800     0.800 peak   475 weight  0.10000E+01 volume  0.34232E-02 ppm1      8.924 ppm2      9.102 CV     1
 ASSI {  496}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      4.100     2.100     1.900 peak   496 weight  0.10000E+01 volume  0.21162E-03 ppm1      8.785 ppm2      4.780 CV     1
 ASSI {  498}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 108  and name HD% )
      3.900     1.900     1.900 peak   498 weight  0.10000E+01 volume  0.25333E-03 ppm1      8.783 ppm2      6.342 CV     1
 ASSI {  499}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 106  and name HD% )
      3.800     1.800     1.800 peak   499 weight  0.10000E+01 volume  0.34100E-03 ppm1      8.776 ppm2      6.867 CV     1
 ASSI {  503}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 109  and name HD# )
      4.000     2.000     2.000 peak   503 weight  0.10000E+01 volume  0.22858E-03 ppm1      9.011 ppm2      0.287 CV     1
 ASSI {  519}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 79   and name HE% )
      4.400     2.500     1.600 peak   519 weight  0.10000E+01 volume  0.12497E-03 ppm1      8.480 ppm2      7.239 CV     1
 OR {  519}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HZ  ))
 ASSI {  534}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 119  and name HD# )
      2.900     1.000     1.000 peak   534 weight  0.10000E+01 volume  0.17702E-02 ppm1      7.396 ppm2      0.788 CV     1
 ASSI {  539}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 81   and name HE% )
      3.300     1.400     1.400 peak   539 weight  0.10000E+01 volume  0.70139E-03 ppm1      8.231 ppm2      7.184 CV     1
 ASSI {  543}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 51   and name HE% )
      4.600     2.600     1.400 peak   543 weight  0.10000E+01 volume  0.10117E-03 ppm1      9.111 ppm2      6.603 CV     1
 ASSI {  547}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HG# )
      2.700     0.900     0.900 peak   547 weight  0.10000E+01 volume  0.22402E-02 ppm1      9.118 ppm2      0.647 CV     1
 ASSI {  551}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HG# )
      3.300     1.400     1.400 peak   551 weight  0.10000E+01 volume  0.71715E-03 ppm1      9.831 ppm2      0.828 CV     1
 ASSI {  557}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.100     1.200     1.200 peak   557 weight  0.10000E+01 volume  0.11845E-02 ppm1      9.840 ppm2      8.169 CV     1
 ASSI {  566}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 80   and name HE% )
      4.800     2.800     1.200 peak   566 weight  0.10000E+01 volume  0.82568E-04 ppm1      8.863 ppm2      6.651 CV     1
 ASSI {  567}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      3.500     1.500     1.500 peak   567 weight  0.10000E+01 volume  0.55470E-03 ppm1      8.863 ppm2      6.889 CV     1
 ASSI {  569}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 119  and name HD# )
      5.200     3.400     0.800 peak   569 weight  0.10000E+01 volume  0.48294E-04 ppm1      8.061 ppm2      0.797 CV     1
 ASSI {  572}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HG# ))
      2.800     1.000     1.000 peak   572 weight  0.10000E+01 volume  0.20735E-02 ppm1      8.062 ppm2      1.758 CV     1
 OR {  572}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB# ))
 ASSI {  576}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 117  and name HE% )
      3.500     1.500     1.500 peak   576 weight  0.10000E+01 volume  0.56058E-03 ppm1      8.065 ppm2      6.589 CV     1
 ASSI {  580}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HE% )
      4.300     2.300     1.700 peak   580 weight  0.10000E+01 volume  0.16055E-03 ppm1      9.504 ppm2      6.602 CV     1
 ASSI {  587}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG# ))
      3.100     1.200     1.200 peak   587 weight  0.10000E+01 volume  0.10609E-02 ppm1      9.506 ppm2      1.210 CV     1
 ASSI {  596}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HG# )
      3.700     1.700     1.700 peak   596 weight  0.10000E+01 volume  0.40081E-03 ppm1      9.158 ppm2      1.110 CV     1
 OR {  596}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HD# )
 ASSI {  604}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      3.900     1.900     1.900 peak   604 weight  0.10000E+01 volume  0.25723E-03 ppm1      8.603 ppm2      7.050 CV     1
 ASSI {  605}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HE% )
      5.600     3.900     0.400 peak   605 weight  0.10000E+01 volume  0.30465E-04 ppm1      8.594 ppm2      6.628 CV     1
 ASSI {  628}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 55   and name HG  ))
      4.100     2.100     1.900 peak   628 weight  0.10000E+01 volume  0.19180E-03 ppm1      7.993 ppm2      5.756 CV     1
 ASSI {  632}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA# ))
      2.800     1.000     1.000 peak   632 weight  0.10000E+01 volume  0.17931E-02 ppm1      7.991 ppm2      3.710 CV     1
 ASSI {  638}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HD% )
      2.800     1.000     1.000 peak   638 weight  0.10000E+01 volume  0.21729E-02 ppm1      9.161 ppm2      6.916 CV     1
 ASSI {  653}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 5    and name HD% )
      4.600     2.600     1.400 peak   653 weight  0.10000E+01 volume  0.10248E-03 ppm1      9.369 ppm2      7.242 CV     1
 OR {  653}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 5    and name HZ  ))
 ASSI {  654}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      4.100     2.200     1.900 peak   654 weight  0.10000E+01 volume  0.18755E-03 ppm1      8.896 ppm2      7.068 CV     1
 ASSI {  655}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HD% )
      4.400     2.400     1.600 peak   655 weight  0.10000E+01 volume  0.13796E-03 ppm1      9.370 ppm2      6.328 CV     1
 ASSI {  666}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 33   and name HG# )
      3.100     1.200     1.200 peak   666 weight  0.10000E+01 volume  0.99740E-03 ppm1      9.378 ppm2      0.634 CV     1
 ASSI {  682}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 111  and name HE% )
      3.000     1.100     1.100 peak   682 weight  0.10000E+01 volume  0.13469E-02 ppm1      8.846 ppm2      6.647 CV     1
 ASSI {  694}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HD# ))
      4.200     2.200     1.800 peak   694 weight  0.10000E+01 volume  0.16860E-03 ppm1      9.119 ppm2      3.275 CV     1
 ASSI {  701}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 111  and name HE% )
      3.700     1.700     1.700 peak   701 weight  0.10000E+01 volume  0.39372E-03 ppm1      8.118 ppm2      6.650 CV     1
 ASSI {  702}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.900     0.900 peak   702 weight  0.10000E+01 volume  0.29981E-02 ppm1      8.118 ppm2      4.416 CV     1
 ASSI {  704}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 37   and name HG# ))
      3.500     1.500     1.500 peak   704 weight  0.10000E+01 volume  0.51852E-03 ppm1      8.119 ppm2      1.677 CV     1
 ASSI {  720}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HD# )
      2.900     1.000     1.000 peak   720 weight  0.10000E+01 volume  0.16299E-02 ppm1      8.683 ppm2      0.967 CV     1
 ASSI {  723}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG# ))
      3.600     1.600     1.600 peak   723 weight  0.10000E+01 volume  0.43958E-03 ppm1      7.463 ppm2      1.295 CV     1
 ASSI {  724}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 43   and name HD# )
      4.700     2.800     1.300 peak   724 weight  0.10000E+01 volume  0.86030E-04 ppm1      7.463 ppm2      1.101 CV     1
 ASSI {  731}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      4.500     2.500     1.500 peak   731 weight  0.10000E+01 volume  0.11944E-03 ppm1      7.462 ppm2      9.430 CV     1
 ASSI {  734}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HD% )
      4.700     2.700     1.300 peak   734 weight  0.10000E+01 volume  0.93820E-04 ppm1      9.336 ppm2      6.899 CV     1
 ASSI {  739}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB# ))
      3.100     1.200     1.200 peak   739 weight  0.10000E+01 volume  0.98535E-03 ppm1      9.347 ppm2      2.786 CV     1
 ASSI {  746}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB# ))
      2.800     1.000     1.000 peak   746 weight  0.10000E+01 volume  0.21389E-02 ppm1      8.388 ppm2      1.752 CV     1
 ASSI {  749}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB# ))
      3.000     1.100     1.100 peak   749 weight  0.10000E+01 volume  0.12270E-02 ppm1      8.387 ppm2      3.827 CV     1
 ASSI {  765}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB# ))
      2.400     0.700     0.700 peak   765 weight  0.10000E+01 volume  0.44914E-02 ppm1      7.755 ppm2      2.347 CV     1
 ASSI {  779}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 5    and name HE% )
      3.200     1.300     1.300 peak   779 weight  0.10000E+01 volume  0.85580E-03 ppm1      8.701 ppm2      7.414 CV     1
 ASSI {  780}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 5    and name HD% )
      3.900     1.900     1.900 peak   780 weight  0.10000E+01 volume  0.27324E-03 ppm1      8.697 ppm2      7.233 CV     1
 OR {  780}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 5    and name HZ  ))
 ASSI {  781}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 111  and name HD% )
      4.000     2.000     2.000 peak   781 weight  0.10000E+01 volume  0.21915E-03 ppm1      8.696 ppm2      6.810 CV     1
 ASSI {  795}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 97   and name HD% )
      3.500     1.600     1.600 peak   795 weight  0.10000E+01 volume  0.48970E-03 ppm1      7.911 ppm2      6.956 CV     1
 ASSI {  801}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB# ))
      2.700     0.900     0.900 peak   801 weight  0.10000E+01 volume  0.27152E-02 ppm1      7.906 ppm2      2.033 CV     1
 ASSI {  811}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG# ))
      3.200     1.200     1.200 peak   811 weight  0.10000E+01 volume  0.97396E-03 ppm1      7.472 ppm2      2.211 CV     1
 ASSI {  817}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   817 weight  0.10000E+01 volume  0.66660E-03 ppm1      8.409 ppm2      5.115 CV     1
 ASSI {  827}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA# ))
      3.500     1.500     1.500 peak   827 weight  0.10000E+01 volume  0.52371E-03 ppm1      8.303 ppm2      4.090 CV     1
 ASSI {  833}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB# ))
      2.700     0.900     0.900 peak   833 weight  0.10000E+01 volume  0.23023E-02 ppm1      8.821 ppm2      2.711 CV     1
 ASSI {  840}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG# ))
      4.000     2.000     2.000 peak   840 weight  0.10000E+01 volume  0.22866E-03 ppm1      8.399 ppm2      2.492 CV     1
 ASSI {  841}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HA# ))
      4.300     2.300     1.700 peak   841 weight  0.10000E+01 volume  0.14791E-03 ppm1      8.399 ppm2      4.017 CV     1
 ASSI {  863}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 105  and name HD% )
      4.300     2.300     1.700 peak   863 weight  0.10000E+01 volume  0.15215E-03 ppm1      8.672 ppm2      7.077 CV     1
 ASSI {  873}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      4.000     2.000     2.000 peak   873 weight  0.10000E+01 volume  0.21707E-03 ppm1      7.572 ppm2      6.886 CV     1
 ASSI {  877}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD# )
      3.200     1.300     1.300 peak   877 weight  0.10000E+01 volume  0.91509E-03 ppm1      7.574 ppm2      1.005 CV     1
 ASSI {  879}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HG1#))
      3.700     1.700     1.700 peak   879 weight  0.10000E+01 volume  0.38748E-03 ppm1      7.572 ppm2      0.690 CV     1
 ASSI {  881}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HD# )
      4.500     2.500     1.500 peak   881 weight  0.10000E+01 volume  0.11814E-03 ppm1      7.569 ppm2     -0.127 CV     1
 ASSI {  903}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 86   and name HD# )
      3.800     1.800     1.800 peak   903 weight  0.10000E+01 volume  0.32595E-03 ppm1      7.871 ppm2      0.819 CV     1
 OR {  903}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 86   and name HG1#))
 ASSI {  919}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.900     1.900     1.900 peak   919 weight  0.10000E+01 volume  0.28605E-03 ppm1      7.822 ppm2      4.029 CV     1
 ASSI {  920}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      5.200     3.300     0.800 peak   920 weight  0.10000E+01 volume  0.51151E-04 ppm1      7.818 ppm2      6.290 CV     1
 ASSI {  931}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB# ))
      2.500     0.800     0.800 peak   931 weight  0.10000E+01 volume  0.35304E-02 ppm1      6.986 ppm2      1.219 CV     1
 ASSI {  938}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB# ))
      2.800     1.000     1.000 peak   938 weight  0.10000E+01 volume  0.20922E-02 ppm1      7.798 ppm2      2.860 CV     1
 ASSI {  942}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HD# )
      3.000     1.100     1.100 peak   942 weight  0.10000E+01 volume  0.12581E-02 ppm1      7.802 ppm2      0.438 CV     1
 ASSI {  943}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 107  and name HD# )
      3.500     1.500     1.500 peak   943 weight  0.10000E+01 volume  0.51765E-03 ppm1      8.407 ppm2      0.882 CV     1
 ASSI {  947}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB# ))
      2.600     0.900     0.900 peak   947 weight  0.10000E+01 volume  0.29218E-02 ppm1      8.414 ppm2      3.298 CV     1
 ASSI {  973}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 79   and name HD% )
      3.300     1.400     1.400 peak   973 weight  0.10000E+01 volume  0.67785E-03 ppm1      8.510 ppm2      6.915 CV     1
 ASSI {  983}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106   and name HB# ))
      3.200     1.300     1.300 peak   983 weight  0.10000E+01 volume  0.84637E-03 ppm1      8.709 ppm2      3.232 CV     1
 ASSI {  990}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 43   and name HD# )
      3.900     1.900     1.900 peak   990 weight  0.10000E+01 volume  0.27427E-03 ppm1      8.513 ppm2      1.120 CV     1
 OR {  990}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 43   and name HG# )
 ASSI {  991}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 82   and name HG# )
      3.500     1.500     1.500 peak   991 weight  0.10000E+01 volume  0.52519E-03 ppm1      8.184 ppm2      0.636 CV     1
 ASSI { 1000}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HB  ))
      5.000     3.200     1.000 peak  1000 weight  0.10000E+01 volume  0.58334E-04 ppm1      8.185 ppm2      1.728 CV     1
 ASSI { 1004}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 46   and name HD# )
      3.100     1.200     1.200 peak  1004 weight  0.10000E+01 volume  0.10874E-02 ppm1      7.527 ppm2      0.883 CV     1
 ASSI { 1008}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak  1008 weight  0.10000E+01 volume  0.18347E-02 ppm1      7.526 ppm2      3.420 CV     1
 ASSI { 1020}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      4.200     2.200     1.800 peak  1020 weight  0.10000E+01 volume  0.18487E-03 ppm1      6.984 ppm2      3.741 CV     1
 ASSI { 1038}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 63   and name HB# ))
      4.100     2.100     1.900 peak  1038 weight  0.10000E+01 volume  0.19362E-03 ppm1      8.538 ppm2      2.739 CV     1
 ASSI { 1048}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 59   and name HG# )
      3.400     1.400     1.400 peak  1048 weight  0.10000E+01 volume  0.65856E-03 ppm1      9.119 ppm2      0.867 CV     1
 ASSI { 1064}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 80   and name HD% )
      4.800     2.900     1.200 peak  1064 weight  0.10000E+01 volume  0.75385E-04 ppm1      9.120 ppm2      6.779 CV     1
 ASSI { 1065}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      3.700     1.700     1.700 peak  1065 weight  0.10000E+01 volume  0.36896E-03 ppm1      9.117 ppm2      6.889 CV     1
 ASSI { 1086}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.800     2.900     1.200 peak  1086 weight  0.10000E+01 volume  0.79106E-04 ppm1      8.353 ppm2      4.296 CV     1
 ASSI { 1089}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG# ))
      3.600     1.700     1.700 peak  1089 weight  0.10000E+01 volume  0.40938E-03 ppm1      8.351 ppm2      1.915 CV     1
 ASSI { 1090}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB# ))
      3.300     1.300     1.300 peak  1090 weight  0.10000E+01 volume  0.77635E-03 ppm1      8.351 ppm2      1.988 CV     1
 ASSI { 1134}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG# ))
      3.300     1.300     1.300 peak  1134 weight  0.10000E+01 volume  0.77722E-03 ppm1      7.379 ppm2      1.329 CV     1
 ASSI { 1159}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD% )
      2.900     1.100     1.100 peak  1159 weight  0.10000E+01 volume  0.14701E-02 ppm1      9.565 ppm2      7.301 CV     1
 ASSI { 1186}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HD# ))
      5.000     3.100     1.000 peak  1186 weight  0.10000E+01 volume  0.62489E-04 ppm1      7.342 ppm2      2.810 CV     1
 ASSI { 1187}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG# ))
      2.500     0.800     0.800 peak  1187 weight  0.10000E+01 volume  0.37341E-02 ppm1      7.345 ppm2      1.345 CV     1
 ASSI { 1191}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 31   and name HG# )
      4.700     2.700     1.300 peak  1191 weight  0.10000E+01 volume  0.90531E-04 ppm1      8.262 ppm2      0.399 CV     1
 ASSI { 1205}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HB# ))
      3.200     1.300     1.300 peak  1205 weight  0.10000E+01 volume  0.89864E-03 ppm1      8.558 ppm2      1.427 CV     1
 ASSI { 1220}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 52   and name HD# )
      4.300     2.300     1.700 peak  1220 weight  0.10000E+01 volume  0.14670E-03 ppm1      8.038 ppm2      0.507 CV     1
 ASSI { 1222}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 13   and name HZ  ))
      4.100     2.100     1.900 peak  1222 weight  0.10000E+01 volume  0.21075E-03 ppm1      7.836 ppm2      7.294 CV     1
 ASSI { 1225}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HB# ))
      4.100     2.100     1.900 peak  1225 weight  0.10000E+01 volume  0.19119E-03 ppm1      7.827 ppm2      3.107 CV     1
 ASSI { 1239}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HD# ))
      3.100     1.200     1.200 peak  1239 weight  0.10000E+01 volume  0.99797E-03 ppm1      8.434 ppm2      1.588 CV     1
 ASSI { 1240}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG# ))
      2.500     0.800     0.800 peak  1240 weight  0.10000E+01 volume  0.43182E-02 ppm1      8.434 ppm2      1.296 CV     1
 ASSI { 1247}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HD# ))
      5.000     3.100     1.000 peak  1247 weight  0.10000E+01 volume  0.61104E-04 ppm1      8.595 ppm2      3.981 CV     1
 ASSI { 1249}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HG# ))
      3.800     1.800     1.800 peak  1249 weight  0.10000E+01 volume  0.33217E-03 ppm1      8.593 ppm2      2.186 CV     1
 ASSI { 1259}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB# ))
      2.700     0.900     0.900 peak  1259 weight  0.10000E+01 volume  0.24623E-02 ppm1      7.497 ppm2      1.918 CV     1
 ASSI { 1261}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  1261 weight  0.10000E+01 volume  0.25803E-02 ppm1      7.494 ppm2      4.010 CV     1
 ASSI { 1266}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 81   and name HE% )
      3.500     1.600     1.600 peak  1266 weight  0.10000E+01 volume  0.49273E-03 ppm1      9.280 ppm2      7.194 CV     1
 ASSI { 1276}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 79   and name HB# ))
      3.700     1.700     1.700 peak  1276 weight  0.10000E+01 volume  0.35459E-03 ppm1      9.284 ppm2      2.603 CV     1
 ASSI { 1279}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 43   and name HD# )
      3.500     1.500     1.500 peak  1279 weight  0.10000E+01 volume  0.56456E-03 ppm1      9.282 ppm2      1.117 CV     1
 OR { 1279}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 43   and name HG# )
 ASSI { 1282}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 110  and name HB% )
      3.000     1.100     1.100 peak  1282 weight  0.10000E+01 volume  0.13464E-02 ppm1      9.089 ppm2      1.552 CV     1
 ASSI { 1288}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HD% )
      2.600     0.900     0.900 peak  1288 weight  0.10000E+01 volume  0.28113E-02 ppm1      9.085 ppm2      6.813 CV     1
 ASSI { 1299}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB# ))
      3.600     1.600     1.600 peak  1299 weight  0.10000E+01 volume  0.46053E-03 ppm1      7.548 ppm2      2.539 CV     1
 ASSI { 1302}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 117  and name HD% )
      3.200     1.300     1.300 peak  1302 weight  0.10000E+01 volume  0.84368E-03 ppm1      7.549 ppm2      6.601 CV     1
 ASSI { 1303}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 79   and name HE% )
      2.900     1.100     1.100 peak  1303 weight  0.10000E+01 volume  0.16114E-02 ppm1      7.978 ppm2      7.228 CV     1
 OR { 1303}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 79   and name HZ  ))
 ASSI { 1308}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB# ))
      2.800     1.000     1.000 peak  1308 weight  0.10000E+01 volume  0.19839E-02 ppm1      7.601 ppm2      0.899 CV     1
 ASSI { 1323}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HG# ))
      2.800     1.000     1.000 peak  1323 weight  0.10000E+01 volume  0.18748E-02 ppm1      8.798 ppm2      1.770 CV     1
 ASSI { 1354}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HG# ))
      3.500     1.500     1.500 peak  1354 weight  0.10000E+01 volume  0.52042E-03 ppm1      7.776 ppm2      2.182 CV     1
 ASSI { 1364}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 106  and name HE% )
      2.800     1.000     1.000 peak  1364 weight  0.10000E+01 volume  0.18250E-02 ppm1      9.503 ppm2      7.207 CV     1
 ASSI { 1368}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB# ))
      2.300     0.600     0.600 peak  1368 weight  0.10000E+01 volume  0.71387E-02 ppm1      9.503 ppm2      2.349 CV     1
 ASSI { 1372}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     0.800     0.800 peak  1372 weight  0.10000E+01 volume  0.31722E-02 ppm1      8.183 ppm2      4.900 CV     1
 OR { 1372}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB  ))
 ASSI {  339}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB# ))
      6.000     4.500     0.000 peak   339 weight  0.10000E+01 volume  0.00000E+00 ppm1   -999.000 ppm2   -999.000 CV     1
 ASSI { 1414}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HE% )
      5.100     3.200     0.900 peak  1414 weight  0.10000E+01 volume  0.54959E-04 ppm1      7.876 ppm2      7.319 CV     1
 OR { 1414}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HZ  ))
 ASSI { 1419}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD% )
      2.900     1.100     1.100 peak  1419 weight  0.10000E+01 volume  0.15215E-02 ppm1      8.607 ppm2      7.214 CV     1
 ASSI { 1421}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB# ))
      3.100     1.200     1.200 peak  1421 weight  0.10000E+01 volume  0.11457E-02 ppm1      8.608 ppm2      1.654 CV     1
 ASSI { 1432}
   (( segid "    " and resid 84   and name HD22))
   (( segid "    " and resid 3    and name HB# ))
      6.000     5.200     0.000 peak  1432 weight  0.10000E+01 volume  0.13415E-04 ppm1      6.647 ppm2      1.793 CV     1
 ASSI { 1433}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak  1433 weight  0.10000E+01 volume  0.23794E-02 ppm1      7.598 ppm2      7.783 CV     1
 ASSI { 1444}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HE% )
      4.900     3.000     1.100 peak  1444 weight  0.10000E+01 volume  0.68460E-04 ppm1      8.038 ppm2      6.725 CV     1
 ASSI { 1446}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB# ))
      3.000     1.100     1.100 peak  1446 weight  0.10000E+01 volume  0.14488E-02 ppm1      8.040 ppm2      1.461 CV     1
 ASSI { 1448}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1448 weight  0.10000E+01 volume  0.24269E-03 ppm1      7.806 ppm2      7.371 CV     1
 ASSI { 1450}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG# ))
      4.600     2.600     1.400 peak  1450 weight  0.10000E+01 volume  0.10515E-03 ppm1      9.134 ppm2      1.299 CV     1
 ASSI { 1452}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HD# ))
      4.300     2.400     1.700 peak  1452 weight  0.10000E+01 volume  0.14263E-03 ppm1      9.135 ppm2      3.349 CV     1
 ASSI { 1463}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 111  and name HB# ))
      6.000     4.600     0.000 peak  1463 weight  0.10000E+01 volume  0.18868E-04 ppm1      8.893 ppm2      2.832 CV     1
 ASSI { 1473}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 37   and name HG# ))
      5.700     4.000     0.300 peak  1473 weight  0.10000E+01 volume  0.29167E-04 ppm1      8.302 ppm2      1.663 CV     1
 ASSI { 1476}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HE% )
      5.300     3.500     0.700 peak  1476 weight  0.10000E+01 volume  0.41890E-04 ppm1      8.606 ppm2      7.419 CV     1
 ASSI { 1477}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 51   and name HE% )
      4.100     2.100     1.900 peak  1477 weight  0.10000E+01 volume  0.20694E-03 ppm1      6.984 ppm2      6.629 CV     1
 ASSI { 1482}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      4.500     2.500     1.500 peak  1482 weight  0.10000E+01 volume  0.12290E-03 ppm1      8.921 ppm2      6.299 CV     1
 ASSI { 1495}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 117  and name HD% )
      5.600     4.000     0.400 peak  1495 weight  0.10000E+01 volume  0.29687E-04 ppm1      8.167 ppm2      6.624 CV     1
 OR { 1495}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 117  and name HE% )
 ASSI { 1497}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      5.200     3.400     0.800 peak  1497 weight  0.10000E+01 volume  0.48987E-04 ppm1      8.598 ppm2      8.918 CV     1
 ASSI { 1501}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.400     2.400     1.600 peak  1501 weight  0.10000E+01 volume  0.69119E-03 ppm1      9.336 ppm2      4.794 CV     1
 ASSI { 1505}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.400     0.000 peak  1505 weight  0.10000E+01 volume  0.21205E-04 ppm1      7.997 ppm2      4.260 CV     1
 ASSI { 1510}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      5.700     4.100     0.300 peak  1510 weight  0.10000E+01 volume  0.27782E-04 ppm1      7.397 ppm2      4.769 CV     1
 ASSI { 1516}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HD% )
      5.000     3.100     1.000 peak  1516 weight  0.10000E+01 volume  0.62316E-04 ppm1      7.855 ppm2      7.087 CV     1
 ASSI { 1520}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 104  and name HB# ))
      5.000     3.200     1.000 peak  1520 weight  0.10000E+01 volume  0.57642E-04 ppm1      7.903 ppm2      3.119 CV     1
 ASSI { 1526}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     5.500     0.000 peak  1526 weight  0.10000E+01 volume  0.11251E-04 ppm1      7.546 ppm2      4.120 CV     1
 ASSI { 1530}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 117  and name HD% )
      3.600     1.600     1.600 peak  1530 weight  0.10000E+01 volume  0.44884E-03 ppm1      7.395 ppm2      6.606 CV     1
 OR { 1530}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 117  and name HE% )
 ASSI { 1543}
   (( segid "    " and resid 61   and name HE22))
   (( segid "    " and resid 57   and name HA  ))
      5.000     3.100     1.000 peak  1543 weight  0.10000E+01 volume  0.61969E-04 ppm1      6.861 ppm2      4.267 CV     1
 ASSI { 1553}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 117  and name HB# ))
      5.400     3.600     0.600 peak  1553 weight  0.10000E+01 volume  0.39293E-04 ppm1      7.397 ppm2      1.903 CV     1
 ASSI { 1555}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      4.700     2.700     1.300 peak  1555 weight  0.10000E+01 volume  0.90617E-04 ppm1      7.278 ppm2      4.941 CV     1
 ASSI { 1558}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.800     0.000 peak  1558 weight  0.10000E+01 volume  0.17224E-04 ppm1      8.564 ppm2      4.889 CV     1
 ASSI { 1560}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 43   and name HD# )
      4.100     2.100     1.900 peak  1560 weight  0.10000E+01 volume  0.20824E-03 ppm1      8.900 ppm2      1.100 CV     1
 ASSI { 1571}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 113  and name HB# ))
      6.000     5.200     0.000 peak  1571 weight  0.10000E+01 volume  0.13588E-04 ppm1      8.473 ppm2      3.066 CV     1
 ASSI { 1573}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HD# )
      3.000     1.100     1.100 peak  1573 weight  0.10000E+01 volume  0.13975E-02 ppm1      8.861 ppm2      0.871 CV     1
 ASSI { 1579}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 49   and name HB# ))
      4.000     2.000     2.000 peak  1579 weight  0.10000E+01 volume  0.22105E-03 ppm1      9.117 ppm2      1.930 CV     1
 ASSI { 1586}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 93   and name HG# ))
      4.300     2.300     1.700 peak  1586 weight  0.10000E+01 volume  0.15094E-03 ppm1      8.859 ppm2      2.389 CV     1
 ASSI { 1587}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 93   and name HG# ))
      4.800     2.900     1.200 peak  1587 weight  0.10000E+01 volume  0.76942E-04 ppm1      8.860 ppm2      2.186 CV     1
 ASSI { 1595}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 89   and name HG# )
      3.300     1.300     1.300 peak  1595 weight  0.10000E+01 volume  0.79392E-03 ppm1      7.285 ppm2      1.390 CV     1
 ASSI { 1596}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HB# ))
      5.000     3.200     1.000 peak  1596 weight  0.10000E+01 volume  0.58074E-04 ppm1      8.755 ppm2      1.662 CV     1
 ASSI { 1597}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HG# ))
      5.100     3.200     0.900 peak  1597 weight  0.10000E+01 volume  0.55132E-04 ppm1      8.754 ppm2      1.772 CV     1
 ASSI { 1599}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HB# ))
      4.800     2.900     1.200 peak  1599 weight  0.10000E+01 volume  0.77115E-04 ppm1      7.993 ppm2      1.944 CV     1
 ASSI { 1600}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 96   and name HD# )
      4.700     2.800     1.300 peak  1600 weight  0.10000E+01 volume  0.87675E-04 ppm1      7.990 ppm2      0.892 CV     1
 ASSI { 1615}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG# )
      4.000     2.000     2.000 peak  1615 weight  0.10000E+01 volume  0.24442E-03 ppm1      7.450 ppm2      1.266 CV     1
 ASSI { 1618}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.300     2.300     1.700 peak  1618 weight  0.10000E+01 volume  0.16012E-03 ppm1      9.119 ppm2      4.225 CV     1
 ASSI { 1620}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 37   and name HB# ))
      3.800     1.800     1.800 peak  1620 weight  0.10000E+01 volume  0.30232E-03 ppm1      8.123 ppm2      1.583 CV     1
 ASSI { 1627}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 111  and name HE% )
      4.500     2.500     1.500 peak  1627 weight  0.10000E+01 volume  0.12048E-03 ppm1      8.706 ppm2      6.630 CV     1
 ASSI { 1639}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 69   and name HD# ))
      5.000     3.100     1.000 peak  1639 weight  0.10000E+01 volume  0.61796E-04 ppm1      7.457 ppm2      3.262 CV     1
 ASSI { 1648}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      4.700     2.800     1.300 peak  1648 weight  0.10000E+01 volume  0.85597E-04 ppm1      7.875 ppm2      6.275 CV     1
 ASSI { 1658}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  1658 weight  0.10000E+01 volume  0.24036E-02 ppm1      7.525 ppm2      4.007 CV     1
 ASSI { 1664}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HD# ))
      3.900     1.900     1.900 peak  1664 weight  0.10000E+01 volume  0.25610E-03 ppm1      7.724 ppm2      3.638 CV     1
 ASSI { 1670}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HB# ))
      5.000     3.100     1.000 peak  1670 weight  0.10000E+01 volume  0.60757E-04 ppm1      8.534 ppm2      3.200 CV     1
 ASSI { 1671}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD# ))
      3.500     1.500     1.500 peak  1671 weight  0.10000E+01 volume  0.53003E-03 ppm1      8.538 ppm2      2.816 CV     1
 ASSI { 1700}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 5    and name HE% )
      4.400     2.400     1.600 peak  1700 weight  0.10000E+01 volume  0.13987E-03 ppm1      8.517 ppm2      7.417 CV     1
 ASSI { 1702}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB# ))
      5.200     3.300     0.800 peak  1702 weight  0.10000E+01 volume  0.51151E-04 ppm1      7.497 ppm2      1.915 CV     1
 OR { 1702}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HG# ))
 ASSI { 1703}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HG# )
      4.500     2.600     1.500 peak  1703 weight  0.10000E+01 volume  0.10975E-03 ppm1      7.349 ppm2      0.354 CV     1
 ASSI { 1705}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HG# ))
      4.400     2.400     1.600 peak  1705 weight  0.10000E+01 volume  0.12818E-03 ppm1      8.258 ppm2      2.232 CV     1
 ASSI { 1712}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HE# ))
      5.300     3.600     0.700 peak  1712 weight  0.10000E+01 volume  0.41544E-04 ppm1      8.434 ppm2      2.916 CV     1
 ASSI { 1719}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      5.100     3.300     0.900 peak  1719 weight  0.10000E+01 volume  0.51410E-04 ppm1      7.986 ppm2      4.129 CV     1
 ASSI { 1720}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      5.600     3.900     0.400 peak  1720 weight  0.10000E+01 volume  0.31331E-04 ppm1      7.982 ppm2      1.426 CV     1
 ASSI { 1724}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 107  and name HG  ))
      5.100     3.200     0.900 peak  1724 weight  0.10000E+01 volume  0.54873E-04 ppm1      8.136 ppm2      0.746 CV     1
 ASSI { 1726}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 58   and name HG# )
      6.000     5.100     0.000 peak  1726 weight  0.10000E+01 volume  0.13761E-04 ppm1      7.782 ppm2      1.238 CV     1
 ASSI { 1732}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 46   and name HD# )
      5.000     3.200     1.000 peak  1732 weight  0.10000E+01 volume  0.58247E-04 ppm1      8.297 ppm2      0.983 CV     1
 ASSI { 1744}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 91   and name HB% )
      5.400     3.600     0.600 peak  1744 weight  0.10000E+01 volume  0.39293E-04 ppm1      8.594 ppm2      1.490 CV     1
 ASSI { 1747}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HG# ))
      5.100     3.200     0.900 peak  1747 weight  0.10000E+01 volume  0.54353E-04 ppm1      8.259 ppm2      1.888 CV     1
 ASSI { 1748}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 111  and name HE% )
      4.600     2.700     1.400 peak  1748 weight  0.10000E+01 volume  0.94685E-04 ppm1      6.933 ppm2      6.669 CV     1
 ASSI { 1757}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB# ))
      2.600     0.800     0.800 peak  1757 weight  0.10000E+01 volume  0.32544E-02 ppm1      7.396 ppm2      1.480 CV     1
 ASSI { 1760}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HG# ))
      4.600     2.700     1.400 peak  1760 weight  0.10000E+01 volume  0.10023E-03 ppm1      7.724 ppm2      1.637 CV     1
 ASSI {  750}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.500     1.500 peak   750 weight  0.20000E+01 volume  0.58395E-03 ppm1      8.385 ppm2      4.210 CV     1
 ASSI {  747}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB# ))
      2.800     1.000     1.000 peak   747 weight  0.20000E+01 volume  0.21428E-02 ppm1      8.389 ppm2      1.863 CV     1
 ASSI {  748}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG# ))
      3.100     1.200     1.200 peak   748 weight  0.20000E+01 volume  0.10993E-02 ppm1      8.387 ppm2      2.143 CV     1
 ASSI { 1588}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB# ))
      3.800     1.800     1.800 peak  1588 weight  0.20000E+01 volume  0.32785E-03 ppm1      8.065 ppm2      1.858 CV     1
 ASSI {  573}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HG# ))
      4.800     2.900     1.200 peak   573 weight  0.20000E+01 volume  0.78500E-04 ppm1      8.066 ppm2      2.149 CV     1
 ASSI {  575}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak   575 weight  0.20000E+01 volume  0.20296E-02 ppm1      8.064 ppm2      4.538 CV     1
 ASSI {  570}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG# ))
      3.600     1.600     1.600 peak   570 weight  0.20000E+01 volume  0.46520E-03 ppm1      8.065 ppm2      1.231 CV     1
 ASSI {  571}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG# ))
      3.300     1.400     1.400 peak   571 weight  0.20000E+01 volume  0.75255E-03 ppm1      8.067 ppm2      1.406 CV     1
 ASSI {   91}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.000     0.500     0.500 peak    91 weight  0.20000E+01 volume  0.15952E-01 ppm1      8.609 ppm2      4.544 CV     1
 ASSI { 1423}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG# ))
      4.400     2.500     1.600 peak  1423 weight  0.20000E+01 volume  0.12360E-03 ppm1      8.614 ppm2      1.231 CV     1
 ASSI {  577}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.000     2.000     2.000 peak   577 weight  0.20000E+01 volume  0.25056E-03 ppm1      8.059 ppm2      8.615 CV     1
 ASSI { 1420}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB# ))
      3.200     1.200     1.200 peak  1420 weight  0.20000E+01 volume  0.95751E-03 ppm1      8.609 ppm2      3.042 CV     1
 ASSI { 1102}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  1102 weight  0.20000E+01 volume  0.21414E-02 ppm1      7.629 ppm2      6.903 CV     1
 ASSI { 1101}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.400     1.400 peak  1101 weight  0.20000E+01 volume  0.62610E-03 ppm1      7.649 ppm2      8.078 CV     1
 ASSI { 1752}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB# ))
      4.900     3.000     1.100 peak  1752 weight  0.20000E+01 volume  0.68980E-04 ppm1      7.139 ppm2      2.564 CV     1
 ASSI { 1163}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB# ))
      2.600     0.900     0.900 peak  1163 weight  0.20000E+01 volume  0.29701E-02 ppm1      9.565 ppm2      2.984 CV     1
 ASSI { 1429}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak  1429 weight  0.20000E+01 volume  0.24926E-03 ppm1      9.564 ppm2      9.367 CV     1
 ASSI { 1164}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG# ))
      2.900     1.100     1.100 peak  1164 weight  0.20000E+01 volume  0.15955E-02 ppm1      9.564 ppm2      2.458 CV     1
 ASSI { 1157}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.000     1.000 peak  1157 weight  0.20000E+01 volume  0.17813E-02 ppm1      9.563 ppm2      7.111 CV     1
 ASSI { 1024}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB# ))
      2.700     0.900     0.900 peak  1024 weight  0.20000E+01 volume  0.22713E-02 ppm1      7.124 ppm2      2.013 CV     1
 ASSI { 1660}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG# ))
      4.600     2.700     1.400 peak  1660 weight  0.20000E+01 volume  0.94685E-04 ppm1      7.120 ppm2      1.502 CV     1
 ASSI { 1017}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  1017 weight  0.20000E+01 volume  0.43734E-03 ppm1      7.119 ppm2      8.048 CV     1
 ASSI { 1307}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.300     1.300 peak  1307 weight  0.20000E+01 volume  0.88584E-03 ppm1      7.599 ppm2      3.748 CV     1
 ASSI { 1312}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak  1312 weight  0.20000E+01 volume  0.10073E-02 ppm1      7.601 ppm2      4.442 CV     1
 ASSI { 1309}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB# ))
      2.600     0.800     0.800 peak  1309 weight  0.20000E+01 volume  0.32684E-02 ppm1      7.599 ppm2      1.444 CV     1
 ASSI { 1313}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak  1313 weight  0.20000E+01 volume  0.13420E-02 ppm1      7.597 ppm2      8.863 CV     1
 ASSI {  408}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.100     0.600     0.600 peak   408 weight  0.20000E+01 volume  0.10196E-01 ppm1      7.599 ppm2      4.263 CV     1
 ASSI {  409}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB# ))
      1.900     0.500     0.500 peak   409 weight  0.20000E+01 volume  0.17977E-01 ppm1      7.599 ppm2      4.026 CV     1
 ASSI {  759}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   759 weight  0.20000E+01 volume  0.42922E-02 ppm1      7.759 ppm2      4.097 CV     1
 ASSI { 1439}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.000     2.000     2.000 peak  1439 weight  0.20000E+01 volume  0.23481E-03 ppm1      9.488 ppm2      4.447 CV     1
 ASSI { 1315}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak  1315 weight  0.20000E+01 volume  0.28631E-03 ppm1      7.601 ppm2      9.512 CV     1
 ASSI { 1367}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB# ))
      2.700     0.900     0.900 peak  1367 weight  0.20000E+01 volume  0.23414E-02 ppm1      9.497 ppm2      2.277 CV     1
 ASSI { 1363}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak  1363 weight  0.20000E+01 volume  0.33573E-02 ppm1      9.508 ppm2      7.789 CV     1
 ASSI { 1366}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA# ))
      2.400     0.700     0.700 peak  1366 weight  0.20000E+01 volume  0.55458E-02 ppm1      9.511 ppm2      3.085 CV     1
 ASSI {  456}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA# ))
      2.300     0.600     0.600 peak   456 weight  0.20000E+01 volume  0.70480E-02 ppm1      9.505 ppm2      4.075 CV     1
 ASSI { 1739}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.800     0.000 peak  1739 weight  0.20000E+01 volume  0.16358E-04 ppm1      7.602 ppm2      8.674 CV     1
 ASSI {  859}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA# ))
      2.900     1.000     1.000 peak   859 weight  0.20000E+01 volume  0.17652E-02 ppm1      8.689 ppm2      4.085 CV     1
 ASSI { 1362}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  1362 weight  0.20000E+01 volume  0.27197E-02 ppm1      9.501 ppm2      8.665 CV     1
 ASSI { 1078}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.800     1.800     1.800 peak  1078 weight  0.20000E+01 volume  0.33728E-03 ppm1      7.461 ppm2      3.171 CV     1
 ASSI {  866}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   866 weight  0.20000E+01 volume  0.27057E-02 ppm1      8.642 ppm2      7.439 CV     1
 ASSI { 1076}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak  1076 weight  0.20000E+01 volume  0.10586E-02 ppm1      7.466 ppm2      3.880 CV     1
 ASSI {  825}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA# ))
      3.700     1.700     1.700 peak   825 weight  0.20000E+01 volume  0.39553E-03 ppm1      8.302 ppm2      3.076 CV     1
 ASSI {  870}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      5.100     3.200     0.900 peak   870 weight  0.20000E+01 volume  0.56603E-04 ppm1      8.646 ppm2      8.293 CV     1
 ASSI { 1635}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG# ))
      4.500     2.500     1.500 peak  1635 weight  0.20000E+01 volume  0.11537E-03 ppm1      8.304 ppm2      1.341 CV     1
 ASSI {  161}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   161 weight  0.20000E+01 volume  0.43711E-02 ppm1      8.299 ppm2      7.461 CV     1
 ASSI {  964}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   964 weight  0.20000E+01 volume  0.13177E-02 ppm1      7.767 ppm2      3.181 CV     1
 ASSI {  965}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.900     1.900     1.900 peak   965 weight  0.20000E+01 volume  0.26060E-03 ppm1      7.761 ppm2      3.758 CV     1
 ASSI {  160}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   160 weight  0.20000E+01 volume  0.32518E-02 ppm1      8.300 ppm2      7.763 CV     1
 ASSI { 1441}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.600     1.600     1.600 peak  1441 weight  0.20000E+01 volume  0.42271E-03 ppm1      7.375 ppm2      3.773 CV     1
 ASSI {  963}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HG# ))
      2.900     1.100     1.100 peak   963 weight  0.20000E+01 volume  0.14986E-02 ppm1      7.765 ppm2      1.422 CV     1
 ASSI {  229}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   229 weight  0.20000E+01 volume  0.39282E-02 ppm1      7.765 ppm2      7.379 CV     1
 ASSI { 1135}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG# ))
      2.600     0.900     0.900 peak  1135 weight  0.20000E+01 volume  0.28831E-02 ppm1      7.378 ppm2      1.450 CV     1
 ASSI { 1443}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 22   and name HG# ))
      3.400     1.500     1.500 peak  1443 weight  0.20000E+01 volume  0.59286E-03 ppm1      7.722 ppm2      1.352 CV     1
 ASSI { 1028}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak  1028 weight  0.20000E+01 volume  0.19082E-02 ppm1      7.723 ppm2      3.965 CV     1
 ASSI { 1667}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB# ))
      2.600     0.900     0.900 peak  1667 weight  0.20000E+01 volume  0.30348E-02 ppm1      7.724 ppm2      1.750 CV     1
 ASSI {  317}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.100     0.500     0.500 peak   317 weight  0.20000E+01 volume  0.11510E-01 ppm1      7.376 ppm2      7.737 CV     1
 ASSI { 1025}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG# ))
      3.300     1.400     1.400 peak  1025 weight  0.20000E+01 volume  0.67829E-03 ppm1      7.725 ppm2      0.523 CV     1
 ASSI { 1026}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG# ))
      2.900     1.100     1.100 peak  1026 weight  0.20000E+01 volume  0.15393E-02 ppm1      7.722 ppm2      0.926 CV     1
 ASSI { 1208}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.600     1.600 peak  1208 weight  0.20000E+01 volume  0.48788E-03 ppm1      8.044 ppm2      7.379 CV     1
 ASSI { 1029}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 27   and name HE% )
      4.800     2.800     1.200 peak  1029 weight  0.20000E+01 volume  0.82828E-04 ppm1      7.722 ppm2      6.719 CV     1
 ASSI { 1212}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak  1212 weight  0.20000E+01 volume  0.20734E-02 ppm1      8.040 ppm2      3.791 CV     1
 ASSI {  364}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB# ))
      2.600     0.900     0.900 peak   364 weight  0.20000E+01 volume  0.29129E-02 ppm1      8.040 ppm2      1.223 CV     1
 ASSI {  361}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      1.900     0.500     0.500 peak   361 weight  0.20000E+01 volume  0.18019E-01 ppm1      8.040 ppm2      7.723 CV     1
 ASSI {  362}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   362 weight  0.20000E+01 volume  0.26611E-02 ppm1      8.039 ppm2      5.092 CV     1
 ASSI { 1215}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB# ))
      2.700     0.900     0.900 peak  1215 weight  0.20000E+01 volume  0.23437E-02 ppm1      8.041 ppm2      2.647 CV     1
 ASSI {  363}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB# ))
      2.500     0.800     0.800 peak   363 weight  0.20000E+01 volume  0.38897E-02 ppm1      8.041 ppm2      2.892 CV     1
 ASSI {  359}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HD% )
      2.600     0.900     0.900 peak   359 weight  0.20000E+01 volume  0.29296E-02 ppm1      8.042 ppm2      7.154 CV     1
 ASSI { 1665}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HD# ))
      4.500     2.500     1.500 peak  1665 weight  0.20000E+01 volume  0.11624E-03 ppm1      7.726 ppm2      3.281 CV     1
 ASSI { 1709}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      5.000     3.100     1.000 peak  1709 weight  0.20000E+01 volume  0.62230E-04 ppm1      8.040 ppm2      4.442 CV     1
 ASSI { 1200}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak  1200 weight  0.20000E+01 volume  0.10064E-02 ppm1      8.560 ppm2      5.094 CV     1
 ASSI { 1201}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.000     1.000 peak  1201 weight  0.20000E+01 volume  0.16928E-02 ppm1      8.560 ppm2      4.447 CV     1
 ASSI { 1203}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HD# ))
      3.200     1.200     1.200 peak  1203 weight  0.20000E+01 volume  0.97281E-03 ppm1      8.562 ppm2      3.283 CV     1
 ASSI {  355}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   355 weight  0.20000E+01 volume  0.41839E-02 ppm1      8.560 ppm2      4.674 CV     1
 ASSI {  356}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB# ))
      2.700     0.900     0.900 peak   356 weight  0.20000E+01 volume  0.27407E-02 ppm1      8.559 ppm2      2.855 CV     1
 ASSI { 1557}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HG# ))
      4.900     3.000     1.100 peak  1557 weight  0.20000E+01 volume  0.72182E-04 ppm1      8.564 ppm2      1.288 CV     1
 ASSI {  934}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   934 weight  0.20000E+01 volume  0.19737E-02 ppm1      7.800 ppm2      4.674 CV     1
 ASSI {  213}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      1.900     0.400     0.400 peak   213 weight  0.20000E+01 volume  0.20762E-01 ppm1      7.800 ppm2      8.560 CV     1
 ASSI {  215}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   215 weight  0.20000E+01 volume  0.25503E-02 ppm1      7.800 ppm2      4.903 CV     1
 ASSI {  940}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB# ))
      2.900     1.000     1.000 peak   940 weight  0.20000E+01 volume  0.17421E-02 ppm1      7.800 ppm2      1.139 CV     1
 ASSI { 1149}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB# ))
      2.800     1.000     1.000 peak  1149 weight  0.20000E+01 volume  0.20451E-02 ppm1      9.131 ppm2      1.129 CV     1
 ASSI { 1155}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      5.200     3.400     0.800 peak  1155 weight  0.20000E+01 volume  0.47170E-04 ppm1      9.150 ppm2      7.805 CV     1
 ASSI {  326}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG# )
      2.400     0.700     0.700 peak   326 weight  0.20000E+01 volume  0.44982E-02 ppm1      9.132 ppm2      0.397 CV     1
 ASSI {  660}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB# ))
      3.000     1.100     1.100 peak   660 weight  0.20000E+01 volume  0.13173E-02 ppm1      8.892 ppm2      1.857 CV     1
 ASSI {  662}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB# ))
      2.700     0.900     0.900 peak   662 weight  0.20000E+01 volume  0.24543E-02 ppm1      8.890 ppm2      1.584 CV     1
 ASSI {  497}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.800     1.000     1.000 peak   497 weight  0.20000E+01 volume  0.18182E-02 ppm1      8.776 ppm2      4.927 CV     1
 ASSI {    4}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1#))
      3.100     1.200     1.200 peak     4 weight  0.20000E+01 volume  0.11477E-02 ppm1      8.776 ppm2      0.527 CV     1
 ASSI {  541}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.700     2.700     1.300 peak   541 weight  0.20000E+01 volume  0.91829E-04 ppm1      9.116 ppm2      8.777 CV     1
 ASSI { 1459}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 34   and name HG# )
      4.800     2.800     1.200 peak  1459 weight  0.20000E+01 volume  0.83087E-04 ppm1      8.699 ppm2      0.638 CV     1
 ASSI {  141}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.100     0.500     0.500 peak   141 weight  0.20000E+01 volume  0.12039E-01 ppm1      8.699 ppm2      5.722 CV     1
 ASSI { 1460}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.400     1.600 peak  1460 weight  0.20000E+01 volume  0.13727E-03 ppm1      8.691 ppm2      9.123 CV     1
 ASSI {  783}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak   783 weight  0.20000E+01 volume  0.17171E-02 ppm1      8.700 ppm2      4.970 CV     1
 ASSI {  787}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB# ))
      3.000     1.100     1.100 peak   787 weight  0.20000E+01 volume  0.12728E-02 ppm1      8.697 ppm2      1.894 CV     1
 ASSI {  105}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.100     0.500     0.500 peak   105 weight  0.20000E+01 volume  0.11838E-01 ppm1      8.846 ppm2      4.967 CV     1
 ASSI {  106}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB# ))
      2.700     0.900     0.900 peak   106 weight  0.20000E+01 volume  0.25528E-02 ppm1      8.846 ppm2      2.275 CV     1
 ASSI {  685}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG# ))
      3.100     1.200     1.200 peak   685 weight  0.20000E+01 volume  0.10903E-02 ppm1      8.847 ppm2      2.596 CV     1
 ASSI { 1461}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.200     2.200     1.800 peak  1461 weight  0.20000E+01 volume  0.16765E-03 ppm1      8.845 ppm2      8.664 CV     1
 ASSI {  684}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.000     1.000 peak   684 weight  0.20000E+01 volume  0.16870E-02 ppm1      8.846 ppm2      3.057 CV     1
 ASSI {  687}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HG# ))
      3.100     1.200     1.200 peak   687 weight  0.20000E+01 volume  0.11834E-02 ppm1      8.848 ppm2      0.861 CV     1
 ASSI {    3}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HB% )
      2.100     0.500     0.500 peak     3 weight  0.20000E+01 volume  0.12185E-01 ppm1      8.899 ppm2      1.199 CV     1
 ASSI { 1736}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 39   and name HD# ))
      5.100     3.200     0.900 peak  1736 weight  0.20000E+01 volume  0.55738E-04 ppm1      8.068 ppm2      3.874 CV     1
 ASSI {  489}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HD# ))
      4.200     2.200     1.800 peak   489 weight  0.20000E+01 volume  0.16687E-03 ppm1      8.897 ppm2      3.828 CV     1
 ASSI { 1241}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 38   and name HB% )
      4.200     1.600     1.600 peak  1241 weight  0.20000E+01 volume  0.46079E-03 ppm1      8.435 ppm2      1.214 CV     1
 ASSI {  385}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.100     0.500     0.500 peak   385 weight  0.20000E+01 volume  0.12552E-01 ppm1      8.433 ppm2      4.228 CV     1
 ASSI { 1243}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HD# ))
      3.600     1.600     1.600 peak  1243 weight  0.20000E+01 volume  0.46374E-03 ppm1      8.436 ppm2      3.853 CV     1
 ASSI { 1242}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HD# ))
      5.000     3.100     1.000 peak  1242 weight  0.20000E+01 volume  0.62403E-04 ppm1      8.435 ppm2      3.366 CV     1
 ASSI { 1238}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG# ))
      3.200     1.300     1.300 peak  1238 weight  0.20000E+01 volume  0.87207E-03 ppm1      8.436 ppm2      2.007 CV     1
 ASSI {  386}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.000     0.500     0.500 peak   386 weight  0.20000E+01 volume  0.16261E-01 ppm1      8.434 ppm2      4.039 CV     1
 ASSI { 1464}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HD# ))
      3.700     1.700     1.700 peak  1464 weight  0.20000E+01 volume  0.35615E-03 ppm1      7.462 ppm2      1.494 CV     1
 ASSI { 1466}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HG# ))
      6.000     5.000     0.000 peak  1466 weight  0.20000E+01 volume  0.15060E-04 ppm1      7.460 ppm2      0.837 CV     1
 ASSI {  728}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   728 weight  0.20000E+01 volume  0.12436E-02 ppm1      7.464 ppm2      4.227 CV     1
 ASSI {  727}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   727 weight  0.20000E+01 volume  0.19249E-02 ppm1      7.463 ppm2      4.033 CV     1
 ASSI {  126}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak   126 weight  0.20000E+01 volume  0.35964E-02 ppm1      7.462 ppm2      8.433 CV     1
 ASSI {   60}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      2.400     0.700     0.700 peak    60 weight  0.20000E+01 volume  0.46446E-02 ppm1      9.159 ppm2      1.599 CV     1
 ASSI {  593}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     1.300     1.300 peak   593 weight  0.20000E+01 volume  0.92695E-03 ppm1      9.159 ppm2      7.465 CV     1
 ASSI {  595}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB# ))
      2.500     0.800     0.800 peak   595 weight  0.20000E+01 volume  0.37372E-02 ppm1      9.157 ppm2      2.004 CV     1
 ASSI { 1590}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HD# ))
      4.500     2.500     1.500 peak  1590 weight  0.20000E+01 volume  0.11823E-03 ppm1      9.150 ppm2      3.191 CV     1
 ASSI { 1218}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 37   and name HG# ))
      3.900     1.900     1.900 peak  1218 weight  0.20000E+01 volume  0.28588E-03 ppm1      6.926 ppm2      0.852 CV     1
 ASSI { 1734}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB# ))
      3.600     1.700     1.700 peak  1734 weight  0.20000E+01 volume  0.40514E-03 ppm1      6.933 ppm2      2.002 CV     1
 ASSI { 1217}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB# ))
      3.700     1.700     1.700 peak  1217 weight  0.20000E+01 volume  0.39163E-03 ppm1      6.935 ppm2      1.881 CV     1
 ASSI {  365}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     0.600     0.600 peak   365 weight  0.20000E+01 volume  0.72010E-02 ppm1      6.931 ppm2      9.159 CV     1
 ASSI { 1216}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.700     0.900     0.900 peak  1216 weight  0.20000E+01 volume  0.33261E-02 ppm1      6.931 ppm2      2.064 CV     1
 ASSI {  471}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      1.900     0.500     0.500 peak   471 weight  0.20000E+01 volume  0.18133E-01 ppm1      8.295 ppm2      4.443 CV     1
 ASSI {  472}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.200     0.600     0.600 peak   472 weight  0.20000E+01 volume  0.81720E-02 ppm1      8.295 ppm2      2.066 CV     1
 ASSI { 1391}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG1#))
      3.000     1.100     1.100 peak  1391 weight  0.20000E+01 volume  0.12709E-02 ppm1      8.294 ppm2      1.443 CV     1
 ASSI { 1392}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HG# )
      2.900     1.000     1.000 peak  1392 weight  0.20000E+01 volume  0.17652E-02 ppm1      8.295 ppm2      1.110 CV     1
 ASSI { 1388}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak  1388 weight  0.20000E+01 volume  0.78016E-03 ppm1      8.298 ppm2      6.929 CV     1
 ASSI {  469}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA# ))
      2.000     0.500     0.500 peak   469 weight  0.20000E+01 volume  0.15774E-01 ppm1      8.296 ppm2      3.865 CV     1
 ASSI {  683}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak   683 weight  0.20000E+01 volume  0.56594E-03 ppm1      8.849 ppm2      4.768 CV     1
 ASSI { 1472}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 37   and name HD# ))
      5.400     3.700     0.600 peak  1472 weight  0.20000E+01 volume  0.37995E-04 ppm1      8.299 ppm2      1.474 CV     1
 ASSI { 1389}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.300     2.300     1.700 peak  1389 weight  0.20000E+01 volume  0.15778E-03 ppm1      8.302 ppm2      4.770 CV     1
 ASSI { 1668}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA# ))
      2.900     1.100     1.100 peak  1668 weight  0.20000E+01 volume  0.15925E-02 ppm1      8.303 ppm2      3.861 CV     1
 ASSI {  262}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA# ))
      1.800     0.400     0.400 peak   262 weight  0.20000E+01 volume  0.25103E-01 ppm1      8.304 ppm2      4.086 CV     1
 ASSI {  265}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB# ))
      2.000     0.500     0.500 peak   265 weight  0.20000E+01 volume  0.14812E-01 ppm1      8.304 ppm2      2.529 CV     1
 ASSI {  112}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.000     0.500     0.500 peak   112 weight  0.20000E+01 volume  0.13811E-01 ppm1      8.118 ppm2      4.770 CV     1
 ASSI {  703}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB# ))
      3.100     1.200     1.200 peak   703 weight  0.20000E+01 volume  0.10557E-02 ppm1      8.118 ppm2      2.527 CV     1
 ASSI { 1032}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.400     1.400 peak  1032 weight  0.20000E+01 volume  0.64479E-03 ppm1      8.306 ppm2      8.123 CV     1
 ASSI {  707}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HD# )
      2.700     0.900     0.900 peak   707 weight  0.20000E+01 volume  0.22794E-02 ppm1      8.120 ppm2      0.961 CV     1
 ASSI {  721}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HD# )
      3.800     1.800     1.800 peak   721 weight  0.20000E+01 volume  0.30942E-03 ppm1      8.688 ppm2      0.878 CV     1
 ASSI {  716}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.300     2.300     1.700 peak   716 weight  0.20000E+01 volume  0.15163E-03 ppm1      8.684 ppm2      8.114 CV     1
 ASSI {  718}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB# ))
      2.600     0.800     0.800 peak   718 weight  0.20000E+01 volume  0.30495E-02 ppm1      8.686 ppm2      2.800 CV     1
 ASSI {  852}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 46   and name HD# )
      2.800     1.000     1.000 peak   852 weight  0.20000E+01 volume  0.18870E-02 ppm1      7.439 ppm2      0.962 CV     1
 ASSI {  853}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 46   and name HD# )
      3.400     1.500     1.500 peak   853 weight  0.20000E+01 volume  0.57045E-03 ppm1      7.440 ppm2      0.898 CV     1
 ASSI {  700}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.400     2.400     1.600 peak   700 weight  0.20000E+01 volume  0.13337E-03 ppm1      8.115 ppm2      7.444 CV     1
 ASSI {  849}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   849 weight  0.20000E+01 volume  0.20783E-02 ppm1      7.438 ppm2      4.403 CV     1
 ASSI {  850}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB# ))
      3.000     1.100     1.100 peak   850 weight  0.20000E+01 volume  0.12911E-02 ppm1      7.437 ppm2      2.798 CV     1
 ASSI {  717}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak   717 weight  0.20000E+01 volume  0.22498E-02 ppm1      8.687 ppm2      7.433 CV     1
 ASSI {  848}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   848 weight  0.20000E+01 volume  0.40845E-02 ppm1      7.439 ppm2      4.504 CV     1
 ASSI {  184}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB# ))
      2.400     0.700     0.700 peak   184 weight  0.20000E+01 volume  0.44908E-02 ppm1      7.439 ppm2      1.644 CV     1
 ASSI { 1640}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HD# ))
      5.000     3.100     1.000 peak  1640 weight  0.20000E+01 volume  0.64566E-04 ppm1      7.440 ppm2      1.498 CV     1
 ASSI { 1641}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HD# ))
      4.400     2.400     1.600 peak  1641 weight  0.20000E+01 volume  0.13865E-03 ppm1      7.449 ppm2      1.403 CV     1
 ASSI {  851}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG# ))
      4.000     2.000     2.000 peak   851 weight  0.20000E+01 volume  0.24701E-03 ppm1      7.440 ppm2      1.148 CV     1
 ASSI {  854}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG# ))
      3.800     1.800     1.800 peak   854 weight  0.20000E+01 volume  0.33824E-03 ppm1      7.446 ppm2      0.727 CV     1
 ASSI {  932}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 34   and name HD# )
      4.700     2.800     1.300 peak   932 weight  0.20000E+01 volume  0.83953E-04 ppm1      6.999 ppm2     -0.569 CV     1
 ASSI {  927}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.800     1.800     1.800 peak   927 weight  0.20000E+01 volume  0.54172E-03 ppm1      6.991 ppm2      4.495 CV     1
 ASSI { 1478}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HD# ))
      3.500     1.500     1.500 peak  1478 weight  0.20000E+01 volume  0.52960E-03 ppm1      6.983 ppm2      1.512 CV     1
 ASSI {  925}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.700     1.700     1.700 peak   925 weight  0.20000E+01 volume  0.39761E-03 ppm1      6.977 ppm2      8.641 CV     1
 ASSI {  926}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.900     0.900 peak   926 weight  0.20000E+01 volume  0.28361E-02 ppm1      6.991 ppm2      5.093 CV     1
 ASSI {  929}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG# ))
      3.700     1.700     1.700 peak   929 weight  0.20000E+01 volume  0.38609E-03 ppm1      6.986 ppm2      1.006 CV     1
 ASSI {  659}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 51   and name HB# ))
      4.700     2.800     1.300 peak   659 weight  0.20000E+01 volume  0.84299E-04 ppm1      8.898 ppm2      2.645 CV     1
 ASSI {  649}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.100     1.100 peak   649 weight  0.20000E+01 volume  0.13168E-02 ppm1      8.891 ppm2      9.498 CV     1
 ASSI {  581}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.200     1.200 peak   581 weight  0.20000E+01 volume  0.11951E-02 ppm1      9.504 ppm2      4.930 CV     1
 ASSI {  542}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      4.000     2.000     2.000 peak   542 weight  0.20000E+01 volume  0.23144E-03 ppm1      9.124 ppm2      7.055 CV     1
 ASSI {  588}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG# ))
      3.700     1.700     1.700 peak   588 weight  0.20000E+01 volume  0.35017E-03 ppm1      9.503 ppm2      1.003 CV     1
 ASSI {   52}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.700     1.700 peak    52 weight  0.20000E+01 volume  0.35434E-03 ppm1      9.499 ppm2      6.952 CV     1
 ASSI {  582}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   582 weight  0.20000E+01 volume  0.15885E-02 ppm1      9.502 ppm2      4.461 CV     1
 ASSI {  579}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      2.900     1.000     1.000 peak   579 weight  0.20000E+01 volume  0.16203E-02 ppm1      9.501 ppm2      7.057 CV     1
 ASSI {  670}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 52   and name HD# )
      3.500     1.500     1.500 peak   670 weight  0.20000E+01 volume  0.55288E-03 ppm1      8.891 ppm2      0.473 CV     1
 ASSI {  606}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB# ))
      2.900     1.000     1.000 peak   606 weight  0.20000E+01 volume  0.17462E-02 ppm1      8.598 ppm2      2.820 CV     1
 ASSI {  607}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB# ))
      3.100     1.200     1.200 peak   607 weight  0.20000E+01 volume  0.11676E-02 ppm1      8.594 ppm2      2.647 CV     1
 ASSI {  603}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.500     0.000 peak   603 weight  0.20000E+01 volume  0.20339E-04 ppm1      8.594 ppm2      9.501 CV     1
 ASSI {  608}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB# ))
      2.700     0.900     0.900 peak   608 weight  0.20000E+01 volume  0.22605E-02 ppm1      8.594 ppm2      1.319 CV     1
 ASSI {  609}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.600     2.600     1.400 peak   609 weight  0.20000E+01 volume  0.10697E-03 ppm1      8.599 ppm2      1.066 CV     1
 ASSI {  325}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.800     1.800     1.800 peak   325 weight  0.20000E+01 volume  0.30042E-03 ppm1      9.129 ppm2      4.780 CV     1
 ASSI { 1156}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak  1156 weight  0.20000E+01 volume  0.20985E-02 ppm1      9.128 ppm2      8.405 CV     1
 ASSI {  815}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.800     2.900     1.200 peak   815 weight  0.20000E+01 volume  0.74866E-04 ppm1      8.408 ppm2      8.892 CV     1
 ASSI {  157}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.500     0.500 peak   157 weight  0.20000E+01 volume  0.11744E-01 ppm1      8.405 ppm2      4.859 CV     1
 ASSI {  819}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB# ))
      3.100     1.200     1.200 peak   819 weight  0.20000E+01 volume  0.10728E-02 ppm1      8.407 ppm2      1.340 CV     1
 ASSI {  602}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.100     2.100     1.900 peak   602 weight  0.20000E+01 volume  0.21499E-03 ppm1      8.593 ppm2      8.407 CV     1
 ASSI {  158}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HG# )
      2.200     0.600     0.600 peak   158 weight  0.20000E+01 volume  0.80143E-02 ppm1      8.405 ppm2      0.560 CV     1
 ASSI { 1085}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      5.100     3.200     0.900 peak  1085 weight  0.20000E+01 volume  0.57036E-04 ppm1      8.352 ppm2      4.670 CV     1
 ASSI { 1682}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 29   and name HB# ))
      5.100     3.300     0.900 peak  1682 weight  0.20000E+01 volume  0.53141E-04 ppm1      8.356 ppm2      2.862 CV     1
 ASSI {  292}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   292 weight  0.20000E+01 volume  0.27393E-02 ppm1      8.351 ppm2      4.904 CV     1
 ASSI { 1680}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 30   and name HB# ))
      4.200     2.200     1.800 peak  1680 weight  0.20000E+01 volume  0.16574E-03 ppm1      8.353 ppm2      1.120 CV     1
 ASSI { 1092}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 30   and name HG# ))
      4.100     2.100     1.900 peak  1092 weight  0.20000E+01 volume  0.19846E-03 ppm1      8.352 ppm2      1.278 CV     1
 ASSI { 1684}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     5.200     0.000 peak  1684 weight  0.20000E+01 volume  0.13329E-04 ppm1      8.347 ppm2      7.782 CV     1
 ASSI { 1093}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 31   and name HG# )
      3.200     1.300     1.300 peak  1093 weight  0.20000E+01 volume  0.84446E-03 ppm1      8.351 ppm2      0.396 CV     1
 ASSI { 1082}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.500     1.600     1.600 peak  1082 weight  0.20000E+01 volume  0.48580E-03 ppm1      8.351 ppm2      9.133 CV     1
 ASSI {  293}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.100     0.500     0.500 peak   293 weight  0.20000E+01 volume  0.11604E-01 ppm1      8.351 ppm2      4.479 CV     1
 ASSI { 1479}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HD# ))
      4.300     2.300     1.700 peak  1479 weight  0.20000E+01 volume  0.15856E-03 ppm1      8.350 ppm2      3.548 CV     1
 ASSI { 1681}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG# ))
      5.200     3.400     0.800 peak  1681 weight  0.20000E+01 volume  0.49160E-04 ppm1      8.349 ppm2      2.239 CV     1
 ASSI { 1195}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB# ))
      2.600     0.900     0.900 peak  1195 weight  0.20000E+01 volume  0.28067E-02 ppm1      8.260 ppm2      1.990 CV     1
 ASSI {  345}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.300     0.600     0.600 peak   345 weight  0.20000E+01 volume  0.72208E-02 ppm1      8.259 ppm2      8.361 CV     1
 ASSI {  348}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.400     0.700     0.700 peak   348 weight  0.20000E+01 volume  0.50220E-02 ppm1      8.260 ppm2      4.535 CV     1
 ASSI {  350}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB# ))
      2.600     0.900     0.900 peak   350 weight  0.20000E+01 volume  0.28915E-02 ppm1      8.260 ppm2      2.790 CV     1
 ASSI { 1610}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HD# ))
      4.900     3.000     1.100 peak  1610 weight  0.20000E+01 volume  0.67249E-04 ppm1      7.442 ppm2      3.563 CV     1
 ASSI { 1613}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HG# ))
      4.500     2.500     1.500 peak  1613 weight  0.20000E+01 volume  0.12169E-03 ppm1      7.447 ppm2      2.232 CV     1
 ASSI {  677}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.700     1.700     1.700 peak   677 weight  0.20000E+01 volume  0.38376E-03 ppm1      7.445 ppm2      3.712 CV     1
 ASSI { 1083}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.800     1.800     1.800 peak  1083 weight  0.20000E+01 volume  0.31002E-03 ppm1      8.350 ppm2      7.448 CV     1
 ASSI { 1480}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.300     2.300     1.700 peak  1480 weight  0.20000E+01 volume  0.14947E-03 ppm1      8.256 ppm2      4.267 CV     1
 ASSI { 1194}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HB# ))
      4.400     2.400     1.600 peak  1194 weight  0.20000E+01 volume  0.12826E-03 ppm1      8.260 ppm2      1.714 CV     1
 ASSI { 1193}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HB# ))
      4.400     2.400     1.600 peak  1193 weight  0.20000E+01 volume  0.13224E-03 ppm1      8.262 ppm2      1.474 CV     1
 ASSI {  676}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   676 weight  0.20000E+01 volume  0.16198E-02 ppm1      7.448 ppm2      4.527 CV     1
 ASSI { 1611}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB# ))
      6.000     4.800     0.000 peak  1611 weight  0.20000E+01 volume  0.16877E-04 ppm1      7.451 ppm2      2.790 CV     1
 ASSI {  347}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.000     0.500     0.500 peak   347 weight  0.20000E+01 volume  0.13681E-01 ppm1      8.259 ppm2      7.449 CV     1
 ASSI {   96}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB# ))
      2.000     0.500     0.500 peak    96 weight  0.20000E+01 volume  0.13675E-01 ppm1      7.449 ppm2      1.708 CV     1
 ASSI {   97}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB# ))
      2.000     0.500     0.500 peak    97 weight  0.20000E+01 volume  0.15450E-01 ppm1      7.449 ppm2      1.480 CV     1
 ASSI {  679}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HD# )
      3.000     1.100     1.100 peak   679 weight  0.20000E+01 volume  0.14413E-02 ppm1      7.449 ppm2      0.991 CV     1
 ASSI { 1144}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB# ))
      3.800     1.800     1.800 peak  1144 weight  0.20000E+01 volume  0.31365E-03 ppm1      8.722 ppm2      1.709 CV     1
 ASSI { 1146}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HD# )
      2.600     0.800     0.800 peak  1146 weight  0.20000E+01 volume  0.31754E-02 ppm1      8.724 ppm2      0.991 CV     1
 ASSI {  322}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG  ))
      2.500     0.800     0.800 peak   322 weight  0.20000E+01 volume  0.39522E-02 ppm1      8.725 ppm2      2.030 CV     1
 ASSI {  673}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.800     1.900     1.900 peak   673 weight  0.20000E+01 volume  0.29453E-03 ppm1      7.450 ppm2      8.726 CV     1
 ASSI { 1143}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     0.900     0.900 peak  1143 weight  0.20000E+01 volume  0.21895E-02 ppm1      8.722 ppm2      4.989 CV     1
 ASSI {  323}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG# )
      2.100     0.500     0.500 peak   323 weight  0.20000E+01 volume  0.12810E-01 ppm1      8.723 ppm2      1.264 CV     1
 ASSI {  117}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.200     0.600     0.600 peak   117 weight  0.20000E+01 volume  0.76406E-02 ppm1      9.105 ppm2      4.982 CV     1
 ASSI { 1140}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      5.100     3.200     0.900 peak  1140 weight  0.20000E+01 volume  0.55478E-04 ppm1      8.723 ppm2      9.114 CV     1
 ASSI {  715}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HG# )
      2.900     1.000     1.000 peak   715 weight  0.20000E+01 volume  0.17643E-02 ppm1      9.102 ppm2      0.858 CV     1
 ASSI {  120}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HG# )
      2.300     0.600     0.600 peak   120 weight  0.20000E+01 volume  0.69978E-02 ppm1      9.105 ppm2      0.953 CV     1
 ASSI { 1405}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.300     1.400     1.400 peak  1405 weight  0.20000E+01 volume  0.68911E-03 ppm1      8.922 ppm2      4.989 CV     1
 ASSI {  477}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak   477 weight  0.20000E+01 volume  0.35067E-02 ppm1      8.924 ppm2      4.812 CV     1
 ASSI { 1407}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.400     1.400     1.400 peak  1407 weight  0.20000E+01 volume  0.64393E-03 ppm1      8.929 ppm2      3.677 CV     1
 ASSI { 1428}
   (( segid "    " and resid 61   and name HE22))
   (( segid "    " and resid 56   and name HN  ))
      4.400     2.400     1.600 peak  1428 weight  0.20000E+01 volume  0.13207E-03 ppm1      6.885 ppm2      8.288 CV     1
 ASSI { 1532}
   (( segid "    " and resid 61   and name HE21))
   (( segid "    " and resid 57   and name HB# ))
      4.500     2.600     1.500 peak  1532 weight  0.20000E+01 volume  0.10957E-03 ppm1      7.593 ppm2      1.730 CV     1
 ASSI { 1426}
   (( segid "    " and resid 61   and name HE22))
   (( segid "    " and resid 57   and name HB# ))
      5.300     3.600     0.700 peak  1426 weight  0.20000E+01 volume  0.41544E-04 ppm1      6.875 ppm2      1.721 CV     1
 ASSI { 1335}
   (( segid "    " and resid 61   and name HE22))
   (  segid "    " and resid 57   and name HD# )
      4.300     2.300     1.700 peak  1335 weight  0.20000E+01 volume  0.14376E-03 ppm1      6.865 ppm2      0.989 CV     1
 ASSI {  775}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 57   and name HD# )
      3.500     1.500     1.500 peak   775 weight  0.20000E+01 volume  0.50753E-03 ppm1      8.111 ppm2      0.987 CV     1
 ASSI {  147}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 57   and name HG  ))
      3.500     1.500     1.500 peak   147 weight  0.20000E+01 volume  0.52761E-03 ppm1      8.111 ppm2      1.995 CV     1
 ASSI { 1334}
   (( segid "    " and resid 61   and name HE22))
   (  segid "    " and resid 58   and name HG# )
      3.400     1.500     1.500 peak  1334 weight  0.20000E+01 volume  0.57477E-03 ppm1      6.885 ppm2      1.276 CV     1
 ASSI { 1689}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 61   and name HE22))
      5.000     3.200     1.000 peak  1689 weight  0.20000E+01 volume  0.58681E-04 ppm1      8.723 ppm2      6.853 CV     1
 ASSI {  766}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.300     1.300     1.300 peak   766 weight  0.20000E+01 volume  0.80604E-03 ppm1      8.111 ppm2      8.730 CV     1
 ASSI { 1632}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.300     2.300     1.700 peak  1632 weight  0.20000E+01 volume  0.15553E-03 ppm1      8.107 ppm2      3.679 CV     1
 ASSI {  709}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      5.400     3.700     0.600 peak   709 weight  0.20000E+01 volume  0.37390E-04 ppm1      9.113 ppm2      8.126 CV     1
 ASSI {  771}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA# ))
      3.100     1.200     1.200 peak   771 weight  0.20000E+01 volume  0.11625E-02 ppm1      8.112 ppm2      3.932 CV     1
 ASSI {  770}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA# ))
      3.000     1.100     1.100 peak   770 weight  0.20000E+01 volume  0.14264E-02 ppm1      8.110 ppm2      4.091 CV     1
 ASSI { 1403}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.100     1.100 peak  1403 weight  0.20000E+01 volume  0.15853E-02 ppm1      8.925 ppm2      8.109 CV     1
 ASSI {  145}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   145 weight  0.20000E+01 volume  0.26881E-02 ppm1      8.110 ppm2      4.271 CV     1
 ASSI { 1456}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 62   and name HZ  ))
      5.700     4.100     0.300 peak  1456 weight  0.20000E+01 volume  0.27696E-04 ppm1      8.781 ppm2      6.231 CV     1
 ASSI {  559}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 57   and name HD# )
      2.800     1.000     1.000 peak   559 weight  0.20000E+01 volume  0.19405E-02 ppm1      8.864 ppm2      0.982 CV     1
 ASSI { 1585}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 57   and name HG  ))
      3.600     1.600     1.600 peak  1585 weight  0.20000E+01 volume  0.47274E-03 ppm1      8.862 ppm2      2.033 CV     1
 ASSI {  773}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB# ))
      4.000     2.000     2.000 peak   773 weight  0.20000E+01 volume  0.21958E-03 ppm1      8.115 ppm2      3.143 CV     1
 ASSI {  772}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB# ))
      5.000     3.100     1.000 peak   772 weight  0.20000E+01 volume  0.63094E-04 ppm1      8.110 ppm2      3.258 CV     1
 ASSI {  561}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB# ))
      2.800     1.000     1.000 peak   561 weight  0.20000E+01 volume  0.18637E-02 ppm1      8.861 ppm2      2.529 CV     1
 ASSI {   44}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.500     0.800     0.800 peak    44 weight  0.20000E+01 volume  0.37175E-02 ppm1      8.860 ppm2      8.111 CV     1
 ASSI {   46}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB# ))
      2.000     0.500     0.500 peak    46 weight  0.20000E+01 volume  0.14985E-01 ppm1      8.861 ppm2      3.134 CV     1
 ASSI {   45}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB# ))
      2.300     0.700     0.700 peak    45 weight  0.20000E+01 volume  0.67292E-02 ppm1      8.862 ppm2      3.261 CV     1
 ASSI { 1054}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  1054 weight  0.20000E+01 volume  0.38609E-03 ppm1      9.119 ppm2      3.685 CV     1
 ASSI { 1069}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.200     2.200     1.800 peak  1069 weight  0.20000E+01 volume  0.18443E-03 ppm1      9.116 ppm2      8.108 CV     1
 ASSI { 1052}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB# ))
      2.400     0.700     0.700 peak  1052 weight  0.20000E+01 volume  0.53372E-02 ppm1      9.118 ppm2      3.258 CV     1
 ASSI {   42}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak    42 weight  0.20000E+01 volume  0.36199E-02 ppm1      8.861 ppm2      9.122 CV     1
 ASSI { 1061}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      2.700     0.900     0.900 peak  1061 weight  0.20000E+01 volume  0.24447E-02 ppm1      9.118 ppm2      6.298 CV     1
 ASSI { 1060}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HE% )
      6.000     4.500     0.000 peak  1060 weight  0.20000E+01 volume  0.19907E-04 ppm1      9.115 ppm2      6.132 CV     1
 ASSI { 1114}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.300     1.300     1.300 peak  1114 weight  0.20000E+01 volume  0.78111E-03 ppm1      7.370 ppm2      4.269 CV     1
 ASSI {  568}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.300     2.300     1.700 peak   568 weight  0.20000E+01 volume  0.15752E-03 ppm1      8.861 ppm2      7.370 CV     1
 ASSI {  306}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB# ))
      2.700     0.900     0.900 peak   306 weight  0.20000E+01 volume  0.25615E-02 ppm1      7.368 ppm2      2.736 CV     1
 ASSI { 1116}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      3.000     1.100     1.100 peak  1116 weight  0.20000E+01 volume  0.12893E-02 ppm1      7.371 ppm2      6.299 CV     1
 ASSI {  275}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.900     0.900 peak   275 weight  0.20000E+01 volume  0.28595E-02 ppm1      9.117 ppm2      7.368 CV     1
 ASSI {  303}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB# ))
      2.200     0.600     0.600 peak   303 weight  0.20000E+01 volume  0.86077E-02 ppm1      7.369 ppm2      3.284 CV     1
 ASSI { 1645}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.600     2.600     1.400 peak  1645 weight  0.20000E+01 volume  0.10299E-03 ppm1      7.572 ppm2      4.271 CV     1
 ASSI {  874}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.900     1.000     1.000 peak   874 weight  0.20000E+01 volume  0.16339E-02 ppm1      7.572 ppm2      4.459 CV     1
 ASSI { 1484}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      5.200     3.300     0.800 peak  1484 weight  0.20000E+01 volume  0.49853E-04 ppm1      9.119 ppm2      7.565 CV     1
 ASSI {  875}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.500     1.600     1.600 peak   875 weight  0.20000E+01 volume  0.49549E-03 ppm1      7.572 ppm2      4.023 CV     1
 ASSI {  190}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB# ))
      1.900     0.400     0.400 peak   190 weight  0.20000E+01 volume  0.21079E-01 ppm1      7.572 ppm2      1.804 CV     1
 ASSI {  878}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD# )
      3.300     1.400     1.400 peak   878 weight  0.20000E+01 volume  0.68521E-03 ppm1      7.571 ppm2      0.843 CV     1
 ASSI {  880}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HG1#))
      4.300     2.300     1.700 peak   880 weight  0.20000E+01 volume  0.14851E-03 ppm1      7.569 ppm2      0.411 CV     1
 ASSI {  186}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.300     0.600     0.600 peak   186 weight  0.20000E+01 volume  0.68538E-02 ppm1      7.572 ppm2      7.820 CV     1
 ASSI {  204}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG1#))
      2.200     0.600     0.600 peak   204 weight  0.20000E+01 volume  0.75117E-02 ppm1      7.818 ppm2      0.687 CV     1
 ASSI {  914}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG1#))
      2.700     0.900     0.900 peak   914 weight  0.20000E+01 volume  0.26738E-02 ppm1      7.820 ppm2      0.429 CV     1
 ASSI { 1040}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak  1040 weight  0.20000E+01 volume  0.17034E-02 ppm1      8.535 ppm2      4.021 CV     1
 ASSI {  872}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.000     2.000     2.000 peak   872 weight  0.20000E+01 volume  0.22520E-03 ppm1      7.574 ppm2      8.533 CV     1
 ASSI { 1673}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG1#))
      4.200     2.200     1.800 peak  1673 weight  0.20000E+01 volume  0.17889E-03 ppm1      8.539 ppm2      0.684 CV     1
 ASSI { 1034}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HG# )
      3.000     1.200     1.200 peak  1034 weight  0.20000E+01 volume  0.12054E-02 ppm1      8.537 ppm2      0.357 CV     1
 ASSI {  255}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.300     0.600     0.600 peak   255 weight  0.20000E+01 volume  0.71072E-02 ppm1      8.535 ppm2      7.817 CV     1
 ASSI {  259}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB# ))
      1.900     0.400     0.400 peak   259 weight  0.20000E+01 volume  0.22738E-01 ppm1      8.536 ppm2      1.619 CV     1
 ASSI { 1037}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG# ))
      2.900     1.100     1.100 peak  1037 weight  0.20000E+01 volume  0.15824E-02 ppm1      8.535 ppm2      1.161 CV     1
 ASSI { 1184}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.100     1.100 peak  1184 weight  0.20000E+01 volume  0.15240E-02 ppm1      7.345 ppm2      3.397 CV     1
 ASSI { 1188}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG# ))
      3.600     1.600     1.600 peak  1188 weight  0.20000E+01 volume  0.46529E-03 ppm1      7.350 ppm2      1.166 CV     1
 ASSI {  341} { symcalib c3704}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   341 weight  0.20000E+01 volume  0.13163E-01 ppm1      7.345 ppm2      3.995 CV     1
 ASSI {  239}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.500     1.500 peak   239 weight  0.20000E+01 volume  0.58715E-03 ppm1      7.524 ppm2      3.918 CV     1
 ASSI { 1001}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 66   and name HD# )
      4.200     2.200     1.800 peak  1001 weight  0.20000E+01 volume  0.18608E-03 ppm1      7.531 ppm2     -0.127 CV     1
 ASSI { 1002}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 66   and name HG# )
      5.000     3.200     1.000 peak  1002 weight  0.20000E+01 volume  0.58854E-04 ppm1      7.528 ppm2      0.358 CV     1
 ASSI { 1012}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.500     2.600     1.500 peak  1012 weight  0.20000E+01 volume  0.10966E-03 ppm1      7.523 ppm2      8.536 CV     1
 ASSI { 1007}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HD# ))
      3.200     1.200     1.200 peak  1007 weight  0.20000E+01 volume  0.96660E-03 ppm1      7.525 ppm2      3.283 CV     1
 ASSI {  240}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG# ))
      2.200     0.600     0.600 peak   240 weight  0.20000E+01 volume  0.79369E-02 ppm1      7.526 ppm2      1.904 CV     1
 ASSI { 1390}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      2.700     0.900     0.900 peak  1390 weight  0.20000E+01 volume  0.25431E-02 ppm1      8.294 ppm2      1.754 CV     1
 ASSI { 1033}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 70   and name HG# )
      4.900     3.000     1.100 peak  1033 weight  0.20000E+01 volume  0.71144E-04 ppm1      8.308 ppm2      0.736 CV     1
 ASSI { 1475}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 70   and name HG# )
      4.900     3.000     1.100 peak  1475 weight  0.20000E+01 volume  0.68634E-04 ppm1      8.689 ppm2      0.747 CV     1
 ASSI { 1255}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 66   and name HG# )
      3.900     1.900     1.900 peak  1255 weight  0.20000E+01 volume  0.29037E-03 ppm1      7.491 ppm2      0.362 CV     1
 ASSI {  394}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak   394 weight  0.20000E+01 volume  0.31680E-02 ppm1      7.492 ppm2      4.184 CV     1
 ASSI { 1256}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD# )
      2.900     1.000     1.000 peak  1256 weight  0.20000E+01 volume  0.17536E-02 ppm1      7.493 ppm2      0.457 CV     1
 ASSI { 1172}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG1#))
      3.400     1.500     1.500 peak  1172 weight  0.20000E+01 volume  0.59763E-03 ppm1      7.496 ppm2      1.330 CV     1
 ASSI { 1173}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG1#))
      3.500     1.500     1.500 peak  1173 weight  0.20000E+01 volume  0.50597E-03 ppm1      7.499 ppm2      0.926 CV     1
 ASSI { 1174}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HG# )
      3.700     1.700     1.700 peak  1174 weight  0.20000E+01 volume  0.38160E-03 ppm1      7.499 ppm2      0.736 CV     1
 ASSI { 1175}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB# ))
      2.900     1.100     1.100 peak  1175 weight  0.20000E+01 volume  0.15061E-02 ppm1      7.502 ppm2      3.469 CV     1
 ASSI { 1178}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD# ))
      4.600     2.600     1.400 peak  1178 weight  0.20000E+01 volume  0.10179E-03 ppm1      7.500 ppm2      7.121 CV     1
 ASSI {  936}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.000     1.000 peak   936 weight  0.20000E+01 volume  0.17003E-02 ppm1      7.802 ppm2      3.402 CV     1
 ASSI {  935}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak   935 weight  0.20000E+01 volume  0.57434E-03 ppm1      7.802 ppm2      4.004 CV     1
 ASSI { 1263}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  1263 weight  0.20000E+01 volume  0.24226E-03 ppm1      7.489 ppm2      7.806 CV     1
 ASSI {  221}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.000     0.500     0.500 peak   221 weight  0.20000E+01 volume  0.13504E-01 ppm1      7.802 ppm2      4.215 CV     1
 ASSI {  941}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HD# )
      2.600     0.900     0.900 peak   941 weight  0.20000E+01 volume  0.29226E-02 ppm1      7.801 ppm2      0.873 CV     1
 ASSI {  689}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HD# )
      2.800     1.000     1.000 peak   689 weight  0.20000E+01 volume  0.18457E-02 ppm1      9.116 ppm2      0.876 CV     1
 ASSI {  697}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.800     1.800     1.800 peak   697 weight  0.20000E+01 volume  0.31297E-03 ppm1      9.119 ppm2      7.800 CV     1
 ASSI {  110}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG# ))
      2.300     0.700     0.700 peak   110 weight  0.20000E+01 volume  0.58815E-02 ppm1      9.116 ppm2      1.759 CV     1
 ASSI {  600}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB# ))
      4.200     2.200     1.800 peak   600 weight  0.20000E+01 volume  0.18107E-03 ppm1      8.765 ppm2      2.111 CV     1
 ASSI {  601}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HB% )
      3.100     1.200     1.200 peak   601 weight  0.20000E+01 volume  0.11619E-02 ppm1      8.762 ppm2      1.391 CV     1
 ASSI { 1329}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.100     2.100     1.900 peak  1329 weight  0.20000E+01 volume  0.20953E-03 ppm1      8.805 ppm2      4.358 CV     1
 ASSI { 1322}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HB# ))
      2.900     1.000     1.000 peak  1322 weight  0.20000E+01 volume  0.16977E-02 ppm1      8.801 ppm2      1.662 CV     1
 ASSI { 1723}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HD# ))
      5.000     3.100     1.000 peak  1723 weight  0.20000E+01 volume  0.61710E-04 ppm1      8.809 ppm2      3.211 CV     1
 ASSI { 1331}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.500     1.500     1.500 peak  1331 weight  0.20000E+01 volume  0.51454E-03 ppm1      8.802 ppm2      9.119 CV     1
 ASSI { 1328}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak  1328 weight  0.20000E+01 volume  0.11033E-02 ppm1      8.800 ppm2      3.855 CV     1
 ASSI {  436}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HB% )
      2.500     0.800     0.800 peak   436 weight  0.20000E+01 volume  0.38645E-02 ppm1      8.799 ppm2      1.389 CV     1
 ASSI {  435}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB# ))
      2.200     0.600     0.600 peak   435 weight  0.20000E+01 volume  0.81283E-02 ppm1      8.800 ppm2      1.994 CV     1
 ASSI {  419}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG# ))
      2.600     0.800     0.800 peak   419 weight  0.20000E+01 volume  0.31198E-02 ppm1      8.799 ppm2      2.210 CV     1
 ASSI { 1634}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.200     1.800 peak  1634 weight  0.20000E+01 volume  0.16609E-03 ppm1      7.472 ppm2      4.509 CV     1
 ASSI {  806}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 72   and name HD# )
      3.600     1.600     1.600 peak   806 weight  0.20000E+01 volume  0.43214E-03 ppm1      7.473 ppm2      0.875 CV     1
 ASSI {  692}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB# ))
      3.000     1.100     1.100 peak   692 weight  0.20000E+01 volume  0.12521E-02 ppm1      9.116 ppm2      2.756 CV     1
 ASSI {  693}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB# ))
      2.900     1.000     1.000 peak   693 weight  0.20000E+01 volume  0.16389E-02 ppm1      9.117 ppm2      2.849 CV     1
 ASSI {  155}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HG# ))
      5.100     3.200     0.900 peak   155 weight  0.20000E+01 volume  0.55392E-04 ppm1      7.473 ppm2      1.769 CV     1
 ASSI {  696}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak   696 weight  0.20000E+01 volume  0.62108E-03 ppm1      9.113 ppm2      7.473 CV     1
 ASSI {  812}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      4.400     2.500     1.600 peak   812 weight  0.20000E+01 volume  0.12342E-03 ppm1      7.472 ppm2      3.856 CV     1
 ASSI {  813}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak   813 weight  0.20000E+01 volume  0.12850E-02 ppm1      7.474 ppm2      4.098 CV     1
 ASSI {  809}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB# ))
      3.000     1.100     1.100 peak   809 weight  0.20000E+01 volume  0.13152E-02 ppm1      7.473 ppm2      1.985 CV     1
 ASSI {  149}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak   149 weight  0.20000E+01 volume  0.60925E-02 ppm1      7.471 ppm2      8.798 CV     1
 ASSI {  152}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak   152 weight  0.20000E+01 volume  0.37073E-02 ppm1      7.472 ppm2      4.639 CV     1
 ASSI {  154}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB# ))
      2.000     0.500     0.500 peak   154 weight  0.20000E+01 volume  0.13482E-01 ppm1      7.472 ppm2      2.757 CV     1
 ASSI {  153}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB# ))
      2.200     0.600     0.600 peak   153 weight  0.20000E+01 volume  0.88071E-02 ppm1      7.472 ppm2      2.846 CV     1
 ASSI { 1570}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.300     2.300     1.700 peak  1570 weight  0.20000E+01 volume  0.15120E-03 ppm1      8.475 ppm2      4.464 CV     1
 ASSI {  522}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 72   and name HD# )
      3.400     1.500     1.500 peak   522 weight  0.20000E+01 volume  0.59027E-03 ppm1      8.475 ppm2      0.848 CV     1
 ASSI {   20}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      1.900     0.400     0.400 peak    20 weight  0.20000E+01 volume  0.22681E-01 ppm1      8.474 ppm2      4.640 CV     1
 ASSI {  521}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB# ))
      2.600     0.900     0.900 peak   521 weight  0.20000E+01 volume  0.29565E-02 ppm1      8.474 ppm2      2.757 CV     1
 ASSI {   22}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB# ))
      2.400     0.700     0.700 peak    22 weight  0.20000E+01 volume  0.44383E-02 ppm1      8.472 ppm2      2.854 CV     1
 ASSI {  520}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.500     1.500 peak   520 weight  0.20000E+01 volume  0.11482E-02 ppm1      8.476 ppm2      7.475 CV     1
 ASSI {   23}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      2.000     0.500     0.500 peak    23 weight  0.20000E+01 volume  0.14586E-01 ppm1      8.474 ppm2      1.428 CV     1
 ASSI {  310}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HB% )
      2.200     0.600     0.600 peak   310 weight  0.20000E+01 volume  0.77666E-02 ppm1      6.969 ppm2      1.426 CV     1
 ASSI {  518} {calib n1124}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak   518 weight  0.20000E+01 volume  0.14751E-02 ppm1      8.475 ppm2      6.968 CV     1
 ASSI {  308}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   308 weight  0.20000E+01 volume  0.25299E-02 ppm1      6.969 ppm2      4.545 CV     1
 ASSI { 1125}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  1125 weight  0.20000E+01 volume  0.30621E-03 ppm1      6.969 ppm2      9.165 CV     1
 ASSI {  642}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   642 weight  0.20000E+01 volume  0.23714E-02 ppm1      9.164 ppm2      4.698 CV     1
 ASSI {  643}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB# ))
      2.700     0.900     0.900 peak   643 weight  0.20000E+01 volume  0.23053E-02 ppm1      9.165 ppm2      2.523 CV     1
 ASSI {  644}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB# ))
      2.400     0.800     0.800 peak   644 weight  0.20000E+01 volume  0.44171E-02 ppm1      9.165 ppm2      2.603 CV     1
 ASSI { 1063}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 80   and name HE% )
      3.000     1.100     1.100 peak  1063 weight  0.20000E+01 volume  0.12845E-02 ppm1      9.118 ppm2      6.654 CV     1
 ASSI {  896}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 63   and name HE% )
      2.600     0.900     0.900 peak   896 weight  0.20000E+01 volume  0.28097E-02 ppm1      7.869 ppm2      6.126 CV     1
 ASSI { 1062}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 80   and name HZ  ))
      3.900     1.900     1.900 peak  1062 weight  0.20000E+01 volume  0.26268E-03 ppm1      9.120 ppm2      6.391 CV     1
 ASSI { 1685}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 80   and name HZ  ))
      4.200     2.200     1.800 peak  1685 weight  0.20000E+01 volume  0.17959E-03 ppm1      7.367 ppm2      6.412 CV     1
 ASSI { 1486}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 80   and name HZ  ))
      5.100     3.200     0.900 peak  1486 weight  0.20000E+01 volume  0.57383E-04 ppm1      7.569 ppm2      6.408 CV     1
 ASSI {  921}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 80   and name HZ  ))
      3.500     1.500     1.500 peak   921 weight  0.20000E+01 volume  0.50649E-03 ppm1      7.815 ppm2      6.406 CV     1
 ASSI { 1042}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 80   and name HZ  ))
      4.400     2.400     1.600 peak  1042 weight  0.20000E+01 volume  0.13666E-03 ppm1      8.534 ppm2      6.383 CV     1
 ASSI {  199}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.000     0.500     0.500 peak   199 weight  0.20000E+01 volume  0.12947E-01 ppm1      7.870 ppm2      4.705 CV     1
 ASSI {  901}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB# ))
      2.700     0.900     0.900 peak   901 weight  0.20000E+01 volume  0.23752E-02 ppm1      7.872 ppm2      2.520 CV     1
 ASSI {  636}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      4.100     2.100     1.900 peak   636 weight  0.20000E+01 volume  0.19707E-03 ppm1      9.170 ppm2      7.869 CV     1
 ASSI {  897}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.900     1.100     1.100 peak   897 weight  0.20000E+01 volume  0.15109E-02 ppm1      7.870 ppm2      6.012 CV     1
 ASSI {  899}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB# ))
      2.900     1.000     1.000 peak   899 weight  0.20000E+01 volume  0.16777E-02 ppm1      7.868 ppm2      2.917 CV     1
 ASSI {  200}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB# ))
      2.600     0.900     0.900 peak   200 weight  0.20000E+01 volume  0.27993E-02 ppm1      7.869 ppm2      2.805 CV     1
 ASSI {  894}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HD% )
      2.900     1.000     1.000 peak   894 weight  0.20000E+01 volume  0.17470E-02 ppm1      7.871 ppm2      6.806 CV     1
 ASSI { 1284}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB# ))
      2.400     0.700     0.700 peak  1284 weight  0.20000E+01 volume  0.51765E-02 ppm1      9.086 ppm2      2.915 CV     1
 ASSI {  892}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.900     1.900     1.900 peak   892 weight  0.20000E+01 volume  0.27254E-03 ppm1      7.872 ppm2      9.103 CV     1
 ASSI {  403}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB# ))
      2.600     0.800     0.800 peak   403 weight  0.20000E+01 volume  0.30724E-02 ppm1      9.085 ppm2      2.793 CV     1
 ASSI { 1289}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HD% )
      2.600     0.800     0.800 peak  1289 weight  0.20000E+01 volume  0.33854E-02 ppm1      9.082 ppm2      6.901 CV     1
 ASSI {  133}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.000     0.500     0.500 peak   133 weight  0.20000E+01 volume  0.15167E-01 ppm1      9.341 ppm2      5.074 CV     1
 ASSI {  740}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB# ))
      3.100     1.200     1.200 peak   740 weight  0.20000E+01 volume  0.98975E-03 ppm1      9.341 ppm2      2.656 CV     1
 ASSI { 1290}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.600     1.600     1.600 peak  1290 weight  0.20000E+01 volume  0.41561E-03 ppm1      9.088 ppm2      9.337 CV     1
 ASSI {  736}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.000     1.000 peak   736 weight  0.20000E+01 volume  0.16716E-02 ppm1      9.343 ppm2      4.550 CV     1
 ASSI {   40}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak    40 weight  0.20000E+01 volume  0.76593E-02 ppm1      9.838 ppm2      4.547 CV     1
 ASSI {  550}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HG# )
      3.300     1.300     1.300 peak   550 weight  0.20000E+01 volume  0.78898E-03 ppm1      9.830 ppm2      0.642 CV     1
 ASSI {  733}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.600     2.700     1.400 peak   733 weight  0.20000E+01 volume  0.10023E-03 ppm1      9.349 ppm2      9.843 CV     1
 ASSI { 1397}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB# ))
      3.200     1.200     1.200 peak  1397 weight  0.20000E+01 volume  0.97702E-03 ppm1      8.164 ppm2      2.676 CV     1
 ASSI { 1400}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      4.300     2.300     1.700 peak  1400 weight  0.20000E+01 volume  0.15415E-03 ppm1      8.163 ppm2      4.536 CV     1
 ASSI {  556}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      4.500     2.500     1.500 peak   556 weight  0.20000E+01 volume  0.12013E-03 ppm1      9.831 ppm2      4.052 CV     1
 ASSI { 1337}
   (( segid "    " and resid 84   and name HD22))
   (( segid "    " and resid 84   and name HB# ))
      3.100     1.200     1.200 peak  1337 weight  0.20000E+01 volume  0.10787E-02 ppm1      6.650 ppm2      3.034 CV     1
 ASSI {  998}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   998 weight  0.20000E+01 volume  0.10183E-02 ppm1      8.182 ppm2      5.075 CV     1
 ASSI {  993}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 81   and name HB# ))
      3.600     1.600     1.600 peak   993 weight  0.20000E+01 volume  0.46962E-03 ppm1      8.183 ppm2      2.765 CV     1
 ASSI {  997}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   997 weight  0.20000E+01 volume  0.54811E-03 ppm1      8.180 ppm2      4.569 CV     1
 ASSI {  992}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 82   and name HG# )
      4.000     2.000     2.000 peak   992 weight  0.20000E+01 volume  0.22226E-03 ppm1      8.185 ppm2      0.847 CV     1
 ASSI {  232}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.300     0.600     0.600 peak   232 weight  0.20000E+01 volume  0.71909E-02 ppm1      8.181 ppm2      9.344 CV     1
 ASSI { 1542}
   (( segid "    " and resid 83   and name HD21))
   (  segid "    " and resid 85   and name HG# )
      6.000     5.300     0.000 peak  1542 weight  0.20000E+01 volume  0.12550E-04 ppm1      9.006 ppm2      0.958 CV     1
 ASSI {  996}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      4.100     2.100     1.900 peak   996 weight  0.20000E+01 volume  0.18790E-03 ppm1      8.178 ppm2      4.314 CV     1
 ASSI { 1496}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 85   and name HG# )
      5.600     3.900     0.400 peak  1496 weight  0.20000E+01 volume  0.32543E-04 ppm1      8.167 ppm2      0.970 CV     1
 ASSI { 1654}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.900     1.000     1.000 peak  1654 weight  0.20000E+01 volume  0.16565E-02 ppm1      8.180 ppm2      4.052 CV     1
 ASSI {  234}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.400     1.400     1.400 peak   234 weight  0.20000E+01 volume  0.61225E-03 ppm1      8.181 ppm2      4.688 CV     1
 ASSI {  236}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 85   and name HG# )
      2.000     0.500     0.500 peak   236 weight  0.20000E+01 volume  0.14429E-01 ppm1      8.184 ppm2      0.971 CV     1
 ASSI {  902}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 86   and name HG# )
      3.100     1.200     1.200 peak   902 weight  0.20000E+01 volume  0.11115E-02 ppm1      7.872 ppm2      1.155 CV     1
 ASSI {  735}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.700     0.900     0.900 peak   735 weight  0.20000E+01 volume  0.24825E-02 ppm1      9.340 ppm2      5.188 CV     1
 ASSI {   13}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      1.900     0.500     0.500 peak    13 weight  0.20000E+01 volume  0.18656E-01 ppm1      8.496 ppm2      4.685 CV     1
 ASSI {  999}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak   999 weight  0.20000E+01 volume  0.70763E-03 ppm1      8.183 ppm2      8.502 CV     1
 ASSI {  515}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   515 weight  0.20000E+01 volume  0.18251E-02 ppm1      8.495 ppm2      5.191 CV     1
 ASSI {   15}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      2.000     0.500     0.500 peak    15 weight  0.20000E+01 volume  0.14777E-01 ppm1      8.497 ppm2      1.756 CV     1
 ASSI {  513}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HG# )
      3.100     1.200     1.200 peak   513 weight  0.20000E+01 volume  0.11073E-02 ppm1      8.496 ppm2      1.160 CV     1
 ASSI {  898}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 87   and name HD# ))
      4.900     3.000     1.100 peak   898 weight  0.20000E+01 volume  0.67075E-04 ppm1      7.870 ppm2      4.089 CV     1
 ASSI {  738}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 87   and name HD# ))
      3.200     1.300     1.300 peak   738 weight  0.20000E+01 volume  0.82750E-03 ppm1      9.339 ppm2      3.938 CV     1
 ASSI {  995}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 87   and name HD# ))
      4.800     2.900     1.200 peak   995 weight  0.20000E+01 volume  0.73480E-04 ppm1      8.183 ppm2      3.941 CV     1
 ASSI {  514}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HD# ))
      4.000     2.000     2.000 peak   514 weight  0.20000E+01 volume  0.22616E-03 ppm1      8.494 ppm2      3.933 CV     1
 ASSI { 1251}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 59   and name HG# )
      3.900     1.900     1.900 peak  1251 weight  0.20000E+01 volume  0.28553E-03 ppm1      8.592 ppm2      0.858 CV     1
 ASSI { 1499}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 59   and name HG# )
      5.200     3.300     0.800 peak  1499 weight  0.20000E+01 volume  0.50372E-04 ppm1      8.592 ppm2      0.964 CV     1
 ASSI { 1406}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      2.700     0.900     0.900 peak  1406 weight  0.20000E+01 volume  0.27415E-02 ppm1      8.925 ppm2      4.244 CV     1
 ASSI { 1250}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB# ))
      2.800     1.000     1.000 peak  1250 weight  0.20000E+01 volume  0.19727E-02 ppm1      8.591 ppm2      2.037 CV     1
 ASSI { 1248}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB# ))
      2.700     0.900     0.900 peak  1248 weight  0.20000E+01 volume  0.23082E-02 ppm1      8.593 ppm2      2.443 CV     1
 ASSI {  391}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.600     0.900     0.900 peak   391 weight  0.20000E+01 volume  0.30088E-02 ppm1      8.593 ppm2      3.878 CV     1
 ASSI { 1246}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      2.800     1.000     1.000 peak  1246 weight  0.20000E+01 volume  0.17854E-02 ppm1      8.593 ppm2      4.251 CV     1
 ASSI { 1353}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HB# ))
      3.000     1.100     1.100 peak  1353 weight  0.20000E+01 volume  0.12730E-02 ppm1      7.776 ppm2      2.044 CV     1
 ASSI { 1713}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HB# ))
      5.400     3.600     0.600 peak  1713 weight  0.20000E+01 volume  0.39727E-04 ppm1      8.594 ppm2      4.126 CV     1
 ASSI { 1357}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      3.500     1.500     1.500 peak  1357 weight  0.20000E+01 volume  0.52847E-03 ppm1      7.779 ppm2      4.244 CV     1
 ASSI { 1359}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.800     0.900     0.900 peak  1359 weight  0.20000E+01 volume  0.21961E-02 ppm1      7.776 ppm2      8.593 CV     1
 ASSI { 1358}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak  1358 weight  0.20000E+01 volume  0.24071E-02 ppm1      7.778 ppm2      4.426 CV     1
 ASSI { 1356}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB# ))
      3.300     1.300     1.300 peak  1356 weight  0.20000E+01 volume  0.79557E-03 ppm1      7.774 ppm2      4.104 CV     1
 ASSI {  614}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 58   and name HG# )
      3.300     1.400     1.400 peak   614 weight  0.20000E+01 volume  0.71300E-03 ppm1      7.285 ppm2      1.258 CV     1
 ASSI {  617}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 59   and name HB  ))
      3.200     1.300     1.300 peak   617 weight  0.20000E+01 volume  0.95351E-03 ppm1      7.283 ppm2      2.411 CV     1
 ASSI {  612}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 59   and name HG# )
      3.400     1.500     1.500 peak   612 weight  0.20000E+01 volume  0.57503E-03 ppm1      7.283 ppm2      0.864 CV     1
 ASSI {  613}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 59   and name HG# )
      2.700     0.900     0.900 peak   613 weight  0.20000E+01 volume  0.24012E-02 ppm1      7.284 ppm2      0.946 CV     1
 ASSI {  624}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.500     1.500 peak   624 weight  0.20000E+01 volume  0.52371E-03 ppm1      7.285 ppm2      9.102 CV     1
 ASSI { 1404}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      5.500     3.700     0.500 peak  1404 weight  0.20000E+01 volume  0.36264E-04 ppm1      8.928 ppm2      7.282 CV     1
 ASSI {  615}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HB# ))
      2.900     1.100     1.100 peak   615 weight  0.20000E+01 volume  0.15540E-02 ppm1      7.283 ppm2      2.043 CV     1
 ASSI { 1554}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HD# ))
      4.200     2.200     1.800 peak  1554 weight  0.20000E+01 volume  0.18280E-03 ppm1      7.283 ppm2      3.583 CV     1
 ASSI {  616}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HG# ))
      2.800     1.000     1.000 peak   616 weight  0.20000E+01 volume  0.19210E-02 ppm1      7.283 ppm2      2.182 CV     1
 ASSI { 1245}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      3.600     1.600     1.600 peak  1245 weight  0.20000E+01 volume  0.45352E-03 ppm1      8.594 ppm2      7.284 CV     1
 ASSI {  619}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB# ))
      3.800     1.800     1.800 peak   619 weight  0.20000E+01 volume  0.34031E-03 ppm1      7.282 ppm2      4.109 CV     1
 ASSI {   65}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.700     0.900     0.900 peak    65 weight  0.20000E+01 volume  0.24674E-02 ppm1      7.283 ppm2      7.779 CV     1
 ASSI {  620}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.400     0.700     0.700 peak   620 weight  0.20000E+01 volume  0.52424E-02 ppm1      7.283 ppm2      4.505 CV     1
 ASSI { 1192}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 92   and name HG# )
      4.800     2.900     1.200 peak  1192 weight  0.20000E+01 volume  0.75990E-04 ppm1      8.254 ppm2      1.216 CV     1
 ASSI {  675}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      4.100     2.100     1.900 peak   675 weight  0.20000E+01 volume  0.21560E-03 ppm1      7.450 ppm2      4.897 CV     1
 ASSI {  458}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.000     0.500     0.500 peak   458 weight  0.20000E+01 volume  0.17303E-01 ppm1      8.184 ppm2      4.505 CV     1
 ASSI {  460}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 91   and name HB% )
      2.100     0.500     0.500 peak   460 weight  0.20000E+01 volume  0.12221E-01 ppm1      8.184 ppm2      1.499 CV     1
 ASSI {  622}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      3.500     1.500     1.500 peak   622 weight  0.20000E+01 volume  0.51506E-03 ppm1      7.282 ppm2      8.194 CV     1
 ASSI {  461}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 92   and name HG# )
      2.000     0.500     0.500 peak   461 weight  0.20000E+01 volume  0.13859E-01 ppm1      8.184 ppm2      1.221 CV     1
 ASSI { 1614}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 93   and name HB# ))
      3.600     1.600     1.600 peak  1614 weight  0.20000E+01 volume  0.45923E-03 ppm1      7.452 ppm2      1.379 CV     1
 ASSI { 1612}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 93   and name HG# ))
      4.400     2.400     1.600 peak  1612 weight  0.20000E+01 volume  0.14030E-03 ppm1      7.453 ppm2      2.375 CV     1
 ASSI {  671}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.700     1.700     1.700 peak   671 weight  0.20000E+01 volume  0.36732E-03 ppm1      7.449 ppm2      9.343 CV     1
 ASSI { 1688}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      5.000     3.100     1.000 peak  1688 weight  0.20000E+01 volume  0.60238E-04 ppm1      8.728 ppm2      9.362 CV     1
 ASSI {  708}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.200     1.300     1.300 peak   708 weight  0.20000E+01 volume  0.89769E-03 ppm1      9.108 ppm2      9.347 CV     1
 ASSI { 1369}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.200     2.200     1.800 peak  1369 weight  0.20000E+01 volume  0.18054E-03 ppm1      8.183 ppm2      9.339 CV     1
 ASSI {  910}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB# ))
      2.700     0.900     0.900 peak   910 weight  0.20000E+01 volume  0.24015E-02 ppm1      9.339 ppm2      1.964 CV     1
 ASSI { 1387}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 31   and name HG# )
      3.100     1.200     1.200 peak  1387 weight  0.20000E+01 volume  0.11651E-02 ppm1      9.464 ppm2      0.397 CV     1
 ASSI { 1381}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.200     2.200     1.800 peak  1381 weight  0.20000E+01 volume  0.18443E-03 ppm1      9.473 ppm2      4.535 CV     1
 ASSI { 1199}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.800     2.900     1.200 peak  1199 weight  0.20000E+01 volume  0.75644E-04 ppm1      8.255 ppm2      9.457 CV     1
 ASSI {  672}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.400     2.400     1.600 peak   672 weight  0.20000E+01 volume  0.12982E-03 ppm1      7.445 ppm2      9.486 CV     1
 ASSI { 1731}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HG# ))
      4.900     3.000     1.100 peak  1731 weight  0.20000E+01 volume  0.67855E-04 ppm1      9.471 ppm2      2.181 CV     1
 ASSI { 1383}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HG# ))
      3.900     1.900     1.900 peak  1383 weight  0.20000E+01 volume  0.28735E-03 ppm1      9.462 ppm2      2.376 CV     1
 ASSI {  463}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   463 weight  0.20000E+01 volume  0.19972E-02 ppm1      9.464 ppm2      9.345 CV     1
 ASSI { 1374}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      4.000     2.000     2.000 peak  1374 weight  0.20000E+01 volume  0.22407E-03 ppm1      8.187 ppm2      4.144 CV     1
 ASSI {  459}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 95   and name HB# ))
      2.600     0.900     0.900 peak   459 weight  0.20000E+01 volume  0.29141E-02 ppm1      8.184 ppm2      2.391 CV     1
 ASSI { 1375}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 95   and name HG# ))
      3.200     1.300     1.300 peak  1375 weight  0.20000E+01 volume  0.88774E-03 ppm1      8.187 ppm2      2.472 CV     1
 ASSI {  629}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 92   and name HB  ))
      3.500     1.500     1.500 peak   629 weight  0.20000E+01 volume  0.52320E-03 ppm1      7.992 ppm2      4.882 CV     1
 ASSI {  627}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      3.100     1.200     1.200 peak   627 weight  0.20000E+01 volume  0.10130E-02 ppm1      7.990 ppm2      8.181 CV     1
 ASSI {  630}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      4.500     2.500     1.500 peak   630 weight  0.20000E+01 volume  0.12212E-03 ppm1      7.993 ppm2      4.348 CV     1
 ASSI {  625}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.400     2.400     1.600 peak   625 weight  0.20000E+01 volume  0.13632E-03 ppm1      7.993 ppm2      9.340 CV     1
 ASSI {   71}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.800     0.800 peak    71 weight  0.20000E+01 volume  0.30671E-02 ppm1      7.991 ppm2      9.463 CV     1
 ASSI { 1332}
   (( segid "    " and resid 95   and name HE22))
   (( segid "    " and resid 95   and name HB# ))
      5.600     3.900     0.400 peak  1332 weight  0.20000E+01 volume  0.31850E-04 ppm1      7.714 ppm2      2.117 CV     1
 ASSI {  438}
   (( segid "    " and resid 95   and name HE22))
   (( segid "    " and resid 95   and name HE21))
      1.900     0.400     0.400 peak   438 weight  0.20000E+01 volume  0.21971E-01 ppm1      7.714 ppm2      6.872 CV     1
 ASSI {   76}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB# ))
      2.200     0.600     0.600 peak    76 weight  0.20000E+01 volume  0.95132E-02 ppm1      7.991 ppm2      2.389 CV     1
 ASSI { 1377}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 96   and name HD# )
      3.700     1.700     1.700 peak  1377 weight  0.20000E+01 volume  0.39025E-03 ppm1      8.188 ppm2      0.936 CV     1
 ASSI { 1729}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      4.700     2.800     1.300 peak  1729 weight  0.20000E+01 volume  0.83607E-04 ppm1      8.183 ppm2      1.813 CV     1
 ASSI { 1506}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  1506 weight  0.20000E+01 volume  0.24589E-03 ppm1      8.404 ppm2      8.207 CV     1
 ASSI {  843}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.700     0.900     0.900 peak   843 weight  0.20000E+01 volume  0.24145E-02 ppm1      8.402 ppm2      4.349 CV     1
 ASSI {  845}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     5.200     0.000 peak   845 weight  0.20000E+01 volume  0.13069E-04 ppm1      8.398 ppm2      9.350 CV     1
 ASSI {  846}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.000     2.000     2.000 peak   846 weight  0.20000E+01 volume  0.22494E-03 ppm1      8.399 ppm2      9.457 CV     1
 ASSI {  633}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      3.600     1.600     1.600 peak   633 weight  0.20000E+01 volume  0.47663E-03 ppm1      7.993 ppm2      1.823 CV     1
 ASSI {  842}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak   842 weight  0.20000E+01 volume  0.91032E-03 ppm1      8.402 ppm2      4.151 CV     1
 ASSI {  171}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 96   and name HD# )
      2.700     0.900     0.900 peak   171 weight  0.20000E+01 volume  0.25394E-02 ppm1      8.401 ppm2      0.903 CV     1
 ASSI { 1730}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 97   and name HB# ))
      5.200     3.300     0.800 peak  1730 weight  0.20000E+01 volume  0.49680E-04 ppm1      9.469 ppm2      3.299 CV     1
 ASSI { 1053}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HA# ))
      3.100     1.200     1.200 peak  1053 weight  0.20000E+01 volume  0.10032E-02 ppm1      9.016 ppm2      3.710 CV     1
 ASSI { 1677}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      4.100     2.100     1.900 peak  1677 weight  0.20000E+01 volume  0.20884E-03 ppm1      9.021 ppm2      4.137 CV     1
 ASSI {  626}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      3.700     1.700     1.700 peak   626 weight  0.20000E+01 volume  0.36272E-03 ppm1      7.992 ppm2      9.017 CV     1
 ASSI {  179}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.700     0.900     0.900 peak   179 weight  0.20000E+01 volume  0.25044E-02 ppm1      8.397 ppm2      9.016 CV     1
 ASSI { 1538}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HA# ))
      6.000     4.700     0.000 peak  1538 weight  0.20000E+01 volume  0.18088E-04 ppm1      8.418 ppm2      3.704 CV     1
 ASSI { 1534}
   (( segid "    " and resid 98   and name HE22))
   (( segid "    " and resid 95   and name HG# ))
      4.200     2.200     1.800 peak  1534 weight  0.20000E+01 volume  0.17448E-03 ppm1      7.599 ppm2      2.457 CV     1
 ASSI {  950}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.600     0.800     0.800 peak   950 weight  0.20000E+01 volume  0.34153E-02 ppm1      8.414 ppm2      4.149 CV     1
 ASSI {  955}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.700     0.900     0.900 peak   955 weight  0.20000E+01 volume  0.24381E-02 ppm1      8.410 ppm2      9.020 CV     1
 ASSI { 1535}
   (( segid "    " and resid 98   and name HE22))
   (( segid "    " and resid 98   and name HG# ))
      3.700     1.700     1.700 peak  1535 weight  0.20000E+01 volume  0.35209E-03 ppm1      7.596 ppm2      2.579 CV     1
 ASSI { 1427}
   (( segid "    " and resid 98   and name HE21))
   (( segid "    " and resid 98   and name HG# ))
      3.900     1.900     1.900 peak  1427 weight  0.20000E+01 volume  0.25308E-03 ppm1      6.889 ppm2      2.577 CV     1
 ASSI { 1231}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.200     1.300     1.300 peak  1231 weight  0.20000E+01 volume  0.82456E-03 ppm1      7.399 ppm2      4.248 CV     1
 ASSI { 1232}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      4.400     2.500     1.600 peak  1232 weight  0.20000E+01 volume  0.12377E-03 ppm1      7.389 ppm2      3.868 CV     1
 ASSI { 1508}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HB# ))
      6.000     5.200     0.000 peak  1508 weight  0.20000E+01 volume  0.13415E-04 ppm1      7.399 ppm2      3.286 CV     1
 ASSI { 1067}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.900     1.900     1.900 peak  1067 weight  0.20000E+01 volume  0.26233E-03 ppm1      9.020 ppm2      7.391 CV     1
 ASSI { 1316}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 82   and name HG# )
      4.600     2.600     1.400 peak  1316 weight  0.20000E+01 volume  0.10291E-03 ppm1      8.139 ppm2      0.637 CV     1
 ASSI { 1540}
   (( segid "    " and resid 83   and name HD22))
   (( segid "    " and resid 100  and name HB# ))
      4.300     2.300     1.700 peak  1540 weight  0.20000E+01 volume  0.15069E-03 ppm1      7.244 ppm2      2.792 CV     1
 ASSI {  844}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 100  and name HD# ))
      4.300     2.300     1.700 peak   844 weight  0.20000E+01 volume  0.14921E-03 ppm1      8.402 ppm2      6.947 CV     1
 ASSI { 1325}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.300     1.400     1.400 peak  1325 weight  0.20000E+01 volume  0.70737E-03 ppm1      8.135 ppm2      3.855 CV     1
 ASSI { 1230}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HD# ))
      3.400     1.500     1.500 peak  1230 weight  0.20000E+01 volume  0.61000E-03 ppm1      7.397 ppm2      6.952 CV     1
 ASSI { 1326}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.200     1.300     1.300 peak  1326 weight  0.20000E+01 volume  0.90696E-03 ppm1      8.132 ppm2      3.991 CV     1
 ASSI { 1318}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB# ))
      2.800     1.000     1.000 peak  1318 weight  0.20000E+01 volume  0.18561E-02 ppm1      8.138 ppm2      1.488 CV     1
 ASSI {  379}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.100     0.500     0.500 peak   379 weight  0.20000E+01 volume  0.12225E-01 ppm1      7.395 ppm2      8.137 CV     1
 ASSI {  423}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.300     0.700     0.700 peak   423 weight  0.20000E+01 volume  0.58389E-02 ppm1      8.137 ppm2      4.773 CV     1
 ASSI {  424}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB# ))
      2.300     0.600     0.600 peak   424 weight  0.20000E+01 volume  0.71922E-02 ppm1      8.136 ppm2      2.793 CV     1
 ASSI { 1324}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB# ))
      2.600     0.800     0.800 peak  1324 weight  0.20000E+01 volume  0.33169E-02 ppm1      8.136 ppm2      3.078 CV     1
 ASSI { 1330}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HD# ))
      3.000     1.200     1.200 peak  1330 weight  0.20000E+01 volume  0.12059E-02 ppm1      8.135 ppm2      6.945 CV     1
 ASSI { 1725}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HB# ))
      4.600     2.600     1.400 peak  1725 weight  0.20000E+01 volume  0.10386E-03 ppm1      8.130 ppm2      2.283 CV     1
 ASSI {  957}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.600     0.800     0.800 peak   957 weight  0.20000E+01 volume  0.31944E-02 ppm1      8.451 ppm2      4.773 CV     1
 ASSI {  830}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   830 weight  0.20000E+01 volume  0.92781E-03 ppm1      8.824 ppm2      4.664 CV     1
 ASSI {  832}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HG# ))
      4.000     2.000     2.000 peak   832 weight  0.20000E+01 volume  0.21958E-03 ppm1      8.824 ppm2      3.027 CV     1
 ASSI { 1559}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      5.100     3.300     0.900 peak  1559 weight  0.20000E+01 volume  0.51583E-04 ppm1      7.836 ppm2      4.659 CV     1
 ASSI { 1226}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB# ))
      3.100     1.200     1.200 peak  1226 weight  0.20000E+01 volume  0.98372E-03 ppm1      7.833 ppm2      2.695 CV     1
 ASSI {  828}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      4.800     2.900     1.200 peak   828 weight  0.20000E+01 volume  0.74779E-04 ppm1      8.809 ppm2      7.839 CV     1
 ASSI { 1224}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.700     0.900     0.900 peak  1224 weight  0.20000E+01 volume  0.22780E-02 ppm1      7.836 ppm2      4.118 CV     1
 ASSI { 1365}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 105  and name HB# ))
      4.100     2.100     1.900 peak  1365 weight  0.20000E+01 volume  0.20348E-03 ppm1      9.505 ppm2      3.473 CV     1
 ASSI { 1413}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 101  and name HD# ))
      4.200     2.200     1.800 peak  1413 weight  0.20000E+01 volume  0.16938E-03 ppm1      7.870 ppm2      6.963 CV     1
 ASSI { 1436}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 106  and name HZ  ))
      4.200     2.200     1.800 peak  1436 weight  0.20000E+01 volume  0.16531E-03 ppm1      9.518 ppm2      6.932 CV     1
 ASSI { 1221}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.500     2.600     1.500 peak  1221 weight  0.20000E+01 volume  0.10862E-03 ppm1      7.837 ppm2      8.707 CV     1
 ASSI {  971}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      2.700     0.900     0.900 peak   971 weight  0.20000E+01 volume  0.24094E-02 ppm1      8.717 ppm2      7.867 CV     1
 ASSI {  977}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.900     1.100     1.100 peak   977 weight  0.20000E+01 volume  0.15933E-02 ppm1      8.714 ppm2      4.771 CV     1
 ASSI {  987}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB# ))
      2.500     0.800     0.800 peak   987 weight  0.20000E+01 volume  0.35101E-02 ppm1      8.701 ppm2      2.014 CV     1
 ASSI {  975}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HD% )
      2.600     0.800     0.800 peak   975 weight  0.20000E+01 volume  0.33224E-02 ppm1      8.713 ppm2      6.873 CV     1
 ASSI {  804}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 33   and name HG# )
      4.000     2.000     2.000 peak   804 weight  0.20000E+01 volume  0.23628E-03 ppm1      7.912 ppm2      0.563 CV     1
 ASSI { 1565}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 107  and name HB# ))
      4.500     2.500     1.500 peak  1565 weight  0.20000E+01 volume  0.12031E-03 ppm1      8.776 ppm2      1.365 CV     1
 ASSI {  791}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      5.000     3.200     1.000 peak   791 weight  0.20000E+01 volume  0.59286E-04 ppm1      7.915 ppm2      8.780 CV     1
 ASSI { 1636}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 107  and name HG  ))
      5.600     4.000     0.400 peak  1636 weight  0.20000E+01 volume  0.29860E-04 ppm1      8.398 ppm2      0.756 CV     1
 ASSI { 1317}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 107  and name HD# )
      2.700     0.900     0.900 peak  1317 weight  0.20000E+01 volume  0.23927E-02 ppm1      8.135 ppm2      0.875 CV     1
 ASSI {  799}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.500     0.800     0.800 peak   799 weight  0.20000E+01 volume  0.39248E-02 ppm1      7.909 ppm2      4.775 CV     1
 ASSI { 1519}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HG  ))
      5.500     3.800     0.500 peak  1519 weight  0.20000E+01 volume  0.34966E-04 ppm1      7.914 ppm2      0.762 CV     1
 ASSI { 1494}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 108  and name HE% )
      5.400     3.600     0.600 peak  1494 weight  0.20000E+01 volume  0.40591E-04 ppm1      9.866 ppm2      6.926 CV     1
 ASSI {  526}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.700     1.700     1.700 peak   526 weight  0.20000E+01 volume  0.40392E-03 ppm1      8.867 ppm2      4.255 CV     1
 ASSI {  528}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB# ))
      2.900     1.100     1.100 peak   528 weight  0.20000E+01 volume  0.15375E-02 ppm1      8.871 ppm2      1.380 CV     1
 ASSI {  529}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HG  ))
      4.300     2.300     1.700 peak   529 weight  0.20000E+01 volume  0.14765E-03 ppm1      8.857 ppm2      0.767 CV     1
 ASSI {  792}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      4.700     2.800     1.300 peak   792 weight  0.20000E+01 volume  0.83174E-04 ppm1      7.918 ppm2      8.861 CV     1
 ASSI {  527}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB# ))
      2.700     0.900     0.900 peak   527 weight  0.20000E+01 volume  0.24221E-02 ppm1      8.861 ppm2      2.216 CV     1
 ASSI {  525}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HD% )
      2.800     1.000     1.000 peak   525 weight  0.20000E+01 volume  0.18115E-02 ppm1      8.863 ppm2      6.321 CV     1
 ASSI {  652}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 5    and name HE% )
      6.000     4.600     0.000 peak   652 weight  0.20000E+01 volume  0.18695E-04 ppm1      9.368 ppm2      7.400 CV     1
 ASSI {  502}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      3.700     1.700     1.700 peak   502 weight  0.20000E+01 volume  0.36931E-03 ppm1      8.779 ppm2      9.375 CV     1
 ASSI {  777}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      3.700     1.700     1.700 peak   777 weight  0.20000E+01 volume  0.37459E-03 ppm1      8.690 ppm2      9.375 CV     1
 ASSI { 1285}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.800     1.800     1.800 peak  1285 weight  0.20000E+01 volume  0.31279E-03 ppm1      9.081 ppm2      4.829 CV     1
 ASSI { 1521}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB# ))
      5.100     3.200     0.900 peak  1521 weight  0.20000E+01 volume  0.57036E-04 ppm1      9.374 ppm2      2.219 CV     1
 ASSI {  524}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      4.000     2.000     2.000 peak   524 weight  0.20000E+01 volume  0.23057E-03 ppm1      8.858 ppm2      9.367 CV     1
 ASSI {  658}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.000     1.100     1.100 peak   658 weight  0.20000E+01 volume  0.13889E-02 ppm1      9.380 ppm2      4.827 CV     1
 ASSI {  663}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB  ))
      2.600     0.800     0.800 peak   663 weight  0.20000E+01 volume  0.31628E-02 ppm1      9.373 ppm2      1.545 CV     1
 ASSI {  668}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 109  and name HD# )
      3.700     1.700     1.700 peak   668 weight  0.20000E+01 volume  0.35165E-03 ppm1      9.376 ppm2      0.289 CV     1
 ASSI {  664}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG1#))
      2.700     0.900     0.900 peak   664 weight  0.20000E+01 volume  0.24517E-02 ppm1      9.378 ppm2      1.307 CV     1
 ASSI {  510}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 5    and name HZ  ))
      3.300     1.400     1.400 peak   510 weight  0.20000E+01 volume  0.68634E-03 ppm1      9.003 ppm2      7.243 CV     1
 ASSI {  507}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak   507 weight  0.20000E+01 volume  0.27393E-03 ppm1      9.015 ppm2      6.017 CV     1
 ASSI { 1567}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 81   and name HB# ))
      4.500     2.500     1.500 peak  1567 weight  0.20000E+01 volume  0.11909E-03 ppm1      9.009 ppm2      2.650 CV     1
 ASSI {  505}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 81   and name HB# ))
      3.200     1.300     1.300 peak   505 weight  0.20000E+01 volume  0.86307E-03 ppm1      9.000 ppm2      2.785 CV     1
 ASSI {  506}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.400     1.400     1.400 peak   506 weight  0.20000E+01 volume  0.66348E-03 ppm1      9.007 ppm2      4.553 CV     1
 ASSI {    9}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.100     0.500     0.500 peak     9 weight  0.20000E+01 volume  0.12119E-01 ppm1      9.006 ppm2      4.829 CV     1
 ASSI {  504}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG1#))
      3.100     1.200     1.200 peak   504 weight  0.20000E+01 volume  0.10044E-02 ppm1      9.009 ppm2      0.819 CV     1
 ASSI {  650}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.600     0.000 peak   650 weight  0.20000E+01 volume  0.19474E-04 ppm1      9.368 ppm2      8.999 CV     1
 ASSI { 1179}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.300     1.300 peak  1179 weight  0.20000E+01 volume  0.76423E-03 ppm1      8.513 ppm2      8.701 CV     1
 ASSI {  681}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 111  and name HD% )
      4.200     2.200     1.800 peak   681 weight  0.20000E+01 volume  0.16852E-03 ppm1      8.854 ppm2      6.801 CV     1
 ASSI {  484}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 111  and name HD% )
      4.400     2.400     1.600 peak   484 weight  0.20000E+01 volume  0.13943E-03 ppm1      8.901 ppm2      6.820 CV     1
 ASSI { 1697}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.600     2.600     1.400 peak  1697 weight  0.20000E+01 volume  0.10092E-03 ppm1      8.515 ppm2      4.403 CV     1
 ASSI { 1180}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1180 weight  0.20000E+01 volume  0.24228E-02 ppm1      8.514 ppm2      8.899 CV     1
 ASSI {  640}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      4.000     2.000     2.000 peak   640 weight  0.20000E+01 volume  0.24312E-03 ppm1      9.161 ppm2      6.710 CV     1
 ASSI { 1601}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 111  and name HB# ))
      5.600     4.000     0.400 peak  1601 weight  0.20000E+01 volume  0.29426E-04 ppm1      9.169 ppm2      3.260 CV     1
 ASSI {  893}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      3.700     1.700     1.700 peak   893 weight  0.20000E+01 volume  0.37052E-03 ppm1      7.870 ppm2      6.716 CV     1
 ASSI { 1698}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.400     2.400     1.600 peak  1698 weight  0.20000E+01 volume  0.13008E-03 ppm1      8.515 ppm2      6.008 CV     1
 ASSI {  511}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      4.900     3.000     1.100 peak   511 weight  0.20000E+01 volume  0.71663E-04 ppm1      9.012 ppm2      8.511 CV     1
 ASSI { 1177}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.400     0.700     0.700 peak  1177 weight  0.20000E+01 volume  0.45064E-02 ppm1      8.514 ppm2      6.712 CV     1
 ASSI { 1169}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB# ))
      3.500     1.600     1.600 peak  1169 weight  0.20000E+01 volume  0.48485E-03 ppm1      8.517 ppm2      3.267 CV     1
 ASSI { 1168}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB# ))
      2.800     1.000     1.000 peak  1168 weight  0.20000E+01 volume  0.17924E-02 ppm1      8.513 ppm2      2.846 CV     1
 ASSI { 1462}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      4.700     2.700     1.300 peak  1462 weight  0.20000E+01 volume  0.90012E-04 ppm1      8.901 ppm2      4.653 CV     1
 ASSI { 1735}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 112  and name HB# ))
      3.900     1.900     1.900 peak  1735 weight  0.20000E+01 volume  0.26475E-03 ppm1      8.899 ppm2      3.900 CV     1
 ASSI {  729}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      4.600     2.600     1.400 peak   729 weight  0.20000E+01 volume  0.10654E-03 ppm1      7.463 ppm2      4.656 CV     1
 ASSI { 1467}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 112  and name HG  ))
      4.400     2.400     1.600 peak  1467 weight  0.20000E+01 volume  0.13606E-03 ppm1      7.465 ppm2      6.514 CV     1
 ASSI { 1468}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 112  and name HG  ))
      5.700     4.000     0.300 peak  1468 weight  0.20000E+01 volume  0.28821E-04 ppm1      9.165 ppm2      6.526 CV     1
 ASSI { 1471}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 112  and name HG  ))
      4.400     2.500     1.600 peak  1471 weight  0.20000E+01 volume  0.12333E-03 ppm1      6.931 ppm2      6.520 CV     1
 ASSI { 1271}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak  1271 weight  0.20000E+01 volume  0.56456E-03 ppm1      9.282 ppm2      4.541 CV     1
 ASSI { 1277}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 78   and name HD# )
      4.400     2.400     1.600 peak  1277 weight  0.20000E+01 volume  0.13389E-03 ppm1      9.277 ppm2      0.459 CV     1
 ASSI { 1603}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 112  and name HB# ))
      5.700     4.000     0.300 peak  1603 weight  0.20000E+01 volume  0.28389E-04 ppm1      9.168 ppm2      4.267 CV     1
 ASSI { 1522}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 79   and name HB# ))
      4.000     2.000     2.000 peak  1522 weight  0.20000E+01 volume  0.23498E-03 ppm1      9.274 ppm2      2.514 CV     1
 ASSI {  400}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak   400 weight  0.20000E+01 volume  0.36776E-02 ppm1      9.282 ppm2      9.165 CV     1
 ASSI { 1269}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.400     1.500     1.500 peak  1269 weight  0.20000E+01 volume  0.58629E-03 ppm1      9.281 ppm2      6.013 CV     1
 ASSI {  414}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.100     0.500     0.500 peak   414 weight  0.20000E+01 volume  0.11832E-01 ppm1      9.282 ppm2      6.712 CV     1
 ASSI { 1274}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB# ))
      2.600     0.800     0.800 peak  1274 weight  0.20000E+01 volume  0.33238E-02 ppm1      9.281 ppm2      3.262 CV     1
 ASSI { 1275}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB# ))
      2.700     0.900     0.900 peak  1275 weight  0.20000E+01 volume  0.24931E-02 ppm1      9.283 ppm2      2.844 CV     1
 ASSI { 1181}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      4.100     2.100     1.900 peak  1181 weight  0.20000E+01 volume  0.20252E-03 ppm1      8.509 ppm2      9.288 CV     1
 ASSI { 1270}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.700     0.900     0.900 peak  1270 weight  0.20000E+01 volume  0.26133E-02 ppm1      9.282 ppm2      4.660 CV     1
 ASSI { 1272}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB# ))
      3.100     1.200     1.200 peak  1272 weight  0.20000E+01 volume  0.10938E-02 ppm1      9.281 ppm2      4.260 CV     1
 ASSI { 1268}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HG  ))
      3.800     1.800     1.800 peak  1268 weight  0.20000E+01 volume  0.30743E-03 ppm1      9.281 ppm2      6.526 CV     1
 ASSI { 1589}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 113  and name HB# ))
      5.200     3.400     0.800 peak  1589 weight  0.20000E+01 volume  0.46650E-04 ppm1      9.165 ppm2      3.076 CV     1
 ASSI {  592}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      3.700     1.700     1.700 peak   592 weight  0.20000E+01 volume  0.37329E-03 ppm1      9.157 ppm2      9.429 CV     1
 ASSI {  641}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.200     1.300     1.300 peak   641 weight  0.20000E+01 volume  0.94088E-03 ppm1      9.164 ppm2      4.828 CV     1
 ASSI {  194}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.300     0.700     0.700 peak   194 weight  0.20000E+01 volume  0.64707E-02 ppm1      9.434 ppm2      4.656 CV     1
 ASSI {  887}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HB# ))
      3.700     1.700     1.700 peak   887 weight  0.20000E+01 volume  0.35130E-03 ppm1      9.434 ppm2      3.912 CV     1
 ASSI {  883}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HG  ))
      3.800     1.800     1.800 peak   883 weight  0.20000E+01 volume  0.30033E-03 ppm1      9.431 ppm2      6.525 CV     1
 ASSI {  884}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.700     0.900     0.900 peak   884 weight  0.20000E+01 volume  0.26026E-02 ppm1      9.435 ppm2      4.805 CV     1
 ASSI {  889}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB# ))
      3.100     1.200     1.200 peak   889 weight  0.20000E+01 volume  0.11081E-02 ppm1      9.431 ppm2      2.697 CV     1
 ASSI {  968}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.100     2.100     1.900 peak   968 weight  0.20000E+01 volume  0.19188E-03 ppm1      8.513 ppm2      9.168 CV     1
 ASSI {  978}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HB# ))
      2.900     1.100     1.100 peak   978 weight  0.20000E+01 volume  0.15161E-02 ppm1      8.510 ppm2      4.252 CV     1
 ASSI {  979}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HB# ))
      2.900     1.100     1.100 peak   979 weight  0.20000E+01 volume  0.14666E-02 ppm1      8.506 ppm2      3.910 CV     1
 ASSI {  974}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HG  ))
      2.800     1.000     1.000 peak   974 weight  0.20000E+01 volume  0.18505E-02 ppm1      8.510 ppm2      6.524 CV     1
 ASSI {  969}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     5.000     0.000 peak   969 weight  0.20000E+01 volume  0.15319E-04 ppm1      8.513 ppm2      9.281 CV     1
 ASSI {  981}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB# ))
      3.900     1.900     1.900 peak   981 weight  0.20000E+01 volume  0.28025E-03 ppm1      8.514 ppm2      3.075 CV     1
 ASSI {  227}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      2.300     0.600     0.600 peak   227 weight  0.20000E+01 volume  0.68681E-02 ppm1      8.511 ppm2      9.435 CV     1
 ASSI {  986}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HB# ))
      2.900     1.100     1.100 peak   986 weight  0.20000E+01 volume  0.15621E-02 ppm1      8.511 ppm2      2.078 CV     1
 ASSI {  407}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.000     0.500     0.500 peak   407 weight  0.20000E+01 volume  0.17057E-01 ppm1      7.978 ppm2      4.644 CV     1
 ASSI { 1296}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB# ))
      2.800     1.000     1.000 peak  1296 weight  0.20000E+01 volume  0.17923E-02 ppm1      7.977 ppm2      2.074 CV     1
 ASSI { 1295}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB# ))
      3.000     1.100     1.100 peak  1295 weight  0.20000E+01 volume  0.13372E-02 ppm1      7.979 ppm2      1.865 CV     1
 ASSI { 1297}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HG# ))
      3.400     1.500     1.500 peak  1297 weight  0.20000E+01 volume  0.58525E-03 ppm1      7.981 ppm2      2.205 CV     1
 ASSI { 1525}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HG# ))
      3.800     1.800     1.800 peak  1525 weight  0.20000E+01 volume  0.30786E-03 ppm1      7.974 ppm2      2.306 CV     1
 ASSI {  970}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      3.900     1.900     1.900 peak   970 weight  0.20000E+01 volume  0.27878E-03 ppm1      8.508 ppm2      7.975 CV     1
 ASSI { 1300}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.700     0.900     0.900 peak  1300 weight  0.20000E+01 volume  0.23666E-02 ppm1      7.979 ppm2      3.392 CV     1
 ASSI { 1298}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB# ))
      2.700     0.900     0.900 peak  1298 weight  0.20000E+01 volume  0.25057E-02 ppm1      7.978 ppm2      2.469 CV     1
 ASSI { 1301}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB# ))
      3.100     1.200     1.200 peak  1301 weight  0.20000E+01 volume  0.10291E-02 ppm1      7.978 ppm2      3.480 CV     1
 ASSI { 1019}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      3.400     1.400     1.400 peak  1019 weight  0.20000E+01 volume  0.63718E-03 ppm1      6.980 ppm2      4.638 CV     1
 ASSI {  251}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 114  and name HB# ))
      2.100     0.600     0.600 peak   251 weight  0.20000E+01 volume  0.10014E-01 ppm1      6.979 ppm2      2.071 CV     1
 ASSI { 1023}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 114  and name HG# ))
      3.500     1.500     1.500 peak  1023 weight  0.20000E+01 volume  0.56551E-03 ppm1      6.981 ppm2      2.201 CV     1
 ASSI { 1022}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 114  and name HG# ))
      3.400     1.400     1.400 peak  1022 weight  0.20000E+01 volume  0.62203E-03 ppm1      6.978 ppm2      2.308 CV     1
 ASSI { 1663}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 114  and name HN  ))
      4.600     2.600     1.400 peak  1663 weight  0.20000E+01 volume  0.10213E-03 ppm1      6.982 ppm2      8.515 CV     1
 ASSI {  250}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.700     0.900     0.900 peak   250 weight  0.20000E+01 volume  0.25194E-02 ppm1      6.978 ppm2      3.393 CV     1
 ASSI { 1021}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB# ))
      3.400     1.500     1.500 peak  1021 weight  0.20000E+01 volume  0.58663E-03 ppm1      6.977 ppm2      2.475 CV     1
 ASSI { 1431}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB# ))
      3.700     1.700     1.700 peak  1431 weight  0.20000E+01 volume  0.37069E-03 ppm1      6.982 ppm2      3.488 CV     1
 ASSI {  245}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      2.200     0.600     0.600 peak   245 weight  0.20000E+01 volume  0.84291E-02 ppm1      6.978 ppm2      7.977 CV     1
 ASSI {  252}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB  ))
      2.500     0.800     0.800 peak   252 weight  0.20000E+01 volume  0.17806E-01 ppm1      6.981 ppm2      1.812 CV     1
 ASSI {  253}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 116  and name HG# )
      2.100     0.500     0.500 peak   253 weight  0.20000E+01 volume  0.12472E-01 ppm1      6.979 ppm2      0.746 CV     1
 ASSI {   28}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.100     0.500     0.500 peak    28 weight  0.20000E+01 volume  0.11321E-01 ppm1      8.231 ppm2      4.131 CV     1
 ASSI {  535}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB  ))
      2.700     0.900     0.900 peak   535 weight  0.20000E+01 volume  0.24892E-02 ppm1      8.229 ppm2      1.812 CV     1
 ASSI {  538}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      3.200     1.200     1.200 peak   538 weight  0.20000E+01 volume  0.96220E-03 ppm1      8.230 ppm2      6.977 CV     1
 ASSI {  536}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.600     0.900     0.900 peak   536 weight  0.20000E+01 volume  0.29371E-02 ppm1      8.232 ppm2      3.716 CV     1
 ASSI {   30}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB# ))
      2.300     0.600     0.600 peak    30 weight  0.20000E+01 volume  0.71446E-02 ppm1      8.230 ppm2      2.537 CV     1
 ASSI {  537}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 117  and name HD% )
      3.100     1.200     1.200 peak   537 weight  0.20000E+01 volume  0.10062E-02 ppm1      8.230 ppm2      6.604 CV     1
 ASSI { 1293}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 38   and name HB% )
      3.900     1.900     1.900 peak  1293 weight  0.20000E+01 volume  0.27384E-03 ppm1      7.547 ppm2      1.200 CV     1
 ASSI { 1292}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 116  and name HG# )
      3.500     1.500     1.500 peak  1292 weight  0.20000E+01 volume  0.54864E-03 ppm1      7.545 ppm2      0.746 CV     1
 ASSI { 1305}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      3.700     1.700     1.700 peak  1305 weight  0.20000E+01 volume  0.35909E-03 ppm1      7.544 ppm2      8.234 CV     1
 ASSI {  413}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA# ))
      2.600     0.800     0.800 peak   413 weight  0.20000E+01 volume  0.33603E-02 ppm1      7.549 ppm2      3.573 CV     1
 ASSI {  412}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA# ))
      2.100     0.500     0.500 peak   412 weight  0.20000E+01 volume  0.11400E-01 ppm1      7.547 ppm2      3.704 CV     1
 ASSI { 1527}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 38   and name HB% )
      4.800     2.900     1.200 peak  1527 weight  0.20000E+01 volume  0.77202E-04 ppm1      7.395 ppm2      1.193 CV     1
 ASSI {  533}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 40   and name HG# ))
      3.700     1.700     1.700 peak   533 weight  0.20000E+01 volume  0.35199E-03 ppm1      7.394 ppm2      1.326 CV     1
 ASSI {   34}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HA# ))
      2.100     0.600     0.600 peak    34 weight  0.20000E+01 volume  0.11184E-01 ppm1      7.395 ppm2      3.690 CV     1
 ASSI {   33}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.400     0.700     0.700 peak    33 weight  0.20000E+01 volume  0.56501E-02 ppm1      7.396 ppm2      4.071 CV     1
 ASSI {   36}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB# ))
      2.200     0.600     0.600 peak    36 weight  0.20000E+01 volume  0.75631E-02 ppm1      7.396 ppm2      1.430 CV     1
 ASSI {    4}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 27   and name HE% )
      1.600     0.300     0.600 peak     4 weight  0.10000E+01 volume  0.51591E-01 ppm1      7.165 ppm2      6.727 CV     1
 ASSI {    7}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 51   and name HE% )
      1.900     0.400     0.400 peak     7 weight  0.10000E+01 volume  0.21115E-01 ppm1      7.067 ppm2      6.624 CV     1
 ASSI {   14}
   (  segid "    " and resid 63   and name HD% )
   (  segid "    " and resid 63   and name HE% )
      1.600     0.300     0.600 peak    14 weight  0.10000E+01 volume  0.65026E-01 ppm1      6.312 ppm2      6.124 CV     1
 ASSI {   18}
   (  segid "    " and resid 105  and name HE% )
   (  segid "    " and resid 105  and name HD% )
      1.500     0.300     0.700 peak    18 weight  0.10000E+01 volume  0.78158E-01 ppm1      7.317 ppm2      7.095 CV     1
 ASSI {   22}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 106  and name HZ  ))
      1.600     0.300     0.600 peak    22 weight  0.10000E+01 volume  0.53345E-01 ppm1      7.213 ppm2      6.932 CV     1
 ASSI {   44}
   (( segid "    " and resid 100  and name HE# ))
   (  segid "    " and resid 85   and name HG# )
      3.000     1.200     1.200 peak    44 weight  0.10000E+01 volume  0.12527E-02 ppm1      7.775 ppm2      0.975 CV     1
 ASSI {   45}
   (( segid "    " and resid 100  and name HE# ))
   (( segid "    " and resid 99   and name HB# ))
      3.900     1.900     1.900 peak    45 weight  0.10000E+01 volume  0.29064E-03 ppm1      7.775 ppm2      1.508 CV     1
 ASSI {   48}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak    48 weight  0.10000E+01 volume  0.57307E-03 ppm1      7.163 ppm2      7.712 CV     1
 ASSI {   50}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 52   and name HD# )
      2.300     0.700     0.700 peak    50 weight  0.10000E+01 volume  0.69118E-02 ppm1      7.162 ppm2      0.460 CV     1
 ASSI {   51}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 23   and name HG# )
      2.200     0.600     0.600 peak    51 weight  0.10000E+01 volume  0.89652E-02 ppm1      7.162 ppm2      0.867 CV     1
 ASSI {   52}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HB# ))
      2.200     0.600     0.600 peak    52 weight  0.10000E+01 volume  0.75950E-02 ppm1      7.164 ppm2      1.231 CV     1
 ASSI {   54}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 23   and name HG1#))
      2.900     1.000     1.000 peak    54 weight  0.10000E+01 volume  0.17450E-02 ppm1      7.161 ppm2      1.816 CV     1
 OR {   54}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 23   and name HB  ))
 ASSI {   57}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB# ))
      2.100     0.500     0.500 peak    57 weight  0.10000E+01 volume  0.11678E-01 ppm1      7.161 ppm2      2.903 CV     1
 ASSI {   60}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 23   and name HA  ))
      2.300     0.700     0.700 peak    60 weight  0.10000E+01 volume  0.60885E-02 ppm1      7.168 ppm2      3.761 CV     1
 ASSI {   61}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 50   and name HA  ))
      2.700     0.900     0.900 peak    61 weight  0.10000E+01 volume  0.24901E-02 ppm1      7.069 ppm2      5.109 CV     1
 ASSI {   62}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HA  ))
      2.300     0.700     0.700 peak    62 weight  0.10000E+01 volume  0.64758E-02 ppm1      7.072 ppm2      4.461 CV     1
 ASSI {   64}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HB# ))
      2.000     0.500     0.500 peak    64 weight  0.10000E+01 volume  0.13861E-01 ppm1      7.068 ppm2      2.842 CV     1
 ASSI {   65}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 51   and name HB# ))
      2.000     0.500     0.500 peak    65 weight  0.10000E+01 volume  0.15730E-01 ppm1      7.069 ppm2      2.650 CV     1
 ASSI {   69}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 65   and name HD# )
      2.700     0.900     0.900 peak    69 weight  0.10000E+01 volume  0.27650E-02 ppm1      7.071 ppm2      0.996 CV     1
 ASSI {   70}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 35   and name HG# )
      2.000     0.500     0.500 peak    70 weight  0.10000E+01 volume  0.15178E-01 ppm1      7.071 ppm2      0.846 CV     1
 ASSI {   72}
   (  segid "    " and resid 7    and name HD% )
   (  segid "    " and resid 7    and name HE% )
      2.000     0.500     0.500 peak    72 weight  0.10000E+01 volume  0.14118E-01 ppm1      7.056 ppm2      6.182 CV     1
 ASSI {   75}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 7    and name HB# ))
      2.700     0.900     0.900 peak    75 weight  0.10000E+01 volume  0.23656E-02 ppm1      7.053 ppm2      3.527 CV     1
 ASSI {   84}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak    84 weight  0.10000E+01 volume  0.38659E-02 ppm1      6.183 ppm2      7.162 CV     1
 OR {   84}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 7   and name HD%  ))
 ASSI {   85}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 7    and name HB# ))
      3.400     1.400     1.400 peak    85 weight  0.10000E+01 volume  0.63809E-03 ppm1      6.169 ppm2      3.524 CV     1
 ASSI {   86}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 50   and name HE# ))
      3.200     1.300     1.300 peak    86 weight  0.10000E+01 volume  0.86143E-03 ppm1      6.178 ppm2      2.783 CV     1
 ASSI {   87}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 10   and name HB# ))
      3.800     1.800     1.800 peak    87 weight  0.10000E+01 volume  0.34653E-03 ppm1      6.178 ppm2      1.457 CV     1
 ASSI {   90}
   (  segid "    " and resid 97   and name HD% )
   (  segid "    " and resid 31   and name HG# )
      2.300     0.600     0.600 peak    90 weight  0.10000E+01 volume  0.72900E-02 ppm1      6.958 ppm2      0.394 CV     1
 ASSI {   91}
   (  segid "    " and resid 97   and name HD% )
   (  segid "    " and resid 33   and name HG# )
      3.000     1.100     1.100 peak    91 weight  0.10000E+01 volume  0.12577E-02 ppm1      6.957 ppm2      0.579 CV     1
 ASSI {   93}
   (  segid "    " and resid 97   and name HD% )
   (  segid "    " and resid 107  and name HD# )
      2.800     1.000     1.000 peak    93 weight  0.10000E+01 volume  0.20429E-02 ppm1      6.960 ppm2      0.869 CV     1
 ASSI {   95}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 107  and name HB# ))
      2.300     0.700     0.700 peak    95 weight  0.10000E+01 volume  0.64535E-02 ppm1      6.952 ppm2      2.058 CV     1
 ASSI {   96}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 97   and name HB# ))
      2.300     0.700     0.700 peak    96 weight  0.10000E+01 volume  0.62565E-02 ppm1      6.958 ppm2      3.048 CV     1
 ASSI {   97}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 97   and name HB# ))
      2.100     0.600     0.600 peak    97 weight  0.10000E+01 volume  0.10215E-01 ppm1      6.956 ppm2      3.306 CV     1
 ASSI {  101}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   101 weight  0.10000E+01 volume  0.96229E-03 ppm1      6.955 ppm2      4.128 CV     1
 ASSI {  102}
   (  segid "    " and resid 111  and name HD% )
   (  segid "    " and resid 111  and name HE% )
      1.800     0.400     0.400 peak   102 weight  0.10000E+01 volume  0.26404E-01 ppm1      6.831 ppm2      6.653 CV     1
 ASSI {  103}
   (  segid "    " and resid 111  and name HD% )
   (( segid "    " and resid 112  and name HA  ))
      3.400     1.500     1.500 peak   103 weight  0.10000E+01 volume  0.59201E-03 ppm1      6.832 ppm2      4.665 CV     1
 ASSI {  105}
   (  segid "    " and resid 111  and name HD% )
   (( segid "    " and resid 111  and name HB# ))
      2.400     0.700     0.700 peak   105 weight  0.10000E+01 volume  0.54800E-02 ppm1      6.831 ppm2      3.268 CV     1
 ASSI {  107}
   (  segid "    " and resid 111  and name HD% )
   (( segid "    " and resid 111  and name HB# ))
      2.200     0.600     0.600 peak   107 weight  0.10000E+01 volume  0.98697E-02 ppm1      6.833 ppm2      2.853 CV     1
 ASSI {  108}
   (  segid "    " and resid 111  and name HD% )
   (( segid "    " and resid 43   and name HG1#))
      3.200     1.300     1.300 peak   108 weight  0.10000E+01 volume  0.96277E-03 ppm1      6.831 ppm2      1.450 CV     1
 ASSI {  109}
   (  segid "    " and resid 111  and name HD% )
   (  segid "    " and resid 41   and name HB% )
      3.300     1.300     1.300 peak   109 weight  0.10000E+01 volume  0.78980E-03 ppm1      6.824 ppm2      1.612 CV     1
 ASSI {  111}
   (  segid "    " and resid 111  and name HD% )
   (  segid "    " and resid 43   and name HD# )
      2.000     0.500     0.500 peak   111 weight  0.10000E+01 volume  0.15609E-01 ppm1      6.830 ppm2      1.137 CV     1
 ASSI {  119}
   (  segid "    " and resid 111  and name HE% )
   (( segid "    " and resid 37   and name HB# ))
      2.700     0.900     0.900 peak   119 weight  0.10000E+01 volume  0.23959E-02 ppm1      6.650 ppm2      1.563 CV     1
 ASSI {  120}
   (  segid "    " and resid 111  and name HE% )
   (( segid "    " and resid 37   and name HG# ))
      2.800     1.000     1.000 peak   120 weight  0.10000E+01 volume  0.19294E-02 ppm1      6.652 ppm2      1.658 CV     1
 ASSI {  121}
   (  segid "    " and resid 111  and name HE% )
   (( segid "    " and resid 46   and name HB# ))
      2.500     0.800     0.800 peak   121 weight  0.10000E+01 volume  0.39926E-02 ppm1      6.651 ppm2      1.815 CV     1
 ASSI {  124}
   (  segid "    " and resid 117  and name HD% )
   (( segid "    " and resid 3    and name HA  ))
      2.800     1.000     1.000 peak   124 weight  0.10000E+01 volume  0.19602E-02 ppm1      6.596 ppm2      4.197 CV     1
 ASSI {  125}
   (  segid "    " and resid 117  and name HD% )
   (( segid "    " and resid 117  and name HA  ))
      2.400     0.700     0.700 peak   125 weight  0.10000E+01 volume  0.47183E-02 ppm1      6.596 ppm2      3.660 CV     1
 ASSI {  128}
   (  segid "    " and resid 117  and name HD% )
   (( segid "    " and resid 3    and name HG# ))
      3.000     1.100     1.100 peak   128 weight  0.10000E+01 volume  0.13111E-02 ppm1      6.592 ppm2      1.747 CV     1
 ASSI {  129}
   (  segid "    " and resid 117  and name HD% )
   (  segid "    " and resid 110  and name HB% )
      2.300     0.700     0.700 peak   129 weight  0.10000E+01 volume  0.62782E-02 ppm1      6.597 ppm2      1.573 CV     1
 ASSI {  130}
   (  segid "    " and resid 117  and name HD% )
   (  segid "    " and resid 38   and name HB% )
      2.600     0.800     0.800 peak   130 weight  0.10000E+01 volume  0.32105E-02 ppm1      6.594 ppm2      1.199 CV     1
 ASSI {  131}
   (  segid "    " and resid 117  and name HD% )
   (  segid "    " and resid 119  and name HD# )
      3.000     1.100     1.100 peak   131 weight  0.10000E+01 volume  0.12568E-02 ppm1      6.592 ppm2      0.781 CV     1
 ASSI {  132}
   (  segid "    " and resid 117  and name HD% )
   (  segid "    " and resid 81   and name HE% )
      3.400     1.500     1.500 peak   132 weight  0.10000E+01 volume  0.58174E-03 ppm1      6.592 ppm2      7.222 CV     1
 ASSI {  133}
   (  segid "    " and resid 117  and name HD% )
   (( segid "    " and resid 2    and name HB# ))
      3.300     1.400     1.400 peak   133 weight  0.10000E+01 volume  0.70926E-03 ppm1      6.595 ppm2      3.814 CV     1
 ASSI {  134}
   (  segid "    " and resid 117  and name HD% )
   (( segid "    " and resid 118  and name HA# ))
      4.100     2.100     1.900 peak   134 weight  0.10000E+01 volume  0.21467E-03 ppm1      6.595 ppm2      3.556 CV     1
 ASSI {  136}
   (  segid "    " and resid 63   and name HD% )
   (  segid "    " and resid 80   and name HE% )
      2.800     1.000     1.000 peak   136 weight  0.10000E+01 volume  0.18459E-02 ppm1      6.309 ppm2      6.649 CV     1
 ASSI {  140}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 60   and name HA# ))
      2.300     0.700     0.700 peak   140 weight  0.10000E+01 volume  0.67370E-02 ppm1      6.316 ppm2      4.088 CV     1
 ASSI {  141}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HA  ))
      2.000     0.500     0.500 peak   141 weight  0.10000E+01 volume  0.17493E-01 ppm1      6.316 ppm2      3.933 CV     1
 ASSI {  142}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HB# ))
      2.100     0.600     0.600 peak   142 weight  0.10000E+01 volume  0.10683E-01 ppm1      6.316 ppm2      3.105 CV     1
 ASSI {  143}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HB# ))
      2.100     0.500     0.500 peak   143 weight  0.10000E+01 volume  0.11721E-01 ppm1      6.312 ppm2      2.735 CV     1
 ASSI {  147}
   (  segid "    " and resid 63   and name HD% )
   (  segid "    " and resid 89   and name HG# )
      2.200     0.600     0.600 peak   147 weight  0.10000E+01 volume  0.80154E-02 ppm1      6.308 ppm2      1.360 CV     1
 ASSI {  148}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 78   and name HG  ))
      2.200     0.600     0.600 peak   148 weight  0.10000E+01 volume  0.93085E-02 ppm1      6.306 ppm2      1.097 CV     1
 ASSI {  149}
   (  segid "    " and resid 63   and name HD% )
   (  segid "    " and resid 59   and name HG# )
      2.300     0.600     0.600 peak   149 weight  0.10000E+01 volume  0.73311E-02 ppm1      6.316 ppm2      0.849 CV     1
 ASSI {  150}
   (  segid "    " and resid 63   and name HD% )
   (  segid "    " and resid 78   and name HD# )
      2.200     0.600     0.600 peak   150 weight  0.10000E+01 volume  0.95827E-02 ppm1      6.312 ppm2      0.452 CV     1
 ASSI {  151}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 113  and name HA  ))
      2.800     1.000     1.000 peak   151 weight  0.10000E+01 volume  0.19517E-02 ppm1      6.911 ppm2      4.822 CV     1
 ASSI {  152}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HA  ))
      2.300     0.600     0.600 peak   152 weight  0.10000E+01 volume  0.74394E-02 ppm1      6.911 ppm2      4.687 CV     1
 OR {  152}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 114   and name HA  ))
 ASSI {  153}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HB# ))
      2.000     0.500     0.500 peak   153 weight  0.10000E+01 volume  0.15925E-01 ppm1      6.913 ppm2      2.621 CV     1
 ASSI {  154}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 79   and name HB# ))
      2.000     0.500     0.500 peak   154 weight  0.10000E+01 volume  0.13213E-01 ppm1      6.911 ppm2      2.516 CV     1
 ASSI {  155}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 86   and name HG1#))
      3.500     1.500     1.500 peak   155 weight  0.10000E+01 volume  0.56805E-03 ppm1      6.911 ppm2      1.554 CV     1
 ASSI {  160} {recal BP cd 3623}
   (  segid "    " and resid 106  and name HD% )
   (( segid "    " and resid 24   and name HD# ))
      3.500     1.600     1.600 peak   160 weight  0.10000E+01 volume  0.17801E-02 ppm1      6.845 ppm2      3.227 CV     1
 ASSI {  163}
   (  segid "    " and resid 106  and name HD% )
   (( segid "    " and resid 32   and name HB# ))
      3.100     1.200     1.200 peak   163 weight  0.10000E+01 volume  0.11756E-02 ppm1      6.848 ppm2      1.843 CV     1
 ASSI {  165}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   165 weight  0.10000E+01 volume  0.47547E-02 ppm1      7.346 ppm2      4.024 CV     1
 ASSI {  166}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 64   and name HB# ))
      2.600     0.800     0.800 peak   166 weight  0.10000E+01 volume  0.34533E-02 ppm1      7.345 ppm2      3.284 CV     1
 ASSI {  167}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 64   and name HB# ))
      2.600     0.800     0.800 peak   167 weight  0.10000E+01 volume  0.32065E-02 ppm1      7.346 ppm2      3.178 CV     1
 ASSI {  168}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 68   and name HE# ))
      2.800     1.000     1.000 peak   168 weight  0.10000E+01 volume  0.18930E-02 ppm1      7.346 ppm2      2.804 CV     1
 ASSI {  172}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 68   and name HG# ))
      3.600     1.600     1.600 peak   172 weight  0.10000E+01 volume  0.43893E-03 ppm1      7.344 ppm2      1.390 CV     1
 ASSI {  173}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   173 weight  0.10000E+01 volume  0.37939E-03 ppm1      7.083 ppm2      4.451 CV     1
 ASSI {  175}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 105  and name HA  ))
      2.600     0.800     0.800 peak   175 weight  0.10000E+01 volume  0.31496E-02 ppm1      7.087 ppm2      3.593 CV     1
 ASSI {  176}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 105  and name HB# ))
      2.600     0.800     0.800 peak   176 weight  0.10000E+01 volume  0.31670E-02 ppm1      7.088 ppm2      3.470 CV     1
 ASSI {  177}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 17   and name HD# ))
      3.000     1.100     1.100 peak   177 weight  0.10000E+01 volume  0.14728E-02 ppm1      7.083 ppm2      3.135 CV     1
 ASSI {  179}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 21   and name HG# ))
      3.200     1.200     1.200 peak   179 weight  0.10000E+01 volume  0.98324E-03 ppm1      7.088 ppm2      2.030 CV     1
 ASSI {  180}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 21   and name HB# ))
      2.500     0.800     0.800 peak   180 weight  0.10000E+01 volume  0.42061E-02 ppm1      7.087 ppm2      1.903 CV     1
 ASSI {  181}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 24   and name HG# ))
      3.000     1.100     1.100 peak   181 weight  0.10000E+01 volume  0.14306E-02 ppm1      7.087 ppm2      1.623 CV     1
 ASSI {  182}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 17   and name HG# ))
      2.800     1.000     1.000 peak   182 weight  0.10000E+01 volume  0.20931E-02 ppm1      7.089 ppm2      1.739 CV     1
 ASSI {  183}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 17   and name HD# ))
      3.400     1.500     1.500 peak   183 weight  0.10000E+01 volume  0.58608E-03 ppm1      7.085 ppm2      3.371 CV     1
 ASSI {  185}
   (  segid "    " and resid 105  and name HE% )
   (( segid "    " and resid 105  and name HB# ))
      3.100     1.200     1.200 peak   185 weight  0.10000E+01 volume  0.10154E-02 ppm1      7.316 ppm2      3.483 CV     1
 ASSI {  186}
   (  segid "    " and resid 105  and name HE% )
   (( segid "    " and resid 105  and name HB# ))
      3.400     1.400     1.400 peak   186 weight  0.10000E+01 volume  0.66683E-03 ppm1      7.318 ppm2      2.934 CV     1
 ASSI {  187}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 86   and name HD# )
      2.600     0.900     0.900 peak   187 weight  0.10000E+01 volume  0.29892E-02 ppm1      7.199 ppm2      0.800 CV     1
 OR {  187}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 86   and name HG1#))
 ASSI {  191}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 81   and name HB# ))
      3.300     1.300     1.300 peak   191 weight  0.10000E+01 volume  0.80212E-03 ppm1      7.194 ppm2      2.775 CV     1
 ASSI {  193}
   (  segid "    " and resid 81   and name HE% )
   (  segid "    " and resid 81   and name HD% )
      1.700     0.400     0.500 peak   193 weight  0.10000E+01 volume  0.39952E-01 ppm1      7.199 ppm2      6.909 CV     1
 ASSI {  194}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 81   and name HB# ))
      3.000     1.100     1.100 peak   194 weight  0.10000E+01 volume  0.14087E-02 ppm1      7.192 ppm2      2.653 CV     1
 ASSI {  195}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 117  and name HD% )
      2.500     0.800     0.800 peak   195 weight  0.10000E+01 volume  0.36255E-02 ppm1      6.912 ppm2      6.586 CV     1
 ASSI {  196}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.800     0.800 peak   196 weight  0.10000E+01 volume  0.33454E-02 ppm1      6.908 ppm2      5.082 CV     1
 ASSI {  197}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 112  and name HB# ))
      3.100     1.200     1.200 peak   197 weight  0.10000E+01 volume  0.11190E-02 ppm1      6.908 ppm2      4.284 CV     1
 ASSI {  198}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 116  and name HA  ))
      3.200     1.200     1.200 peak   198 weight  0.10000E+01 volume  0.98353E-03 ppm1      6.909 ppm2      4.152 CV     1
 ASSI {  200}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 81   and name HB# ))
      2.300     0.600     0.600 peak   200 weight  0.10000E+01 volume  0.75225E-02 ppm1      6.908 ppm2      2.784 CV     1
 ASSI {  201}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 81   and name HB# ))
      2.200     0.600     0.600 peak   201 weight  0.10000E+01 volume  0.86074E-02 ppm1      6.910 ppm2      2.639 CV     1
 ASSI {  203}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 86   and name HG1#))
      2.500     0.800     0.800 peak   203 weight  0.10000E+01 volume  0.44926E-02 ppm1      6.903 ppm2      0.800 CV     1
 OR {  203}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 86   and name HD# )
 ASSI {  204}
   (  segid "    " and resid 62   and name HD% )
   (  segid "    " and resid 62   and name HE% )
      2.100     0.600     0.600 peak   204 weight  0.10000E+01 volume  0.10167E-01 ppm1      6.895 ppm2      6.518 CV     1
 ASSI {  206}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 112  and name HB# ))
      3.200     1.200     1.200 peak   206 weight  0.10000E+01 volume  0.99577E-03 ppm1      6.893 ppm2      3.936 CV     1
 ASSI {  207}
   (  segid "    " and resid 81   and name HD% )
   (( segid "    " and resid 117  and name HA  ))
      3.600     1.600     1.600 peak   207 weight  0.10000E+01 volume  0.43322E-03 ppm1      6.899 ppm2      3.668 CV     1
 ASSI {  208}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 62   and name HB# ))
      2.300     0.600     0.600 peak   208 weight  0.10000E+01 volume  0.70972E-02 ppm1      6.895 ppm2      3.271 CV     1
 ASSI {  209}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 62   and name HB# ))
      2.400     0.700     0.700 peak   209 weight  0.10000E+01 volume  0.56228E-02 ppm1      6.896 ppm2      3.143 CV     1
 ASSI {  210}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 65   and name HB# ))
      2.800     1.000     1.000 peak   210 weight  0.10000E+01 volume  0.19932E-02 ppm1      6.895 ppm2      1.793 CV     1
 ASSI {  214}
   (  segid "    " and resid 62   and name HD% )
   (( segid "    " and resid 66   and name HG1#))
      3.500     1.500     1.500 peak   214 weight  0.10000E+01 volume  0.56463E-03 ppm1      6.893 ppm2      0.437 CV     1
 ASSI {  215}
   (  segid "    " and resid 62   and name HD% )
   (  segid "    " and resid 53   and name HG# )
      3.500     1.500     1.500 peak   215 weight  0.10000E+01 volume  0.57877E-03 ppm1      6.893 ppm2      0.581 CV     1
 ASSI {  216}
   (  segid "    " and resid 62   and name HD% )
   (  segid "    " and resid 80   and name HE% )
      2.700     0.900     0.900 peak   216 weight  0.10000E+01 volume  0.23445E-02 ppm1      6.895 ppm2      6.637 CV     1
 ASSI {  217}
   (( segid "    " and resid 5    and name HZ  ))
   (  segid "    " and resid 5    and name HE% )
      2.100     0.500     0.500 peak   217 weight  0.10000E+01 volume  0.12173E-01 ppm1      7.230 ppm2      7.412 CV     1
 ASSI {  219}
   (( segid "    " and resid 5    and name HZ  ))
   (  segid "    " and resid 110  and name HB% )
      2.700     0.900     0.900 peak   219 weight  0.10000E+01 volume  0.22658E-02 ppm1      7.225 ppm2      1.547 CV     1
 ASSI {  222}
   (  segid "    " and resid 5    and name HE% )
   (  segid "    " and resid 5    and name HD% )
      1.900     0.500     0.500 peak   222 weight  0.10000E+01 volume  0.18152E-01 ppm1      7.416 ppm2      7.232 CV     1
 OR {  222}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 5    and name HZ  ))
 ASSI {  224}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 3    and name HB# ))
      3.000     1.100     1.100 peak   224 weight  0.10000E+01 volume  0.14498E-02 ppm1      7.418 ppm2      1.738 CV     1
 OR {  224}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 3    and name HG# ))
 ASSI {  232}
   (  segid "    " and resid 5    and name HD% )
   (  segid "    " and resid 5    and name HE% )
      2.200     0.600     0.600 peak   232 weight  0.10000E+01 volume  0.90065E-02 ppm1      7.213 ppm2      7.415 CV     1
 ASSI {  246}
   (  segid "    " and resid 80   and name HE% )
   (( segid "    " and resid 111  and name HB# ))
      2.800     1.000     1.000 peak   246 weight  0.10000E+01 volume  0.20320E-02 ppm1      6.662 ppm2      2.826 CV     1
 ASSI {  248}
   (  segid "    " and resid 80   and name HD% )
   (( segid "    " and resid 111  and name HB# ))
      2.700     0.900     0.900 peak   248 weight  0.10000E+01 volume  0.26830E-02 ppm1      6.803 ppm2      3.242 CV     1
 ASSI {  249}
   (  segid "    " and resid 80   and name HE% )
   (( segid "    " and resid 111  and name HB# ))
      3.000     1.100     1.100 peak   249 weight  0.10000E+01 volume  0.14573E-02 ppm1      6.656 ppm2      3.269 CV     1
 ASSI {  254}
   (  segid "    " and resid 80   and name HD% )
   (( segid "    " and resid 80   and name HZ  ))
      2.900     1.000     1.000 peak   254 weight  0.10000E+01 volume  0.17667E-02 ppm1      6.806 ppm2      6.406 CV     1
 ASSI {  257}
   (  segid "    " and resid 80   and name HE% )
   (  segid "    " and resid 80   and name HD% )
      1.800     0.400     0.400 peak   257 weight  0.10000E+01 volume  0.33457E-01 ppm1      6.660 ppm2      6.809 CV     1
 ASSI {  258}
   (( segid "    " and resid 80   and name HZ  ))
   (  segid "    " and resid 66   and name HG# )
      2.700     0.900     0.900 peak   258 weight  0.10000E+01 volume  0.25763E-02 ppm1      6.402 ppm2      0.364 CV     1
 ASSI {  259}
   (( segid "    " and resid 80   and name HZ  ))
   (( segid "    " and resid 66   and name HG1#))
      2.600     0.800     0.800 peak   259 weight  0.10000E+01 volume  0.33096E-02 ppm1      6.406 ppm2      0.445 CV     1
 ASSI {  264}
   (( segid "    " and resid 80   and name HZ  ))
   (  segid "    " and resid 80   and name HE% )
      2.300     0.700     0.700 peak   264 weight  0.10000E+01 volume  0.58286E-02 ppm1      6.402 ppm2      6.661 CV     1
 ASSI {  265}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 51   and name HD% )
      3.000     1.100     1.100 peak   265 weight  0.10000E+01 volume  0.14169E-02 ppm1      6.245 ppm2      7.070 CV     1
 ASSI {  266}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 62   and name HD% )
      3.700     1.700     1.700 peak   266 weight  0.10000E+01 volume  0.37779E-03 ppm1      6.239 ppm2      6.889 CV     1
 ASSI {  267}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 62   and name HE% )
      2.100     0.500     0.500 peak   267 weight  0.10000E+01 volume  0.11599E-01 ppm1      6.243 ppm2      6.526 CV     1
 ASSI {  270}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 35   and name HG# )
      2.200     0.600     0.600 peak   270 weight  0.10000E+01 volume  0.83506E-02 ppm1      6.243 ppm2      0.847 CV     1
 ASSI {  271}
   (( segid "    " and resid 62   and name HZ  ))
   (  segid "    " and resid 33   and name HG# )
      2.600     0.800     0.800 peak   271 weight  0.10000E+01 volume  0.35488E-02 ppm1      6.245 ppm2      0.619 CV     1
 ASSI {  275}
   (( segid "    " and resid 106  and name HZ  ))
   (( segid "    " and resid 19   and name HB# ))
      2.200     0.600     0.600 peak   275 weight  0.10000E+01 volume  0.82073E-02 ppm1      6.941 ppm2      2.357 CV     1
 ASSI {  276}
   (( segid "    " and resid 101  and name HD# ))
   (( segid "    " and resid 103  and name HA  ))
      2.300     0.700     0.700 peak   276 weight  0.10000E+01 volume  0.64835E-02 ppm1      6.964 ppm2      4.061 CV     1
 ASSI {  278}
   (( segid "    " and resid 101  and name HD# ))
   (( segid "    " and resid 101  and name HB# ))
      3.000     1.100     1.100 peak   278 weight  0.10000E+01 volume  0.12837E-02 ppm1      6.967 ppm2      2.280 CV     1
 ASSI {  279}
   (( segid "    " and resid 101  and name HD# ))
   (( segid "    " and resid 101  and name HB# ))
      3.100     1.200     1.200 peak   279 weight  0.10000E+01 volume  0.11742E-02 ppm1      6.965 ppm2      2.070 CV     1
 ASSI {  280}
   (( segid "    " and resid 11   and name HD# ))
   (  segid "    " and resid 7    and name HD% )
      3.300     1.400     1.400 peak   280 weight  0.10000E+01 volume  0.74531E-03 ppm1      6.228 ppm2      7.057 CV     1
 ASSI {  282}
   (( segid "    " and resid 11   and name HD# ))
   (( segid "    " and resid 10   and name HB# ))
      3.100     1.200     1.200 peak   282 weight  0.10000E+01 volume  0.11877E-02 ppm1      6.222 ppm2      1.481 CV     1
 ASSI {  284}
   (( segid "    " and resid 11   and name HD# ))
   (( segid "    " and resid 11   and name HB# ))
      2.900     1.000     1.000 peak   284 weight  0.10000E+01 volume  0.17224E-02 ppm1      6.225 ppm2      2.566 CV     1
 ASSI {  285}
   (  segid "    " and resid 117  and name HE% )
   (  segid "    " and resid 81   and name HD% )
      3.300     1.400     1.400 peak   285 weight  0.10000E+01 volume  0.77064E-03 ppm1      6.593 ppm2      6.895 CV     1
 ASSI {  289}
   (  segid "    " and resid 117  and name HE% )
   (( segid "    " and resid 117  and name HA  ))
      3.200     1.300     1.300 peak   289 weight  0.10000E+01 volume  0.90569E-03 ppm1      6.590 ppm2      3.659 CV     1
 ASSI {  290}
   (  segid "    " and resid 117  and name HE% )
   (  segid "    " and resid 119  and name HD# )
      3.400     1.400     1.400 peak   290 weight  0.10000E+01 volume  0.67026E-03 ppm1      6.593 ppm2      0.774 CV     1
 ASSI {  291}
   (  segid "    " and resid 117  and name HE% )
   (  segid "    " and resid 38   and name HB% )
      2.900     1.000     1.000 peak   291 weight  0.10000E+01 volume  0.17749E-02 ppm1      6.593 ppm2      1.205 CV     1
 ASSI {  293}
   (  segid "    " and resid 117  and name HE% )
   (( segid "    " and resid 3    and name HG# ))
      3.200     1.300     1.300 peak   293 weight  0.10000E+01 volume  0.84478E-03 ppm1      6.593 ppm2      1.744 CV     1
 ASSI {  295}
   (  segid "    " and resid 117  and name HE% )
   (( segid "    " and resid 39   and name HG# ))
      3.400     1.500     1.500 peak   295 weight  0.10000E+01 volume  0.58539E-03 ppm1      6.591 ppm2      2.019 CV     1
 ASSI {  296}
   (  segid "    " and resid 117  and name HE% )
   (( segid "    " and resid 117  and name HB# ))
      3.000     1.100     1.100 peak   296 weight  0.10000E+01 volume  0.13535E-02 ppm1      6.595 ppm2      2.524 CV     1
 ASSI {  305}
   (  segid "    " and resid 106  and name HD% )
   (( segid "    " and resid 34   and name HG1#))
      3.000     1.100     1.100 peak   305 weight  0.10000E+01 volume  0.12725E-02 ppm1      6.847 ppm2      0.526 CV     1
 ASSI {  307}
   (  segid "    " and resid 106  and name HD% )
   (( segid "    " and resid 32   and name HG# ))
      3.300     1.400     1.400 peak   307 weight  0.10000E+01 volume  0.72524E-03 ppm1      6.851 ppm2      2.491 CV     1
 ASSI {  309}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 20   and name HA# ))
      3.100     1.200     1.200 peak   309 weight  0.10000E+01 volume  0.10679E-02 ppm1      7.210 ppm2      4.096 CV     1
 ASSI {  310}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 20   and name HA# ))
      2.700     0.900     0.900 peak   310 weight  0.10000E+01 volume  0.24427E-02 ppm1      7.208 ppm2      3.066 CV     1
 ASSI {  311}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 19   and name HG# ))
      2.800     1.000     1.000 peak   311 weight  0.10000E+01 volume  0.20315E-02 ppm1      7.218 ppm2      2.468 CV     1
 ASSI {  312}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 19   and name HB# ))
      2.600     0.800     0.800 peak   312 weight  0.10000E+01 volume  0.31895E-02 ppm1      7.215 ppm2      2.350 CV     1
 ASSI {  313}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 19   and name HB# ))
      3.100     1.200     1.200 peak   313 weight  0.10000E+01 volume  0.10421E-02 ppm1      7.216 ppm2      2.255 CV     1
 ASSI {  314}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 32   and name HB# ))
      2.900     1.000     1.000 peak   314 weight  0.10000E+01 volume  0.17436E-02 ppm1      7.213 ppm2      1.856 CV     1
 ASSI {  315}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 50   and name HD# ))
      2.400     0.700     0.700 peak   315 weight  0.10000E+01 volume  0.53662E-02 ppm1      7.219 ppm2      1.632 CV     1
 ASSI {  316}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 50   and name HD# ))
      2.600     0.900     0.900 peak   316 weight  0.10000E+01 volume  0.30816E-02 ppm1      7.215 ppm2      1.548 CV     1
 ASSI {  317}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 50   and name HB# ))
      2.900     1.100     1.100 peak   317 weight  0.10000E+01 volume  0.15132E-02 ppm1      7.211 ppm2      1.205 CV     1
 OR {  317}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 50   and name HG# ))
 ASSI {  320}
   (( segid "    " and resid 106  and name HZ  ))
   (( segid "    " and resid 50   and name HB# ))
      3.900     1.900     1.900 peak   320 weight  0.10000E+01 volume  0.29703E-03 ppm1      6.938 ppm2      1.250 CV     1
 ASSI {  325}
   (  segid "    " and resid 105  and name HE% )
   (( segid "    " and resid 21   and name HB# ))
      2.500     0.800     0.800 peak   325 weight  0.10000E+01 volume  0.38986E-02 ppm1      7.316 ppm2      1.898 CV     1
 ASSI {  327}
   (  segid "    " and resid 105  and name HE% )
   (( segid "    " and resid 17   and name HA  ))
      3.800     1.800     1.800 peak   327 weight  0.10000E+01 volume  0.33193E-03 ppm1      7.316 ppm2      4.452 CV     1
 ASSI {  328}
   (  segid "    " and resid 105  and name HE% )
   (( segid "    " and resid 105  and name HA  ))
      3.300     1.400     1.400 peak   328 weight  0.10000E+01 volume  0.70083E-03 ppm1      7.318 ppm2      3.605 CV     1
 ASSI {  330}
   (( segid "    " and resid 105  and name HZ  ))
   (( segid "    " and resid 21   and name HB# ))
      3.700     1.700     1.700 peak   330 weight  0.10000E+01 volume  0.40380E-03 ppm1      7.345 ppm2      1.856 CV     1
 ASSI {  332}
   (( segid "    " and resid 101  and name HD# ))
   (( segid "    " and resid 101  and name HA  ))
      4.400     2.400     1.600 peak   332 weight  0.10000E+01 volume  0.14258E-03 ppm1      6.967 ppm2      4.271 CV     1
 ASSI {  336}
   (( segid "    " and resid 100  and name HD# ))
   (( segid "    " and resid 100  and name HB# ))
      2.700     0.900     0.900 peak   336 weight  0.10000E+01 volume  0.24623E-02 ppm1      6.946 ppm2      2.796 CV     1
 ASSI {  340}
   (( segid "    " and resid 100  and name HD# ))
   (  segid "    " and resid 96   and name HD# )
      2.300     0.600     0.600 peak   340 weight  0.10000E+01 volume  0.71605E-02 ppm1      6.951 ppm2      0.901 CV     1
 ASSI {  342}
   (( segid "    " and resid 100  and name HE# ))
   (( segid "    " and resid 100  and name HD# ))
      3.800     1.800     1.800 peak   342 weight  0.10000E+01 volume  0.30821E-03 ppm1      7.783 ppm2      6.950 CV     1
 ASSI {  343}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 101  and name HA  ))
      3.600     1.600     1.600 peak   343 weight  0.10000E+01 volume  0.48684E-03 ppm1      6.953 ppm2      4.267 CV     1
 ASSI {  344}
   (  segid "    " and resid 97   and name HD% )
   (( segid "    " and resid 32   and name HD# ))
      2.900     1.100     1.100 peak   344 weight  0.10000E+01 volume  0.16314E-02 ppm1      6.957 ppm2      3.401 CV     1
 ASSI {  348}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 115  and name HA  ))
      3.400     1.500     1.500 peak   348 weight  0.10000E+01 volume  0.60684E-03 ppm1      7.199 ppm2      3.360 CV     1
 ASSI {  351}
   (  segid "    " and resid 81   and name HE% )
   (( segid "    " and resid 116  and name HA  ))
      3.200     1.300     1.300 peak   351 weight  0.10000E+01 volume  0.85618E-03 ppm1      7.198 ppm2      4.143 CV     1
 ASSI {  352}
   (  segid "    " and resid 80   and name HD% )
   (( segid "    " and resid 62   and name HB# ))
      3.100     1.200     1.200 peak   352 weight  0.10000E+01 volume  0.10076E-02 ppm1      6.801 ppm2      3.135 CV     1
 ASSI {  354}
   (  segid "    " and resid 80   and name HD% )
   (  segid "    " and resid 109  and name HD# )
      3.800     1.800     1.800 peak   354 weight  0.10000E+01 volume  0.30456E-03 ppm1      6.806 ppm2      0.281 CV     1
 ASSI {  355}
   (  segid "    " and resid 80   and name HD% )
   (  segid "    " and resid 63   and name HE% )
      3.400     1.400     1.400 peak   355 weight  0.10000E+01 volume  0.63466E-03 ppm1      6.799 ppm2      6.123 CV     1
 ASSI {  356}
   (  segid "    " and resid 80   and name HE% )
   (  segid "    " and resid 63   and name HE% )
      3.700     1.700     1.700 peak   356 weight  0.10000E+01 volume  0.39194E-03 ppm1      6.663 ppm2      6.126 CV     1
 ASSI {  358}
   (  segid "    " and resid 79   and name HD% )
   (( segid "    " and resid 115  and name HB# ))
      3.300     1.300     1.300 peak   358 weight  0.10000E+01 volume  0.82402E-03 ppm1      6.905 ppm2      3.505 CV     1
 ASSI {  361}
   (( segid "    " and resid 71   and name HD# ))
   (( segid "    " and resid 71   and name HB# ))
      2.700     0.900     0.900 peak   361 weight  0.10000E+01 volume  0.23158E-02 ppm1      7.122 ppm2      3.476 CV     1
 ASSI {  363}
   (( segid "    " and resid 71   and name HD# ))
   (( segid "    " and resid 69   and name HB# ))
      3.600     1.600     1.600 peak   363 weight  0.10000E+01 volume  0.44304E-03 ppm1      7.125 ppm2      1.913 CV     1
 OR {  363}
   (( segid "    " and resid 71   and name HD# ))
   (( segid "    " and resid 69   and name HG# ))
 ASSI {  364}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   364 weight  0.10000E+01 volume  0.10900E-02 ppm1      7.342 ppm2      3.927 CV     1
 ASSI {  365}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 68   and name HG# ))
      3.700     1.700     1.700 peak   365 weight  0.10000E+01 volume  0.40380E-03 ppm1      7.344 ppm2      1.297 CV     1
 ASSI {  366}
   (  segid "    " and resid 62   and name HE% )
   (( segid "    " and resid 35   and name HB  ))
      4.200     2.200     1.800 peak   366 weight  0.10000E+01 volume  0.18319E-03 ppm1      6.518 ppm2      2.040 CV     1
 ASSI {  368}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 109  and name HG# )
      3.600     1.600     1.600 peak   368 weight  0.10000E+01 volume  0.43734E-03 ppm1      6.519 ppm2      0.468 CV     1
 ASSI {  369}
   (  segid "    " and resid 62   and name HE% )
   (  segid "    " and resid 51   and name HD% )
      3.900     1.900     1.900 peak   369 weight  0.10000E+01 volume  0.26486E-03 ppm1      6.514 ppm2      7.071 CV     1
 ASSI {  372}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 50   and name HA  ))
      4.100     2.100     1.900 peak   372 weight  0.10000E+01 volume  0.81444E-03 ppm1      6.618 ppm2      5.098 CV     1
 ASSI {  373}
   (  segid "    " and resid 51   and name HE% )
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.400     1.400 peak   373 weight  0.10000E+01 volume  0.93215E-03 ppm1      6.617 ppm2      4.450 CV     1
 ASSI {  378}
   (  segid "    " and resid 51   and name HE% )
   (  segid "    " and resid 65   and name HD# )
      2.300     0.700     0.700 peak   378 weight  0.10000E+01 volume  0.66704E-02 ppm1      6.617 ppm2      0.855 CV     1
 ASSI {  383}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.200     1.200 peak   383 weight  0.10000E+01 volume  0.12328E-02 ppm1      6.738 ppm2      3.763 CV     1
 ASSI {  384}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HB# ))
      3.000     1.100     1.100 peak   384 weight  0.10000E+01 volume  0.13697E-02 ppm1      6.736 ppm2      2.910 CV     1
 ASSI {  385}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 26   and name HB# ))
      2.600     0.800     0.800 peak   385 weight  0.10000E+01 volume  0.31583E-02 ppm1      6.736 ppm2      1.471 CV     1
 ASSI {  387}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 52   and name HB# ))
      3.700     1.800     1.800 peak   387 weight  0.10000E+01 volume  0.35589E-03 ppm1      6.736 ppm2      1.262 CV     1
 ASSI {  389}
   (  segid "    " and resid 27   and name HE% )
   (  segid "    " and resid 23   and name HG2# )
      3.600     1.600     1.600 peak   389 weight  0.10000E+01 volume  0.43414E-03 ppm1      6.738 ppm2      0.861 CV     1
 OR {  389}
   (  segid "    " and resid 27   and name HE% )
   (  segid "    " and resid 23   and name HD# )
 ASSI {  390}
   (  segid "    " and resid 27   and name HE% )
   (  segid "    " and resid 52   and name HD# )
      2.700     0.900     0.900 peak   390 weight  0.10000E+01 volume  0.23521E-02 ppm1      6.732 ppm2      0.493 CV     1
 ASSI {  392}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 23   and name HG1#))
      3.800     1.800     1.800 peak   392 weight  0.10000E+01 volume  0.31004E-03 ppm1      6.731 ppm2      1.820 CV     1
 ASSI {  398}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HZ  ))
      1.900     0.500     0.500 peak   398 weight  0.10000E+01 volume  0.17907E-01 ppm1      7.156 ppm2      7.279 CV     1
 OR {  398}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 13   and name HD% )
 ASSI {  399}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 104  and name HA  ))
      3.000     1.100     1.100 peak   399 weight  0.10000E+01 volume  0.14300E-02 ppm1      7.160 ppm2      4.135 CV     1
 ASSI {  403}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 17   and name HG# ))
      3.700     1.700     1.700 peak   403 weight  0.10000E+01 volume  0.37962E-03 ppm1      7.161 ppm2      1.716 CV     1
 ASSI {  404}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 17   and name HG# ))
      3.200     1.300     1.300 peak   404 weight  0.10000E+01 volume  0.94790E-03 ppm1      7.153 ppm2      1.795 CV     1
 ASSI {  406}
   (( segid "    " and resid 81   and name HZ  ))
   (( segid "    " and resid 79   and name HB# ))
      3.800     1.800     1.800 peak   406 weight  0.10000E+01 volume  0.32190E-03 ppm1      7.156 ppm2      2.602 CV     1
 ASSI {  407}
   (( segid "    " and resid 81   and name HZ  ))
   (( segid "    " and resid 112  and name HB# ))
      3.700     1.700     1.700 peak   407 weight  0.10000E+01 volume  0.37094E-03 ppm1      7.162 ppm2      4.278 CV     1
 ASSI {  408}
   (( segid "    " and resid 81   and name HZ  ))
   (( segid "    " and resid 112  and name HB# ))
      3.800     1.800     1.800 peak   408 weight  0.10000E+01 volume  0.32851E-03 ppm1      7.157 ppm2      3.898 CV     1
 ASSI {  413}
   (  segid "    " and resid 63   and name HE% )
   (( segid "    " and resid 63   and name HB# ))
      2.900     1.000     1.000 peak   413 weight  0.10000E+01 volume  0.17096E-02 ppm1      6.135 ppm2      3.112 CV     1
 ASSI {  416}
   (  segid "    " and resid 63   and name HE% )
   (( segid "    " and resid 78   and name HG  ))
      2.500     0.800     0.800 peak   416 weight  0.10000E+01 volume  0.44792E-02 ppm1      6.130 ppm2      1.122 CV     1
 ASSI {  422}
   (( segid "    " and resid 13   and name HZ  ))
   (( segid "    " and resid 104  and name HB# ))
      2.900     1.100     1.100 peak   422 weight  0.10000E+01 volume  0.16373E-02 ppm1      7.281 ppm2      3.099 CV     1
 ASSI {  425}
   (( segid "    " and resid 13   and name HZ  ))
   (( segid "    " and resid 17   and name HD# ))
      3.600     1.600     1.600 peak   425 weight  0.10000E+01 volume  0.43437E-03 ppm1      7.280 ppm2      3.327 CV     1
 ASSI {  429}
   (( segid "    " and resid 79   and name HZ  ))
   (  segid "    " and resid 77   and name HB% )
      2.900     1.000     1.000 peak   429 weight  0.10000E+01 volume  0.16854E-02 ppm1      7.238 ppm2      1.421 CV     1
 ASSI {  430}
   (( segid "    " and resid 79   and name HZ  ))
   (( segid "    " and resid 115  and name HB# ))
      3.000     1.200     1.200 peak   430 weight  0.10000E+01 volume  0.12285E-02 ppm1      7.234 ppm2      3.472 CV     1
 ASSI {  431}
   (( segid "    " and resid 79   and name HZ  ))
   (( segid "    " and resid 114  and name HA  ))
      3.700     1.800     1.800 peak   431 weight  0.10000E+01 volume  0.35498E-03 ppm1      7.234 ppm2      4.638 CV     1
 ASSI {  440}
   (  segid "    " and resid 79   and name HE% )
   (  segid "    " and resid 79   and name HD% )
      1.700     0.400     0.500 peak   440 weight  0.10000E+01 volume  0.39644E-01 ppm1      7.220 ppm2      6.909 CV     1
 ASSI {  442}
   (  segid "    " and resid 106  and name HE% )
   (  segid "    " and resid 106  and name HD% )
      1.800     0.400     0.400 peak   442 weight  0.10000E+01 volume  0.29881E-01 ppm1      7.210 ppm2      6.860 CV     1
 ASSI {  446}
   (  segid "    " and resid 106  and name HE% )
   (( segid "    " and resid 34   and name HG1#))
      4.200     2.200     1.800 peak   446 weight  0.10000E+01 volume  0.18159E-03 ppm1      7.208 ppm2      0.536 CV     1
 ASSI {  449}
   (  segid "    " and resid 80   and name HD% )
   (  segid "    " and resid 66   and name HG# )
      3.400     1.400     1.400 peak   449 weight  0.10000E+01 volume  0.65885E-03 ppm1      6.803 ppm2      0.379 CV     1
 ASSI {  451}
   (  segid "    " and resid 117  and name HD% )
   (( segid "    " and resid 81   and name HZ  ))
      4.600     2.600     1.400 peak   451 weight  0.10000E+01 volume  0.10585E-03 ppm1      6.588 ppm2      7.150 CV     1
 ASSI {  453}
   (  segid "    " and resid 117  and name HD% )
   (( segid "    " and resid 119  and name HB# ))
      3.400     1.500     1.500 peak   453 weight  0.10000E+01 volume  0.61345E-03 ppm1      6.593 ppm2      1.452 CV     1
 OR {  453}
   (  segid "    " and resid 117  and name HD% )
   (( segid "    " and resid 119  and name HG  ))
 ASSI {  454}
   (  segid "    " and resid 117  and name HE% )
   (( segid "    " and resid 112  and name HB# ))
      3.800     1.800     1.800 peak   454 weight  0.10000E+01 volume  0.33353E-03 ppm1      6.587 ppm2      3.928 CV     1
 ASSI {  455}
   (  segid "    " and resid 117  and name HE% )
   (( segid "    " and resid 81   and name HB# ))
      3.900     1.900     1.900 peak   455 weight  0.10000E+01 volume  0.27308E-03 ppm1      6.594 ppm2      2.757 CV     1
 ASSI {  456}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 17   and name HB# ))
      4.800     2.900     1.200 peak   456 weight  0.10000E+01 volume  0.76653E-04 ppm1      7.152 ppm2      1.452 CV     1
 ASSI {  458}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 17   and name HB# ))
      4.900     3.000     1.100 peak   458 weight  0.10000E+01 volume  0.69809E-04 ppm1      7.154 ppm2      0.915 CV     1
 ASSI {  460}
   (( segid "    " and resid 13   and name HZ  ))
   (  segid "    " and resid 13   and name HE% )
      2.000     0.500     0.500 peak   460 weight  0.10000E+01 volume  0.14008E-01 ppm1      7.287 ppm2      7.158 CV     1
 ASSI {  471}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 66   and name HB  ))
      3.500     1.500     1.500 peak   471 weight  0.10000E+01 volume  0.52334E-03 ppm1      6.308 ppm2      1.776 CV     1
 ASSI {  479}
   (  segid "    " and resid 51   and name HD% )
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.200     1.200 peak   479 weight  0.10000E+01 volume  0.97712E-03 ppm1      7.062 ppm2      5.001 CV     1
 ASSI {  480}
   (  segid "    " and resid 97   and name HD% )
   (  segid "    " and resid 97   and name HE% )
      2.300     0.600     0.600 peak   480 weight  0.10000E+01 volume  0.72688E-02 ppm1      6.958 ppm2      6.669 CV     1
 ASSI {  481}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 34   and name HB  ))
      4.600     2.600     1.400 peak   481 weight  0.10000E+01 volume  0.10335E-03 ppm1      7.424 ppm2      1.282 CV     1
 ASSI {  485}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 30   and name HD# ))
      6.000     4.500     0.000 peak   485 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.736 ppm2      2.702 CV     1
 ASSI {  281}
   (( segid "    " and resid 11   and name HD# ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   281 weight  0.20000E+01 volume  0.24198E-02 ppm1      6.234 ppm2      4.366 CV     1
 ASSI {  400}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 17   and name HD# ))
      2.400     0.700     0.700 peak   400 weight  0.20000E+01 volume  0.53062E-02 ppm1      7.156 ppm2      3.351 CV     1
 ASSI {   49}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak    49 weight  0.20000E+01 volume  0.84289E-02 ppm1      7.163 ppm2      5.085 CV     1
 ASSI {   82}
   (  segid "    " and resid 7    and name HD% )
   (  segid "    " and resid 34   and name HG# )
      3.200     1.300     1.300 peak    82 weight  0.20000E+01 volume  0.87649E-03 ppm1      7.154 ppm2      0.630 CV     1
 ASSI {  478}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 50   and name HB# ))
      3.500     1.600     1.600 peak   478 weight  0.20000E+01 volume  0.49460E-03 ppm1      7.162 ppm2      1.228 CV     1
 ASSI {   71}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 33   and name HG# )
      2.700     0.900     0.900 peak    71 weight  0.20000E+01 volume  0.23170E-02 ppm1      7.068 ppm2      0.639 CV     1
 ASSI {  171}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 65   and name HD# )
      3.300     1.400     1.400 peak   171 weight  0.20000E+01 volume  0.69421E-03 ppm1      7.346 ppm2      0.836 CV     1
 ASSI {  139}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   139 weight  0.20000E+01 volume  0.11801E-02 ppm1      6.312 ppm2      4.692 CV     1
 ASSI {  252}
   (  segid "    " and resid 80   and name HE% )
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak   252 weight  0.20000E+01 volume  0.10558E-02 ppm1      6.658 ppm2      6.031 CV     1
 ASSI {  410}
   (( segid "    " and resid 81   and name HZ  ))
   (  segid "    " and resid 86   and name HD# )
      3.100     1.200     1.200 peak   410 weight  0.20000E+01 volume  0.10134E-02 ppm1      7.179 ppm2      0.815 CV     1
 ASSI {  423}
   (( segid "    " and resid 13   and name HZ  ))
   (( segid "    " and resid 103  and name HG# ))
      2.500     0.800     0.800 peak   423 weight  0.20000E+01 volume  0.35977E-02 ppm1      7.287 ppm2      2.422 CV     1
 ASSI {  402}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 104  and name HB# ))
      2.500     0.800     0.800 peak   402 weight  0.20000E+01 volume  0.44801E-02 ppm1      7.157 ppm2      2.421 CV     1
 ASSI {  322}
   (( segid "    " and resid 106  and name HZ  ))
   (( segid "    " and resid 19   and name HG# ))
      2.600     0.900     0.900 peak   322 weight  0.20000E+01 volume  0.30306E-02 ppm1      6.939 ppm2      2.440 CV     1
 ASSI {  474}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 3    and name HB# ))
      3.600     1.700     1.700 peak   474 weight  0.20000E+01 volume  0.41999E-03 ppm1      6.354 ppm2      1.859 CV     1
 ASSI {  301}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 5    and name HB# ))
      3.000     1.100     1.100 peak   301 weight  0.20000E+01 volume  0.13789E-02 ppm1      6.340 ppm2      3.070 CV     1
 ASSI {  470}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 5    and name HB# ))
      4.000     2.000     2.000 peak   470 weight  0.20000E+01 volume  0.25254E-03 ppm1      6.360 ppm2      2.627 CV     1
 ASSI {  299}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 5    and name HZ  ))
      2.900     1.000     1.000 peak   299 weight  0.20000E+01 volume  0.16790E-02 ppm1      6.343 ppm2      7.228 CV     1
 ASSI {  302}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 8    and name HB# ))
      2.700     0.900     0.900 peak   302 weight  0.20000E+01 volume  0.26741E-02 ppm1      6.344 ppm2      1.408 CV     1
 ASSI {  146}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 34   and name HB  ))
      2.700     0.900     0.900 peak   146 weight  0.20000E+01 volume  0.23206E-02 ppm1      6.340 ppm2      1.259 CV     1
 ASSI {  300}
   (  segid "    " and resid 108  and name HD% )
   (( segid "    " and resid 108  and name HA  ))
      3.200     1.200     1.200 peak   300 weight  0.20000E+01 volume  0.99874E-03 ppm1      6.346 ppm2      4.665 CV     1
 ASSI {  137}
   (  segid "    " and resid 108  and name HD% )
   (  segid "    " and resid 108  and name HE% )
      2.500     0.800     0.800 peak   137 weight  0.20000E+01 volume  0.38064E-02 ppm1      6.334 ppm2      6.804 CV     1
 ASSI {  218}
   (  segid "    " and resid 79   and name HE% )
   (( segid "    " and resid 114  and name HA  ))
      2.700     0.900     0.900 peak   218 weight  0.20000E+01 volume  0.23315E-02 ppm1      7.226 ppm2      4.641 CV     1
 ASSI {    1}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     0.900     0.900 peak     1 weight  0.10000E+01 volume  0.27789E-02 ppm1      4.819 ppm2      9.107 CV     1
 ASSI {    3}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HB  ))
      3.600     1.600     1.600 peak     3 weight  0.10000E+01 volume  0.47648E-03 ppm1      4.821 ppm2      2.402 CV     1
 ASSI {   17}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 112  and name HA  ))
      2.400     0.700     0.700 peak    17 weight  0.10000E+01 volume  0.45921E-02 ppm1      4.274 ppm2      4.663 CV     1
 ASSI {   24}
   (( segid "    " and resid 112  and name HB# ))
   (  segid "    " and resid 81   and name HE% )
      2.600     0.800     0.800 peak    24 weight  0.10000E+01 volume  0.34074E-02 ppm1      3.916 ppm2      7.203 CV     1
 ASSI {   25}
   (( segid "    " and resid 112  and name HB# ))
   (  segid "    " and resid 81   and name HE% )
      2.400     0.700     0.700 peak    25 weight  0.10000E+01 volume  0.48768E-02 ppm1      4.287 ppm2      7.203 CV     1
 ASSI {   30}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 38   and name HB% )
      4.800     2.900     1.200 peak    30 weight  0.10000E+01 volume  0.79321E-04 ppm1      4.227 ppm2      1.214 CV     1
 ASSI {   69}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 107  and name HD# )
      2.400     0.700     0.700 peak    69 weight  0.10000E+01 volume  0.54895E-02 ppm1      3.855 ppm2      0.888 CV     1
 ASSI {   72}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 97   and name HD% )
      2.400     0.700     0.700 peak    72 weight  0.10000E+01 volume  0.47552E-02 ppm1      3.851 ppm2      6.946 CV     1
 ASSI {   77}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HD% )
      2.400     0.700     0.700 peak    77 weight  0.10000E+01 volume  0.49871E-02 ppm1      3.962 ppm2      7.296 CV     1
 ASSI {   84}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.100     1.100 peak    84 weight  0.10000E+01 volume  0.14988E-02 ppm1      4.366 ppm2      7.153 CV     1
 ASSI {   86}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB# ))
      2.000     0.500     0.500 peak    86 weight  0.10000E+01 volume  0.13527E-01 ppm1      4.613 ppm2      2.106 CV     1
 ASSI {   88}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.300     1.300 peak    88 weight  0.10000E+01 volume  0.80180E-03 ppm1      4.606 ppm2      3.964 CV     1
 ASSI {   94}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD# ))
      2.400     0.700     0.700 peak    94 weight  0.10000E+01 volume  0.47675E-02 ppm1      4.036 ppm2      2.798 CV     1
 ASSI {  107}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB# ))
      2.400     0.700     0.700 peak   107 weight  0.10000E+01 volume  0.45982E-02 ppm1      4.263 ppm2      1.890 CV     1
 ASSI {  114}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HG# )
      1.800     0.400     0.400 peak   114 weight  0.10000E+01 volume  0.27529E-01 ppm1      4.138 ppm2      0.748 CV     1
 ASSI {  116}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 81   and name HE% )
      2.300     0.700     0.700 peak   116 weight  0.10000E+01 volume  0.65357E-02 ppm1      4.137 ppm2      7.179 CV     1
 OR {  116}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 81   and name HZ  ))
 ASSI {  117}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HB# ))
      2.700     0.900     0.900 peak   117 weight  0.10000E+01 volume  0.24633E-02 ppm1      4.477 ppm2      1.796 CV     1
 ASSI {  123}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HE% )
      3.700     1.700     1.700 peak   123 weight  0.10000E+01 volume  0.39460E-03 ppm1      4.463 ppm2      6.527 CV     1
 ASSI {  124}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      2.100     0.500     0.500 peak   124 weight  0.10000E+01 volume  0.11901E-01 ppm1      4.463 ppm2      6.900 CV     1
 ASSI {  131}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HG# )
      3.500     1.500     1.500 peak   131 weight  0.10000E+01 volume  0.55760E-03 ppm1      5.132 ppm2      0.585 CV     1
 ASSI {  137}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 93   and name HG# ))
      5.400     3.600     0.600 peak   137 weight  0.10000E+01 volume  0.39280E-04 ppm1      4.996 ppm2      2.175 CV     1
 ASSI {  138}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 93   and name HG# ))
      4.000     2.000     2.000 peak   138 weight  0.10000E+01 volume  0.24087E-03 ppm1      4.988 ppm2      2.403 CV     1
 ASSI {  139}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak   139 weight  0.10000E+01 volume  0.82511E-02 ppm1      4.996 ppm2      4.844 CV     1
 OR {  139}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 92   and name HB  ))
 ASSI {  147}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HD# ))
      2.000     0.500     0.500 peak   147 weight  0.10000E+01 volume  0.13914E-01 ppm1      4.853 ppm2      3.961 CV     1
 ASSI {  149}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HG1#))
      3.600     1.600     1.600 peak   149 weight  0.10000E+01 volume  0.44032E-03 ppm1      4.702 ppm2      0.818 CV     1
 OR {  149}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 86   and name HD# )
 ASSI {  152}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
      3.900     1.900     1.900 peak   152 weight  0.10000E+01 volume  0.28292E-03 ppm1      4.691 ppm2      6.900 CV     1
 ASSI {  154}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD# )
      2.100     0.500     0.500 peak   154 weight  0.10000E+01 volume  0.12053E-01 ppm1      4.440 ppm2      1.107 CV     1
 OR {  154}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG2# )
 ASSI {  155}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG1#))
      2.700     0.900     0.900 peak   155 weight  0.10000E+01 volume  0.27188E-02 ppm1      4.438 ppm2      1.447 CV     1
 ASSI {  158}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 111  and name HE% )
      5.800     4.300     0.200 peak   158 weight  0.10000E+01 volume  0.24247E-04 ppm1      4.437 ppm2      6.643 CV     1
 ASSI {  161}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HG# )
      2.200     0.600     0.600 peak   161 weight  0.10000E+01 volume  0.83272E-02 ppm1      4.550 ppm2      0.818 CV     1
 ASSI {  177}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 92   and name HG# )
      2.200     0.600     0.600 peak   177 weight  0.10000E+01 volume  0.79309E-02 ppm1      4.917 ppm2      1.237 CV     1
 ASSI {  178}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 91   and name HB% )
      4.100     2.100     1.900 peak   178 weight  0.10000E+01 volume  0.21510E-03 ppm1      4.923 ppm2      1.507 CV     1
 ASSI {  186}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      3.600     1.600     1.600 peak   186 weight  0.10000E+01 volume  0.42791E-03 ppm1      5.119 ppm2      4.781 CV     1
 ASSI {  187}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 97   and name HD% )
      3.600     1.600     1.600 peak   187 weight  0.10000E+01 volume  0.44801E-03 ppm1      5.113 ppm2      6.938 CV     1
 ASSI {  194}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB# ))
      3.500     1.600     1.600 peak   194 weight  0.10000E+01 volume  0.49359E-03 ppm1      4.777 ppm2      3.101 CV     1
 ASSI {  195}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HD% )
      2.900     1.000     1.000 peak   195 weight  0.10000E+01 volume  0.17679E-02 ppm1      4.769 ppm2      6.853 CV     1
 ASSI {  206}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG1#))
      2.600     0.800     0.800 peak   206 weight  0.10000E+01 volume  0.31246E-02 ppm1      5.203 ppm2      0.808 CV     1
 ASSI {  221}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB# ))
      2.100     0.500     0.500 peak   221 weight  0.10000E+01 volume  0.12756E-01 ppm1      4.495 ppm2      3.824 CV     1
 ASSI {  235}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   235 weight  0.10000E+01 volume  0.40325E-03 ppm1      4.417 ppm2      9.113 CV     1
 ASSI {  239}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD% )
      2.400     0.700     0.700 peak   239 weight  0.10000E+01 volume  0.55590E-02 ppm1      4.730 ppm2      7.203 CV     1
 ASSI {  242}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 78   and name HG  ))
      3.100     1.200     1.200 peak   242 weight  0.10000E+01 volume  0.11310E-02 ppm1      4.709 ppm2      1.121 CV     1
 OR {  242}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 78   and name HB# ))
 ASSI {  244}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 63   and name HE% )
      2.200     0.600     0.600 peak   244 weight  0.10000E+01 volume  0.86624E-02 ppm1      4.704 ppm2      6.131 CV     1
 ASSI {  255}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 33   and name HG# )
      2.700     0.900     0.900 peak   255 weight  0.10000E+01 volume  0.22461E-02 ppm1      4.939 ppm2      0.613 CV     1
 ASSI {  256}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 35   and name HG# )
      3.700     1.800     1.800 peak   256 weight  0.10000E+01 volume  0.34437E-03 ppm1      4.929 ppm2      0.842 CV     1
 ASSI {  258}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 50   and name HB# ))
      5.200     3.300     0.800 peak   258 weight  0.10000E+01 volume  0.49810E-04 ppm1      4.926 ppm2      1.641 CV     1
 OR {  258}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 50   and name HD# ))
 ASSI {  271}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB# ))
      2.300     0.700     0.700 peak   271 weight  0.10000E+01 volume  0.62754E-02 ppm1      4.655 ppm2      2.705 CV     1
 ASSI {  283}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 43   and name HD# )
      2.500     0.800     0.800 peak   283 weight  0.10000E+01 volume  0.39101E-02 ppm1      4.667 ppm2      1.121 CV     1
 ASSI {  284}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 37   and name HG# ))
      5.000     3.100     1.000 peak   284 weight  0.10000E+01 volume  0.62209E-04 ppm1      4.665 ppm2      0.861 CV     1
 ASSI {  287}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 81   and name HE% )
      3.900     1.900     1.900 peak   287 weight  0.10000E+01 volume  0.28486E-03 ppm1      4.666 ppm2      7.179 CV     1
 ASSI {  291}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB# ))
      2.000     0.500     0.500 peak   291 weight  0.10000E+01 volume  0.13903E-01 ppm1      4.542 ppm2      1.657 CV     1
 ASSI {  292}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD% )
      4.000     2.000     2.000 peak   292 weight  0.10000E+01 volume  0.22591E-03 ppm1      4.543 ppm2      7.226 CV     1
 ASSI {  297}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB# ))
      3.400     1.500     1.500 peak   297 weight  0.10000E+01 volume  0.60339E-03 ppm1      4.489 ppm2      2.798 CV     1
 ASSI {  303}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 79   and name HD% )
      3.300     1.400     1.400 peak   303 weight  0.10000E+01 volume  0.68292E-03 ppm1      4.636 ppm2      6.923 CV     1
 ASSI {  309}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG# ))
      2.200     0.600     0.600 peak   309 weight  0.10000E+01 volume  0.89664E-02 ppm1      4.974 ppm2      2.603 CV     1
 ASSI {  310}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 111  and name HE% )
      3.200     1.200     1.200 peak   310 weight  0.10000E+01 volume  0.96698E-03 ppm1      4.971 ppm2      6.643 CV     1
 ASSI {  311}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 111  and name HD% )
      4.200     2.200     1.800 peak   311 weight  0.10000E+01 volume  0.17444E-03 ppm1      4.967 ppm2      6.830 CV     1
 ASSI {  312}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 5    and name HD% )
      4.900     3.000     1.100 peak   312 weight  0.10000E+01 volume  0.72047E-04 ppm1      4.959 ppm2      7.226 CV     1
 ASSI {  316}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 72   and name HB# ))
      3.300     1.300     1.300 peak   316 weight  0.10000E+01 volume  0.77270E-03 ppm1      4.639 ppm2      1.703 CV     1
 OR {  316}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 ASSI {  322}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB# ))
      2.500     0.800     0.800 peak   322 weight  0.10000E+01 volume  0.39926E-02 ppm1      4.550 ppm2      1.097 CV     1
 ASSI {  324}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 79   and name HD% )
      4.500     2.600     1.500 peak   324 weight  0.10000E+01 volume  0.11222E-03 ppm1      4.533 ppm2      6.923 CV     1
 ASSI {  326}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB# ))
      2.400     0.700     0.700 peak   326 weight  0.10000E+01 volume  0.54571E-02 ppm1      4.488 ppm2      1.377 CV     1
 ASSI {  327}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB# ))
      2.100     0.500     0.500 peak   327 weight  0.10000E+01 volume  0.11348E-01 ppm1      4.492 ppm2      1.680 CV     1
 ASSI {  328}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 67   and name HD# ))
      4.100     2.100     1.900 peak   328 weight  0.10000E+01 volume  0.19168E-03 ppm1      4.485 ppm2      2.791 CV     1
 ASSI {  329}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 37   and name HE# ))
      3.200     1.300     1.300 peak   329 weight  0.10000E+01 volume  0.86734E-03 ppm1      4.780 ppm2      3.008 CV     1
 ASSI {  332}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 37   and name HD# ))
      2.800     0.900     0.900 peak   332 weight  0.10000E+01 volume  0.21973E-02 ppm1      4.773 ppm2      1.657 CV     1
 ASSI {  335}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 43   and name HG# )
      2.400     0.700     0.700 peak   335 weight  0.10000E+01 volume  0.47799E-02 ppm1      4.822 ppm2      1.121 CV     1
 OR {  335}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 43   and name HD# )
 ASSI {  341}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 79   and name HE% )
      4.100     2.100     1.900 peak   341 weight  0.10000E+01 volume  0.19231E-03 ppm1      4.836 ppm2      7.226 CV     1
 ASSI {  352}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB# ))
      2.400     0.700     0.700 peak   352 weight  0.10000E+01 volume  0.46735E-02 ppm1      4.865 ppm2      1.307 CV     1
 ASSI {  356}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HG# ))
      3.500     1.500     1.500 peak   356 weight  0.10000E+01 volume  0.50904E-03 ppm1      5.095 ppm2      1.425 CV     1
 OR {  356}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HB# ))
 ASSI {  362}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HE% )
      4.200     2.200     1.800 peak   362 weight  0.10000E+01 volume  0.16862E-03 ppm1      5.100 ppm2      6.737 CV     1
 ASSI {  368}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.100     0.500     0.500 peak   368 weight  0.10000E+01 volume  0.11896E-01 ppm1      4.704 ppm2      8.834 CV     1
 ASSI {  371}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB# ))
      2.000     0.500     0.500 peak   371 weight  0.10000E+01 volume  0.17086E-01 ppm1      4.673 ppm2      2.659 CV     1
 ASSI {  381}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name HB# ))
      4.000     2.000     2.000 peak   381 weight  0.10000E+01 volume  0.22903E-03 ppm1      4.479 ppm2      1.831 CV     1
 ASSI {  386}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 88   and name HB# ))
      4.100     2.100     1.900 peak   386 weight  0.10000E+01 volume  0.20374E-03 ppm1      4.513 ppm2      2.053 CV     1
 ASSI {  387}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 88   and name HG# ))
      3.500     1.500     1.500 peak   387 weight  0.10000E+01 volume  0.51119E-03 ppm1      4.503 ppm2      2.169 CV     1
 ASSI {  390}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB# ))
      2.800     1.000     1.000 peak   390 weight  0.10000E+01 volume  0.18588E-02 ppm1      5.028 ppm2      2.562 CV     1
 ASSI {  400}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 63   and name HE% )
      4.100     2.100     1.900 peak   400 weight  0.10000E+01 volume  0.20638E-03 ppm1      3.897 ppm2      6.131 CV     1
 ASSI {  401}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB# ))
      2.000     0.500     0.500 peak   401 weight  0.10000E+01 volume  0.15435E-01 ppm1      4.259 ppm2      4.033 CV     1
 ASSI {  406}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 111  and name HE% )
      4.300     2.300     1.700 peak   406 weight  0.10000E+01 volume  0.15033E-03 ppm1      4.411 ppm2      6.643 CV     1
 ASSI {  409}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB# ))
      2.200     0.600     0.600 peak   409 weight  0.10000E+01 volume  0.28264E-01 ppm1      4.495 ppm2      1.641 CV     1
 ASSI {  410}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 43   and name HD# )
      3.700     1.700     1.700 peak   410 weight  0.10000E+01 volume  0.35781E-03 ppm1      4.480 ppm2      1.113 CV     1
 OR {  410}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 43   and name HG# )
 ASSI {  418}
   (  segid "    " and resid 66   and name HD# )
   (( segid "    " and resid 69   and name HD# ))
      2.500     0.800     0.800 peak   418 weight  0.10000E+01 volume  0.35259E-02 ppm1     -0.123 ppm2      3.306 CV     1
 ASSI {  421}
   (  segid "    " and resid 66   and name HD# )
   (  segid "    " and resid 51   and name HE% )
      2.300     0.700     0.700 peak   421 weight  0.10000E+01 volume  0.61651E-02 ppm1     -0.119 ppm2      6.631 CV     1
 ASSI {  422}
   (  segid "    " and resid 66   and name HD# )
   (  segid "    " and resid 62   and name HD% )
      3.000     1.100     1.100 peak   422 weight  0.10000E+01 volume  0.13094E-02 ppm1     -0.127 ppm2      6.898 CV     1
 ASSI {  423}
   (  segid "    " and resid 66   and name HD# )
   (  segid "    " and resid 51   and name HD% )
      3.000     1.100     1.100 peak   423 weight  0.10000E+01 volume  0.13693E-02 ppm1     -0.125 ppm2      7.068 CV     1
 ASSI {  430}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 50   and name HD# ))
      2.600     0.800     0.800 peak   430 weight  0.10000E+01 volume  0.31690E-02 ppm1     -0.568 ppm2      1.624 CV     1
 OR {  430}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 50   and name HB# ))
 ASSI {  435}
   (  segid "    " and resid 34   and name HD# )
   (  segid "    " and resid 7    and name HE% )
      2.800     1.000     1.000 peak   435 weight  0.10000E+01 volume  0.21266E-02 ppm1     -0.563 ppm2      6.172 CV     1
 ASSI {  436}
   (  segid "    " and resid 34   and name HD# )
   (  segid "    " and resid 106  and name HD% )
      2.600     0.800     0.800 peak   436 weight  0.10000E+01 volume  0.30442E-02 ppm1     -0.555 ppm2      6.877 CV     1
 ASSI {  438}
   (  segid "    " and resid 34   and name HD# )
   (  segid "    " and resid 106  and name HE% )
      2.600     0.800     0.800 peak   438 weight  0.10000E+01 volume  0.31658E-02 ppm1     -0.563 ppm2      7.178 CV     1
 ASSI {  441}
   (  segid "    " and resid 109  and name HD# )
   (  segid "    " and resid 33   and name HG# )
      2.000     0.500     0.500 peak   441 weight  0.10000E+01 volume  0.14152E-01 ppm1      0.291 ppm2      0.657 CV     1
 ASSI {  451}
   (  segid "    " and resid 109  and name HD# )
   (  segid "    " and resid 62   and name HD% )
      2.600     0.900     0.900 peak   451 weight  0.10000E+01 volume  0.28983E-02 ppm1      0.295 ppm2      6.909 CV     1
 ASSI {  460}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.500     1.500 peak   460 weight  0.10000E+01 volume  0.57880E-03 ppm1      0.816 ppm2      4.683 CV     1
 ASSI {  462}
   (  segid "    " and resid 86   and name HD# )
   (  segid "    " and resid 79   and name HD% )
      2.200     0.600     0.600 peak   462 weight  0.10000E+01 volume  0.75697E-02 ppm1      0.829 ppm2      6.912 CV     1
 ASSI {  463}
   (  segid "    " and resid 86   and name HD# )
   (  segid "    " and resid 81   and name HE% )
      2.200     0.600     0.600 peak   463 weight  0.10000E+01 volume  0.90799E-02 ppm1      0.825 ppm2      7.206 CV     1
 ASSI {  465}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 23   and name HG1#))
      1.900     0.400     0.400 peak   465 weight  0.10000E+01 volume  0.23380E-01 ppm1      0.878 ppm2      1.196 CV     1
 ASSI {  466}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 32   and name HG# ))
      2.700     0.900     0.900 peak   466 weight  0.10000E+01 volume  0.24209E-02 ppm1      0.869 ppm2      1.421 CV     1
 ASSI {  477}
   (  segid "    " and resid 23   and name HD# )
   (  segid "    " and resid 106  and name HE% )
      2.400     0.700     0.700 peak   477 weight  0.10000E+01 volume  0.44310E-02 ppm1      0.880 ppm2      7.205 CV     1
 ASSI {  479}
   (  segid "    " and resid 70   and name HD# )
   (  segid "    " and resid 72   and name HD# )
      1.800     0.400     0.400 peak   479 weight  0.10000E+01 volume  0.26536E-01 ppm1      0.460 ppm2      0.867 CV     1
 ASSI {  480}
   (  segid "    " and resid 70   and name HD# )
   (  segid "    " and resid 43   and name HG# )
      2.100     0.500     0.500 peak   480 weight  0.10000E+01 volume  0.12233E-01 ppm1      0.460 ppm2      1.126 CV     1
 OR {  480}
   (  segid "    " and resid 70   and name HD# )
   (  segid "    " and resid 43   and name HD# )
 ASSI {  482}
   (  segid "    " and resid 70   and name HD# )
   (( segid "    " and resid 70   and name HB  ))
      2.000     0.500     0.500 peak   482 weight  0.10000E+01 volume  0.15709E-01 ppm1      0.460 ppm2      1.736 CV     1
 ASSI {  485}{, calib c3792}
   (  segid "    " and resid 70   and name HD# )
   (( segid "    " and resid 43   and name HA  ))
      5.100     3.200     0.900 peak   485 weight  0.10000E+01 volume  0.18851E-02 ppm1      0.460 ppm2      4.427 CV     1
 ASSI {  486}
   (  segid "    " and resid 70   and name HD# )
   (  segid "    " and resid 111  and name HE% )
      2.200     0.600     0.600 peak   486 weight  0.10000E+01 volume  0.77787E-02 ppm1      0.461 ppm2      6.652 CV     1
 ASSI {  487}
   (  segid "    " and resid 70   and name HD# )
   (  segid "    " and resid 111  and name HD% )
      2.700     0.900     0.900 peak   487 weight  0.10000E+01 volume  0.25488E-02 ppm1      0.460 ppm2      6.831 CV     1
 ASSI {  489}
   (  segid "    " and resid 93   and name HE% )
   (  segid "    " and resid 33   and name HG# )
      1.800     0.400     0.400 peak   489 weight  0.10000E+01 volume  0.31345E-01 ppm1      0.976 ppm2      0.587 CV     1
 ASSI {  491}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 93   and name HB# ))
      2.300     0.700     0.700 peak   491 weight  0.10000E+01 volume  0.66335E-02 ppm1      0.976 ppm2      1.981 CV     1
 ASSI {  498}
   (  segid "    " and resid 93   and name HE% )
   (  segid "    " and resid 62   and name HE% )
      2.600     0.800     0.800 peak   498 weight  0.10000E+01 volume  0.32311E-02 ppm1      0.985 ppm2      6.523 CV     1
 ASSI {  499}
   (  segid "    " and resid 93   and name HE% )
   (  segid "    " and resid 62   and name HD% )
      2.500     0.800     0.800 peak   499 weight  0.10000E+01 volume  0.38791E-02 ppm1      0.979 ppm2      6.905 CV     1
 ASSI {  506}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 43   and name HG1#))
      2.000     0.500     0.500 peak   506 weight  0.10000E+01 volume  0.15151E-01 ppm1      1.137 ppm2      1.456 CV     1
 ASSI {  515}{calib c3740}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.100     1.100 peak   515 weight  0.10000E+01 volume  0.28103E-02 ppm1      1.140 ppm2      4.438 CV     1
 OR {  515}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  516}
   (  segid "    " and resid 43   and name HD# )
   (  segid "    " and resid 111  and name HE% )
      2.100     0.500     0.500 peak   516 weight  0.10000E+01 volume  0.11347E-01 ppm1      1.141 ppm2      6.656 CV     1
 ASSI {  519}
   (  segid "    " and resid 86   and name HG# )
   (  segid "    " and resid 86   and name HD# )
      1.800     0.400     0.400 peak   519 weight  0.10000E+01 volume  0.30728E-01 ppm1      1.159 ppm2      0.811 CV     1
 ASSI {  530}
   (  segid "    " and resid 86   and name HG# )
   (  segid "    " and resid 79   and name HD% )
      2.400     0.700     0.700 peak   530 weight  0.10000E+01 volume  0.47413E-02 ppm1      1.160 ppm2      6.910 CV     1
 ASSI {  542}
   (  segid "    " and resid 109  and name HG# )
   (  segid "    " and resid 80   and name HD% )
      2.400     0.700     0.700 peak   542 weight  0.10000E+01 volume  0.49631E-02 ppm1      0.469 ppm2      6.821 CV     1
 ASSI {  558}
   (  segid "    " and resid 3    and name HE% )
   (  segid "    " and resid 117  and name HE% )
      2.300     0.700     0.700 peak   558 weight  0.10000E+01 volume  0.67071E-02 ppm1      1.642 ppm2      6.585 CV     1
 OR {  558}
   (  segid "    " and resid 3    and name HE% )
   (  segid "    " and resid 117  and name HD% )
 ASSI {  559}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 5    and name HZ  ))
      2.200     0.600     0.600 peak   559 weight  0.10000E+01 volume  0.78878E-02 ppm1      1.644 ppm2      7.231 CV     1
 ASSI {  560}
   (  segid "    " and resid 3    and name HE% )
   (  segid "    " and resid 5    and name HE% )
      2.300     0.700     0.700 peak   560 weight  0.10000E+01 volume  0.63005E-02 ppm1      1.644 ppm2      7.427 CV     1
 ASSI {  568}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak   568 weight  0.10000E+01 volume  0.40822E-02 ppm1      0.647 ppm2      4.939 CV     1
 ASSI {  583}
   (  segid "    " and resid 66   and name HG# )
   (  segid "    " and resid 111  and name HD% )
      2.700     0.900     0.900 peak   583 weight  0.10000E+01 volume  0.25129E-02 ppm1      0.367 ppm2      6.814 CV     1
 ASSI {  584}
   (  segid "    " and resid 66   and name HG# )
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   584 weight  0.10000E+01 volume  0.22556E-02 ppm1      0.371 ppm2      7.823 CV     1
 ASSI {  597}
   (  segid "    " and resid 38   and name HB% )
   (  segid "    " and resid 117  and name HE% )
      2.200     0.600     0.600 peak   597 weight  0.10000E+01 volume  0.92254E-02 ppm1      1.199 ppm2      6.586 CV     1
 OR {  597}
   (  segid "    " and resid 38   and name HB% )
   (  segid "    " and resid 117  and name HD% )
 ASSI {  598}
   (  segid "    " and resid 38   and name HB% )
   (  segid "    " and resid 81   and name HE% )
      2.900     1.000     1.000 peak   598 weight  0.10000E+01 volume  0.17682E-02 ppm1      1.203 ppm2      7.185 CV     1
 ASSI {  600}
   (  segid "    " and resid 70   and name HG# )
   (  segid "    " and resid 70   and name HD# )
      2.000     0.500     0.500 peak   600 weight  0.10000E+01 volume  0.16143E-01 ppm1      0.749 ppm2      0.454 CV     1
 ASSI {  602}
   (  segid "    " and resid 70   and name HG# )
   (  segid "    " and resid 43   and name HD# )
      2.600     0.800     0.800 peak   602 weight  0.10000E+01 volume  0.33641E-02 ppm1      0.736 ppm2      1.119 CV     1
 OR {  602}
   (  segid "    " and resid 70   and name HG# )
   (  segid "    " and resid 43   and name HG# )
 ASSI {  604}
   (  segid "    " and resid 70   and name HG# )
   (( segid "    " and resid 70   and name HB  ))
      1.900     0.400     0.400 peak   604 weight  0.10000E+01 volume  0.20639E-01 ppm1      0.740 ppm2      1.729 CV     1
 ASSI {  609}{recal BP 3925}
   (  segid "    " and resid 70   and name HG# )
   (( segid "    " and resid 46   and name HA  ))
      3.100     1.200     1.200 peak   609 weight  0.10000E+01 volume  0.65334E-02 ppm1      0.745 ppm2      4.417 CV     1
 ASSI {  610}
   (  segid "    " and resid 70   and name HG# )
   (  segid "    " and resid 111  and name HE% )
      2.700     0.900     0.900 peak   610 weight  0.10000E+01 volume  0.25477E-02 ppm1      0.745 ppm2      6.645 CV     1
 ASSI {  611}
   (  segid "    " and resid 70   and name HG# )
   (  segid "    " and resid 111  and name HD% )
      3.700     1.700     1.700 peak   611 weight  0.10000E+01 volume  0.39571E-03 ppm1      0.740 ppm2      6.817 CV     1
 ASSI {  616}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 23   and name HB  ))
      1.900     0.400     0.400 peak   616 weight  0.10000E+01 volume  0.22563E-01 ppm1      0.871 ppm2      1.817 CV     1
 ASSI {  626}
   (  segid "    " and resid 23   and name HG# )
   (  segid "    " and resid 27   and name HE% )
      2.700     0.900     0.900 peak   626 weight  0.10000E+01 volume  0.24250E-02 ppm1      0.869 ppm2      6.733 CV     1
 ASSI {  628}
   (  segid "    " and resid 43   and name HG# )
   (  segid "    " and resid 70   and name HD# )
      2.800     1.000     1.000 peak   628 weight  0.10000E+01 volume  0.20290E-02 ppm1      1.110 ppm2      0.454 CV     1
 ASSI {  630}
   (  segid "    " and resid 43   and name HG# )
   (  segid "    " and resid 72   and name HD# )
      2.000     0.500     0.500 peak   630 weight  0.10000E+01 volume  0.13637E-01 ppm1      1.108 ppm2      0.867 CV     1
 ASSI {  632}
   (  segid "    " and resid 43   and name HG# )
   (  segid "    " and resid 41   and name HB% )
      2.100     0.500     0.500 peak   632 weight  0.10000E+01 volume  0.11802E-01 ppm1      1.109 ppm2      1.611 CV     1
 ASSI {  640}
   (  segid "    " and resid 43   and name HG# )
   (  segid "    " and resid 111  and name HE% )
      2.200     0.600     0.600 peak   640 weight  0.10000E+01 volume  0.83866E-02 ppm1      1.110 ppm2      6.653 CV     1
 ASSI {  641}
   (  segid "    " and resid 43   and name HG# )
   (  segid "    " and resid 111  and name HD% )
      2.500     0.800     0.800 peak   641 weight  0.10000E+01 volume  0.38300E-02 ppm1      1.110 ppm2      6.821 CV     1
 ASSI {  642}
   (  segid "    " and resid 74   and name HB% )
   (( segid "    " and resid 75   and name HG# ))
      2.800     1.000     1.000 peak   642 weight  0.10000E+01 volume  0.19822E-02 ppm1      1.386 ppm2      2.192 CV     1
 ASSI {  652}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 31   and name HB  ))
      1.900     0.400     0.400 peak   652 weight  0.10000E+01 volume  0.21272E-01 ppm1      0.411 ppm2      1.386 CV     1
 ASSI {  653}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 93   and name HB# ))
      2.400     0.700     0.700 peak   653 weight  0.10000E+01 volume  0.49564E-02 ppm1      0.408 ppm2      1.969 CV     1
 ASSI {  660}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   660 weight  0.10000E+01 volume  0.12410E-02 ppm1      0.402 ppm2      4.879 CV     1
 ASSI {  661}
   (  segid "    " and resid 31   and name HG# )
   (  segid "    " and resid 97   and name HD% )
      2.800     1.000     1.000 peak   661 weight  0.10000E+01 volume  0.21624E-02 ppm1      0.409 ppm2      6.952 CV     1
 ASSI {  667}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 88   and name HB# ))
      2.300     0.700     0.700 peak   667 weight  0.10000E+01 volume  0.63067E-02 ppm1      1.506 ppm2      2.045 CV     1
 ASSI {  668}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 88   and name HG# ))
      2.000     0.500     0.500 peak   668 weight  0.10000E+01 volume  0.14393E-01 ppm1      1.506 ppm2      2.171 CV     1
 ASSI {  669}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 95   and name HB# ))
      2.300     0.700     0.700 peak   669 weight  0.10000E+01 volume  0.62509E-02 ppm1      1.506 ppm2      2.409 CV     1
 ASSI {  692}
   (  segid "    " and resid 66   and name HG# )
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.400     1.400 peak   692 weight  0.10000E+01 volume  0.70405E-03 ppm1      0.360 ppm2      3.950 CV     1
 ASSI {  706}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 87   and name HD# ))
      3.100     1.200     1.200 peak   706 weight  0.10000E+01 volume  0.11429E-02 ppm1      0.975 ppm2      4.065 CV     1
 ASSI {  713}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 118  and name HA# ))
      3.000     1.200     1.200 peak   713 weight  0.10000E+01 volume  0.11852E-02 ppm1      0.751 ppm2      3.668 CV     1
 OR { 713}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 117  and name HA ))
 ASSI {  715}
   (  segid "    " and resid 116  and name HG# )
   (  segid "    " and resid 81   and name HE% )
      3.100     1.200     1.200 peak   715 weight  0.10000E+01 volume  0.10481E-02 ppm1      0.752 ppm2      7.195 CV     1
 OR {  715}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 81   and name HZ  ))
 ASSI {  716}
   (  segid "    " and resid 116  and name HG# )
   (  segid "    " and resid 117  and name HD% )
      3.500     1.500     1.500 peak   716 weight  0.10000E+01 volume  0.54485E-03 ppm1      0.757 ppm2      6.588 CV     1
 OR {  716}
   (  segid "    " and resid 116  and name HG# )
   (  segid "    " and resid 117  and name HE% )
 ASSI {  729}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 93   and name HA  ))
      3.700     1.700     1.700 peak   729 weight  0.10000E+01 volume  0.38968E-03 ppm1      0.566 ppm2      4.366 CV     1
 ASSI {  730}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak   730 weight  0.10000E+01 volume  0.24745E-03 ppm1      0.571 ppm2      4.469 CV     1
 ASSI {  731}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak   731 weight  0.10000E+01 volume  0.50054E-02 ppm1      0.564 ppm2      4.834 CV     1
 ASSI {  733}
   (  segid "    " and resid 53   and name HG# )
   (  segid "    " and resid 62   and name HE% )
      2.900     1.000     1.000 peak   733 weight  0.10000E+01 volume  0.16171E-02 ppm1      0.561 ppm2      6.521 CV     1
 ASSI {  739}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 93   and name HN  ))
      3.800     1.800     1.800 peak   739 weight  0.10000E+01 volume  0.30766E-03 ppm1      0.570 ppm2      9.365 CV     1
 ASSI {  748}
   (  segid "    " and resid 77   and name HB% )
   (  segid "    " and resid 79   and name HD% )
      2.700     0.900     0.900 peak   748 weight  0.10000E+01 volume  0.26263E-02 ppm1      1.427 ppm2      6.898 CV     1
 ASSI {  749}
   (  segid "    " and resid 77   and name HB% )
   (  segid "    " and resid 79   and name HE% )
      2.100     0.500     0.500 peak   749 weight  0.10000E+01 volume  0.12490E-01 ppm1      1.431 ppm2      7.212 CV     1
 ASSI {  758}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 37   and name HE# ))
      2.400     0.700     0.700 peak   758 weight  0.10000E+01 volume  0.44946E-02 ppm1      1.610 ppm2      3.010 CV     1
 ASSI {  762}
   (  segid "    " and resid 41   and name HB% )
   (  segid "    " and resid 43   and name HD# )
      2.000     0.500     0.500 peak   762 weight  0.10000E+01 volume  0.15699E-01 ppm1      1.605 ppm2      1.119 CV     1
 ASSI {  769}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 87   and name HB# ))
      4.800     2.900     1.200 peak   769 weight  0.10000E+01 volume  0.77243E-04 ppm1      0.642 ppm2      2.009 CV     1
 ASSI {  782}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 83   and name HD21))
      3.600     1.600     1.600 peak   782 weight  0.10000E+01 volume  0.46637E-03 ppm1      0.639 ppm2      9.030 CV     1
 ASSI {  787}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 83   and name HB# ))
      2.900     1.100     1.100 peak   787 weight  0.10000E+01 volume  0.15734E-02 ppm1      0.971 ppm2      3.018 CV     1
 ASSI {  808}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 109  and name HA  ))
      2.500     0.800     0.800 peak   808 weight  0.10000E+01 volume  0.40043E-02 ppm1      0.827 ppm2      4.843 CV     1
 ASSI {  817}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 31   and name HB  ))
      2.100     0.500     0.500 peak   817 weight  0.10000E+01 volume  0.12769E-01 ppm1      0.381 ppm2      1.389 CV     1
 ASSI {  827}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 30   and name HA  ))
      4.400     2.400     1.600 peak   827 weight  0.10000E+01 volume  0.13232E-03 ppm1      0.385 ppm2      4.888 CV     1
 ASSI {  835}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 93   and name HG# ))
      2.300     0.600     0.600 peak   835 weight  0.10000E+01 volume  0.68057E-02 ppm1      0.863 ppm2      2.164 CV     1
 ASSI {  836}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 59   and name HB  ))
      2.100     0.500     0.500 peak   836 weight  0.10000E+01 volume  0.11568E-01 ppm1      0.867 ppm2      2.401 CV     1
 ASSI {  839}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 54   and name HD# ))
      2.800     0.900     0.900 peak   839 weight  0.10000E+01 volume  0.22022E-02 ppm1      0.863 ppm2      3.561 CV     1
 ASSI {  842}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 54   and name HD# ))
      2.400     0.700     0.700 peak   842 weight  0.10000E+01 volume  0.47826E-02 ppm1      0.859 ppm2      3.984 CV     1
 ASSI {  843}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 62   and name HB# ))
      3.100     1.200     1.200 peak   843 weight  0.10000E+01 volume  0.10783E-02 ppm1      0.863 ppm2      3.131 CV     1
 ASSI {  851}
   (  segid "    " and resid 53   and name HG# )
   (  segid "    " and resid 62   and name HE% )
      2.400     0.700     0.700 peak   851 weight  0.10000E+01 volume  0.46306E-02 ppm1      0.863 ppm2      6.517 CV     1
 ASSI {  852}
   (  segid "    " and resid 59   and name HG# )
   (  segid "    " and resid 80   and name HE% )
      2.500     0.800     0.800 peak   852 weight  0.10000E+01 volume  0.41075E-02 ppm1      0.863 ppm2      6.652 CV     1
 ASSI {  858}
   (  segid "    " and resid 53   and name HG# )
   (  segid "    " and resid 51   and name HD% )
      2.600     0.800     0.800 peak   858 weight  0.10000E+01 volume  0.33243E-02 ppm1      0.859 ppm2      7.058 CV     1
 ASSI {  862}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 35   and name HG# )
      1.800     0.400     0.400 peak   862 weight  0.10000E+01 volume  0.24332E-01 ppm1      0.639 ppm2      0.800 CV     1
 ASSI {  865}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 31   and name HG# )
      2.000     0.500     0.500 peak   865 weight  0.10000E+01 volume  0.16058E-01 ppm1      0.584 ppm2      0.390 CV     1
 ASSI {  868}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 109  and name HG1#))
      2.300     0.600     0.600 peak   868 weight  0.10000E+01 volume  0.69573E-02 ppm1      0.639 ppm2      1.350 CV     1
 ASSI {  874}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 108  and name HA  ))
      3.200     1.300     1.300 peak   874 weight  0.10000E+01 volume  0.80942E-03 ppm1      0.639 ppm2      4.693 CV     1
 ASSI {  875}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 109  and name HA  ))
      3.200     1.300     1.300 peak   875 weight  0.10000E+01 volume  0.81448E-03 ppm1      0.638 ppm2      4.866 CV     1
 ASSI {  876}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 33   and name HA  ))
      2.000     0.500     0.500 peak   876 weight  0.10000E+01 volume  0.12887E-01 ppm1      0.639 ppm2      5.109 CV     1
 ASSI {  891}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 62   and name HE% )
      3.400     1.500     1.500 peak   891 weight  0.10000E+01 volume  0.57977E-03 ppm1      0.581 ppm2      6.507 CV     1
 ASSI {  893}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 33   and name HA  ))
      2.100     0.600     0.600 peak   893 weight  0.10000E+01 volume  0.10406E-01 ppm1      0.588 ppm2      5.111 CV     1
 ASSI {  894}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   894 weight  0.10000E+01 volume  0.12759E-02 ppm1      0.583 ppm2      4.855 CV     1
 ASSI {  898}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 107  and name HB# ))
      2.600     0.800     0.800 peak   898 weight  0.10000E+01 volume  0.33855E-02 ppm1      0.583 ppm2      2.030 CV     1
 ASSI {  901}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 107  and name HB# ))
      2.400     0.700     0.700 peak   901 weight  0.10000E+01 volume  0.55426E-02 ppm1      0.581 ppm2      1.388 CV     1
 ASSI {  905}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 109  and name HB  ))
      2.300     0.700     0.700 peak   905 weight  0.10000E+01 volume  0.63397E-02 ppm1      0.829 ppm2      1.523 CV     1
 ASSI {  914}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 51   and name HE% )
      2.300     0.600     0.600 peak   914 weight  0.10000E+01 volume  0.72582E-02 ppm1      0.820 ppm2      6.613 CV     1
 ASSI {  919}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 109  and name HN  ))
      3.400     1.400     1.400 peak   919 weight  0.10000E+01 volume  0.61330E-03 ppm1      0.823 ppm2      9.372 CV     1
 ASSI {  921}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 6    and name HA  ))
      1.900     0.500     0.500 peak   921 weight  0.10000E+01 volume  0.18299E-01 ppm1      1.126 ppm2      3.714 CV     1
 ASSI {  928}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 63   and name HB# ))
      3.900     1.900     1.900 peak   928 weight  0.10000E+01 volume  0.25514E-03 ppm1      1.375 ppm2      3.117 CV     1
 ASSI {  932}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 90   and name HA  ))
      3.800     1.800     1.800 peak   932 weight  0.10000E+01 volume  0.30655E-03 ppm1      1.375 ppm2      4.426 CV     1
 ASSI {  939}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 66   and name HG1#))
      2.300     0.600     0.600 peak   939 weight  0.10000E+01 volume  0.72089E-02 ppm1      0.902 ppm2      0.434 CV     1
 ASSI {  949}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 110  and name HA  ))
      2.700     0.900     0.900 peak   949 weight  0.10000E+01 volume  0.24157E-02 ppm1      0.902 ppm2      6.512 CV     1
 ASSI {  951}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 111  and name HD% )
      2.000     0.500     0.500 peak   951 weight  0.10000E+01 volume  0.13339E-01 ppm1      0.893 ppm2      6.820 CV     1
 ASSI {  962}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 36   and name HB# ))
      2.800     1.000     1.000 peak   962 weight  0.10000E+01 volume  0.20617E-02 ppm1      1.560 ppm2      1.887 CV     1
 ASSI {  968}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      4.700     2.700     1.300 peak   968 weight  0.10000E+01 volume  0.92068E-04 ppm1      1.566 ppm2      5.070 CV     1
 ASSI {  970}
   (  segid "    " and resid 110  and name HB% )
   (  segid "    " and resid 81   and name HD% )
      2.500     0.800     0.800 peak   970 weight  0.10000E+01 volume  0.39779E-02 ppm1      1.565 ppm2      6.893 CV     1
 ASSI {  979}
   (( segid "    " and resid 37   and name HG# ))
   (( segid "    " and resid 37   and name HE# ))
      2.500     0.800     0.800 peak   979 weight  0.10000E+01 volume  0.43932E-02 ppm1      1.664 ppm2      3.023 CV     1
 ASSI {  980}
   (( segid "    " and resid 37   and name HG# ))
   (( segid "    " and resid 37   and name HB# ))
      2.000     0.500     0.500 peak   980 weight  0.10000E+01 volume  0.13659E-01 ppm1      0.863 ppm2      1.549 CV     1
 ASSI {  983}
   (( segid "    " and resid 37   and name HG# ))
   (  segid "    " and resid 111  and name HE% )
      2.800     1.000     1.000 peak   983 weight  0.10000E+01 volume  0.19560E-02 ppm1      0.867 ppm2      6.658 CV     1
 ASSI {  996}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HG  ))
      1.800     0.400     0.400 peak   996 weight  0.10000E+01 volume  0.30440E-01 ppm1      0.898 ppm2      1.690 CV     1
 OR {  996}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HB# ))
 ASSI {  998}
   (  segid "    " and resid 96   and name HD# )
   (  segid "    " and resid 82   and name HG# )
      2.200     0.600     0.600 peak   998 weight  0.10000E+01 volume  0.74808E-02 ppm1      0.902 ppm2      0.639 CV     1
 ASSI { 1001}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 96   and name HB# ))
      1.900     0.500     0.500 peak  1001 weight  0.10000E+01 volume  0.18065E-01 ppm1      0.898 ppm2      1.818 CV     1
 OR { 1001}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 96   and name HG  ))
 ASSI { 1012}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 52   and name HB# ))
      2.200     0.600     0.600 peak  1012 weight  0.10000E+01 volume  0.81233E-02 ppm1      0.495 ppm2      1.317 CV     1
 ASSI { 1015}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 32   and name HB# ))
      3.000     1.100     1.100 peak  1015 weight  0.10000E+01 volume  0.14015E-02 ppm1      0.497 ppm2      1.831 CV     1
 ASSI { 1016}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 30   and name HD# ))
      3.000     1.200     1.200 peak  1016 weight  0.10000E+01 volume  0.11908E-02 ppm1      0.493 ppm2      2.670 CV     1
 ASSI { 1020}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.600     0.600 peak  1020 weight  0.10000E+01 volume  0.10829E-01 ppm1      0.493 ppm2      4.872 CV     1
 ASSI { 1021}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak  1021 weight  0.10000E+01 volume  0.55943E-02 ppm1      0.497 ppm2      5.116 CV     1
 ASSI { 1028}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 119  and name HG  ))
      2.000     0.500     0.500 peak  1028 weight  0.10000E+01 volume  0.14861E-01 ppm1      0.790 ppm2      1.452 CV     1
 OR { 1028}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 119  and name HB# ))
 ASSI { 1033}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 2    and name HB# ))
      3.800     1.800     1.800 peak  1033 weight  0.10000E+01 volume  0.33821E-03 ppm1      0.786 ppm2      3.841 CV     1
 ASSI { 1035}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 2    and name HA  ))
      3.500     1.600     1.600 peak  1035 weight  0.10000E+01 volume  0.49511E-03 ppm1      0.783 ppm2      4.484 CV     1
 ASSI { 1036}
   (  segid "    " and resid 119  and name HD# )
   (  segid "    " and resid 117  and name HD% )
      2.800     0.900     0.900 peak  1036 weight  0.10000E+01 volume  0.21841E-02 ppm1      0.786 ppm2      6.596 CV     1
 OR { 1036}
   (  segid "    " and resid 119  and name HD# )
   (  segid "    " and resid 117  and name HE% )
 ASSI { 1040}
   (( segid "    " and resid 48   and name HG# ))
   (( segid "    " and resid 48   and name HB# ))
      2.300     0.700     0.700 peak  1040 weight  0.10000E+01 volume  0.57947E-02 ppm1      0.687 ppm2      1.639 CV     1
 ASSI { 1044}
   (( segid "    " and resid 48   and name HG# ))
   (  segid "    " and resid 51   and name HE% )
      2.900     1.100     1.100 peak  1044 weight  0.10000E+01 volume  0.15787E-02 ppm1      0.678 ppm2      6.620 CV     1
 ASSI { 1048}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HG  ))
      2.000     0.500     0.500 peak  1048 weight  0.10000E+01 volume  0.13671E-01 ppm1      0.850 ppm2      1.786 CV     1
 OR { 1048}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HB# ))
 ASSI { 1049}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 69   and name HD# ))
      2.700     0.900     0.900 peak  1049 weight  0.10000E+01 volume  0.23245E-02 ppm1      0.846 ppm2      3.292 CV     1
 ASSI { 1052}
   (  segid "    " and resid 65   and name HD# )
   (  segid "    " and resid 62   and name HE% )
      2.700     0.900     0.900 peak  1052 weight  0.10000E+01 volume  0.23760E-02 ppm1      0.846 ppm2      6.493 CV     1
 ASSI { 1053}
   (  segid "    " and resid 65   and name HD# )
   (  segid "    " and resid 51   and name HE% )
      2.500     0.800     0.800 peak  1053 weight  0.10000E+01 volume  0.38017E-02 ppm1      0.842 ppm2      6.608 CV     1
 ASSI { 1054}
   (  segid "    " and resid 65   and name HD# )
   (  segid "    " and resid 62   and name HD% )
      2.900     1.100     1.100 peak  1054 weight  0.10000E+01 volume  0.14644E-02 ppm1      0.842 ppm2      6.871 CV     1
 ASSI { 1061}
   (( segid "    " and resid 50   and name HG# ))
   (( segid "    " and resid 50   and name HD# ))
      2.200     0.600     0.600 peak  1061 weight  0.10000E+01 volume  0.86667E-02 ppm1      1.018 ppm2      1.631 CV     1
 OR { 1061}
   (( segid "    " and resid 50   and name HG# ))
   (( segid "    " and resid 50   and name HB# ))
 ASSI { 1064}
   (( segid "    " and resid 50   and name HG# ))
   (( segid "    " and resid 106  and name HZ  ))
      3.400     1.400     1.400 peak  1064 weight  0.10000E+01 volume  0.65951E-03 ppm1      1.027 ppm2      6.932 CV     1
 ASSI { 1065}
   (( segid "    " and resid 50   and name HG# ))
   (  segid "    " and resid 106  and name HE% )
      3.300     1.400     1.400 peak  1065 weight  0.10000E+01 volume  0.70204E-03 ppm1      1.022 ppm2      7.195 CV     1
 ASSI { 1067}
   (( segid "    " and resid 48   and name HG# ))
   (( segid "    " and resid 48   and name HD# ))
      2.300     0.700     0.700 peak  1067 weight  0.10000E+01 volume  0.57534E-02 ppm1      1.147 ppm2      1.503 CV     1
 ASSI { 1068}
   (( segid "    " and resid 48   and name HG# ))
   (( segid "    " and resid 48   and name HB# ))
      2.100     0.600     0.600 peak  1068 weight  0.10000E+01 volume  0.98994E-02 ppm1      1.151 ppm2      1.644 CV     1
 ASSI { 1071} {symcalib cd295}
   (( segid "    " and resid 48   and name HG# ))
   (( segid "    " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak  1071 weight  0.10000E+01 volume  0.48690E-02 ppm1      1.147 ppm2      4.494 CV     1
 ASSI { 1072}
   (( segid "    " and resid 48   and name HG# ))
   (  segid "    " and resid 51   and name HE% )
      3.100     1.200     1.200 peak  1072 weight  0.10000E+01 volume  0.10759E-02 ppm1      1.143 ppm2      6.628 CV     1
 ASSI { 1078}
   (( segid "    " and resid 50   and name HG# ))
   (  segid "    " and resid 106  and name HE% )
      3.000     1.100     1.100 peak  1078 weight  0.10000E+01 volume  0.12311E-02 ppm1      1.207 ppm2      7.209 CV     1
 ASSI { 1081}
   (( segid "    " and resid 4    and name HG# ))
   (( segid "    " and resid 4    and name HE# ))
      2.800     1.000     1.000 peak  1081 weight  0.10000E+01 volume  0.20039E-02 ppm1      1.229 ppm2      2.919 CV     1
 ASSI { 1084}
   (( segid "    " and resid 4    and name HG# ))
   (( segid "    " and resid 4    and name HD# ))
      1.800     0.400     0.400 peak  1084 weight  0.10000E+01 volume  0.31603E-01 ppm1      1.410 ppm2      1.624 CV     1
 ASSI { 1085}
   (( segid "    " and resid 4    and name HG# ))
   (( segid "    " and resid 4    and name HE# ))
      2.700     0.900     0.900 peak  1085 weight  0.10000E+01 volume  0.22442E-02 ppm1      1.410 ppm2      2.925 CV     1
 ASSI { 1087}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 68   and name HD# ))
      2.000     0.500     0.500 peak  1087 weight  0.10000E+01 volume  0.15940E-01 ppm1      1.302 ppm2      1.586 CV     1
 ASSI { 1088}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 68   and name HB# ))
      2.100     0.500     0.500 peak  1088 weight  0.10000E+01 volume  0.11515E-01 ppm1      1.302 ppm2      1.746 CV     1
 ASSI { 1089}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 68   and name HB# ))
      2.100     0.500     0.500 peak  1089 weight  0.10000E+01 volume  0.11787E-01 ppm1      1.375 ppm2      1.753 CV     1
 ASSI { 1090}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 68   and name HD# ))
      1.900     0.500     0.500 peak  1090 weight  0.10000E+01 volume  0.18158E-01 ppm1      1.375 ppm2      1.580 CV     1
 ASSI { 1098}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HG  ))
      1.700     0.400     0.500 peak  1098 weight  0.10000E+01 volume  0.41618E-01 ppm1      0.820 ppm2      1.120 CV     1
 OR { 1098}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HB# ))
 ASSI { 1100}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 66   and name HB  ))
      2.800     1.000     1.000 peak  1100 weight  0.10000E+01 volume  0.18171E-02 ppm1      0.824 ppm2      1.748 CV     1
 ASSI { 1102}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 111  and name HB# ))
      2.300     0.700     0.700 peak  1102 weight  0.10000E+01 volume  0.58579E-02 ppm1      0.816 ppm2      3.272 CV     1
 ASSI { 1107}
   (  segid "    " and resid 78   and name HD# )
   (  segid "    " and resid 63   and name HE% )
      3.200     1.300     1.300 peak  1107 weight  0.10000E+01 volume  0.84947E-03 ppm1      0.824 ppm2      6.126 CV     1
 ASSI { 1108}
   (  segid "    " and resid 78   and name HD# )
   (  segid "    " and resid 63   and name HD% )
      3.100     1.200     1.200 peak  1108 weight  0.10000E+01 volume  0.10582E-02 ppm1      0.820 ppm2      6.306 CV     1
 ASSI { 1115}
   (  segid "    " and resid 107  and name HD# )
   (  segid "    " and resid 109  and name HD# )
      2.900     1.100     1.100 peak  1115 weight  0.10000E+01 volume  0.14673E-02 ppm1      0.880 ppm2      0.319 CV     1
 ASSI { 1117}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 109  and name HG1#))
      2.000     0.500     0.500 peak  1117 weight  0.10000E+01 volume  0.13535E-01 ppm1      0.876 ppm2      1.350 CV     1
 ASSI { 1118}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 96   and name HB# ))
      3.600     1.700     1.700 peak  1118 weight  0.10000E+01 volume  0.41462E-03 ppm1      0.876 ppm2      1.620 CV     1
 ASSI { 1119}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 96   and name HB# ))
      3.000     1.200     1.200 peak  1119 weight  0.10000E+01 volume  0.12052E-02 ppm1      0.867 ppm2      1.837 CV     1
 ASSI { 1120}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 107  and name HB# ))
      2.500     0.800     0.800 peak  1120 weight  0.10000E+01 volume  0.34938E-02 ppm1      0.867 ppm2      2.068 CV     1
 ASSI { 1122}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 100  and name HB# ))
      2.300     0.600     0.600 peak  1122 weight  0.10000E+01 volume  0.69306E-02 ppm1      0.880 ppm2      2.792 CV     1
 ASSI { 1123}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 100  and name HB# ))
      2.300     0.700     0.700 peak  1123 weight  0.10000E+01 volume  0.66606E-02 ppm1      0.880 ppm2      3.067 CV     1
 ASSI { 1126}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 107  and name HA  ))
      2.100     0.600     0.600 peak  1126 weight  0.10000E+01 volume  0.10204E-01 ppm1      0.876 ppm2      4.685 CV     1
 ASSI { 1131}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  1131 weight  0.10000E+01 volume  0.11064E-02 ppm1      0.876 ppm2      9.004 CV     1
 ASSI { 1135}
   (( segid "    " and resid 26   and name HG# ))
   (( segid "    " and resid 26   and name HB# ))
      2.100     0.600     0.600 peak  1135 weight  0.10000E+01 volume  0.10205E-01 ppm1      0.915 ppm2      1.464 CV     1
 ASSI { 1138}
   (( segid "    " and resid 26   and name HG# ))
   (  segid "    " and resid 27   and name HE% )
      2.900     1.100     1.100 peak  1138 weight  0.10000E+01 volume  0.14663E-02 ppm1      0.919 ppm2      6.748 CV     1
 ASSI { 1141}
   (( segid "    " and resid 26   and name HG# ))
   (( segid "    " and resid 26   and name HD# ))
      2.200     0.600     0.600 peak  1141 weight  0.10000E+01 volume  0.92131E-02 ppm1      0.519 ppm2      1.427 CV     1
 ASSI { 1145}
   (( segid "    " and resid 26   and name HG# ))
   (  segid "    " and resid 27   and name HE% )
      2.800     1.000     1.000 peak  1145 weight  0.10000E+01 volume  0.19515E-02 ppm1      0.519 ppm2      6.732 CV     1
 ASSI { 1146}
   (( segid "    " and resid 26   and name HG# ))
   (  segid "    " and resid 27   and name HD% )
      2.900     1.100     1.100 peak  1146 weight  0.10000E+01 volume  0.15771E-02 ppm1      0.519 ppm2      7.161 CV     1
 ASSI { 1147}
   (  segid "    " and resid 52   and name HD# )
   (  segid "    " and resid 27   and name HD% )
      2.400     0.700     0.700 peak  1147 weight  0.10000E+01 volume  0.44596E-02 ppm1      0.441 ppm2      7.166 CV     1
 ASSI { 1152}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 30   and name HD# ))
      2.800     0.900     0.900 peak  1152 weight  0.10000E+01 volume  0.21774E-02 ppm1      0.437 ppm2      2.657 CV     1
 ASSI { 1154}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 23   and name HG1#))
      2.900     1.100     1.100 peak  1154 weight  0.10000E+01 volume  0.14545E-02 ppm1      0.443 ppm2      1.824 CV     1
 OR { 1154}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 23   and name HB  ))
 ASSI { 1156}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 30   and name HB# ))
      2.400     0.700     0.700 peak  1156 weight  0.10000E+01 volume  0.55221E-02 ppm1      0.441 ppm2      1.408 CV     1
 OR { 1156}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 30   and name HG# ))
 ASSI { 1159}
   (  segid "    " and resid 52   and name HD# )
   (  segid "    " and resid 23   and name HG# )
      2.100     0.500     0.500 peak  1159 weight  0.10000E+01 volume  0.11391E-01 ppm1      0.442 ppm2      0.864 CV     1
 ASSI { 1161}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 96   and name HG  ))
      3.000     3.000     3.000 peak  1161 weight  0.10000E+01 volume  0.87984E-02 ppm1      0.966 ppm2      1.812 CV     1
 ASSI { 1163}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 87   and name HB# ))
      2.400     0.700     0.700 peak  1163 weight  0.10000E+01 volume  0.46040E-02 ppm1      0.962 ppm2      2.145 CV     1
 OR { 1163}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 87   and name HG# ))
 ASSI { 1171}
   (  segid "    " and resid 59   and name HG# )
   (  segid "    " and resid 80   and name HD% )
      2.900     1.100     1.100 peak  1171 weight  0.10000E+01 volume  0.16050E-02 ppm1      0.958 ppm2      6.831 CV     1
 ASSI { 1173}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 119  and name HG  ))
      2.000     0.500     0.500 peak  1173 weight  0.10000E+01 volume  0.15579E-01 ppm1      0.816 ppm2      1.458 CV     1
 ASSI { 1179}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 61   and name HB# ))
      2.200     0.600     0.600 peak  1179 weight  0.10000E+01 volume  0.77969E-02 ppm1      1.001 ppm2      2.515 CV     1
 ASSI { 1184}
   (  segid "    " and resid 46   and name HD# )
   (  segid "    " and resid 111  and name HD% )
      2.800     1.000     1.000 peak  1184 weight  0.10000E+01 volume  0.19210E-02 ppm1      0.979 ppm2      6.820 CV     1
 ASSI { 1188}
   (  segid "    " and resid 46   and name HD# )
   (  segid "    " and resid 51   and name HD% )
      3.800     1.800     1.800 peak  1188 weight  0.10000E+01 volume  0.30412E-03 ppm1      0.975 ppm2      7.070 CV     1
 ASSI { 1191}
   (  segid "    " and resid 46   and name HD# )
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak  1191 weight  0.10000E+01 volume  0.43383E-02 ppm1      0.975 ppm2      4.421 CV     1
 ASSI { 1209}
   (  segid "    " and resid 65   and name HD# )
   (  segid "    " and resid 51   and name HD% )
      3.200     1.300     1.300 peak  1209 weight  0.10000E+01 volume  0.91534E-03 ppm1      1.018 ppm2      7.030 CV     1
 ASSI { 1210}
   (  segid "    " and resid 65   and name HD# )
   (  segid "    " and resid 62   and name HD% )
      2.400     0.700     0.700 peak  1210 weight  0.10000E+01 volume  0.48954E-02 ppm1      1.018 ppm2      6.902 CV     1
 ASSI { 1212}
   (  segid "    " and resid 65   and name HD# )
   (  segid "    " and resid 62   and name HE% )
      2.700     0.900     0.900 peak  1212 weight  0.10000E+01 volume  0.23793E-02 ppm1      1.010 ppm2      6.517 CV     1
 ASSI { 1217}
   (  segid "    " and resid 65   and name HD# )
   (  segid "    " and resid 66   and name HD# )
      3.300     1.300     1.300 peak  1217 weight  0.10000E+01 volume  0.79189E-03 ppm1      1.011 ppm2     -0.124 CV     1
 ASSI { 1218}
   (( segid "    " and resid 25   and name HG# ))
   (( segid "    " and resid 25   and name HE# ))
      2.500     0.800     0.800 peak  1218 weight  0.10000E+01 volume  0.37403E-02 ppm1      1.447 ppm2      2.873 CV     1
 ASSI { 1221}
   (( segid "    " and resid 25   and name HG# ))
   (( segid "    " and resid 25   and name HB# ))
      2.000     0.500     0.500 peak  1221 weight  0.10000E+01 volume  0.13865E-01 ppm1      1.448 ppm2      1.753 CV     1
 ASSI { 1223}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 15   and name HB# ))
      2.200     0.600     0.600 peak  1223 weight  0.10000E+01 volume  0.92978E-02 ppm1      1.504 ppm2      2.017 CV     1
 ASSI { 1224}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 12   and name HB# ))
      2.600     0.900     0.900 peak  1224 weight  0.10000E+01 volume  0.29998E-02 ppm1      1.504 ppm2      2.113 CV     1
 ASSI { 1225}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 15   and name HE# ))
      2.600     0.900     0.900 peak  1225 weight  0.10000E+01 volume  0.30014E-02 ppm1      1.500 ppm2      3.035 CV     1
 ASSI { 1228}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 15   and name HE# ))
      2.700     0.900     0.900 peak  1228 weight  0.10000E+01 volume  0.26751E-02 ppm1      1.586 ppm2      3.029 CV     1
 ASSI { 1230}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 49   and name HB# ))
      2.400     0.700     0.700 peak  1230 weight  0.10000E+01 volume  0.49383E-02 ppm1      1.595 ppm2      2.145 CV     1
 ASSI { 1231}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 15   and name HD# ))
      1.800     0.400     0.400 peak  1231 weight  0.10000E+01 volume  0.31832E-01 ppm1      1.586 ppm2      1.760 CV     1
 ASSI { 1232}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.000     1.000 peak  1232 weight  0.10000E+01 volume  0.17629E-02 ppm1      1.595 ppm2      5.034 CV     1
 ASSI { 1235}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 49   and name HE# ))
      2.800     1.000     1.000 peak  1235 weight  0.10000E+01 volume  0.19355E-02 ppm1      1.603 ppm2      3.228 CV     1
 ASSI { 1238}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 49   and name HD# ))
      2.200     0.600     0.600 peak  1238 weight  0.10000E+01 volume  0.74754E-02 ppm1      1.745 ppm2      1.990 CV     1
 ASSI { 1242}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HE# ))
      2.700     0.900     0.900 peak  1242 weight  0.10000E+01 volume  0.26954E-02 ppm1      1.651 ppm2      2.931 CV     1
 ASSI { 1258}
   (( segid "    " and resid 34   and name HG1#))
   (  segid "    " and resid 106  and name HD% )
      3.000     1.100     1.100 peak  1258 weight  0.10000E+01 volume  0.12770E-02 ppm1      0.110 ppm2      6.868 CV     1
 ASSI { 1261}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HB# ))
      2.200     0.600     0.600 peak  1261 weight  0.10000E+01 volume  0.85989E-02 ppm1      1.358 ppm2      1.932 CV     1
 ASSI { 1262}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HE# ))
      2.500     0.800     0.800 peak  1262 weight  0.10000E+01 volume  0.35193E-02 ppm1      1.362 ppm2      2.931 CV     1
 ASSI { 1267}
   (( segid "    " and resid 24   and name HG# ))
   (( segid "    " and resid 105  and name HB# ))
      3.100     1.200     1.200 peak  1267 weight  0.10000E+01 volume  0.10574E-02 ppm1      1.620 ppm2      3.447 CV     1
 ASSI { 1268}
   (( segid "    " and resid 24   and name HG# ))
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak  1268 weight  0.10000E+01 volume  0.46760E-02 ppm1      1.620 ppm2      4.023 CV     1
 ASSI { 1269}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 23   and name HD# )
      2.600     0.800     0.800 peak  1269 weight  0.10000E+01 volume  0.33989E-02 ppm1      1.427 ppm2      0.862 CV     1
 OR { 1269}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 23   and name HG# )
 ASSI { 1274}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.300     1.300 peak  1274 weight  0.10000E+01 volume  0.78497E-03 ppm1      1.431 ppm2      4.142 CV     1
 ASSI { 1281}
   (( segid "    " and resid 66   and name HG1#))
   (( segid "    " and resid 66   and name HB  ))
      2.400     0.700     0.700 peak  1281 weight  0.10000E+01 volume  0.46868E-02 ppm1      0.695 ppm2      1.793 CV     1
 ASSI { 1285}
   (( segid "    " and resid 66   and name HG1#))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.400     1.400 peak  1285 weight  0.10000E+01 volume  0.69914E-03 ppm1      0.695 ppm2      3.932 CV     1
 ASSI { 1291}
   (( segid "    " and resid 66   and name HG1#))
   (  segid "    " and resid 62   and name HD% )
      3.300     1.300     1.300 peak  1291 weight  0.10000E+01 volume  0.78482E-03 ppm1      0.704 ppm2      6.916 CV     1
 ASSI { 1296}
   (  segid "    " and resid 72   and name HD# )
   (  segid "    " and resid 70   and name HD# )
      2.000     0.500     0.500 peak  1296 weight  0.10000E+01 volume  0.14545E-01 ppm1      0.846 ppm2      0.442 CV     1
 ASSI { 1298}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HB# ))
      2.100     0.500     0.500 peak  1298 weight  0.10000E+01 volume  0.11416E-01 ppm1      0.846 ppm2      1.365 CV     1
 ASSI { 1300}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 76   and name HB# ))
      2.400     0.700     0.700 peak  1300 weight  0.10000E+01 volume  0.53381E-02 ppm1      0.846 ppm2      2.800 CV     1
 ASSI { 1304}
   (  segid "    " and resid 72   and name HD# )
   (  segid "    " and resid 111  and name HE% )
      3.200     1.300     1.300 peak  1304 weight  0.10000E+01 volume  0.81170E-03 ppm1      0.846 ppm2      6.653 CV     1
 ASSI { 1306}
   (( segid "    " and resid 107  and name HG  ))
   (  segid "    " and resid 31   and name HG# )
      3.200     1.300     1.300 peak  1306 weight  0.10000E+01 volume  0.63535E-02 ppm1      0.751 ppm2      0.388 CV     1
 ASSI { 1307}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 107  and name HB# ))
      2.100     0.500     0.500 peak  1307 weight  0.10000E+01 volume  0.11681E-01 ppm1      0.759 ppm2      1.388 CV     1
 ASSI { 1316}
   (( segid "    " and resid 107  and name HG  ))
   (  segid "    " and resid 97   and name HD% )
      2.600     0.800     0.800 peak  1316 weight  0.10000E+01 volume  0.33931E-02 ppm1      0.756 ppm2      6.961 CV     1
 ASSI { 1319}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 93   and name HB# ))
      3.400     1.500     1.500 peak  1319 weight  0.10000E+01 volume  0.58726E-03 ppm1      0.898 ppm2      1.363 CV     1
 ASSI { 1333}
   (  segid "    " and resid 57   and name HD# )
   (  segid "    " and resid 62   and name HE% )
      3.300     1.300     1.300 peak  1333 weight  0.10000E+01 volume  0.78317E-03 ppm1      0.906 ppm2      6.499 CV     1
 ASSI { 1342}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 87   and name HD# ))
      2.500     0.800     0.800 peak  1342 weight  0.10000E+01 volume  0.41254E-02 ppm1      1.750 ppm2      3.944 CV     1
 ASSI { 1343}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 87   and name HD# ))
      2.300     0.700     0.700 peak  1343 weight  0.10000E+01 volume  0.60096E-02 ppm1      1.750 ppm2      4.104 CV     1
 ASSI { 1344}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 87   and name HA  ))
      3.200     1.300     1.300 peak  1344 weight  0.10000E+01 volume  0.83575E-03 ppm1      1.750 ppm2      4.848 CV     1
 ASSI { 1347}
   (( segid "    " and resid 87   and name HG# ))
   (  segid "    " and resid 80   and name HD% )
      3.200     1.300     1.300 peak  1347 weight  0.10000E+01 volume  0.81253E-03 ppm1      1.754 ppm2      6.786 CV     1
 ASSI { 1349}
   (( segid "    " and resid 43   and name HG1#))
   (  segid "    " and resid 43   and name HD# )
      2.100     0.600     0.600 peak  1349 weight  0.10000E+01 volume  0.10684E-01 ppm1      1.763 ppm2      1.125 CV     1
 ASSI { 1351}
   (( segid "    " and resid 73   and name HG# ))
   (( segid "    " and resid 73   and name HB# ))
      1.900     0.400     0.400 peak  1351 weight  0.10000E+01 volume  0.22909E-01 ppm1      1.767 ppm2      2.105 CV     1
 ASSI { 1355}
   (( segid "    " and resid 43   and name HG1#))
   (  segid "    " and resid 111  and name HE% )
      2.800     1.000     1.000 peak  1355 weight  0.10000E+01 volume  0.19055E-02 ppm1      1.776 ppm2      6.652 CV     1
 ASSI { 1357}
   (( segid "    " and resid 17   and name HG# ))
   (  segid "    " and resid 105  and name HE% )
      2.700     0.900     0.900 peak  1357 weight  0.10000E+01 volume  0.22549E-02 ppm1      1.741 ppm2      7.320 CV     1
 ASSI { 1359}
   (( segid "    " and resid 17   and name HG# ))
   (  segid "    " and resid 105  and name HD% )
      2.900     1.000     1.000 peak  1359 weight  0.10000E+01 volume  0.16388E-02 ppm1      1.823 ppm2      7.095 CV     1
 ASSI { 1384}
   (( segid "    " and resid 101  and name HB# ))
   (  segid "    " and resid 97   and name HD% )
      2.700     0.900     0.900 peak  1384 weight  0.10000E+01 volume  0.24892E-02 ppm1      2.262 ppm2      6.953 CV     1
 ASSI { 1389}
   (( segid "    " and resid 87   and name HG# ))
   (  segid "    " and resid 59   and name HG# )
      2.200     0.600     0.600 peak  1389 weight  0.10000E+01 volume  0.75136E-02 ppm1      2.141 ppm2      0.872 CV     1
 ASSI { 1390}
   (( segid "    " and resid 87   and name HG# ))
   (  segid "    " and resid 82   and name HG# )
      3.700     1.700     1.700 peak  1390 weight  0.10000E+01 volume  0.35753E-03 ppm1      2.137 ppm2      0.628 CV     1
 ASSI { 1407}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB# ))
      2.100     0.600     0.600 peak  1407 weight  0.10000E+01 volume  0.11057E-01 ppm1      1.071 ppm2      1.321 CV     1
 ASSI { 1413}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HG  ))
      1.700     0.400     0.500 peak  1413 weight  0.10000E+01 volume  0.35938E-01 ppm1      0.459 ppm2      1.105 CV     1
 OR { 1413}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HB# ))
 ASSI { 1414}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 70   and name HG1#))
      2.900     1.100     1.100 peak  1414 weight  0.10000E+01 volume  0.16000E-02 ppm1      0.459 ppm2      1.339 CV     1
 ASSI { 1420}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  1420 weight  0.10000E+01 volume  0.25403E-02 ppm1      0.459 ppm2      3.405 CV     1
 ASSI { 1424}
   (  segid "    " and resid 78   and name HD# )
   (  segid "    " and resid 63   and name HE% )
      2.600     0.800     0.800 peak  1424 weight  0.10000E+01 volume  0.31444E-02 ppm1      0.459 ppm2      6.122 CV     1
 ASSI { 1427}
   (  segid "    " and resid 78   and name HD# )
   (  segid "    " and resid 80   and name HE% )
      2.700     0.900     0.900 peak  1427 weight  0.10000E+01 volume  0.24971E-02 ppm1      0.459 ppm2      6.641 CV     1
 ASSI { 1429}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 79   and name HN  ))
      3.000     1.100     1.100 peak  1429 weight  0.10000E+01 volume  0.12273E-02 ppm1      0.459 ppm2      9.152 CV     1
 ASSI { 1440}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 27   and name HA  ))
      3.600     1.600     1.600 peak  1440 weight  0.10000E+01 volume  0.43381E-03 ppm1      1.430 ppm2      5.103 CV     1
 ASSI { 1441}
   (( segid "    " and resid 30   and name HG# ))
   (  segid "    " and resid 27   and name HD% )
      3.000     1.100     1.100 peak  1441 weight  0.10000E+01 volume  0.14123E-02 ppm1      1.437 ppm2      7.177 CV     1
 ASSI { 1458}
   (( segid "    " and resid 43   and name HG1#))
   (  segid "    " and resid 111  and name HE% )
      2.700     0.900     0.900 peak  1458 weight  0.10000E+01 volume  0.27357E-02 ppm1      1.453 ppm2      6.652 CV     1
 ASSI { 1465}
   (( segid "    " and resid 42   and name HG# ))
   (( segid "    " and resid 42   and name HA  ))
      2.100     0.600     0.600 peak  1465 weight  0.10000E+01 volume  0.10045E-01 ppm1      1.707 ppm2      4.475 CV     1
 ASSI { 1467}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 28   and name HB# ))
      2.100     0.500     0.500 peak  1467 weight  0.10000E+01 volume  0.12402E-01 ppm1      1.943 ppm2      2.318 CV     1
 ASSI { 1470}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 28   and name HD# ))
      2.200     0.600     0.600 peak  1470 weight  0.10000E+01 volume  0.89280E-02 ppm1      1.943 ppm2      3.618 CV     1
 ASSI { 1473}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1473 weight  0.10000E+01 volume  0.32411E-02 ppm1      1.939 ppm2      4.445 CV     1
 ASSI { 1474}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak  1474 weight  0.10000E+01 volume  0.20237E-02 ppm1      1.926 ppm2      5.081 CV     1
 ASSI { 1486}
   (( segid "    " and resid 86   and name HG1#))
   (  segid "    " and resid 81   and name HD% )
      2.800     1.000     1.000 peak  1486 weight  0.10000E+01 volume  0.18051E-02 ppm1      0.799 ppm2      6.919 CV     1
 ASSI { 1490}
   (( segid "    " and resid 88   and name HG# ))
   (  segid "    " and resid 96   and name HD# )
      2.900     1.100     1.100 peak  1490 weight  0.10000E+01 volume  0.14888E-02 ppm1      2.189 ppm2      0.923 CV     1
 ASSI { 1493}
   (( segid "    " and resid 88   and name HG# ))
   (( segid "    " and resid 88   and name HD# ))
      2.100     0.600     0.600 peak  1493 weight  0.10000E+01 volume  0.96621E-02 ppm1      2.189 ppm2      3.575 CV     1
 ASSI { 1495}
   (( segid "    " and resid 88   and name HG# ))
   (( segid "    " and resid 88   and name HA  ))
      2.400     0.700     0.700 peak  1495 weight  0.10000E+01 volume  0.46347E-02 ppm1      2.189 ppm2      4.728 CV     1
 ASSI { 1496}
   (( segid "    " and resid 88   and name HG# ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak  1496 weight  0.10000E+01 volume  0.28661E-02 ppm1      2.189 ppm2      4.844 CV     1
 ASSI { 1499}
   (( segid "    " and resid 12   and name HG# ))
   (( segid "    " and resid 12   and name HB# ))
      2.100     0.500     0.500 peak  1499 weight  0.10000E+01 volume  0.12300E-01 ppm1      2.145 ppm2      2.587 CV     1
 ASSI { 1500}
   (( segid "    " and resid 12   and name HG# ))
   (( segid "    " and resid 12   and name HD# ))
      2.200     0.600     0.600 peak  1500 weight  0.10000E+01 volume  0.85911E-02 ppm1      2.151 ppm2      3.716 CV     1
 ASSI { 1502}
   (( segid "    " and resid 12   and name HG# ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak  1502 weight  0.10000E+01 volume  0.34346E-02 ppm1      2.141 ppm2      4.598 CV     1
 ASSI { 1503}
   (( segid "    " and resid 12   and name HG# ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak  1503 weight  0.10000E+01 volume  0.20462E-02 ppm1      2.150 ppm2      5.034 CV     1
 ASSI { 1510}
   (( segid "    " and resid 86   and name HG1#))
   (  segid "    " and resid 81   and name HD% )
      3.000     1.100     1.100 peak  1510 weight  0.10000E+01 volume  0.13969E-02 ppm1      1.535 ppm2      6.905 CV     1
 ASSI { 1511}
   (( segid "    " and resid 86   and name HG1#))
   (  segid "    " and resid 81   and name HE% )
      2.800     1.000     1.000 peak  1511 weight  0.10000E+01 volume  0.17991E-02 ppm1      1.530 ppm2      7.167 CV     1
 ASSI { 1515}
   (( segid "    " and resid 39   and name HG# ))
   (  segid "    " and resid 38   and name HB% )
      3.000     1.100     1.100 peak  1515 weight  0.10000E+01 volume  0.13525E-02 ppm1      1.986 ppm2      1.210 CV     1
 ASSI { 1525}
   (( segid "    " and resid 39   and name HG# ))
   (  segid "    " and resid 117  and name HE% )
      3.200     1.300     1.300 peak  1525 weight  0.10000E+01 volume  0.87676E-03 ppm1      1.986 ppm2      6.607 CV     1
 ASSI { 1526}
   (( segid "    " and resid 39   and name HG# ))
   (  segid "    " and resid 117  and name HE% )
      3.400     1.400     1.400 peak  1526 weight  0.10000E+01 volume  0.63284E-03 ppm1      2.038 ppm2      6.620 CV     1
 ASSI { 1543}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 24   and name HA  ))
      2.200     0.600     0.600 peak  1543 weight  0.10000E+01 volume  0.96526E-02 ppm1      1.694 ppm2      4.011 CV     1
 ASSI { 1545}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 24   and name HD# ))
      2.600     0.800     0.800 peak  1545 weight  0.10000E+01 volume  0.30609E-02 ppm1      1.620 ppm2      3.220 CV     1
 ASSI { 1548}
   (( segid "    " and resid 93   and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      2.600     0.800     0.800 peak  1548 weight  0.10000E+01 volume  0.34423E-02 ppm1      1.405 ppm2      0.394 CV     1
 ASSI { 1549}
   (( segid "    " and resid 93   and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      2.700     0.900     0.900 peak  1549 weight  0.10000E+01 volume  0.26463E-02 ppm1      1.969 ppm2      0.388 CV     1
 ASSI { 1550}
   (( segid "    " and resid 93   and name HB# ))
   (  segid "    " and resid 33   and name HG# )
      2.900     1.100     1.100 peak  1550 weight  0.10000E+01 volume  0.15909E-02 ppm1      1.969 ppm2      0.567 CV     1
 ASSI { 1567}
   (( segid "    " and resid 40   and name HD# ))
   (  segid "    " and resid 119  and name HD# )
      2.800     1.000     1.000 peak  1567 weight  0.10000E+01 volume  0.21168E-02 ppm1      1.580 ppm2      0.817 CV     1
 ASSI { 1581}
   (( segid "    " and resid 17   and name HB# ))
   (  segid "    " and resid 13   and name HD% )
      3.100     1.200     1.200 peak  1581 weight  0.10000E+01 volume  0.10047E-02 ppm1      0.906 ppm2      7.313 CV     1
 ASSI { 1582}
   (( segid "    " and resid 4    and name HD# ))
   (( segid "    " and resid 4    and name HG# ))
      2.000     0.500     0.500 peak  1582 weight  0.10000E+01 volume  0.13061E-01 ppm1      1.629 ppm2      1.250 CV     1
 ASSI { 1584}
   (( segid "    " and resid 4    and name HD# ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak  1584 weight  0.10000E+01 volume  0.34579E-02 ppm1      1.629 ppm2      4.542 CV     1
 ASSI { 1587}
   (( segid "    " and resid 14   and name HB# ))
   (( segid "    " and resid 14   and name HA  ))
      2.100     0.500     0.500 peak  1587 weight  0.10000E+01 volume  0.12392E-01 ppm1      2.101 ppm2      3.756 CV     1
 ASSI { 1593}
   (( segid "    " and resid 15   and name HD# ))
   (( segid "    " and resid 14   and name HG# ))
      4.000     2.000     2.000 peak  1593 weight  0.10000E+01 volume  0.23519E-03 ppm1      1.776 ppm2      2.499 CV     1
 ASSI { 1596}
   (( segid "    " and resid 15   and name HD# ))
   (( segid "    " and resid 12   and name HD# ))
      2.600     0.900     0.900 peak  1596 weight  0.10000E+01 volume  0.30306E-02 ppm1      1.776 ppm2      3.716 CV     1
 ASSI { 1597}
   (( segid "    " and resid 15   and name HD# ))
   (( segid "    " and resid 12   and name HD# ))
      3.900     1.900     1.900 peak  1597 weight  0.10000E+01 volume  0.26270E-03 ppm1      1.776 ppm2      3.913 CV     1
 ASSI { 1600}
   (( segid "    " and resid 15   and name HD# ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1600 weight  0.10000E+01 volume  0.11281E-02 ppm1      1.776 ppm2      5.042 CV     1
 ASSI { 1601}
   (( segid "    " and resid 48   and name HD# ))
   (  segid "    " and resid 51   and name HE% )
      2.700     0.900     0.900 peak  1601 weight  0.10000E+01 volume  0.23305E-02 ppm1      1.496 ppm2      6.620 CV     1
 ASSI { 1616}
   (( segid "    " and resid 26   and name HD# ))
   (( segid "    " and resid 26   and name HE# ))
      2.200     0.600     0.600 peak  1616 weight  0.10000E+01 volume  0.74131E-02 ppm1      1.380 ppm2      2.790 CV     1
 ASSI { 1617}
   (( segid "    " and resid 26   and name HD# ))
   (( segid "    " and resid 26   and name HE# ))
      2.200     0.600     0.600 peak  1617 weight  0.10000E+01 volume  0.79468E-02 ppm1      1.453 ppm2      2.778 CV     1
 ASSI { 1620}
   (( segid "    " and resid 26   and name HD# ))
   (  segid "    " and resid 27   and name HE% )
      2.600     0.900     0.900 peak  1620 weight  0.10000E+01 volume  0.28682E-02 ppm1      1.393 ppm2      6.729 CV     1
 ASSI { 1621}
   (( segid "    " and resid 26   and name HD# ))
   (  segid "    " and resid 27   and name HE% )
      2.600     0.800     0.800 peak  1621 weight  0.10000E+01 volume  0.32065E-02 ppm1      1.448 ppm2      6.735 CV     1
 ASSI { 1623}
   (( segid "    " and resid 26   and name HD# ))
   (  segid "    " and resid 27   and name HD% )
      3.100     1.200     1.200 peak  1623 weight  0.10000E+01 volume  0.11196E-02 ppm1      1.397 ppm2      7.177 CV     1
 ASSI { 1625}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 37   and name HE# ))
      2.100     0.500     0.500 peak  1625 weight  0.10000E+01 volume  0.12319E-01 ppm1      1.655 ppm2      2.990 CV     1
 ASSI { 1626}
   (( segid "    " and resid 22   and name HD# ))
   (( segid "    " and resid 22   and name HB# ))
      2.100     0.600     0.600 peak  1626 weight  0.10000E+01 volume  0.99740E-02 ppm1      1.680 ppm2      1.930 CV     1
 ASSI { 1627}
   (( segid "    " and resid 22   and name HD# ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak  1627 weight  0.10000E+01 volume  0.20032E-02 ppm1      1.679 ppm2      3.864 CV     1
 ASSI { 1631}
   (( segid "    " and resid 37   and name HD# ))
   (  segid "    " and resid 111  and name HE% )
      3.000     1.100     1.100 peak  1631 weight  0.10000E+01 volume  0.13131E-02 ppm1      1.675 ppm2      6.646 CV     1
 ASSI { 1641}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 37   and name HE# ))
      2.300     0.700     0.700 peak  1641 weight  0.10000E+01 volume  0.63828E-02 ppm1      1.500 ppm2      3.002 CV     1
 ASSI { 1643}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 52   and name HD# )
      2.500     0.800     0.800 peak  1643 weight  0.10000E+01 volume  0.43758E-02 ppm1      1.193 ppm2      0.462 CV     1
 ASSI { 1644}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 23   and name HD# )
      1.900     0.500     0.500 peak  1644 weight  0.10000E+01 volume  0.20089E-01 ppm1      1.212 ppm2      0.868 CV     1
 ASSI { 1648}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 27   and name HD% )
      3.200     1.200     1.200 peak  1648 weight  0.20000E+01 volume  0.95780E-03 ppm1      1.207 ppm2      7.151 CV     1
 ASSI { 1651}
   (( segid "    " and resid 67   and name HG# ))
   (( segid "    " and resid 67   and name HB# ))
      2.000     0.500     0.500 peak  1651 weight  0.10000E+01 volume  0.13419E-01 ppm1      1.182 ppm2      1.599 CV     1
 ASSI { 1654}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 23   and name HD# )
      2.000     0.500     0.500 peak  1654 weight  0.10000E+01 volume  0.17171E-01 ppm1      1.823 ppm2      0.875 CV     1
 ASSI { 1658}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 27   and name HD% )
      3.000     1.100     1.100 peak  1658 weight  0.10000E+01 volume  0.12651E-02 ppm1      1.817 ppm2      7.152 CV     1
 ASSI { 1671}
   (( segid "    " and resid 49   and name HD# ))
   (( segid "    " and resid 36   and name HG# ))
      2.600     0.800     0.800 peak  1671 weight  0.10000E+01 volume  0.31675E-02 ppm1      2.021 ppm2      2.605 CV     1
 ASSI { 1673}
   (( segid "    " and resid 49   and name HD# ))
   (( segid "    " and resid 7    and name HB# ))
      2.900     1.100     1.100 peak  1673 weight  0.10000E+01 volume  0.15905E-02 ppm1      2.025 ppm2      3.508 CV     1
 ASSI { 1674}
   (( segid "    " and resid 49   and name HD# ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak  1674 weight  0.10000E+01 volume  0.99673E-03 ppm1      2.022 ppm2      4.971 CV     1
 ASSI { 1678}
   (( segid "    " and resid 67   and name HG# ))
   (( segid "    " and resid 67   and name HD# ))
      2.400     0.700     0.700 peak  1678 weight  0.10000E+01 volume  0.50132E-02 ppm1      1.177 ppm2      2.805 CV     1
 ASSI { 1688}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HD# ))
      2.500     0.800     0.800 peak  1688 weight  0.10000E+01 volume  0.43821E-02 ppm1      1.935 ppm2      3.292 CV     1
 ASSI { 1689}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 66   and name HA  ))
      2.900     1.000     1.000 peak  1689 weight  0.10000E+01 volume  0.16313E-02 ppm1      1.930 ppm2      3.420 CV     1
 ASSI { 1690}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  1690 weight  0.10000E+01 volume  0.23715E-02 ppm1      1.836 ppm2      3.420 CV     1
 ASSI { 1691}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HD# ))
      2.400     0.700     0.700 peak  1691 weight  0.10000E+01 volume  0.45632E-02 ppm1      1.836 ppm2      3.285 CV     1
 ASSI { 1696}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 49   and name HD# ))
      2.400     0.700     0.700 peak  1696 weight  0.10000E+01 volume  0.49046E-02 ppm1      1.565 ppm2      2.037 CV     1
 ASSI { 1697}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 49   and name HD# ))
      2.400     0.700     0.700 peak  1697 weight  0.10000E+01 volume  0.50328E-02 ppm1      1.436 ppm2      2.034 CV     1
 ASSI { 1702}
   (( segid "    " and resid 8    and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      3.100     1.200     1.200 peak  1702 weight  0.10000E+01 volume  0.11844E-02 ppm1      1.552 ppm2      7.222 CV     1
 ASSI { 1703}
   (( segid "    " and resid 8    and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      3.200     1.300     1.300 peak  1703 weight  0.10000E+01 volume  0.85937E-03 ppm1      1.431 ppm2      7.222 CV     1
 ASSI { 1719}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 73   and name HD# ))
      2.500     0.800     0.800 peak  1719 weight  0.10000E+01 volume  0.40176E-02 ppm1      1.664 ppm2      3.261 CV     1
 ASSI { 1732}
   (( segid "    " and resid 32   and name HB# ))
   (  segid "    " and resid 23   and name HD# )
      2.600     0.900     0.900 peak  1732 weight  0.10000E+01 volume  0.27557E-02 ppm1      1.870 ppm2      0.875 CV     1
 ASSI { 1733}
   (( segid "    " and resid 32   and name HB# ))
   (  segid "    " and resid 23   and name HD# )
      2.500     0.800     0.800 peak  1733 weight  0.10000E+01 volume  0.40103E-02 ppm1      1.590 ppm2      0.875 CV     1
 OR { 1733}
   (( segid "    " and resid 32   and name HB# ))
   (  segid "    " and resid 23   and name HG# )
 ASSI { 1738}
   (( segid "    " and resid 32   and name HB# ))
   (( segid "    " and resid 32   and name HD# ))
      3.100     1.200     1.200 peak  1738 weight  0.10000E+01 volume  0.98458E-03 ppm1      1.879 ppm2      3.357 CV     1
 ASSI { 1742}
   (( segid "    " and resid 32   and name HB# ))
   (  segid "    " and resid 106  and name HE% )
      2.900     1.000     1.000 peak  1742 weight  0.10000E+01 volume  0.17706E-02 ppm1      1.870 ppm2      7.211 CV     1
 ASSI { 1746}
   (( segid "    " and resid 40   and name HB# ))
   (( segid "    " and resid 40   and name HG# ))
      2.200     0.600     0.600 peak  1746 weight  0.10000E+01 volume  0.93523E-02 ppm1      1.806 ppm2      1.285 CV     1
 ASSI { 1747}
   (( segid "    " and resid 40   and name HB# ))
   (( segid "    " and resid 40   and name HG# ))
      2.200     0.600     0.600 peak  1747 weight  0.10000E+01 volume  0.96038E-02 ppm1      1.857 ppm2      1.291 CV     1
 ASSI { 1757}
   (( segid "    " and resid 3    and name HG# ))
   (  segid "    " and resid 117  and name HE% )
      3.300     1.300     1.300 peak  1757 weight  0.10000E+01 volume  0.80471E-03 ppm1      1.737 ppm2      6.581 CV     1
 ASSI { 1758}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 5    and name HZ  ))
      3.800     1.800     1.800 peak  1758 weight  0.10000E+01 volume  0.33155E-03 ppm1      1.740 ppm2      7.219 CV     1
 OR { 1758}
   (( segid "    " and resid 3    and name HG# ))
   (  segid "    " and resid 5    and name HD% )
 ASSI { 1759}
   (( segid "    " and resid 3    and name HG# ))
   (  segid "    " and resid 5    and name HE% )
      3.000     1.100     1.100 peak  1759 weight  0.10000E+01 volume  0.14010E-02 ppm1      1.741 ppm2      7.420 CV     1
 ASSI { 1762}
   (( segid "    " and resid 25   and name HB# ))
   (( segid "    " and resid 25   and name HD# ))
      2.000     0.500     0.500 peak  1762 weight  0.10000E+01 volume  0.14048E-01 ppm1      1.754 ppm2      1.557 CV     1
 ASSI { 1764}
   (( segid "    " and resid 25   and name HB# ))
   (( segid "    " and resid 22   and name HA  ))
      2.100     0.500     0.500 peak  1764 weight  0.10000E+01 volume  0.11365E-01 ppm1      1.754 ppm2      3.880 CV     1
 ASSI { 1765}
   (( segid "    " and resid 25   and name HB# ))
   (( segid "    " and resid 25   and name HA  ))
      2.000     0.500     0.500 peak  1765 weight  0.10000E+01 volume  0.27481E-01 ppm1      1.753 ppm2      3.961 CV     1
 ASSI { 1766} {recalib c 2182}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 40   and name HG# ))
      3.300     1.300     1.300 peak  1766 weight  0.10000E+01 volume  0.35191E-02 ppm1      1.823 ppm2      1.311 CV     1
 ASSI { 1773}
   (( segid "    " and resid 39   and name HB# ))
   (  segid "    " and resid 117  and name HE% )
      3.300     1.400     1.400 peak  1773 weight  0.10000E+01 volume  0.68161E-03 ppm1      1.814 ppm2      6.580 CV     1
 ASSI { 1782}
   (( segid "    " and resid 87   and name HB# ))
   (  segid "    " and resid 96   and name HD# )
      2.200     0.600     0.600 peak  1782 weight  0.10000E+01 volume  0.85240E-02 ppm1      1.999 ppm2      0.902 CV     1
 ASSI { 1783}
   (( segid "    " and resid 87   and name HB# ))
   (  segid "    " and resid 96   and name HD# )
      2.200     0.600     0.600 peak  1783 weight  0.10000E+01 volume  0.73903E-02 ppm1      2.180 ppm2      0.896 CV     1
 ASSI { 1785}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 3    and name HB# ))
      2.100     0.600     0.600 peak  1785 weight  0.10000E+01 volume  0.10239E-01 ppm1      2.158 ppm2      1.857 CV     1
 ASSI { 1789}
   (( segid "    " and resid 3    and name HG# ))
   (  segid "    " and resid 117  and name HD% )
      3.300     1.300     1.300 peak  1789 weight  0.10000E+01 volume  0.80283E-03 ppm1      2.171 ppm2      6.596 CV     1
 OR { 1789}
   (( segid "    " and resid 3    and name HG# ))
   (  segid "    " and resid 117  and name HE% )
 ASSI { 1793}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 88   and name HG# ))
      1.800     0.400     0.400 peak  1793 weight  0.10000E+01 volume  0.26009E-01 ppm1      2.047 ppm2      2.175 CV     1
 ASSI { 1799}
   (( segid "    " and resid 93   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      2.500     0.800     0.800 peak  1799 weight  0.10000E+01 volume  0.41103E-02 ppm1      2.180 ppm2      0.971 CV     1
 ASSI { 1806}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HD# ))
      2.100     0.500     0.500 peak  1806 weight  0.10000E+01 volume  0.12028E-01 ppm1      1.922 ppm2      1.663 CV     1
 OR { 1806}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HG# ))
 ASSI { 1808}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HD# ))
      2.000     0.500     0.500 peak  1808 weight  0.10000E+01 volume  0.13815E-01 ppm1      1.982 ppm2      1.663 CV     1
 ASSI { 1812}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak  1812 weight  0.10000E+01 volume  0.52116E-02 ppm1      1.991 ppm2      4.104 CV     1
 ASSI { 1814}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.000     1.000 peak  1814 weight  0.10000E+01 volume  0.17212E-02 ppm1      2.003 ppm2      7.459 CV     1
 ASSI { 1817}
   (( segid "    " and resid 99   and name HB# ))
   (  segid "    " and resid 96   and name HD# )
      3.500     1.600     1.600 peak  1817 weight  0.10000E+01 volume  0.47953E-03 ppm1      1.496 ppm2      0.905 CV     1
 ASSI { 1834}
   (( segid "    " and resid 37   and name HB# ))
   (  segid "    " and resid 111  and name HE% )
      2.600     0.900     0.900 peak  1834 weight  0.10000E+01 volume  0.28304E-02 ppm1      1.570 ppm2      6.651 CV     1
 ASSI { 1840}
   (( segid "    " and resid 114  and name HB# ))
   (  segid "    " and resid 116  and name HG# )
      2.700     0.900     0.900 peak  1840 weight  0.10000E+01 volume  0.23694E-02 ppm1      1.864 ppm2      0.757 CV     1
 ASSI { 1841}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      3.000     1.100     1.100 peak  1841 weight  0.10000E+01 volume  0.12394E-02 ppm1      1.872 ppm2      7.206 CV     1
 OR { 1841}
   (( segid "    " and resid 3    and name HB# ))
   (( segid "    " and resid 5    and name HZ  ))
 ASSI { 1843}
   (( segid "    " and resid 4    and name HB# ))
   (  segid "    " and resid 119  and name HD# )
      3.400     1.400     1.400 peak  1843 weight  0.10000E+01 volume  0.61683E-03 ppm1      1.675 ppm2      0.782 CV     1
 ASSI { 1846}
   (( segid "    " and resid 4    and name HB# ))
   (( segid "    " and resid 4    and name HE# ))
      3.200     1.300     1.300 peak  1846 weight  0.10000E+01 volume  0.95213E-03 ppm1      1.680 ppm2      2.914 CV     1
 ASSI { 1851}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 57   and name HD# )
      2.500     0.800     0.800 peak  1851 weight  0.10000E+01 volume  0.35187E-02 ppm1      1.971 ppm2      0.966 CV     1
 ASSI { 1863}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      3.100     1.200     1.200 peak  1863 weight  0.10000E+01 volume  0.11197E-02 ppm1      1.740 ppm2      7.208 CV     1
 OR { 1863}
   (( segid "    " and resid 3    and name HB# ))
   (( segid "    " and resid 5    and name HZ  ))
 ASSI { 1864}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 5    and name HE% )
      2.800     1.000     1.000 peak  1864 weight  0.10000E+01 volume  0.18896E-02 ppm1      1.748 ppm2      7.430 CV     1
 ASSI { 1865}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 5    and name HE% )
      2.800     1.000     1.000 peak  1865 weight  0.10000E+01 volume  0.18235E-02 ppm1      1.870 ppm2      7.405 CV     1
 ASSI { 1866}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      3.000     1.100     1.100 peak  1866 weight  0.10000E+01 volume  0.12603E-02 ppm1      1.878 ppm2      7.208 CV     1
 ASSI { 1873}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 22   and name HD# ))
      2.600     0.900     0.900 peak  1873 weight  0.10000E+01 volume  0.30271E-02 ppm1      1.228 ppm2      1.677 CV     1
 OR { 1873}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 22   and name HG# ))
 ASSI { 1880}
   (( segid "    " and resid 26   and name HB# ))
   (  segid "    " and resid 27   and name HD% )
      2.900     1.100     1.100 peak  1880 weight  0.10000E+01 volume  0.15075E-02 ppm1      1.487 ppm2      7.158 CV     1
 ASSI { 1885}
   (( segid "    " and resid 31   and name HB  ))
   (  segid "    " and resid 97   and name HD% )
      2.800     1.000     1.000 peak  1885 weight  0.10000E+01 volume  0.19592E-02 ppm1      1.391 ppm2      6.965 CV     1
 ASSI { 1892}
   (( segid "    " and resid 116  and name HB  ))
   (  segid "    " and resid 81   and name HE% )
      3.400     1.400     1.400 peak  1892 weight  0.10000E+01 volume  0.65355E-03 ppm1      1.798 ppm2      7.203 CV     1
 ASSI { 1896}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 48   and name HD# ))
      2.200     0.600     0.600 peak  1896 weight  0.10000E+01 volume  0.77684E-02 ppm1      1.644 ppm2      1.385 CV     1
 ASSI { 1900}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 69   and name HD# ))
      3.200     1.300     1.300 peak  1900 weight  0.10000E+01 volume  0.85695E-03 ppm1      1.641 ppm2      3.292 CV     1
 ASSI { 1901}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 48   and name HA  ))
      2.200     0.600     0.600 peak  1901 weight  0.10000E+01 volume  0.92971E-02 ppm1      1.647 ppm2      4.493 CV     1
 ASSI { 1903}
   (( segid "    " and resid 48   and name HB# ))
   (  segid "    " and resid 51   and name HE% )
      2.900     1.100     1.100 peak  1903 weight  0.10000E+01 volume  0.14597E-02 ppm1      1.644 ppm2      6.619 CV     1
 ASSI { 1927}
   (( segid "    " and resid 82   and name HB  ))
   (  segid "    " and resid 82   and name HG# )
      2.100     0.500     0.500 peak  1927 weight  0.10000E+01 volume  0.12596E-01 ppm1      1.718 ppm2      0.827 CV     1
 ASSI { 1928}
   (( segid "    " and resid 82   and name HB  ))
   (  segid "    " and resid 96   and name HD# )
      2.800     1.000     1.000 peak  1928 weight  0.10000E+01 volume  0.18303E-02 ppm1      1.722 ppm2      0.910 CV     1
 ASSI { 1934}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 66   and name HG1#))
      2.200     0.600     0.600 peak  1934 weight  0.10000E+01 volume  0.93601E-02 ppm1      1.790 ppm2      0.448 CV     1
 ASSI { 1938}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak  1938 weight  0.10000E+01 volume  0.19802E-02 ppm1      1.793 ppm2      3.426 CV     1
 ASSI { 1971}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 31   and name HG# )
      3.300     1.400     1.400 peak  1971 weight  0.10000E+01 volume  0.74569E-03 ppm1      1.748 ppm2      0.387 CV     1
 ASSI { 1972}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG# )
      2.000     0.500     0.500 peak  1972 weight  0.10000E+01 volume  0.17129E-01 ppm1      1.751 ppm2      0.593 CV     1
 ASSI { 1973}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 53   and name HG# )
      2.800     1.000     1.000 peak  1973 weight  0.10000E+01 volume  0.21042E-02 ppm1      1.751 ppm2      0.840 CV     1
 ASSI { 1978}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.800     0.800 peak  1978 weight  0.10000E+01 volume  0.39121E-02 ppm1      1.746 ppm2      5.125 CV     1
 ASSI { 1979}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 62   and name HZ  ))
      3.200     1.300     1.300 peak  1979 weight  0.10000E+01 volume  0.83623E-03 ppm1      1.751 ppm2      6.243 CV     1
 ASSI { 1980}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 51   and name HD% )
      2.900     1.000     1.000 peak  1980 weight  0.10000E+01 volume  0.17165E-02 ppm1      1.746 ppm2      7.064 CV     1
 ASSI { 1981}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak  1981 weight  0.10000E+01 volume  0.86546E-03 ppm1      1.751 ppm2      8.769 CV     1
 ASSI { 1983}
   (( segid "    " and resid 36   and name HB# ))
   (  segid "    " and resid 34   and name HG# )
      3.200     1.300     1.300 peak  1983 weight  0.10000E+01 volume  0.93128E-03 ppm1      1.908 ppm2      0.653 CV     1
 ASSI { 1987}
   (( segid "    " and resid 36   and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      2.800     1.000     1.000 peak  1987 weight  0.10000E+01 volume  0.18832E-02 ppm1      1.908 ppm2      7.216 CV     1
 ASSI { 2000}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 25   and name HE# ))
      3.400     1.400     1.400 peak  2000 weight  0.10000E+01 volume  0.65756E-03 ppm1      1.913 ppm2      2.871 CV     1
 ASSI { 2001}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 25   and name HE# ))
      3.400     1.500     1.500 peak  2001 weight  0.10000E+01 volume  0.57104E-03 ppm1      2.013 ppm2      2.871 CV     1
 ASSI { 2006}
   (( segid "    " and resid 21   and name HG# ))
   (  segid "    " and resid 105  and name HE% )
      3.000     1.100     1.100 peak  2006 weight  0.10000E+01 volume  0.14114E-02 ppm1      2.025 ppm2      7.325 CV     1
 ASSI { 2007}
   (( segid "    " and resid 21   and name HG# ))
   (  segid "    " and resid 105  and name HE% )
      2.900     1.000     1.000 peak  2007 weight  0.10000E+01 volume  0.17024E-02 ppm1      1.920 ppm2      7.333 CV     1
 ASSI { 2008}
   (( segid "    " and resid 21   and name HG# ))
   (  segid "    " and resid 105  and name HD% )
      3.000     1.100     1.100 peak  2008 weight  0.10000E+01 volume  0.12270E-02 ppm1      1.923 ppm2      7.082 CV     1
 ASSI { 2017}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 106  and name HD% )
      3.100     1.200     1.200 peak  2017 weight  0.10000E+01 volume  0.11121E-02 ppm1      1.266 ppm2      6.877 CV     1
 ASSI { 2019}
   (( segid "    " and resid 117  and name HB# ))
   (  segid "    " and resid 81   and name HE% )
      3.200     1.200     1.200 peak  2019 weight  0.10000E+01 volume  0.97243E-03 ppm1      1.860 ppm2      7.174 CV     1
 ASSI { 2021}
   (( segid "    " and resid 117  and name HB# ))
   (  segid "    " and resid 81   and name HD% )
      3.500     1.500     1.500 peak  2021 weight  0.10000E+01 volume  0.54964E-03 ppm1      1.867 ppm2      6.905 CV     1
 ASSI { 2025}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HD# )
      1.900     0.400     0.400 peak  2025 weight  0.10000E+01 volume  0.21418E-01 ppm1      1.819 ppm2      0.866 CV     1
 OR { 2025}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG# )
 ASSI { 2031}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 27   and name HD% )
      3.100     1.200     1.200 peak  2031 weight  0.10000E+01 volume  0.10909E-02 ppm1      1.816 ppm2      7.157 CV     1
 ASSI { 2041}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HG1#))
      2.000     0.500     0.500 peak  2041 weight  0.10000E+01 volume  0.15569E-01 ppm1      1.763 ppm2      0.820 CV     1
 OR { 2041}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 86   and name HD# )
 ASSI { 2055}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG# )
      1.900     0.500     0.500 peak  2055 weight  0.10000E+01 volume  0.19581E-01 ppm1      2.074 ppm2      1.121 CV     1
 OR { 2055}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HD# )
 ASSI { 2056}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HG1#))
      2.400     0.700     0.700 peak  2056 weight  0.10000E+01 volume  0.47669E-02 ppm1      2.080 ppm2      1.439 CV     1
 ASSI { 2079}
   (( segid "    " and resid 65   and name HB# ))
   (  segid "    " and resid 66   and name HD# )
      3.400     1.500     1.500 peak  2079 weight  0.10000E+01 volume  0.59231E-03 ppm1      1.640 ppm2     -0.130 CV     1
 ASSI { 2117}
   (( segid "    " and resid 72   and name HB# ))
   (  segid "    " and resid 70   and name HD# )
      3.300     1.400     1.400 peak  2117 weight  0.10000E+01 volume  0.69816E-03 ppm1      1.686 ppm2      0.452 CV     1
 ASSI { 2125}
   (( segid "    " and resid 72   and name HB# ))
   (  segid "    " and resid 72   and name HD# )
      2.100     0.600     0.600 peak  2125 weight  0.10000E+01 volume  0.97148E-02 ppm1      1.378 ppm2      0.867 CV     1
 ASSI { 2128}
   (( segid "    " and resid 72   and name HB# ))
   (  segid "    " and resid 70   and name HD# )
      3.000     1.100     1.100 peak  2128 weight  0.10000E+01 volume  0.13439E-02 ppm1      1.376 ppm2      0.456 CV     1
 ASSI { 2140}
   (( segid "    " and resid 57   and name HB# ))
   (( segid "    " and resid 54   and name HB# ))
      2.400     0.700     0.700 peak  2140 weight  0.10000E+01 volume  0.45022E-02 ppm1      1.488 ppm2      2.009 CV     1
 ASSI { 2160}
   (( segid "    " and resid 46   and name HB# ))
   (  segid "    " and resid 111  and name HE% )
      2.600     0.900     0.900 peak  2160 weight  0.10000E+01 volume  0.29253E-02 ppm1      1.819 ppm2      6.647 CV     1
 ASSI { 2164}
   (( segid "    " and resid 78   and name HB# ))
   (  segid "    " and resid 63   and name HE% )
      2.900     1.100     1.100 peak  2164 weight  0.10000E+01 volume  0.15176E-02 ppm1      1.109 ppm2      6.132 CV     1
 ASSI { 2165}
   (( segid "    " and resid 78   and name HB# ))
   (  segid "    " and resid 63   and name HD% )
      3.100     1.200     1.200 peak  2165 weight  0.10000E+01 volume  0.11049E-02 ppm1      1.109 ppm2      6.316 CV     1
 ASSI { 2166}
   (( segid "    " and resid 78   and name HB# ))
   (( segid "    " and resid 79   and name HN  ))
      3.000     1.100     1.100 peak  2166 weight  0.10000E+01 volume  0.12602E-02 ppm1      1.106 ppm2      9.160 CV     1
 ASSI { 2181}
   (( segid "    " and resid 107  and name HB# ))
   (  segid "    " and resid 97   and name HD% )
      2.600     0.900     0.900 peak  2181 weight  0.10000E+01 volume  0.29360E-02 ppm1      1.357 ppm2      6.957 CV     1
 ASSI { 2185}
   (( segid "    " and resid 20   and name HA# ))
   (  segid "    " and resid 23   and name HD# )
      2.500     0.800     0.800 peak  2185 weight  0.10000E+01 volume  0.38596E-02 ppm1      3.086 ppm2      0.876 CV     1
 ASSI { 2186}
   (( segid "    " and resid 20   and name HA# ))
   (  segid "    " and resid 23   and name HD# )
      2.700     0.900     0.900 peak  2186 weight  0.10000E+01 volume  0.27382E-02 ppm1      4.087 ppm2      0.880 CV     1
 ASSI { 2188}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 23   and name HB  ))
      2.800     1.000     1.000 peak  2188 weight  0.10000E+01 volume  0.20997E-02 ppm1      4.090 ppm2      1.823 CV     1
 ASSI { 2191}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 19   and name HB# ))
      3.600     1.600     1.600 peak  2191 weight  0.10000E+01 volume  0.44953E-03 ppm1      3.094 ppm2      2.334 CV     1
 ASSI { 2202}
   (( segid "    " and resid 94   and name HA# ))
   (  segid "    " and resid 31   and name HG# )
      2.300     0.600     0.600 peak  2202 weight  0.10000E+01 volume  0.68616E-02 ppm1      3.713 ppm2      0.394 CV     1
 ASSI { 2216}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 63   and name HB# ))
      3.200     1.200     1.200 peak  2216 weight  0.10000E+01 volume  0.97406E-03 ppm1      3.944 ppm2      3.119 CV     1
 ASSI { 2217}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 89   and name HB  ))
      2.300     0.700     0.700 peak  2217 weight  0.10000E+01 volume  0.63347E-02 ppm1      4.093 ppm2      4.249 CV     1
 ASSI { 2220}
   (( segid "    " and resid 60   and name HA# ))
   (  segid "    " and resid 63   and name HD% )
      2.500     0.800     0.800 peak  2220 weight  0.10000E+01 volume  0.36018E-02 ppm1      3.941 ppm2      6.314 CV     1
 ASSI { 2223}
   (( segid "    " and resid 60   and name HA# ))
   (  segid "    " and resid 63   and name HE% )
      4.500     2.500     1.500 peak  2223 weight  0.10000E+01 volume  0.11333E-03 ppm1      3.944 ppm2      6.155 CV     1
 ASSI { 2224}
   (( segid "    " and resid 60   and name HA# ))
   (  segid "    " and resid 63   and name HE% )
      3.600     1.600     1.600 peak  2224 weight  0.10000E+01 volume  0.46505E-03 ppm1      4.079 ppm2      6.143 CV     1
 ASSI { 2226}
   (( segid "    " and resid 44   and name HA# ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.200     1.200 peak  2226 weight  0.10000E+01 volume  0.12160E-02 ppm1      3.853 ppm2      4.440 CV     1
 ASSI { 2239}
   (( segid "    " and resid 118  and name HA# ))
   (( segid "    " and resid 40   and name HB# ))
      2.900     1.000     1.000 peak  2239 weight  0.10000E+01 volume  0.16445E-02 ppm1      3.559 ppm2      1.830 CV     1
 ASSI { 2244}
   (( segid "    " and resid 118  and name HA# ))
   (  segid "    " and resid 117  and name HD% )
      2.900     1.000     1.000 peak  2244 weight  0.10000E+01 volume  0.16533E-02 ppm1      3.554 ppm2      6.592 CV     1
 OR { 2244}
   (( segid "    " and resid 118  and name HA# ))
   (  segid "    " and resid 117  and name HE% )
 ASSI { 2245}
   (( segid "    " and resid 118  and name HA# ))
   (  segid "    " and resid 117  and name HD% )
      3.000     1.100     1.100 peak  2245 weight  0.10000E+01 volume  0.13357E-02 ppm1      3.683 ppm2      6.588 CV     1
 OR { 2245}
   (( segid "    " and resid 118  and name HA# ))
   (  segid "    " and resid 117  and name HE% )
 ASSI { 2280}
   (( segid "    " and resid 17   and name HD# ))
   (  segid "    " and resid 13   and name HD% )
      2.400     0.700     0.700 peak  2280 weight  0.10000E+01 volume  0.48672E-02 ppm1      3.130 ppm2      7.295 CV     1
 ASSI { 2291}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HB# ))
      2.200     0.600     0.600 peak  2291 weight  0.10000E+01 volume  0.82437E-02 ppm1      2.676 ppm2      1.424 CV     1
 OR { 2291}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HG# ))
 ASSI { 2292}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HG# ))
      2.200     0.600     0.600 peak  2292 weight  0.10000E+01 volume  0.91823E-02 ppm1      2.437 ppm2      1.429 CV     1
 ASSI { 2295}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak  2295 weight  0.10000E+01 volume  0.35082E-02 ppm1      2.676 ppm2      4.495 CV     1
 ASSI { 2307}
   (( segid "    " and resid 69   and name HD# ))
   (  segid "    " and resid 46   and name HD# )
      2.300     0.700     0.700 peak  2307 weight  0.10000E+01 volume  0.60578E-02 ppm1      3.298 ppm2      0.964 CV     1
 ASSI { 2312}
   (( segid "    " and resid 69   and name HD# ))
   (( segid "    " and resid 69   and name HG# ))
      1.800     0.400     0.400 peak  2312 weight  0.10000E+01 volume  0.27022E-01 ppm1      3.292 ppm2      1.915 CV     1
 ASSI { 2315}
   (( segid "    " and resid 69   and name HD# ))
   (  segid "    " and resid 51   and name HE% )
      2.300     0.600     0.600 peak  2315 weight  0.10000E+01 volume  0.70897E-02 ppm1      3.295 ppm2      6.617 CV     1
 ASSI { 2332}
   (( segid "    " and resid 67   and name HD# ))
   (( segid "    " and resid 67   and name HB# ))
      1.900     0.500     0.500 peak  2332 weight  0.10000E+01 volume  0.18677E-01 ppm1      2.811 ppm2      1.621 CV     1
 ASSI { 2336}
   (( segid "    " and resid 67   and name HD# ))
   (  segid "    " and resid 63   and name HD% )
      3.200     1.300     1.300 peak  2336 weight  0.10000E+01 volume  0.83886E-03 ppm1      2.814 ppm2      6.316 CV     1
 ASSI { 2339}
   (( segid "    " and resid 111  and name HB# ))
   (  segid "    " and resid 78   and name HD# )
      2.800     1.000     1.000 peak  2339 weight  0.10000E+01 volume  0.21395E-02 ppm1      2.828 ppm2      0.463 CV     1
 ASSI { 2352}
   (( segid "    " and resid 79   and name HB# ))
   (  segid "    " and resid 81   and name HE% )
      2.600     0.900     0.900 peak  2352 weight  0.10000E+01 volume  0.27966E-02 ppm1      2.620 ppm2      7.209 CV     1
 ASSI { 2353}
   (( segid "    " and resid 79   and name HB# ))
   (  segid "    " and resid 81   and name HE% )
      2.700     0.900     0.900 peak  2353 weight  0.10000E+01 volume  0.27488E-02 ppm1      2.528 ppm2      7.217 CV     1
 ASSI { 2356}
   (( segid "    " and resid 45   and name HB# ))
   (( segid "    " and resid 37   and name HE# ))
      3.100     1.200     1.200 peak  2356 weight  0.10000E+01 volume  0.11506E-02 ppm1      2.740 ppm2      3.006 CV     1
 ASSI { 2357}
   (( segid "    " and resid 45   and name HB# ))
   (( segid "    " and resid 37   and name HE# ))
      3.300     1.300     1.300 peak  2357 weight  0.10000E+01 volume  0.80533E-03 ppm1      2.533 ppm2      3.006 CV     1
 ASSI { 2362}
   (( segid "    " and resid 51   and name HB# ))
   (  segid "    " and resid 51   and name HE% )
      3.100     1.200     1.200 peak  2362 weight  0.10000E+01 volume  0.11489E-02 ppm1      2.836 ppm2      6.611 CV     1
 ASSI { 2364}
   (( segid "    " and resid 51   and name HB# ))
   (  segid "    " and resid 62   and name HE% )
      3.700     1.700     1.700 peak  2364 weight  0.10000E+01 volume  0.36030E-03 ppm1      2.659 ppm2      6.516 CV     1
 ASSI { 2365}
   (( segid "    " and resid 51   and name HB# ))
   (  segid "    " and resid 62   and name HE% )
      3.300     1.300     1.300 peak  2365 weight  0.10000E+01 volume  0.77873E-03 ppm1      2.836 ppm2      6.532 CV     1
 ASSI { 2367}
   (( segid "    " and resid 51   and name HB# ))
   (( segid "    " and resid 62   and name HZ  ))
      3.400     1.400     1.400 peak  2367 weight  0.10000E+01 volume  0.61593E-03 ppm1      2.660 ppm2      6.247 CV     1
 ASSI { 2372}
   (( segid "    " and resid 68   and name HE# ))
   (( segid "    " and resid 68   and name HG# ))
      2.800     1.000     1.000 peak  2372 weight  0.10000E+01 volume  0.20707E-02 ppm1      2.852 ppm2      1.376 CV     1
 ASSI { 2373}
   (( segid "    " and resid 51   and name HB# ))
   (  segid "    " and resid 35   and name HG# )
      2.800     1.000     1.000 peak  2373 weight  0.10000E+01 volume  0.20145E-02 ppm1      2.660 ppm2      0.853 CV     1
 ASSI { 2375}
   (( segid "    " and resid 51   and name HB# ))
   (  segid "    " and resid 53   and name HG# )
      2.600     0.900     0.900 peak  2375 weight  0.10000E+01 volume  0.28269E-02 ppm1      2.836 ppm2      0.572 CV     1
 ASSI { 2383}
   (( segid "    " and resid 49   and name HE# ))
   (  segid "    " and resid 7    and name HD% )
      3.500     1.500     1.500 peak  2383 weight  0.10000E+01 volume  0.53799E-03 ppm1      3.243 ppm2      7.065 CV     1
 ASSI { 2388}
   (( segid "    " and resid 76   and name HB# ))
   (( segid "    " and resid 72   and name HB# ))
      2.300     0.700     0.700 peak  2388 weight  0.10000E+01 volume  0.64013E-02 ppm1      2.847 ppm2      1.705 CV     1
 ASSI { 2389}
   (( segid "    " and resid 76   and name HB# ))
   (( segid "    " and resid 72   and name HB# ))
      2.400     0.700     0.700 peak  2389 weight  0.10000E+01 volume  0.51897E-02 ppm1      2.762 ppm2      1.701 CV     1
 OR { 2389}
   (( segid "    " and resid 76   and name HB# ))
   (( segid "    " and resid 72   and name HG  ))
 ASSI { 2401}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 48   and name HB# ))
      3.200     1.200     1.200 peak  2401 weight  0.10000E+01 volume  0.97081E-03 ppm1      2.561 ppm2      1.659 CV     1
 ASSI { 2405}
   (( segid "    " and resid 48   and name HE# ))
   (  segid "    " and resid 51   and name HE% )
      2.800     1.000     1.000 peak  2405 weight  0.10000E+01 volume  0.20444E-02 ppm1      2.660 ppm2      6.613 CV     1
 ASSI { 2406}
   (( segid "    " and resid 48   and name HE# ))
   (  segid "    " and resid 51   and name HE% )
      2.700     0.900     0.900 peak  2406 weight  0.10000E+01 volume  0.22441E-02 ppm1      2.562 ppm2      6.627 CV     1
 ASSI { 2407}
   (( segid "    " and resid 48   and name HE# ))
   (  segid "    " and resid 51   and name HD% )
      2.700     0.900     0.900 peak  2407 weight  0.10000E+01 volume  0.26233E-02 ppm1      2.665 ppm2      7.065 CV     1
 ASSI { 2413}
   (( segid "    " and resid 15   and name HE# ))
   (( segid "    " and resid 12   and name HG# ))
      2.900     1.100     1.100 peak  2413 weight  0.10000E+01 volume  0.14818E-02 ppm1      3.034 ppm2      2.124 CV     1
 ASSI { 2416}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 26   and name HG# ))
      2.400     0.700     0.700 peak  2416 weight  0.10000E+01 volume  0.45107E-02 ppm1      2.811 ppm2      0.926 CV     1
 ASSI { 2422}
   (( segid "    " and resid 26   and name HE# ))
   (  segid "    " and resid 27   and name HE% )
      2.400     0.700     0.700 peak  2422 weight  0.10000E+01 volume  0.47849E-02 ppm1      2.810 ppm2      6.732 CV     1
 ASSI { 2425}
   (( segid "    " and resid 80   and name HB# ))
   (  segid "    " and resid 80   and name HD% )
      2.500     0.800     0.800 peak  2425 weight  0.10000E+01 volume  0.35763E-02 ppm1      2.934 ppm2      6.790 CV     1
 ASSI { 2441}
   (( segid "    " and resid 25   and name HE# ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak  2441 weight  0.10000E+01 volume  0.16640E-02 ppm1      2.906 ppm2      3.977 CV     1
 ASSI { 2442}
   (( segid "    " and resid 68   and name HE# ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak  2442 weight  0.10000E+01 volume  0.18249E-02 ppm1      2.905 ppm2      4.036 CV     1
 ASSI { 2444}
   (( segid "    " and resid 24   and name HD# ))
   (  segid "    " and resid 31   and name HG# )
      3.400     1.500     1.500 peak  2444 weight  0.10000E+01 volume  0.60713E-03 ppm1      2.795 ppm2      0.394 CV     1
 ASSI { 2445}
   (( segid "    " and resid 24   and name HD# ))
   (  segid "    " and resid 31   and name HG# )
      3.400     1.400     1.400 peak  2445 weight  0.10000E+01 volume  0.65113E-03 ppm1      3.254 ppm2      0.381 CV     1
 ASSI { 2446}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 32   and name HG# ))
      3.100     1.200     1.200 peak  2446 weight  0.10000E+01 volume  0.11320E-02 ppm1      3.248 ppm2      1.441 CV     1
 ASSI { 2448}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 50   and name HD# ))
      1.800     0.400     0.400 peak  2448 weight  0.10000E+01 volume  0.26800E-01 ppm1      2.789 ppm2      1.638 CV     1
 ASSI { 2458}
   (( segid "    " and resid 113  and name HB# ))
   (  segid "    " and resid 43   and name HG# )
      2.400     0.700     0.700 peak  2458 weight  0.10000E+01 volume  0.50429E-02 ppm1      3.078 ppm2      1.118 CV     1
 OR { 2458}
   (( segid "    " and resid 113  and name HB# ))
   (  segid "    " and resid 43   and name HD# )
 ASSI { 2460}
   (( segid "    " and resid 104  and name HB# ))
   (( segid "    " and resid 106  and name HB# ))
      2.600     0.900     0.900 peak  2460 weight  0.10000E+01 volume  0.29799E-02 ppm1      3.078 ppm2      2.044 CV     1
 ASSI { 2467}
   (( segid "    " and resid 7    and name HB# ))
   (  segid "    " and resid 7    and name HE% )
      3.300     1.300     1.300 peak  2467 weight  0.10000E+01 volume  0.77381E-03 ppm1      3.521 ppm2      6.173 CV     1
 ASSI { 2474}
   (( segid "    " and resid 106  and name HB# ))
   (  segid "    " and resid 106  and name HD% )
      3.900     1.900     1.900 peak  2474 weight  0.10000E+01 volume  0.25355E-03 ppm1      3.117 ppm2      6.866 CV     1
 ASSI { 2475}
   (( segid "    " and resid 104  and name HB# ))
   (  segid "    " and resid 13   and name HD% )
      2.800     1.000     1.000 peak  2475 weight  0.10000E+01 volume  0.18701E-02 ppm1      3.108 ppm2      7.312 CV     1
 ASSI { 2476}
   (( segid "    " and resid 29   and name HB# ))
   (( segid "    " and resid 28   and name HB# ))
      3.300     1.300     1.300 peak  2476 weight  0.10000E+01 volume  0.78995E-03 ppm1      2.844 ppm2      1.935 CV     1
 OR { 2476}
   (( segid "    " and resid 29   and name HB# ))
   (( segid "    " and resid 28   and name HG# ))
 ASSI { 2487}
   (( segid "    " and resid 50   and name HE# ))
   (  segid "    " and resid 106  and name HE% )
      2.700     0.900     0.900 peak  2487 weight  0.10000E+01 volume  0.25339E-02 ppm1      2.772 ppm2      7.194 CV     1
 ASSI { 2488}
   (( segid "    " and resid 50   and name HE# ))
   (  segid "    " and resid 34   and name HD# )
      2.500     0.800     0.800 peak  2488 weight  0.10000E+01 volume  0.34768E-02 ppm1      2.770 ppm2     -0.562 CV     1
 ASSI { 2489}
   (( segid "    " and resid 50   and name HE# ))
   (  segid "    " and resid 23   and name HD# )
      2.900     1.100     1.100 peak  2489 weight  0.10000E+01 volume  0.15569E-02 ppm1      2.778 ppm2      0.863 CV     1
 ASSI { 2490}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 50   and name HG# ))
      2.400     0.700     0.700 peak  2490 weight  0.10000E+01 volume  0.45001E-02 ppm1      2.775 ppm2      1.005 CV     1
 ASSI { 2491}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 50   and name HB# ))
      2.200     0.600     0.600 peak  2491 weight  0.10000E+01 volume  0.91336E-02 ppm1      2.775 ppm2      1.240 CV     1
 ASSI { 2493}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.300     1.300 peak  2493 weight  0.10000E+01 volume  0.80866E-03 ppm1      2.773 ppm2      5.122 CV     1
 ASSI { 2494}
   (( segid "    " and resid 50   and name HE# ))
   (  segid "    " and resid 7    and name HE% )
      2.900     1.100     1.100 peak  2494 weight  0.10000E+01 volume  0.16016E-02 ppm1      2.775 ppm2      6.173 CV     1
 ASSI { 2498}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 92   and name HB  ))
      3.200     1.300     1.300 peak  2498 weight  0.10000E+01 volume  0.82577E-03 ppm1      2.786 ppm2      4.899 CV     1
 OR { 2498}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 92   and name HA  ))
 ASSI { 2506}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 49   and name HD# ))
      3.200     1.300     1.300 peak  2506 weight  0.10000E+01 volume  0.95261E-03 ppm1      2.631 ppm2      2.037 CV     1
 ASSI { 2509}
   (( segid "    " and resid 5    and name HB# ))
   (  segid "    " and resid 5    and name HE% )
      3.200     1.300     1.300 peak  2509 weight  0.10000E+01 volume  0.81095E-03 ppm1      2.616 ppm2      7.409 CV     1
 ASSI { 2512}
   (( segid "    " and resid 104  and name HB# ))
   (  segid "    " and resid 13   and name HD% )
      3.000     1.100     1.100 peak  2512 weight  0.10000E+01 volume  0.13839E-02 ppm1      2.440 ppm2      7.287 CV     1
 OR { 2512}
   (( segid "    " and resid 104  and name HB# ))
   (( segid "    " and resid 13   and name HZ  ))
 ASSI { 2516}
   (( segid "    " and resid 8    and name HG# ))
   (( segid "    " and resid 8    and name HB# ))
      2.700     0.900     0.900 peak  2516 weight  0.10000E+01 volume  0.25528E-02 ppm1      2.286 ppm2      1.557 CV     1
 ASSI { 2517}
   (( segid "    " and resid 8    and name HG# ))
   (( segid "    " and resid 8    and name HB# ))
      2.600     0.800     0.800 peak  2517 weight  0.10000E+01 volume  0.33554E-02 ppm1      2.290 ppm2      1.440 CV     1
 ASSI { 2518}
   (( segid "    " and resid 8    and name HG# ))
   (  segid "    " and resid 5    and name HD% )
      3.300     1.400     1.400 peak  2518 weight  0.10000E+01 volume  0.67828E-03 ppm1      2.289 ppm2      7.220 CV     1
 ASSI { 2521}
   (( segid "    " and resid 8    and name HD# ))
   (  segid "    " and resid 5    and name HD% )
      3.300     1.300     1.300 peak  2521 weight  0.10000E+01 volume  0.76910E-03 ppm1      2.162 ppm2      7.212 CV     1
 ASSI { 2522}
   (( segid "    " and resid 13   and name HB# ))
   (  segid "    " and resid 13   and name HD% )
      2.200     0.600     0.600 peak  2522 weight  0.10000E+01 volume  0.75054E-02 ppm1      2.987 ppm2      7.302 CV     1
 ASSI { 2541}
   (( segid "    " and resid 62   and name HB# ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak  2541 weight  0.10000E+01 volume  0.13453E-02 ppm1      3.141 ppm2      9.118 CV     1
 ASSI { 2548}
   (( segid "    " and resid 97   and name HB# ))
   (( segid "    " and resid 94   and name HA# ))
      2.500     0.800     0.800 peak  2548 weight  0.10000E+01 volume  0.36267E-02 ppm1      3.303 ppm2      3.714 CV     1
 ASSI { 2553}
   (( segid "    " and resid 97   and name HB# ))
   (( segid "    " and resid 31   and name HB  ))
      3.300     1.300     1.300 peak  2553 weight  0.10000E+01 volume  0.78691E-03 ppm1      3.314 ppm2      1.381 CV     1
 ASSI { 2559}
   (( segid "    " and resid 36   and name HG# ))
   (  segid "    " and resid 34   and name HG# )
      2.600     0.900     0.900 peak  2559 weight  0.10000E+01 volume  0.29284E-02 ppm1      2.605 ppm2      0.649 CV     1
 ASSI { 2560}
   (( segid "    " and resid 36   and name HG# ))
   (( segid "    " and resid 49   and name HG# ))
      3.500     1.500     1.500 peak  2560 weight  0.10000E+01 volume  0.52102E-03 ppm1      2.608 ppm2      1.605 CV     1
 ASSI { 2563}
   (( segid "    " and resid 36   and name HG# ))
   (( segid "    " and resid 36   and name HB# ))
      2.300     0.600     0.600 peak  2563 weight  0.10000E+01 volume  0.68575E-02 ppm1      2.608 ppm2      2.279 CV     1
 ASSI { 2566}
   (( segid "    " and resid 36   and name HG# ))
   (  segid "    " and resid 5    and name HD% )
      2.600     0.800     0.800 peak  2566 weight  0.10000E+01 volume  0.33409E-02 ppm1      2.605 ppm2      7.208 CV     1
 ASSI { 2571}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.600     1.600 peak  2571 weight  0.10000E+01 volume  0.13429E-02 ppm1      3.289 ppm2      3.929 CV     1
 ASSI { 2583}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HB# ))
      2.400     0.700     0.700 peak  2583 weight  0.10000E+01 volume  0.51403E-02 ppm1      2.902 ppm2      1.427 CV     1
 ASSI { 2587}
   (( segid "    " and resid 108  and name HB# ))
   (( segid "    " and resid 108  and name HA  ))
      2.600     0.900     0.900 peak  2587 weight  0.10000E+01 volume  0.29215E-02 ppm1      2.205 ppm2      4.670 CV     1
 ASSI { 2588}
   (( segid "    " and resid 108  and name HB# ))
   (  segid "    " and resid 108  and name HD% )
      2.500     0.800     0.800 peak  2588 weight  0.10000E+01 volume  0.36244E-02 ppm1      2.210 ppm2      6.332 CV     1
 ASSI { 2590}
   (( segid "    " and resid 108  and name HB# ))
   (( segid "    " and resid 109  and name HN  ))
      3.400     1.500     1.500 peak  2590 weight  0.10000E+01 volume  0.60049E-03 ppm1      2.210 ppm2      9.382 CV     1
 ASSI { 2595}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HB# ))
      2.400     0.700     0.700 peak  2595 weight  0.10000E+01 volume  0.48455E-02 ppm1      2.653 ppm2      1.413 CV     1
 ASSI { 2615}
   (( segid "    " and resid 63   and name HB# ))
   (( segid "    " and resid 63   and name HA  ))
      2.400     0.700     0.700 peak  2615 weight  0.10000E+01 volume  0.54975E-02 ppm1      2.733 ppm2      3.941 CV     1
 ASSI { 2618}
   (( segid "    " and resid 117  and name HB# ))
   (  segid "    " and resid 117  and name HD% )
      2.100     0.500     0.500 peak  2618 weight  0.10000E+01 volume  0.12413E-01 ppm1      2.522 ppm2      6.593 CV     1
 ASSI { 2620}
   (( segid "    " and resid 102  and name HG# ))
   (( segid "    " and resid 102  and name HB# ))
      2.200     0.600     0.600 peak  2620 weight  0.10000E+01 volume  0.83844E-02 ppm1      2.436 ppm2      2.710 CV     1
 ASSI { 2626}
   (( segid "    " and resid 102  and name HG# ))
   (  segid "    " and resid 108  and name HD% )
      2.900     1.100     1.100 peak  2626 weight  0.10000E+01 volume  0.14998E-02 ppm1      2.436 ppm2      6.328 CV     1
 ASSI { 2649}
   (( segid "    " and resid 36   and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      2.700     0.900     0.900 peak  2649 weight  0.10000E+01 volume  0.22962E-02 ppm1      2.293 ppm2      7.213 CV     1
 ASSI { 2651}
   (( segid "    " and resid 114  and name HG# ))
   (  segid "    " and resid 116  and name HG# )
      3.500     1.500     1.500 peak  2651 weight  0.10000E+01 volume  0.50059E-03 ppm1      2.210 ppm2      0.767 CV     1
 ASSI { 2652}
   (( segid "    " and resid 114  and name HG# ))
   (  segid "    " and resid 116  and name HG# )
      3.200     1.300     1.300 peak  2652 weight  0.10000E+01 volume  0.83831E-03 ppm1      2.305 ppm2      0.775 CV     1
 ASSI { 2653}
   (( segid "    " and resid 114  and name HG# ))
   (( segid "    " and resid 114  and name HA  ))
      2.300     0.700     0.700 peak  2653 weight  0.10000E+01 volume  0.63374E-02 ppm1      2.204 ppm2      4.638 CV     1
 ASSI { 2660}
   (( segid "    " and resid 19   and name HG# ))
   (  segid "    " and resid 23   and name HD# )
      2.600     0.800     0.800 peak  2660 weight  0.10000E+01 volume  0.31214E-02 ppm1      2.466 ppm2      0.879 CV     1
 ASSI { 2662}
   (( segid "    " and resid 61   and name HG# ))
   (( segid "    " and resid 64   and name HB# ))
      3.400     1.400     1.400 peak  2662 weight  0.10000E+01 volume  0.62736E-03 ppm1      2.496 ppm2      3.173 CV     1
 ASSI { 2666}
   (( segid "    " and resid 61   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      2.600     0.800     0.800 peak  2666 weight  0.10000E+01 volume  0.34572E-02 ppm1      2.487 ppm2      0.998 CV     1
 ASSI { 2668}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 24   and name HG# ))
      2.600     0.800     0.800 peak  2668 weight  0.10000E+01 volume  0.33165E-02 ppm1      2.945 ppm2      1.627 CV     1
 ASSI { 2669}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 24   and name HG# ))
      2.900     1.000     1.000 peak  2669 weight  0.10000E+01 volume  0.16380E-02 ppm1      3.480 ppm2      1.631 CV     1
 ASSI { 2678}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 20   and name HA# ))
      2.600     0.800     0.800 peak  2678 weight  0.10000E+01 volume  0.32680E-02 ppm1      2.942 ppm2      4.076 CV     1
 ASSI { 2682}
   (( segid "    " and resid 95   and name HG# ))
   (  segid "    " and resid 92   and name HG# )
      3.100     1.200     1.200 peak  2682 weight  0.10000E+01 volume  0.99969E-03 ppm1      2.487 ppm2      1.214 CV     1
 ASSI { 2683}
   (( segid "    " and resid 95   and name HG# ))
   (  segid "    " and resid 91   and name HB% )
      3.200     1.300     1.300 peak  2683 weight  0.10000E+01 volume  0.18125E-02 ppm1      2.490 ppm2      1.504 CV     1
 ASSI { 2691}
   (( segid "    " and resid 98   and name HG# ))
   (  segid "    " and resid 97   and name HD% )
      2.800     1.000     1.000 peak  2691 weight  0.10000E+01 volume  0.18246E-02 ppm1      2.582 ppm2      6.948 CV     1
 ASSI { 2719}
   (( segid "    " and resid 93   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      2.600     0.900     0.900 peak  2719 weight  0.10000E+01 volume  0.29906E-02 ppm1      2.385 ppm2      0.975 CV     1
 ASSI { 2728}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 40   and name HA  ))
      3.500     1.600     1.600 peak  2728 weight  0.10000E+01 volume  0.49726E-03 ppm1      2.317 ppm2      4.024 CV     1
 ASSI { 2730}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 28   and name HA  ))
      2.000     0.500     0.500 peak  2730 weight  0.10000E+01 volume  0.13919E-01 ppm1      2.317 ppm2      4.436 CV     1
 ASSI { 2731}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 40   and name HG# ))
      3.000     1.100     1.100 peak  2731 weight  0.10000E+01 volume  0.12810E-02 ppm1      2.314 ppm2      1.293 CV     1
 ASSI { 2744}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 91   and name HB% )
      3.500     1.500     1.500 peak  2744 weight  0.10000E+01 volume  0.53654E-03 ppm1      2.403 ppm2      1.505 CV     1
 ASSI { 2746}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 59   and name HG# )
      2.100     0.500     0.500 peak  2746 weight  0.10000E+01 volume  0.12807E-01 ppm1      2.397 ppm2      0.958 CV     1
 ASSI { 2749}
   (( segid "    " and resid 102  and name HB# ))
   (( segid "    " and resid 102  and name HG# ))
      2.600     0.800     0.800 peak  2749 weight  0.10000E+01 volume  0.31754E-02 ppm1      2.717 ppm2      3.032 CV     1
 ASSI { 2751}
   (( segid "    " and resid 102  and name HB# ))
   (  segid "    " and resid 108  and name HD% )
      3.000     1.200     1.200 peak  2751 weight  0.10000E+01 volume  0.11965E-02 ppm1      2.724 ppm2      6.316 CV     1
 ASSI { 2752}
   (( segid "    " and resid 102  and name HB# ))
   (  segid "    " and resid 108  and name HE% )
      3.000     1.100     1.100 peak  2752 weight  0.10000E+01 volume  0.12402E-02 ppm1      2.719 ppm2      6.879 CV     1
 ASSI { 2757}
   (( segid "    " and resid 103  and name HB# ))
   (( segid "    " and resid 13   and name HZ  ))
      2.700     0.900     0.900 peak  2757 weight  0.10000E+01 volume  0.25280E-02 ppm1      2.368 ppm2      7.289 CV     1
 ASSI { 2760}
   (( segid "    " and resid 103  and name HB# ))
   (  segid "    " and resid 13   and name HE% )
      2.700     0.900     0.900 peak  2760 weight  0.10000E+01 volume  0.25900E-02 ppm1      2.183 ppm2      7.142 CV     1
 ASSI { 2763}
   (( segid "    " and resid 61   and name HB# ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak  2763 weight  0.10000E+01 volume  0.42839E-02 ppm1      2.552 ppm2      4.272 CV     1
 ASSI { 2780}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 32   and name HB# ))
      2.500     0.800     0.800 peak  2780 weight  0.10000E+01 volume  0.40565E-02 ppm1      2.528 ppm2      1.595 CV     1
 ASSI { 2786}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 23   and name HG# )
      2.800     1.000     1.000 peak  2786 weight  0.10000E+01 volume  0.20284E-02 ppm1      2.525 ppm2      0.872 CV     1
 OR { 2786}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 23   and name HD# )
 ASSI { 2788}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 32   and name HA  ))
      3.300     1.300     1.300 peak  2788 weight  0.10000E+01 volume  0.77541E-03 ppm1      2.531 ppm2      5.137 CV     1
 ASSI { 2790}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 97   and name HD% )
      3.100     1.200     1.200 peak  2790 weight  0.10000E+01 volume  0.10938E-02 ppm1      2.516 ppm2      6.963 CV     1
 ASSI { 2801}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HG# )
      2.100     0.500     0.500 peak  2801 weight  0.10000E+01 volume  0.12825E-01 ppm1      3.687 ppm2      0.968 CV     1
 ASSI { 2814}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 30   and name HA  ))
      3.300     1.400     1.400 peak  2814 weight  0.10000E+01 volume  0.74832E-03 ppm1      3.727 ppm2      4.895 CV     1
 ASSI { 2817}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 29   and name HB# ))
      4.900     2.900     1.100 peak  2817 weight  0.10000E+01 volume  0.73225E-04 ppm1      3.642 ppm2      2.657 CV     1
 ASSI { 2829}
   (( segid "    " and resid 115  and name HB# ))
   (  segid "    " and resid 86   and name HD# )
      2.600     0.800     0.800 peak  2829 weight  0.10000E+01 volume  0.31649E-02 ppm1      2.451 ppm2      0.818 CV     1
 ASSI { 2830}
   (( segid "    " and resid 115  and name HB# ))
   (  segid "    " and resid 79   and name HD% )
      3.500     1.500     1.500 peak  2830 weight  0.10000E+01 volume  0.54395E-03 ppm1      2.451 ppm2      6.916 CV     1
 ASSI { 2831}
   (( segid "    " and resid 115  and name HB# ))
   (  segid "    " and resid 79   and name HE% )
      2.600     0.800     0.800 peak  2831 weight  0.10000E+01 volume  0.33247E-02 ppm1      2.451 ppm2      7.218 CV     1
 ASSI { 2836}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 46   and name HD# )
      3.000     1.100     1.100 peak  2836 weight  0.10000E+01 volume  0.12728E-02 ppm1      3.433 ppm2      0.956 CV     1
 ASSI { 2843}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HE% )
      3.500     1.600     1.600 peak  2843 weight  0.10000E+01 volume  0.48930E-03 ppm1      3.945 ppm2      6.124 CV     1
 ASSI { 2845}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 59   and name HG# )
      3.500     1.500     1.500 peak  2845 weight  0.10000E+01 volume  0.55684E-03 ppm1      3.949 ppm2      0.840 CV     1
 ASSI { 2847}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 24   and name HG# ))
      3.100     1.200     1.200 peak  2847 weight  0.10000E+01 volume  0.98659E-03 ppm1      3.594 ppm2      1.613 CV     1
 ASSI { 2849}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 101  and name HB# ))
      3.000     1.100     1.100 peak  2849 weight  0.10000E+01 volume  0.14009E-02 ppm1      3.594 ppm2      2.268 CV     1
 ASSI { 2858}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 93   and name HB# ))
      2.800     1.000     1.000 peak  2858 weight  0.10000E+01 volume  0.18286E-02 ppm1      3.698 ppm2      1.392 CV     1
 ASSI { 2859}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 93   and name HB# ))
      2.600     0.900     0.900 peak  2859 weight  0.10000E+01 volume  0.27808E-02 ppm1      3.696 ppm2      1.962 CV     1
 ASSI { 2863}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 78   and name HD# )
      2.300     0.700     0.700 peak  2863 weight  0.10000E+01 volume  0.62585E-02 ppm1      3.397 ppm2      0.830 CV     1
 ASSI { 2864}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 70   and name HD# )
      2.300     0.700     0.700 peak  2864 weight  0.10000E+01 volume  0.58249E-02 ppm1      3.401 ppm2      0.458 CV     1
 ASSI { 2877}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HD# ))
      3.300     1.400     1.400 peak  2877 weight  0.10000E+01 volume  0.67523E-03 ppm1      3.770 ppm2      3.122 CV     1
 ASSI { 2891}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HE# ))
      3.200     1.300     1.300 peak  2891 weight  0.10000E+01 volume  0.92712E-03 ppm1      4.107 ppm2      2.946 CV     1
 ASSI { 2892}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB# ))
      2.300     0.600     0.600 peak  2892 weight  0.10000E+01 volume  0.70627E-02 ppm1      4.110 ppm2      1.938 CV     1
 ASSI { 2893}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HD# ))
      2.500     0.800     0.800 peak  2893 weight  0.10000E+01 volume  0.38080E-02 ppm1      4.110 ppm2      1.678 CV     1
 ASSI { 2894}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 23   and name HD# )
      3.200     1.300     1.300 peak  2894 weight  0.10000E+01 volume  0.85120E-03 ppm1      4.107 ppm2      0.876 CV     1
 ASSI { 2897}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HB# ))
      2.300     0.600     0.600 peak  2897 weight  0.10000E+01 volume  0.70638E-02 ppm1      3.175 ppm2      1.643 CV     1
 ASSI { 2898}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 105  and name HD% )
      3.000     1.100     1.100 peak  2898 weight  0.10000E+01 volume  0.13508E-02 ppm1      3.168 ppm2      7.106 CV     1
 ASSI { 2899}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 105  and name HE% )
      2.900     1.000     1.000 peak  2899 weight  0.10000E+01 volume  0.16400E-02 ppm1      3.175 ppm2      7.344 CV     1
 ASSI { 2900}
   (( segid "    " and resid 117  and name HA  ))
   (  segid "    " and resid 116  and name HG# )
      3.300     1.400     1.400 peak  2900 weight  0.10000E+01 volume  0.68937E-03 ppm1      3.658 ppm2      0.757 CV     1
 ASSI { 2905}
   (( segid "    " and resid 117  and name HA  ))
   (  segid "    " and resid 81   and name HE% )
      3.100     1.200     1.200 peak  2905 weight  0.10000E+01 volume  0.10065E-02 ppm1      3.666 ppm2      7.199 CV     1
 ASSI { 2912}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 64   and name HD% )
      2.800     1.000     1.000 peak  2912 weight  0.10000E+01 volume  0.17819E-02 ppm1      4.282 ppm2      7.337 CV     1
 ASSI { 2916}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HD# ))
      2.300     0.600     0.600 peak  2916 weight  0.10000E+01 volume  0.69557E-02 ppm1      4.017 ppm2      3.287 CV     1
 ASSI { 2917}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG# ))
      1.900     0.500     0.500 peak  2917 weight  0.10000E+01 volume  0.19519E-01 ppm1      4.006 ppm2      1.913 CV     1
 OR { 2917}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB# ))
 ASSI { 2920}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HG# ))
      2.100     0.500     0.500 peak  2920 weight  0.10000E+01 volume  0.11605E-01 ppm1      3.989 ppm2      1.588 CV     1
 ASSI { 2922}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG# ))
      2.300     0.700     0.700 peak  2922 weight  0.10000E+01 volume  0.66133E-02 ppm1      3.999 ppm2      1.336 CV     1
 ASSI { 2927}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG  ))
      2.000     0.500     0.500 peak  2927 weight  0.10000E+01 volume  0.17205E-01 ppm1      3.942 ppm2      1.793 CV     1
 OR { 2927}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB# ))
 ASSI { 2936}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD# ))
      2.600     0.800     0.800 peak  2936 weight  0.10000E+01 volume  0.33467E-02 ppm1      4.196 ppm2      1.777 CV     1
 ASSI { 2941}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HG# ))
      1.900     0.400     0.400 peak  2941 weight  0.10000E+01 volume  0.20913E-01 ppm1      4.086 ppm2      2.417 CV     1
 ASSI { 2960}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 107  and name HB# ))
      3.300     1.400     1.400 peak  2960 weight  0.10000E+01 volume  0.68833E-03 ppm1      4.265 ppm2      1.364 CV     1
 ASSI { 2961}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 107  and name HD# )
      2.200     0.600     0.600 peak  2961 weight  0.10000E+01 volume  0.94998E-02 ppm1      4.268 ppm2      0.882 CV     1
 ASSI { 2970}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG# ))
      2.100     0.600     0.600 peak  2970 weight  0.10000E+01 volume  0.10893E-01 ppm1      4.153 ppm2      2.281 CV     1
 ASSI { 2973}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB  ))
      2.500     0.800     0.800 peak  2973 weight  0.10000E+01 volume  0.42703E-02 ppm1      4.157 ppm2      1.395 CV     1
 ASSI { 2989}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB# ))
      2.000     0.500     0.500 peak  2989 weight  0.10000E+01 volume  0.21264E-01 ppm1      4.028 ppm2      1.829 CV     1
 ASSI { 2991}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG# ))
      2.100     0.500     0.500 peak  2991 weight  0.10000E+01 volume  0.11397E-01 ppm1      4.024 ppm2      1.286 CV     1
 ASSI { 2993}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG  ))
      2.000     0.500     0.500 peak  2993 weight  0.10000E+01 volume  0.16123E-01 ppm1      4.067 ppm2      1.466 CV     1
 OR { 2993}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB# ))
 ASSI { 2995}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 40   and name HB# ))
      2.200     0.600     0.600 peak  2995 weight  0.10000E+01 volume  0.84939E-02 ppm1      4.067 ppm2      1.826 CV     1
 ASSI { 2996}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 40   and name HD# ))
      2.400     0.700     0.700 peak  2996 weight  0.10000E+01 volume  0.54697E-02 ppm1      4.071 ppm2      1.594 CV     1
 ASSI { 2997}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 119  and name HD# )
      2.100     0.500     0.500 peak  2997 weight  0.10000E+01 volume  0.11913E-01 ppm1      4.071 ppm2      0.786 CV     1
 ASSI { 2998}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 40   and name HG# ))
      2.500     0.800     0.800 peak  2998 weight  0.10000E+01 volume  0.39077E-02 ppm1      4.064 ppm2      1.293 CV     1
 ASSI { 3008}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 31   and name HG# )
      3.200     1.300     1.300 peak  3008 weight  0.10000E+01 volume  0.92186E-03 ppm1      4.354 ppm2      0.396 CV     1
 ASSI { 3042}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HB% )
      1.800     0.400     0.400 peak  3042 weight  0.10000E+01 volume  0.29930E-01 ppm1      3.856 ppm2      1.388 CV     1
 ASSI { 3043}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 72   and name HB# ))
      3.500     1.600     1.600 peak  3043 weight  0.10000E+01 volume  0.48361E-03 ppm1      3.861 ppm2      1.672 CV     1
 ASSI { 3045}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 67   and name HD# ))
      2.800     1.000     1.000 peak  3045 weight  0.10000E+01 volume  0.33349E-02 ppm1      3.857 ppm2      2.817 CV     1
 ASSI { 3047}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HD# ))
      2.800     1.000     1.000 peak  3047 weight  0.10000E+01 volume  0.18393E-02 ppm1      4.365 ppm2      3.251 CV     1
 ASSI { 3050}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB# ))
      2.100     0.600     0.600 peak  3050 weight  0.10000E+01 volume  0.10286E-01 ppm1      4.364 ppm2      1.664 CV     1
 ASSI { 3051}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 74   and name HB% )
      3.200     1.100     1.100 peak  3051 weight  0.10000E+01 volume  0.25930E-02 ppm1      4.365 ppm2      1.376 CV     1
 ASSI { 3054}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 85   and name HG# )
      3.500     1.500     1.500 peak  3054 weight  0.10000E+01 volume  0.17165E-02 ppm1      4.322 ppm2      0.982 CV     1
 ASSI { 3057}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB# ))
      2.000     0.500     0.500 peak  3057 weight  0.10000E+01 volume  0.13888E-01 ppm1      4.322 ppm2      3.014 CV     1
 ASSI { 3062}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB# ))
      2.400     0.700     0.700 peak  3062 weight  0.10000E+01 volume  0.47439E-02 ppm1      4.135 ppm2      2.417 CV     1
 ASSI { 3065}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HD% )
      3.000     1.100     1.100 peak  3065 weight  0.10000E+01 volume  0.12648E-02 ppm1      4.137 ppm2      7.090 CV     1
 ASSI { 3066}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 13   and name HD% )
      2.800     0.900     0.900 peak  3066 weight  0.10000E+01 volume  0.22027E-02 ppm1      4.132 ppm2      7.298 CV     1
 ASSI { 3070}
   (( segid "    " and resid 54   and name HD# ))
   (  segid "    " and resid 57   and name HD# )
      2.600     0.800     0.800 peak  3070 weight  0.10000E+01 volume  0.33709E-02 ppm1      3.562 ppm2      0.865 CV     1
 ASSI { 3071}
   (( segid "    " and resid 54   and name HD# ))
   (  segid "    " and resid 57   and name HD# )
      2.600     0.800     0.800 peak  3071 weight  0.10000E+01 volume  0.31429E-02 ppm1      3.999 ppm2      0.875 CV     1
 ASSI { 3103}
   (( segid "    " and resid 88   and name HD# ))
   (  segid "    " and resid 96   and name HD# )
      2.700     0.900     0.900 peak  3103 weight  0.20000E+01 volume  0.24175E-02 ppm1      3.583 ppm2      0.901 CV     1
 ASSI { 3104}
   (( segid "    " and resid 88   and name HD# ))
   (  segid "    " and resid 96   and name HD# )
      2.600     0.900     0.900 peak  3104 weight  0.10000E+01 volume  0.29222E-02 ppm1      3.970 ppm2      0.891 CV     1
 ASSI { 3108}
   (( segid "    " and resid 88   and name HD# ))
   (( segid "    " and resid 87   and name HB# ))
      2.600     0.800     0.800 peak  3108 weight  0.10000E+01 volume  0.32781E-02 ppm1      3.580 ppm2      2.021 CV     1
 ASSI { 3113}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 117  and name HE% )
      2.700     0.900     0.900 peak  3113 weight  0.10000E+01 volume  0.25094E-02 ppm1      4.411 ppm2      6.590 CV     1
 ASSI { 3130}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 23   and name HG# )
      3.700     1.700     1.700 peak  3130 weight  0.10000E+01 volume  0.36862E-03 ppm1      3.336 ppm2      0.865 CV     1
 OR { 3130}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 23   and name HD# )
 ASSI { 3140}
   (( segid "    " and resid 39   and name HD# ))
   (  segid "    " and resid 117  and name HE% )
      3.000     1.100     1.100 peak  3140 weight  0.10000E+01 volume  0.12696E-02 ppm1      3.852 ppm2      6.589 CV     1
 ASSI { 3145}
   (( segid "    " and resid 87   and name HD# ))
   (  segid "    " and resid 82   and name HG# )
      2.700     0.900     0.900 peak  3145 weight  0.10000E+01 volume  0.26367E-02 ppm1      3.948 ppm2      0.834 CV     1
 ASSI { 3150}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 87   and name HG# ))
      2.400     0.700     0.700 peak  3150 weight  0.10000E+01 volume  0.45622E-02 ppm1      3.951 ppm2      2.157 CV     1
 OR { 3150}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 87   and name HB# ))
 ASSI { 3159}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 28   and name HG# ))
      2.000     0.500     0.500 peak  3159 weight  0.10000E+01 volume  0.15837E-01 ppm1      3.282 ppm2      1.906 CV     1
 ASSI { 3164}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 27   and name HB# ))
      3.800     1.800     1.800 peak  3164 weight  0.10000E+01 volume  0.30592E-03 ppm1      3.293 ppm2      2.657 CV     1
 ASSI { 3165}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 27   and name HB# ))
      3.400     1.500     1.500 peak  3165 weight  0.10000E+01 volume  0.60464E-03 ppm1      3.289 ppm2      2.911 CV     1
 ASSI { 3173}
   (( segid "    " and resid 28   and name HD# ))
   (  segid "    " and resid 27   and name HD% )
      3.200     1.300     1.300 peak  3173 weight  0.10000E+01 volume  0.90343E-03 ppm1      3.286 ppm2      7.164 CV     1
 ASSI { 3185}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB# ))
      2.400     0.700     0.700 peak  3185 weight  0.10000E+01 volume  0.48515E-02 ppm1      6.023 ppm2      2.790 CV     1
 ASSI { 3200}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB# ))
      2.300     0.700     0.700 peak  3200 weight  0.10000E+01 volume  0.58158E-02 ppm1      5.117 ppm2      1.621 CV     1
 ASSI { 3203}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 34   and name HG# )
      3.100     1.200     1.200 peak  3203 weight  0.10000E+01 volume  0.10455E-02 ppm1      5.119 ppm2      0.635 CV     1
 ASSI { 3212}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB# ))
      2.500     0.800     0.800 peak  3212 weight  0.10000E+01 volume  0.43903E-02 ppm1      5.088 ppm2      2.783 CV     1
 ASSI { 3218}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 86   and name HG1#))
      2.700     0.900     0.900 peak  3218 weight  0.10000E+01 volume  0.23830E-02 ppm1      5.083 ppm2      0.823 CV     1
 ASSI { 3220}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 51   and name HE% )
      2.400     0.700     0.700 peak  3220 weight  0.10000E+01 volume  0.46959E-02 ppm1      5.040 ppm2      6.627 CV     1
 ASSI { 3230}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 85   and name HG# )
      3.600     1.600     1.600 peak  3230 weight  0.10000E+01 volume  0.41690E-03 ppm1      5.203 ppm2      0.970 CV     1
 ASSI { 3233}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
      3.000     1.100     1.100 peak  3233 weight  0.10000E+01 volume  0.12426E-02 ppm1      5.740 ppm2      6.510 CV     1
 ASSI { 3235}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 33   and name HG# )
      3.100     1.200     1.200 peak  3235 weight  0.10000E+01 volume  0.10474E-02 ppm1      5.745 ppm2      0.628 CV     1
 ASSI { 3242}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 24   and name HB# ))
      3.300     1.300     1.300 peak  3242 weight  0.10000E+01 volume  0.78046E-03 ppm1      4.448 ppm2      1.610 CV     1
 OR { 3242}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 24   and name HG# ))
 ASSI { 3248}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB# ))
      2.700     0.900     0.900 peak  3248 weight  0.10000E+01 volume  0.25730E-02 ppm1      4.254 ppm2      1.498 CV     1
 ASSI { 3257}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 33   and name HG# )
      3.800     1.800     1.800 peak  3257 weight  0.10000E+01 volume  0.30003E-03 ppm1      4.707 ppm2      0.614 CV     1
 ASSI { 3261}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 79   and name HE% )
      3.000     1.100     1.100 peak  3261 weight  0.10000E+01 volume  0.14043E-02 ppm1      4.022 ppm2      7.226 CV     1
 ASSI { 3263}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 97   and name HD% )
      3.000     1.100     1.100 peak  3263 weight  0.10000E+01 volume  0.13629E-02 ppm1      4.707 ppm2      6.961 CV     1
 ASSI { 3265}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 117  and name HD% )
      3.800     1.800     1.800 peak  3265 weight  0.10000E+01 volume  0.33550E-03 ppm1      4.036 ppm2      6.592 CV     1
 ASSI { 3266}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HZ  ))
      3.900     1.900     1.900 peak  3266 weight  0.10000E+01 volume  0.26345E-03 ppm1      4.465 ppm2      6.266 CV     1
 ASSI { 3280}
   (( segid "    " and resid 5    and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      2.400     0.700     0.700 peak  3280 weight  0.10000E+01 volume  0.55277E-02 ppm1      3.061 ppm2      7.217 CV     1
 ASSI { 3297}
   (( segid "    " and resid 117  and name HB# ))
   (  segid "    " and resid 81   and name HE% )
      3.300     1.400     1.400 peak  3297 weight  0.10000E+01 volume  0.70987E-03 ppm1      2.521 ppm2      7.175 CV     1
 ASSI { 3304}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 108  and name HA  ))
      3.600     1.700     1.700 peak  3304 weight  0.10000E+01 volume  0.41441E-03 ppm1      5.115 ppm2      4.668 CV     1
 ASSI { 3311}
   (( segid "    " and resid 22   and name HE# ))
   (( segid "    " and resid 22   and name HG# ))
      2.300     0.700     0.700 peak  3311 weight  0.10000E+01 volume  0.61432E-02 ppm1      2.938 ppm2      1.371 CV     1
 ASSI { 3314}
   (  segid "    " and resid 74   and name HB% )
   (  segid "    " and resid 64   and name HD% )
      3.800     1.800     1.800 peak  3314 weight  0.10000E+01 volume  0.31894E-03 ppm1      1.391 ppm2      7.339 CV     1
 ASSI { 3317}
   (( segid "    " and resid 113  and name HB# ))
   (( segid "    " and resid 43   and name HN  ))
      4.300     2.300     1.700 peak  3317 weight  0.10000E+01 volume  0.15912E-03 ppm1      2.716 ppm2      6.900 CV     1
 ASSI { 3332}
   (( segid "    " and resid 102  and name HG# ))
   (( segid "    " and resid 101  and name HD# ))
      4.000     2.000     2.000 peak  3332 weight  0.10000E+01 volume  0.24351E-03 ppm1      2.437 ppm2      6.938 CV     1
 ASSI { 3333}
   (( segid "    " and resid 49   and name HD# ))
   (( segid "    " and resid 50   and name HA  ))
      3.700     1.800     1.800 peak  3333 weight  0.10000E+01 volume  0.34665E-03 ppm1      2.022 ppm2      5.087 CV     1
 ASSI { 3334}
   (( segid "    " and resid 67   and name HG# ))
   (  segid "    " and resid 70   and name HD# )
      3.400     1.500     1.500 peak  3334 weight  0.10000E+01 volume  0.58282E-03 ppm1      1.161 ppm2      0.437 CV     1
 ASSI { 3335}
   (( segid "    " and resid 14   and name HB# ))
   (  segid "    " and resid 13   and name HD% )
      3.600     1.600     1.600 peak  3335 weight  0.10000E+01 volume  0.44018E-03 ppm1      2.074 ppm2      7.292 CV     1
 ASSI { 3340}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 119  and name HB# ))
      3.300     1.300     1.300 peak  3340 weight  0.10000E+01 volume  0.77817E-03 ppm1      0.754 ppm2      1.458 CV     1
 ASSI { 3371}
   (  segid "    " and resid 86   and name HG# )
   (  segid "    " and resid 63   and name HE% )
      6.000     4.500     0.000 peak  3371 weight  0.10000E+01 volume  0.21059E-04 ppm1      1.160 ppm2      6.127 CV     1
 ASSI { 3375}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 96   and name HD# )
      2.700     0.900     0.900 peak  3375 weight  0.10000E+01 volume  0.25715E-02 ppm1      4.855 ppm2      0.878 CV     1
 ASSI { 3382}
   (  segid "    " and resid 82   and name HG# )
   (  segid "    " and resid 80   and name HD% )
      4.900     3.000     1.100 peak  3382 weight  0.10000E+01 volume  0.70593E-04 ppm1      0.827 ppm2      6.786 CV     1
 ASSI { 3384}
   (( segid "    " and resid 26   and name HG# ))
   (( segid "    " and resid 26   and name HD# ))
      3.400     1.400     1.400 peak  3384 weight  0.10000E+01 volume  0.66304E-03 ppm1      0.959 ppm2      1.382 CV     1
 ASSI { 3389}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak  3389 weight  0.10000E+01 volume  0.43665E-03 ppm1      0.843 ppm2      4.468 CV     1
 ASSI { 3390}
   (  segid "    " and resid 66   and name HD# )
   (  segid "    " and resid 46   and name HD# )
      2.200     0.600     0.600 peak  3390 weight  0.10000E+01 volume  0.78241E-02 ppm1     -0.121 ppm2      0.963 CV     1
 ASSI { 3401}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 92   and name HB  ))
      2.000     0.500     0.500 peak  3401 weight  0.10000E+01 volume  0.16730E-01 ppm1      1.217 ppm2      4.887 CV     1
 OR { 3401}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 92   and name HA  ))
 ASSI { 3403}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 56   and name HA  ))
      2.200     0.600     0.600 peak  3403 weight  0.10000E+01 volume  0.90169E-02 ppm1      1.217 ppm2      4.519 CV     1
 ASSI { 3409}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 61   and name HG# ))
      3.100     1.200     1.200 peak  3409 weight  0.10000E+01 volume  0.10538E-02 ppm1      1.265 ppm2      2.499 CV     1
 ASSI { 3435}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HG  ))
      2.400     0.700     0.700 peak  3435 weight  0.10000E+01 volume  0.56345E-02 ppm1      1.013 ppm2      1.820 CV     1
 OR { 3435}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HB# ))
 ASSI { 3451}
   (( segid "    " and resid 80   and name HB# ))
   (  segid "    " and resid 86   and name HG# )
      5.600     3.900     0.400 peak  3451 weight  0.10000E+01 volume  0.31520E-04 ppm1      2.828 ppm2      1.153 CV     1
 ASSI { 3456}
   (( segid "    " and resid 68   and name HE# ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.200     1.200 peak  3456 weight  0.10000E+01 volume  0.12001E-02 ppm1      2.831 ppm2      3.953 CV     1
 ASSI { 3466}
   (( segid "    " and resid 87   and name HD# ))
   (  segid "    " and resid 96   and name HD# )
      3.400     1.400     1.400 peak  3466 weight  0.10000E+01 volume  0.62286E-03 ppm1      3.952 ppm2      0.909 CV     1
 ASSI { 3469}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 32   and name HD# ))
      3.300     1.300     1.300 peak  3469 weight  0.10000E+01 volume  0.78482E-03 ppm1      0.409 ppm2      3.371 CV     1
 ASSI { 3474}
   (( segid "    " and resid 4    and name HB# ))
   (( segid "    " and resid 3    and name HA  ))
      4.000     2.000     2.000 peak  3474 weight  0.10000E+01 volume  0.23034E-03 ppm1      1.683 ppm2      4.202 CV     1
 ASSI { 3480}
   (( segid "    " and resid 62   and name HB# ))
   (  segid "    " and resid 57   and name HD# )
      2.700     0.900     0.900 peak  3480 weight  0.10000E+01 volume  0.27453E-02 ppm1      3.273 ppm2      0.885 CV     1
 ASSI { 3490}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak  3490 weight  0.10000E+01 volume  0.31992E-03 ppm1      1.536 ppm2      5.112 CV     1
 ASSI { 3491}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HA  ))
      4.100     2.100     1.900 peak  3491 weight  0.10000E+01 volume  0.19030E-03 ppm1      1.615 ppm2      5.118 CV     1
 ASSI { 3492}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HE# ))
      2.400     0.700     0.700 peak  3492 weight  0.10000E+01 volume  0.54570E-02 ppm1      1.544 ppm2      2.773 CV     1
 ASSI { 3494}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HG# ))
      2.200     0.600     0.600 peak  3494 weight  0.10000E+01 volume  0.83512E-02 ppm1      1.541 ppm2      1.201 CV     1
 OR { 3494}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HB# ))
 ASSI { 3503}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 8    and name HG# ))
      4.600     2.700     1.400 peak  3503 weight  0.10000E+01 volume  0.98994E-04 ppm1      2.616 ppm2      2.291 CV     1
 ASSI { 3540}
   (( segid "    " and resid 9    and name HB# ))
   (( segid "    " and resid 10   and name HA  ))
      4.500     2.500     1.500 peak  3540 weight  0.10000E+01 volume  0.11486E-03 ppm1      2.134 ppm2      3.928 CV     1
 ASSI { 3545}
   (( segid "    " and resid 18   and name HB# ))
   (( segid "    " and resid 21   and name HB# ))
      3.900     1.900     1.900 peak  3545 weight  0.10000E+01 volume  0.29262E-03 ppm1      4.042 ppm2      1.888 CV     1
 ASSI { 3547}
   (( segid "    " and resid 18   and name HB# ))
   (( segid "    " and resid 15   and name HB# ))
      3.700     1.700     1.700 peak  3547 weight  0.10000E+01 volume  0.35330E-03 ppm1      3.994 ppm2      2.008 CV     1
 ASSI { 3549}
   (( segid "    " and resid 18   and name HB# ))
   (( segid "    " and resid 14   and name HB# ))
      4.800     2.900     1.200 peak  3549 weight  0.10000E+01 volume  0.78905E-04 ppm1      4.040 ppm2      2.089 CV     1
 ASSI { 3556}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HD# ))
      5.500     3.700     0.500 peak  3556 weight  0.10000E+01 volume  0.35885E-04 ppm1      3.755 ppm2      1.650 CV     1
 ASSI { 3560}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 30   and name HD# ))
      4.300     2.300     1.700 peak  3560 weight  0.10000E+01 volume  0.14894E-03 ppm1      4.864 ppm2      2.682 CV     1
 ASSI { 3565}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 27   and name HE% )
      4.300     2.300     1.700 peak  3565 weight  0.10000E+01 volume  0.15864E-03 ppm1      3.400 ppm2      6.722 CV     1
 ASSI { 3582}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 116  and name HB  ))
      2.000     0.500     0.500 peak  3582 weight  0.10000E+01 volume  0.17217E-01 ppm1      0.747 ppm2      1.805 CV     1
 ASSI { 3586}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 111  and name HD% )
      3.700     1.700     1.700 peak  3586 weight  0.10000E+01 volume  0.38892E-03 ppm1      2.054 ppm2      6.830 CV     1
 ASSI { 3590}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG# )
      2.100     0.500     0.500 peak  3590 weight  0.10000E+01 volume  0.11390E-01 ppm1      2.050 ppm2      0.822 CV     1
 ASSI { 3605}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 44   and name HA# ))
      3.200     1.300     1.300 peak  3605 weight  0.10000E+01 volume  0.84426E-03 ppm1      1.749 ppm2      4.089 CV     1
 ASSI { 3607}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 54   and name HA  ))
      4.600     2.600     1.400 peak  3607 weight  0.10000E+01 volume  0.10094E-03 ppm1      3.698 ppm2      4.501 CV     1
 ASSI { 3610}
   (( segid "    " and resid 83   and name HB# ))
   (  segid "    " and resid 82   and name HG# )
      4.400     2.400     1.600 peak  3610 weight  0.10000E+01 volume  0.12844E-03 ppm1      2.687 ppm2      0.819 CV     1
 ASSI { 3611}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 5    and name HA  ))
      3.800     1.800     1.800 peak  3611 weight  0.10000E+01 volume  0.29601E-03 ppm1      1.004 ppm2      4.725 CV     1
 ASSI { 3037}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB# ))
      2.400     0.700     0.700 peak  3037 weight  0.20000E+01 volume  0.56616E-02 ppm1      4.207 ppm2      1.858 CV     1
 ASSI { 1862}
   (( segid "    " and resid 3    and name HB# ))
   (( segid "    " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  1862 weight  0.20000E+01 volume  0.36093E-02 ppm1      1.740 ppm2      4.205 CV     1
 ASSI {  553}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 3    and name HA  ))
      3.200     1.300     1.300 peak   553 weight  0.20000E+01 volume  0.82813E-03 ppm1      1.641 ppm2      4.203 CV     1
 ASSI {  546}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 3    and name HB# ))
      2.100     0.600     0.600 peak   546 weight  0.20000E+01 volume  0.99099E-02 ppm1      1.642 ppm2      1.868 CV     1
 ASSI { 1787}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 3    and name HA  ))
      2.600     0.800     0.800 peak  1787 weight  0.20000E+01 volume  0.32704E-02 ppm1      2.163 ppm2      4.209 CV     1
 ASSI { 1859}
   (( segid "    " and resid 3    and name HB# ))
   (( segid "    " and resid 3    and name HG# ))
      2.400     0.700     0.700 peak  1859 weight  0.20000E+01 volume  0.49520E-02 ppm1      1.746 ppm2      2.153 CV     1
 ASSI {  547}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 3    and name HG# ))
      2.400     0.700     0.700 peak   547 weight  0.20000E+01 volume  0.47305E-02 ppm1      1.641 ppm2      2.154 CV     1
 ASSI { 3038}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG# ))
      2.100     0.600     0.600 peak  3038 weight  0.20000E+01 volume  0.11040E-01 ppm1      4.211 ppm2      1.733 CV     1
 ASSI { 1857}
   (( segid "    " and resid 3    and name HB# ))
   (( segid "    " and resid 3    and name HG# ))
      1.800     0.400     0.400 peak  1857 weight  0.20000E+01 volume  0.30293E-01 ppm1      1.875 ppm2      1.734 CV     1
 ASSI { 3268}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak  3268 weight  0.20000E+01 volume  0.13375E-02 ppm1      4.208 ppm2      4.527 CV     1
 ASSI { 3270}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG# ))
      6.000     4.600     0.000 peak  3270 weight  0.20000E+01 volume  0.19674E-04 ppm1      4.215 ppm2      1.213 CV     1
 ASSI { 3040}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG# ))
      3.600     1.600     1.600 peak  3040 weight  0.20000E+01 volume  0.42120E-03 ppm1      4.211 ppm2      1.417 CV     1
 ASSI { 1847}
   (( segid "    " and resid 4    and name HB# ))
   (( segid "    " and resid 4    and name HA  ))
      2.100     0.500     0.500 peak  1847 weight  0.20000E+01 volume  0.12728E-01 ppm1      1.675 ppm2      4.544 CV     1
 ASSI { 1082}
   (( segid "    " and resid 4    and name HG# ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak  1082 weight  0.20000E+01 volume  0.37468E-02 ppm1      1.229 ppm2      4.546 CV     1
 ASSI { 1844}
   (( segid "    " and resid 4    and name HB# ))
   (( segid "    " and resid 4    and name HG# ))
      2.200     0.600     0.600 peak  1844 weight  0.20000E+01 volume  0.82803E-02 ppm1      1.674 ppm2      1.239 CV     1
 ASSI {  290}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG# ))
      2.500     0.800     0.800 peak   290 weight  0.20000E+01 volume  0.38446E-02 ppm1      4.543 ppm2      1.400 CV     1
 ASSI { 1845}
   (( segid "    " and resid 4    and name HB# ))
   (( segid "    " and resid 4    and name HG# ))
      2.100     0.600     0.600 peak  1845 weight  0.20000E+01 volume  0.98200E-02 ppm1      1.669 ppm2      1.415 CV     1
 ASSI { 3289}
   (( segid "    " and resid 4    and name HD# ))
   (( segid "    " and resid 4    and name HG# ))
      1.800     0.400     0.400 peak  3289 weight  0.20000E+01 volume  0.30742E-01 ppm1      1.630 ppm2      1.408 CV     1
 ASSI {  556}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      4.200     2.200     1.800 peak   556 weight  0.20000E+01 volume  0.13228E-02 ppm1      1.641 ppm2      4.740 CV     1
 ASSI {  236}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB# ))
      2.400     0.700     0.700 peak   236 weight  0.20000E+01 volume  0.47961E-02 ppm1      4.739 ppm2      3.031 CV     1
 ASSI {  238}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB# ))
      2.700     0.900     0.900 peak   238 weight  0.20000E+01 volume  0.27470E-02 ppm1      4.741 ppm2      2.635 CV     1
 ASSI { 3318}
   (( segid "    " and resid 5    and name HB# ))
   (  segid "    " and resid 5    and name HE% )
      3.600     1.600     1.600 peak  3318 weight  0.20000E+01 volume  0.42965E-03 ppm1      3.064 ppm2      7.409 CV     1
 ASSI {  922}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.300     1.300 peak   922 weight  0.20000E+01 volume  0.83110E-03 ppm1      1.126 ppm2      4.744 CV     1
 ASSI { 2806}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak  2806 weight  0.20000E+01 volume  0.92695E-02 ppm1      3.716 ppm2      2.237 CV     1
 ASSI {  920}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 6    and name HB  ))
      1.800     0.400     0.400 peak   920 weight  0.20000E+01 volume  0.28996E-01 ppm1      1.130 ppm2      2.241 CV     1
 ASSI {  794}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 6    and name HA  ))
      2.100     0.500     0.500 peak   794 weight  0.20000E+01 volume  0.12513E-01 ppm1      1.001 ppm2      3.710 CV     1
 ASSI { 3352}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak  3352 weight  0.20000E+01 volume  0.26055E-03 ppm1      2.242 ppm2      4.356 CV     1
 ASSI {  796}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   796 weight  0.20000E+01 volume  0.12801E-02 ppm1      1.004 ppm2      4.347 CV     1
 ASSI {   78}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB# ))
      2.400     0.700     0.700 peak    78 weight  0.20000E+01 volume  0.48992E-02 ppm1      4.359 ppm2      3.521 CV     1
 ASSI { 2468}
   (( segid "    " and resid 7    and name HB# ))
   (  segid "    " and resid 7    and name HD% )
      2.600     0.900     0.900 peak  2468 weight  0.20000E+01 volume  0.28645E-02 ppm1      3.518 ppm2      7.149 CV     1
 ASSI { 1700}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 5    and name HB# ))
      3.100     1.200     1.200 peak  1700 weight  0.20000E+01 volume  0.10737E-02 ppm1      1.565 ppm2      2.627 CV     1
 ASSI { 2507}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 8    and name HB# ))
      2.700     0.900     0.900 peak  2507 weight  0.20000E+01 volume  0.24316E-02 ppm1      2.624 ppm2      1.431 CV     1
 ASSI { 2470}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     1.300     1.300 peak  2470 weight  0.20000E+01 volume  0.93585E-03 ppm1      3.518 ppm2      6.944 CV     1
 ASSI { 2519}
   (( segid "    " and resid 8    and name HD# ))
   (( segid "    " and resid 8    and name HB# ))
      3.200     1.300     1.300 peak  2519 weight  0.20000E+01 volume  0.83762E-03 ppm1      2.170 ppm2      1.556 CV     1
 ASSI { 2520}
   (( segid "    " and resid 8    and name HD# ))
   (( segid "    " and resid 8    and name HB# ))
      2.900     1.000     1.000 peak  2520 weight  0.20000E+01 volume  0.16837E-02 ppm1      2.176 ppm2      1.430 CV     1
 ASSI { 3504}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 9    and name HB# ))
      4.200     2.200     1.800 peak  3504 weight  0.20000E+01 volume  0.18040E-03 ppm1      2.618 ppm2      2.117 CV     1
 ASSI { 2809}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      3.600     1.400     1.400 peak  2809 weight  0.20000E+01 volume  0.90917E-03 ppm1      3.716 ppm2      4.156 CV     1
 ASSI { 3537}
   (( segid "    " and resid 9    and name HB# ))
   (  segid "    " and resid 6    and name HG# )
      3.300     1.400     1.400 peak  3537 weight  0.20000E+01 volume  0.75136E-03 ppm1      2.132 ppm2      0.996 CV     1
 ASSI { 2644}
   (( segid "    " and resid 9    and name HG# ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.100     1.100 peak  2644 weight  0.20000E+01 volume  0.15734E-02 ppm1      2.290 ppm2      3.718 CV     1
 ASSI { 3539}
   (( segid "    " and resid 9    and name HB# ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.700     0.700 peak  3539 weight  0.20000E+01 volume  0.63377E-02 ppm1      2.132 ppm2      4.149 CV     1
 ASSI { 3536}
   (( segid "    " and resid 9    and name HB# ))
   (( segid "    " and resid 9    and name HG# ))
      2.000     0.500     0.500 peak  3536 weight  0.20000E+01 volume  0.16671E-01 ppm1      2.133 ppm2      2.286 CV     1
 ASSI { 1729}
   (( segid "    " and resid 10   and name HB# ))
   (  segid "    " and resid 6    and name HG# )
      3.200     1.300     1.300 peak  1729 weight  0.20000E+01 volume  0.87011E-03 ppm1      1.711 ppm2      0.992 CV     1
 ASSI {  789}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 10   and name HB# ))
      3.800     1.800     1.800 peak   789 weight  0.20000E+01 volume  0.32234E-03 ppm1      1.005 ppm2      1.480 CV     1
 ASSI { 1991}
   (( segid "    " and resid 10   and name HG# ))
   (  segid "    " and resid 6    and name HG# )
      2.400     0.700     0.700 peak  1991 weight  0.20000E+01 volume  0.45276E-02 ppm1      2.211 ppm2      1.001 CV     1
 ASSI { 1990}
   (( segid "    " and resid 10   and name HG# ))
   (  segid "    " and resid 6    and name HG# )
      2.700     0.900     0.900 peak  1990 weight  0.20000E+01 volume  0.25405E-02 ppm1      1.864 ppm2      0.992 CV     1
 ASSI { 1723}
   (( segid "    " and resid 10   and name HB# ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak  1723 weight  0.20000E+01 volume  0.24793E-02 ppm1      1.715 ppm2      4.374 CV     1
 ASSI { 2981}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB# ))
      2.100     0.500     0.500 peak  2981 weight  0.20000E+01 volume  0.11240E-01 ppm1      3.938 ppm2      1.720 CV     1
 ASSI { 1708}
   (( segid "    " and resid 10   and name HB# ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak  1708 weight  0.20000E+01 volume  0.87898E-02 ppm1      1.479 ppm2      3.937 CV     1
 ASSI { 2979}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG# ))
      2.500     0.800     0.800 peak  2979 weight  0.20000E+01 volume  0.35748E-02 ppm1      3.938 ppm2      2.198 CV     1
 ASSI { 1995}
   (( segid "    " and resid 10   and name HG# ))
   (( segid "    " and resid 10   and name HB# ))
      2.300     0.600     0.600 peak  1995 weight  0.20000E+01 volume  0.71589E-02 ppm1      2.205 ppm2      1.717 CV     1
 ASSI { 1998}
   (( segid "    " and resid 10   and name HG# ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak  1998 weight  0.20000E+01 volume  0.73961E-02 ppm1      1.867 ppm2      3.933 CV     1
 ASSI { 1994}
   (( segid "    " and resid 10   and name HG# ))
   (( segid "    " and resid 10   and name HB# ))
      2.100     0.500     0.500 peak  1994 weight  0.20000E+01 volume  0.11602E-01 ppm1      1.870 ppm2      1.713 CV     1
 ASSI { 1705}
   (( segid "    " and resid 10   and name HB# ))
   (( segid "    " and resid 10   and name HG# ))
      2.000     0.500     0.500 peak  1705 weight  0.20000E+01 volume  0.15217E-01 ppm1      1.479 ppm2      1.842 CV     1
 ASSI { 1710}
   (( segid "    " and resid 10   and name HB# ))
   (( segid "    " and resid 11   and name HD# ))
      2.900     1.000     1.000 peak  1710 weight  0.20000E+01 volume  0.16585E-02 ppm1      1.487 ppm2      6.221 CV     1
 ASSI { 3315}
   (( segid "    " and resid 11   and name HB# ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.100     1.100 peak  3315 weight  0.20000E+01 volume  0.15966E-02 ppm1      2.533 ppm2      5.037 CV     1
 ASSI { 3092}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak  3092 weight  0.20000E+01 volume  0.22718E-02 ppm1      3.913 ppm2      5.027 CV     1
 ASSI { 3086}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.700     0.700 peak  3086 weight  0.20000E+01 volume  0.57363E-02 ppm1      3.719 ppm2      5.031 CV     1
 ASSI { 2702}
   (( segid "    " and resid 12   and name HB# ))
   (( segid "    " and resid 12   and name HA  ))
      1.900     0.500     0.500 peak  2702 weight  0.20000E+01 volume  0.19738E-01 ppm1      2.597 ppm2      4.611 CV     1
 ASSI { 3527}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 12   and name HA  ))
      5.400     3.700     0.600 peak  3527 weight  0.20000E+01 volume  0.36994E-04 ppm1      3.913 ppm2      4.615 CV     1
 ASSI { 3528}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 12   and name HB# ))
      4.700     2.800     1.300 peak  3528 weight  0.20000E+01 volume  0.85486E-04 ppm1      3.914 ppm2      2.587 CV     1
 ASSI { 3525}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 12   and name HA  ))
      4.500     2.600     1.500 peak  3525 weight  0.20000E+01 volume  0.10959E-03 ppm1      3.721 ppm2      4.614 CV     1
 ASSI { 2704}
   (( segid "    " and resid 12   and name HB# ))
   (( segid "    " and resid 12   and name HD# ))
      3.000     1.100     1.100 peak  2704 weight  0.20000E+01 volume  0.13408E-02 ppm1      2.597 ppm2      3.720 CV     1
 ASSI { 3529}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 12   and name HG# ))
      3.000     1.100     1.100 peak  3529 weight  0.20000E+01 volume  0.12939E-02 ppm1      3.913 ppm2      2.132 CV     1
 ASSI { 3095}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 12   and name HG# ))
      2.300     0.700     0.700 peak  3095 weight  0.20000E+01 volume  0.62330E-02 ppm1      3.730 ppm2      2.144 CV     1
 ASSI { 2703}
   (( segid "    " and resid 12   and name HB# ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak  2703 weight  0.20000E+01 volume  0.11238E-02 ppm1      2.597 ppm2      3.952 CV     1
 ASSI { 2525}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.700     0.700 peak  2525 weight  0.20000E+01 volume  0.60400E-02 ppm1      3.485 ppm2      3.965 CV     1
 ASSI { 2524}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.700     0.700 peak  2524 weight  0.20000E+01 volume  0.47011E-02 ppm1      2.984 ppm2      3.957 CV     1
 ASSI { 3338}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak  3338 weight  0.20000E+01 volume  0.47177E-03 ppm1      3.767 ppm2      3.963 CV     1
 ASSI { 2879}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 13   and name HD% )
      2.500     0.800     0.800 peak  2879 weight  0.20000E+01 volume  0.34812E-02 ppm1      3.766 ppm2      7.292 CV     1
 ASSI { 3336}
   (( segid "    " and resid 14   and name HB# ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak  3336 weight  0.20000E+01 volume  0.27168E-02 ppm1      2.070 ppm2      3.760 CV     1
 ASSI { 2876}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG# ))
      2.300     0.700     0.700 peak  2876 weight  0.20000E+01 volume  0.66033E-02 ppm1      3.766 ppm2      2.451 CV     1
 ASSI { 3337}
   (( segid "    " and resid 14   and name HB# ))
   (( segid "    " and resid 14   and name HG# ))
      2.100     0.600     0.600 peak  3337 weight  0.20000E+01 volume  0.10975E-01 ppm1      2.065 ppm2      2.452 CV     1
 ASSI { 1827}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.300     1.300 peak  1827 weight  0.20000E+01 volume  0.76142E-03 ppm1      2.013 ppm2      5.037 CV     1
 ASSI { 3514}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HD# ))
      4.100     2.100     1.900 peak  3514 weight  0.20000E+01 volume  0.20346E-03 ppm1      5.026 ppm2      1.767 CV     1
 ASSI { 3524}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 15   and name HA  ))
      4.900     3.100     1.100 peak  3524 weight  0.20000E+01 volume  0.65535E-04 ppm1      3.719 ppm2      4.176 CV     1
 ASSI { 3096}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 15   and name HB# ))
      2.600     0.900     0.900 peak  3096 weight  0.20000E+01 volume  0.29270E-02 ppm1      3.727 ppm2      2.009 CV     1
 ASSI { 1823}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 12   and name HD# ))
      2.600     0.900     0.900 peak  1823 weight  0.20000E+01 volume  0.30271E-02 ppm1      2.014 ppm2      3.709 CV     1
 ASSI { 2706}
   (( segid "    " and resid 12   and name HB# ))
   (( segid "    " and resid 15   and name HD# ))
      3.000     1.100     1.100 peak  2706 weight  0.20000E+01 volume  0.13746E-02 ppm1      2.603 ppm2      1.757 CV     1
 ASSI { 3097}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 15   and name HD# ))
      2.900     1.100     1.100 peak  3097 weight  0.20000E+01 volume  0.15879E-02 ppm1      3.716 ppm2      1.780 CV     1
 ASSI { 3530}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 15   and name HG# ))
      4.300     2.300     1.700 peak  3530 weight  0.20000E+01 volume  0.14818E-03 ppm1      3.721 ppm2      1.567 CV     1
 ASSI { 2878}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak  2878 weight  0.20000E+01 volume  0.65563E-03 ppm1      3.763 ppm2      4.169 CV     1
 ASSI { 1825}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 15   and name HA  ))
      2.000     0.500     0.500 peak  1825 weight  0.20000E+01 volume  0.14412E-01 ppm1      2.017 ppm2      4.195 CV     1
 ASSI { 2412}
   (( segid "    " and resid 15   and name HE# ))
   (( segid "    " and resid 15   and name HB# ))
      2.600     0.900     0.900 peak  2412 weight  0.20000E+01 volume  0.28024E-02 ppm1      3.034 ppm2      2.019 CV     1
 ASSI { 2411}
   (( segid "    " and resid 15   and name HE# ))
   (( segid "    " and resid 15   and name HD# ))
      2.000     0.500     0.500 peak  2411 weight  0.20000E+01 volume  0.16443E-01 ppm1      3.034 ppm2      1.772 CV     1
 ASSI { 1227}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1227 weight  0.20000E+01 volume  0.32841E-02 ppm1      1.586 ppm2      4.188 CV     1
 ASSI { 1821}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 15   and name HG# ))
      2.100     0.600     0.600 peak  1821 weight  0.20000E+01 volume  0.10641E-01 ppm1      2.009 ppm2      1.581 CV     1
 ASSI { 2934}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG# ))
      2.400     0.700     0.700 peak  2934 weight  0.20000E+01 volume  0.45836E-02 ppm1      4.200 ppm2      1.498 CV     1
 ASSI { 2409}
   (( segid "    " and resid 15   and name HE# ))
   (( segid "    " and resid 15   and name HG# ))
      2.300     0.700     0.700 peak  2409 weight  0.20000E+01 volume  0.61021E-02 ppm1      3.034 ppm2      1.487 CV     1
 ASSI { 3286}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 17   and name HB# ))
      3.200     1.300     1.300 peak  3286 weight  0.20000E+01 volume  0.81427E-03 ppm1      3.966 ppm2      1.435 CV     1
 ASSI { 2278}
   (( segid "    " and resid 17   and name HD# ))
   (  segid "    " and resid 13   and name HE% )
      2.500     0.800     0.800 peak  2278 weight  0.20000E+01 volume  0.35780E-02 ppm1      3.356 ppm2      7.153 CV     1
 ASSI { 2871}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB# ))
      2.700     0.900     0.900 peak  2871 weight  0.20000E+01 volume  0.26412E-02 ppm1      3.766 ppm2      0.907 CV     1
 ASSI { 2872}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB# ))
      2.400     0.700     0.700 peak  2872 weight  0.20000E+01 volume  0.48207E-02 ppm1      3.766 ppm2      1.446 CV     1
 ASSI { 2874}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG# ))
      3.500     1.500     1.500 peak  2874 weight  0.20000E+01 volume  0.53259E-03 ppm1      3.766 ppm2      1.819 CV     1
 ASSI { 2873}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG# ))
      4.100     2.100     1.900 peak  2873 weight  0.20000E+01 volume  0.21053E-03 ppm1      3.770 ppm2      1.735 CV     1
 ASSI {  210}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB# ))
      2.800     1.000     1.000 peak   210 weight  0.20000E+01 volume  0.19799E-02 ppm1      4.449 ppm2      0.911 CV     1
 ASSI { 2277}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak  2277 weight  0.20000E+01 volume  0.10110E-02 ppm1      3.130 ppm2      4.452 CV     1
 ASSI { 2263}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HB# ))
      2.600     0.800     0.800 peak  2263 weight  0.20000E+01 volume  0.34524E-02 ppm1      3.127 ppm2      1.445 CV     1
 ASSI { 2276}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak  2276 weight  0.20000E+01 volume  0.14533E-02 ppm1      3.353 ppm2      4.439 CV     1
 ASSI { 2261}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HB# ))
      2.500     0.800     0.800 peak  2261 weight  0.20000E+01 volume  0.36196E-02 ppm1      3.358 ppm2      0.892 CV     1
 ASSI {  213}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG# ))
      2.700     0.900     0.900 peak   213 weight  0.20000E+01 volume  0.26086E-02 ppm1      4.448 ppm2      1.820 CV     1
 ASSI { 2266}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HG# ))
      2.300     0.700     0.700 peak  2266 weight  0.20000E+01 volume  0.65060E-02 ppm1      3.122 ppm2      1.814 CV     1
 ASSI { 2267}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HG# ))
      2.100     0.600     0.600 peak  2267 weight  0.20000E+01 volume  0.10792E-01 ppm1      3.353 ppm2      1.818 CV     1
 ASSI { 2265}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HG# ))
      2.300     0.700     0.700 peak  2265 weight  0.20000E+01 volume  0.65004E-02 ppm1      3.125 ppm2      1.747 CV     1
 ASSI { 2268}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HG# ))
      2.100     0.500     0.500 peak  2268 weight  0.20000E+01 volume  0.12703E-01 ppm1      3.353 ppm2      1.739 CV     1
 ASSI { 1598}
   (( segid "    " and resid 15   and name HD# ))
   (( segid "    " and resid 18   and name HB# ))
      3.100     1.200     1.200 peak  1598 weight  0.20000E+01 volume  0.11743E-02 ppm1      1.776 ppm2      4.013 CV     1
 ASSI { 1234}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 18   and name HB# ))
      3.400     1.400     1.400 peak  1234 weight  0.20000E+01 volume  0.66367E-03 ppm1      1.586 ppm2      3.984 CV     1
 ASSI { 2889}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB# ))
      2.000     0.500     0.500 peak  2889 weight  0.20000E+01 volume  0.17298E-01 ppm1      4.117 ppm2      2.330 CV     1
 ASSI { 2753}
   (( segid "    " and resid 19   and name HB# ))
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak  2753 weight  0.20000E+01 volume  0.75175E-02 ppm1      2.261 ppm2      4.100 CV     1
 ASSI { 2657}
   (( segid "    " and resid 19   and name HG# ))
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak  2657 weight  0.20000E+01 volume  0.95507E-02 ppm1      2.353 ppm2      4.112 CV     1
 ASSI { 2004}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak  2004 weight  0.20000E+01 volume  0.87267E-03 ppm1      2.008 ppm2      4.276 CV     1
 ASSI { 2005}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak  2005 weight  0.20000E+01 volume  0.10174E-02 ppm1      1.920 ppm2      4.263 CV     1
 ASSI { 2002}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak  2002 weight  0.20000E+01 volume  0.56484E-02 ppm1      2.017 ppm2      3.175 CV     1
 ASSI { 2003}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak  2003 weight  0.20000E+01 volume  0.58064E-02 ppm1      1.918 ppm2      3.171 CV     1
 ASSI { 1813}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HE# ))
      3.100     1.200     1.200 peak  1813 weight  0.20000E+01 volume  0.10791E-02 ppm1      1.923 ppm2      2.945 CV     1
 ASSI { 3349}
   (( segid "    " and resid 22   and name HD# ))
   (( segid "    " and resid 22   and name HE# ))
      2.300     0.700     0.700 peak  3349 weight  0.20000E+01 volume  0.63424E-02 ppm1      1.678 ppm2      2.941 CV     1
 ASSI { 1263}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak  1263 weight  0.20000E+01 volume  0.50897E-02 ppm1      1.358 ppm2      3.873 CV     1
 ASSI { 1807}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HG# ))
      2.500     0.800     0.800 peak  1807 weight  0.20000E+01 volume  0.43460E-02 ppm1      1.986 ppm2      1.349 CV     1
 ASSI { 2880}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG# ))
      2.300     0.700     0.700 peak  2880 weight  0.20000E+01 volume  0.64458E-02 ppm1      3.885 ppm2      1.637 CV     1
 ASSI { 1241}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HB# ))
      2.100     0.600     0.600 peak  1241 weight  0.20000E+01 volume  0.10972E-01 ppm1      1.651 ppm2      1.945 CV     1
 ASSI { 2028}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 20   and name HA# ))
      2.800     1.000     1.000 peak  2028 weight  0.20000E+01 volume  0.18748E-02 ppm1      1.824 ppm2      3.086 CV     1
 ASSI {  620}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 20   and name HA# ))
      4.100     2.100     1.900 peak   620 weight  0.20000E+01 volume  0.19189E-03 ppm1      0.869 ppm2      3.082 CV     1
 ASSI { 3555}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HG# ))
      3.500     1.500     1.500 peak  3555 weight  0.20000E+01 volume  0.53467E-03 ppm1      3.760 ppm2      1.364 CV     1
 ASSI { 2029}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak  2029 weight  0.20000E+01 volume  0.53224E-02 ppm1      1.819 ppm2      3.753 CV     1
 ASSI {  472}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   472 weight  0.20000E+01 volume  0.34386E-02 ppm1      0.874 ppm2      3.754 CV     1
 ASSI { 2026}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HG1#))
      2.400     0.700     0.700 peak  2026 weight  0.20000E+01 volume  0.56405E-02 ppm1      1.821 ppm2      1.198 CV     1
 ASSI {  623}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.000     1.000 peak   623 weight  0.20000E+01 volume  0.17620E-02 ppm1      0.869 ppm2      4.030 CV     1
 ASSI { 3570}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 24   and name HD# ))
      4.600     2.600     1.400 peak  3570 weight  0.20000E+01 volume  0.10544E-03 ppm1      0.868 ppm2      2.807 CV     1
 ASSI { 3571}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 24   and name HD# ))
      3.700     1.700     1.700 peak  3571 weight  0.20000E+01 volume  0.38039E-03 ppm1      0.873 ppm2      3.245 CV     1
 ASSI { 1546}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak  1546 weight  0.20000E+01 volume  0.31065E-02 ppm1      1.625 ppm2      4.014 CV     1
 ASSI { 1544}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 24   and name HD# ))
      3.200     1.300     1.300 peak  1544 weight  0.20000E+01 volume  0.86810E-03 ppm1      1.698 ppm2      2.813 CV     1
 ASSI { 1547}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 24   and name HD# ))
      2.900     1.100     1.100 peak  1547 weight  0.20000E+01 volume  0.15038E-02 ppm1      1.625 ppm2      2.816 CV     1
 ASSI { 2456}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 24   and name HA  ))
      2.100     0.600     0.600 peak  2456 weight  0.20000E+01 volume  0.10318E-01 ppm1      3.243 ppm2      4.017 CV     1
 ASSI { 2881}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB# ))
      2.100     0.600     0.600 peak  2881 weight  0.20000E+01 volume  0.10905E-01 ppm1      3.881 ppm2      1.726 CV     1
 ASSI { 3440}
   (( segid "    " and resid 25   and name HD# ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak  3440 weight  0.20000E+01 volume  0.18759E-02 ppm1      1.577 ppm2      3.896 CV     1
 ASSI { 2434}
   (( segid "    " and resid 25   and name HE# ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.500     1.500 peak  2434 weight  0.20000E+01 volume  0.59508E-03 ppm1      2.870 ppm2      3.854 CV     1
 ASSI { 1220}
   (( segid "    " and resid 25   and name HG# ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak  1220 weight  0.20000E+01 volume  0.19919E-02 ppm1      1.444 ppm2      3.860 CV     1
 ASSI { 3438}
   (( segid "    " and resid 25   and name HD# ))
   (( segid "    " and resid 25   and name HB# ))
      1.900     0.500     0.500 peak  3438 weight  0.20000E+01 volume  0.18935E-01 ppm1      1.582 ppm2      1.776 CV     1
 ASSI { 2429}
   (( segid "    " and resid 25   and name HE# ))
   (( segid "    " and resid 25   and name HG# ))
      2.500     0.800     0.800 peak  2429 weight  0.20000E+01 volume  0.39149E-02 ppm1      2.870 ppm2      1.325 CV     1
 ASSI { 1219}
   (( segid "    " and resid 25   and name HG# ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak  1219 weight  0.20000E+01 volume  0.48207E-02 ppm1      1.444 ppm2      3.968 CV     1
 ASSI { 3441}
   (( segid "    " and resid 25   and name HD# ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.700     1.700 peak  3441 weight  0.20000E+01 volume  0.41420E-03 ppm1      1.573 ppm2      7.351 CV     1
 ASSI { 2420}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 22   and name HD# ))
      3.300     1.300     1.300 peak  2420 weight  0.20000E+01 volume  0.77561E-03 ppm1      2.770 ppm2      1.701 CV     1
 ASSI {   43}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HB# ))
      3.100     1.200     1.200 peak    43 weight  0.20000E+01 volume  0.11393E-02 ppm1      3.759 ppm2      1.463 CV     1
 ASSI { 1618}
   (( segid "    " and resid 26   and name HD# ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak  1618 weight  0.20000E+01 volume  0.20967E-02 ppm1      1.388 ppm2      3.791 CV     1
 ASSI { 2418}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 26   and name HD# ))
      2.000     0.500     0.500 peak  2418 weight  0.20000E+01 volume  0.13719E-01 ppm1      2.808 ppm2      1.416 CV     1
 ASSI { 2419}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 26   and name HD# ))
      2.000     0.500     0.500 peak  2419 weight  0.20000E+01 volume  0.14698E-01 ppm1      2.762 ppm2      1.403 CV     1
 ASSI { 1143}
   (( segid "    " and resid 26   and name HG# ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak  1143 weight  0.20000E+01 volume  0.30302E-02 ppm1      0.523 ppm2      3.791 CV     1
 ASSI { 1867}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 26   and name HG# ))
      2.500     0.800     0.800 peak  1867 weight  0.20000E+01 volume  0.34742E-02 ppm1      1.482 ppm2      0.515 CV     1
 ASSI { 1140}
   (( segid "    " and resid 26   and name HG# ))
   (( segid "    " and resid 26   and name HB# ))
      2.400     0.700     0.700 peak  1140 weight  0.20000E+01 volume  0.49707E-02 ppm1      0.519 ppm2      1.222 CV     1
 ASSI { 1614}
   (( segid "    " and resid 26   and name HD# ))
   (( segid "    " and resid 26   and name HG# ))
      2.500     0.800     0.800 peak  1614 weight  0.20000E+01 volume  0.41153E-02 ppm1      1.384 ppm2      0.510 CV     1
 ASSI { 1615}
   (( segid "    " and resid 26   and name HD# ))
   (( segid "    " and resid 26   and name HG# ))
      2.500     0.800     0.800 peak  1615 weight  0.20000E+01 volume  0.43673E-02 ppm1      1.444 ppm2      0.510 CV     1
 ASSI { 1137}
   (( segid "    " and resid 26   and name HG# ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak  1137 weight  0.20000E+01 volume  0.61426E-02 ppm1      0.923 ppm2      3.809 CV     1
 ASSI { 1869}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 26   and name HG# ))
      2.400     0.700     0.700 peak  1869 weight  0.20000E+01 volume  0.46252E-02 ppm1      1.230 ppm2      0.914 CV     1
 ASSI { 2592}
   (( segid "    " and resid 27   and name HB# ))
   (  segid "    " and resid 23   and name HG# )
      3.400     1.400     1.400 peak  2592 weight  0.20000E+01 volume  0.67343E-03 ppm1      2.653 ppm2      0.870 CV     1
 ASSI { 3554}
   (  segid "    " and resid 23   and name HD# )
   (  segid "    " and resid 27   and name HD% )
      3.300     1.400     1.400 peak  3554 weight  0.20000E+01 volume  0.72650E-03 ppm1      0.879 ppm2      7.149 CV     1
 ASSI { 2032}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 27   and name HE% )
      3.400     1.500     1.500 peak  2032 weight  0.20000E+01 volume  0.57215E-03 ppm1      1.827 ppm2      6.733 CV     1
 ASSI {  475}
   (  segid "    " and resid 23   and name HD# )
   (  segid "    " and resid 27   and name HE% )
      2.700     0.900     0.900 peak   475 weight  0.20000E+01 volume  0.25663E-02 ppm1      0.883 ppm2      6.733 CV     1
 ASSI { 1647}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 27   and name HE% )
      3.200     1.300     1.300 peak  1647 weight  0.20000E+01 volume  0.90184E-03 ppm1      1.207 ppm2      6.735 CV     1
 ASSI { 1144}
   (( segid "    " and resid 26   and name HG# ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.400     1.400 peak  1144 weight  0.20000E+01 volume  0.71798E-03 ppm1      0.519 ppm2      5.079 CV     1
 ASSI { 1878}
   (( segid "    " and resid 26   and name HB# ))
   (  segid "    " and resid 27   and name HE% )
      2.900     1.100     1.100 peak  1878 weight  0.20000E+01 volume  0.14742E-02 ppm1      1.229 ppm2      6.731 CV     1
 ASSI { 2421}
   (( segid "    " and resid 26   and name HE# ))
   (  segid "    " and resid 27   and name HE% )
      2.600     0.800     0.800 peak  2421 weight  0.20000E+01 volume  0.33409E-02 ppm1      2.764 ppm2      6.743 CV     1
 ASSI {  359}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB# ))
      2.500     0.800     0.800 peak   359 weight  0.20000E+01 volume  0.36230E-02 ppm1      5.097 ppm2      2.895 CV     1
 ASSI { 2607}
   (( segid "    " and resid 27   and name HB# ))
   (  segid "    " and resid 27   and name HD% )
      2.400     0.700     0.700 peak  2607 weight  0.20000E+01 volume  0.51028E-02 ppm1      2.656 ppm2      7.160 CV     1
 ASSI { 2606}
   (( segid "    " and resid 27   and name HB# ))
   (  segid "    " and resid 27   and name HE% )
      3.200     1.300     1.300 peak  2606 weight  0.20000E+01 volume  0.90391E-03 ppm1      2.656 ppm2      6.740 CV     1
 ASSI { 2952}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 28   and name HD# ))
      3.600     1.600     1.600 peak  2952 weight  0.20000E+01 volume  0.44336E-03 ppm1      3.809 ppm2      3.286 CV     1
 ASSI { 3172}
   (( segid "    " and resid 28   and name HD# ))
   (  segid "    " and resid 27   and name HD% )
      2.900     1.100     1.100 peak  3172 weight  0.20000E+01 volume  0.15777E-02 ppm1      3.623 ppm2      7.171 CV     1
 ASSI {   49}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB# ))
      2.000     0.500     0.500 peak    49 weight  0.20000E+01 volume  0.15494E-01 ppm1      4.442 ppm2      1.936 CV     1
 ASSI { 3168}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak  3168 weight  0.20000E+01 volume  0.25432E-02 ppm1      3.286 ppm2      4.448 CV     1
 ASSI { 1752}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 28   and name HD# ))
      2.500     0.800     0.800 peak  1752 weight  0.20000E+01 volume  0.35553E-02 ppm1      1.935 ppm2      3.287 CV     1
 ASSI { 2725}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 28   and name HD# ))
      2.500     0.800     0.800 peak  2725 weight  0.20000E+01 volume  0.37780E-02 ppm1      2.315 ppm2      3.296 CV     1
 ASSI { 3169}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.400     1.400 peak  3169 weight  0.20000E+01 volume  0.62889E-03 ppm1      3.619 ppm2      4.452 CV     1
 ASSI { 1753}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 28   and name HD# ))
      2.600     0.800     0.800 peak  1753 weight  0.20000E+01 volume  0.31882E-02 ppm1      1.930 ppm2      3.614 CV     1
 ASSI { 2726}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 28   and name HD# ))
      2.900     1.000     1.000 peak  2726 weight  0.20000E+01 volume  0.17556E-02 ppm1      2.323 ppm2      3.624 CV     1
 ASSI { 1472}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak  1472 weight  0.20000E+01 volume  0.38484E-02 ppm1      1.892 ppm2      4.438 CV     1
 ASSI {  370}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB# ))
      2.100     0.500     0.500 peak   370 weight  0.20000E+01 volume  0.12587E-01 ppm1      4.673 ppm2      2.845 CV     1
 ASSI { 2593}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HB# ))
      2.900     1.100     1.100 peak  2593 weight  0.20000E+01 volume  0.15771E-02 ppm1      2.653 ppm2      1.123 CV     1
 ASSI { 2599}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HD# ))
      3.000     1.100     1.100 peak  2599 weight  0.20000E+01 volume  0.14279E-02 ppm1      2.647 ppm2      2.439 CV     1
 ASSI { 2600}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HD# ))
      3.100     1.200     1.200 peak  2600 weight  0.20000E+01 volume  0.11319E-02 ppm1      2.903 ppm2      2.443 CV     1
 ASSI { 2302}
   (( segid "    " and resid 30   and name HD# ))
   (  segid "    " and resid 27   and name HD% )
      2.800     1.000     1.000 peak  2302 weight  0.20000E+01 volume  0.20508E-02 ppm1      2.440 ppm2      7.149 CV     1
 ASSI { 2301}
   (( segid "    " and resid 30   and name HD# ))
   (  segid "    " and resid 27   and name HD% )
      3.000     1.100     1.100 peak  2301 weight  0.20000E+01 volume  0.13599E-02 ppm1      2.676 ppm2      7.162 CV     1
 ASSI { 2594}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HG# ))
      2.900     1.100     1.100 peak  2594 weight  0.20000E+01 volume  0.15240E-02 ppm1      2.662 ppm2      1.290 CV     1
 ASSI { 2596}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HG# ))
      3.100     1.200     1.200 peak  2596 weight  0.20000E+01 volume  0.11210E-02 ppm1      2.906 ppm2      1.290 CV     1
 ASSI { 1442}
   (( segid "    " and resid 30   and name HG# ))
   (  segid "    " and resid 27   and name HD% )
      3.100     1.200     1.200 peak  1442 weight  0.20000E+01 volume  0.10715E-02 ppm1      1.298 ppm2      7.158 CV     1
 ASSI {  346}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB# ))
      2.500     0.800     0.800 peak   346 weight  0.20000E+01 volume  0.35526E-02 ppm1      4.914 ppm2      1.121 CV     1
 ASSI { 1909}
   (( segid "    " and resid 30   and name HB# ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  1909 weight  0.20000E+01 volume  0.26370E-02 ppm1      1.424 ppm2      4.895 CV     1
 ASSI { 2297}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  2297 weight  0.20000E+01 volume  0.22366E-02 ppm1      2.442 ppm2      4.912 CV     1
 ASSI { 1906}
   (( segid "    " and resid 30   and name HB# ))
   (( segid "    " and resid 30   and name HD# ))
      3.100     1.200     1.200 peak  1906 weight  0.20000E+01 volume  0.10558E-02 ppm1      1.424 ppm2      2.445 CV     1
 ASSI { 2298}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak  2298 weight  0.20000E+01 volume  0.45963E-02 ppm1      2.671 ppm2      4.905 CV     1
 ASSI { 2289}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HB# ))
      2.400     0.700     0.700 peak  2289 weight  0.20000E+01 volume  0.55891E-02 ppm1      2.674 ppm2      1.110 CV     1
 ASSI { 1438}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak  1438 weight  0.20000E+01 volume  0.49885E-02 ppm1      1.298 ppm2      4.909 CV     1
 ASSI { 2290}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HG# ))
      2.200     0.600     0.600 peak  2290 weight  0.20000E+01 volume  0.79662E-02 ppm1      2.674 ppm2      1.286 CV     1
 ASSI {  344}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG# ))
      2.400     0.700     0.700 peak   344 weight  0.20000E+01 volume  0.53066E-02 ppm1      4.912 ppm2      1.424 CV     1
 ASSI { 1450}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 30   and name HB# ))
      2.000     0.500     0.500 peak  1450 weight  0.20000E+01 volume  0.15055E-01 ppm1      1.440 ppm2      1.138 CV     1
 ASSI {  624}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   624 weight  0.20000E+01 volume  0.91389E-03 ppm1      0.866 ppm2      4.137 CV     1
 ASSI { 2454}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak  2454 weight  0.20000E+01 volume  0.12760E-02 ppm1      2.806 ppm2      4.147 CV     1
 ASSI { 2455}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak  2455 weight  0.20000E+01 volume  0.22645E-02 ppm1      3.243 ppm2      4.139 CV     1
 ASSI {  349}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak   349 weight  0.20000E+01 volume  0.88179E-02 ppm1      4.905 ppm2      9.137 CV     1
 ASSI { 1918}
   (( segid "    " and resid 30   and name HB# ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak  1918 weight  0.20000E+01 volume  0.10207E-02 ppm1      1.121 ppm2      9.141 CV     1
 ASSI { 2303}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 31   and name HN  ))
      3.600     1.600     1.600 peak  2303 weight  0.20000E+01 volume  0.43727E-03 ppm1      2.445 ppm2      9.113 CV     1
 ASSI { 2304}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak  2304 weight  0.20000E+01 volume  0.12661E-02 ppm1      2.672 ppm2      9.127 CV     1
 ASSI {  658}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   658 weight  0.20000E+01 volume  0.45127E-02 ppm1      0.411 ppm2      4.157 CV     1
 ASSI { 1887}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.000     1.000 peak  1887 weight  0.20000E+01 volume  0.17513E-02 ppm1      1.388 ppm2      9.116 CV     1
 ASSI {  474}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   474 weight  0.20000E+01 volume  0.62078E-03 ppm1      0.874 ppm2      5.114 CV     1
 ASSI {  625}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak   625 weight  0.20000E+01 volume  0.17543E-02 ppm1      0.872 ppm2      5.137 CV     1
 ASSI {  621}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 32   and name HD# ))
      2.800     1.000     1.000 peak   621 weight  0.20000E+01 volume  0.17824E-02 ppm1      0.865 ppm2      3.383 CV     1
 ASSI {  617}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 32   and name HG# ))
      2.900     1.100     1.100 peak   617 weight  0.20000E+01 volume  0.14559E-02 ppm1      0.878 ppm2      2.507 CV     1
 ASSI { 2027}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 32   and name HG# ))
      3.000     1.100     1.100 peak  2027 weight  0.20000E+01 volume  0.12954E-02 ppm1      1.819 ppm2      1.428 CV     1
 ASSI { 2452}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 32   and name HD# ))
      2.400     0.700     0.700 peak  2452 weight  0.20000E+01 volume  0.52661E-02 ppm1      2.795 ppm2      3.359 CV     1
 ASSI { 2451}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 32   and name HD# ))
      2.400     0.700     0.700 peak  2451 weight  0.20000E+01 volume  0.46769E-02 ppm1      3.246 ppm2      3.351 CV     1
 ASSI { 3138}
   (( segid "    " and resid 32   and name HD# ))
   (( segid "    " and resid 24   and name HD# ))
      3.600     1.600     1.600 peak  3138 weight  0.20000E+01 volume  0.42639E-03 ppm1      3.332 ppm2      2.798 CV     1
 ASSI {  822}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 32   and name HD# ))
      2.500     0.800     0.800 peak   822 weight  0.20000E+01 volume  0.44015E-02 ppm1      0.377 ppm2      3.388 CV     1
 ASSI { 1881}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 32   and name HD# ))
      2.600     0.900     0.900 peak  1881 weight  0.20000E+01 volume  0.27702E-02 ppm1      1.391 ppm2      3.345 CV     1
 ASSI { 3128}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 31   and name HG# )
      2.900     1.000     1.000 peak  3128 weight  0.20000E+01 volume  0.16807E-02 ppm1      3.338 ppm2      0.391 CV     1
 ASSI { 1737}
   (( segid "    " and resid 32   and name HB# ))
   (( segid "    " and resid 32   and name HD# ))
      3.000     1.100     1.100 peak  1737 weight  0.20000E+01 volume  0.13479E-02 ppm1      1.590 ppm2      3.389 CV     1
 ASSI { 3135}
   (( segid "    " and resid 32   and name HD# ))
   (( segid "    " and resid 32   and name HG# ))
      2.800     0.900     0.900 peak  3135 weight  0.20000E+01 volume  0.22016E-02 ppm1      3.401 ppm2      2.525 CV     1
 ASSI { 2783}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 32   and name HD# ))
      2.400     0.700     0.700 peak  2783 weight  0.20000E+01 volume  0.46943E-02 ppm1      2.528 ppm2      3.363 CV     1
 ASSI { 1271}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 32   and name HB# ))
      2.600     0.800     0.800 peak  1271 weight  0.20000E+01 volume  0.34444E-02 ppm1      1.436 ppm2      1.849 CV     1
 ASSI { 3306}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 31   and name HG# )
      3.800     1.800     1.800 peak  3306 weight  0.20000E+01 volume  0.30197E-03 ppm1      5.112 ppm2      0.425 CV     1
 ASSI { 1883}
   (( segid "    " and resid 31   and name HB  ))
   (  segid "    " and resid 33   and name HG# )
      2.600     0.800     0.800 peak  1883 weight  0.20000E+01 volume  0.32625E-02 ppm1      1.384 ppm2      0.569 CV     1
 ASSI {  816}
   (  segid "    " and resid 31   and name HG# )
   (  segid "    " and resid 33   and name HG# )
      2.300     0.600     0.600 peak   816 weight  0.20000E+01 volume  0.72997E-02 ppm1      0.375 ppm2      0.577 CV     1
 ASSI {  870}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 33   and name HB  ))
      2.100     0.500     0.500 peak   870 weight  0.20000E+01 volume  0.11731E-01 ppm1      0.639 ppm2      1.729 CV     1
 ASSI {  190}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.300     1.300 peak   190 weight  0.20000E+01 volume  0.78144E-03 ppm1      5.101 ppm2      8.880 CV     1
 ASSI {  885}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.800     0.800 peak   885 weight  0.20000E+01 volume  0.34137E-02 ppm1      0.644 ppm2      8.876 CV     1
 ASSI {  888}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   888 weight  0.20000E+01 volume  0.46536E-02 ppm1      0.583 ppm2      8.883 CV     1
 ASSI {  572}
   (  segid "    " and resid 34   and name HG# )
   (  segid "    " and resid 5    and name HD% )
      2.600     0.900     0.900 peak   572 weight  0.20000E+01 volume  0.27638E-02 ppm1      0.647 ppm2      7.203 CV     1
 ASSI { 2464}
   (( segid "    " and resid 7    and name HB# ))
   (  segid "    " and resid 34   and name HG# )
      2.700     0.900     0.900 peak  2464 weight  0.20000E+01 volume  0.22054E-02 ppm1      3.515 ppm2      0.641 CV     1
 ASSI {  566}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 7    and name HB# ))
      2.700     0.900     0.900 peak   566 weight  0.20000E+01 volume  0.23519E-02 ppm1      0.634 ppm2      2.718 CV     1
 ASSI { 1695}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 34   and name HB  ))
      2.400     0.700     0.700 peak  1695 weight  0.20000E+01 volume  0.45022E-02 ppm1      1.430 ppm2      1.264 CV     1
 ASSI {  889}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak   889 weight  0.20000E+01 volume  0.13231E-02 ppm1      0.583 ppm2      8.774 CV     1
 ASSI { 2014}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak  2014 weight  0.20000E+01 volume  0.12494E-02 ppm1      1.266 ppm2      4.938 CV     1
 ASSI {  433}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 34   and name HA  ))
      2.200     0.600     0.600 peak   433 weight  0.20000E+01 volume  0.86664E-02 ppm1     -0.563 ppm2      4.939 CV     1
 ASSI { 2012}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 34   and name HD# )
      2.900     1.000     1.000 peak  2012 weight  0.20000E+01 volume  0.16921E-02 ppm1      1.268 ppm2     -0.566 CV     1
 ASSI { 1256}
   (( segid "    " and resid 34   and name HG1#))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1256 weight  0.20000E+01 volume  0.11482E-02 ppm1      0.540 ppm2      4.901 CV     1
 ASSI { 1252}
   (( segid "    " and resid 34   and name HG1#))
   (( segid "    " and resid 34   and name HB  ))
      2.700     0.900     0.900 peak  1252 weight  0.20000E+01 volume  0.23469E-02 ppm1      0.536 ppm2      1.266 CV     1
 ASSI {  426}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 34   and name HG1#))
      2.300     0.600     0.600 peak   426 weight  0.20000E+01 volume  0.70211E-02 ppm1     -0.559 ppm2      0.531 CV     1
 ASSI {  425}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 34   and name HG1#))
      2.400     0.700     0.700 peak   425 weight  0.20000E+01 volume  0.49791E-02 ppm1     -0.568 ppm2      0.089 CV     1
 ASSI { 1259}
   (( segid "    " and resid 34   and name HG1#))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak  1259 weight  0.20000E+01 volume  0.10710E-02 ppm1      0.097 ppm2      8.774 CV     1
 ASSI { 3588}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      4.400     2.400     1.600 peak  3588 weight  0.20000E+01 volume  0.12788E-03 ppm1      2.045 ppm2      4.911 CV     1
 ASSI {  917}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.600     1.600 peak   917 weight  0.20000E+01 volume  0.49186E-03 ppm1      0.816 ppm2      8.775 CV     1
 ASSI {  263}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak   263 weight  0.20000E+01 volume  0.94572E-02 ppm1      4.932 ppm2      9.113 CV     1
 ASSI {  439}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   439 weight  0.20000E+01 volume  0.17417E-02 ppm1     -0.559 ppm2      9.116 CV     1
 ASSI {  573}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   573 weight  0.20000E+01 volume  0.22321E-02 ppm1      0.651 ppm2      9.116 CV     1
 ASSI { 3238}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      2.800     1.000     1.000 peak  3238 weight  0.20000E+01 volume  0.18126E-02 ppm1      5.735 ppm2      2.050 CV     1
 ASSI { 3240}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.100     1.100 peak  3240 weight  0.20000E+01 volume  0.14664E-02 ppm1      5.735 ppm2      9.126 CV     1
 ASSI {  956}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   956 weight  0.20000E+01 volume  0.18600E-02 ppm1      0.902 ppm2      9.120 CV     1
 ASSI { 2646}
   (( segid "    " and resid 36   and name HB# ))
   (  segid "    " and resid 3    and name HE% )
      2.600     0.800     0.800 peak  2646 weight  0.20000E+01 volume  0.31265E-02 ppm1      2.290 ppm2      1.628 CV     1
 ASSI { 3205}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 34   and name HG# )
      4.400     2.500     1.600 peak  3205 weight  0.20000E+01 volume  0.12553E-03 ppm1      4.973 ppm2      0.648 CV     1
 ASSI { 3264}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak  3264 weight  0.20000E+01 volume  0.67322E-03 ppm1      4.977 ppm2      5.736 CV     1
 ASSI {  945}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak   945 weight  0.20000E+01 volume  0.15163E-02 ppm1      0.898 ppm2      4.985 CV     1
 ASSI {  308}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB# ))
      2.300     0.700     0.700 peak   308 weight  0.20000E+01 volume  0.57165E-02 ppm1      4.976 ppm2      2.278 CV     1
 ASSI {  307}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB# ))
      2.500     0.800     0.800 peak   307 weight  0.20000E+01 volume  0.35395E-02 ppm1      4.975 ppm2      1.897 CV     1
 ASSI { 2561}
   (( segid "    " and resid 36   and name HG# ))
   (( segid "    " and resid 36   and name HB# ))
      2.300     0.700     0.700 peak  2561 weight  0.20000E+01 volume  0.58807E-02 ppm1      2.608 ppm2      1.902 CV     1
 ASSI { 1985}
   (( segid "    " and resid 36   and name HB# ))
   (( segid "    " and resid 36   and name HG# ))
      2.300     0.700     0.700 peak  1985 weight  0.20000E+01 volume  0.56796E-02 ppm1      1.908 ppm2      2.609 CV     1
 ASSI { 2650}
   (( segid "    " and resid 36   and name HB# ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak  2650 weight  0.20000E+01 volume  0.13530E-02 ppm1      2.287 ppm2      8.694 CV     1
 ASSI { 1832}
   (( segid "    " and resid 37   and name HB# ))
   (( segid "    " and resid 37   and name HE# ))
      2.100     0.500     0.500 peak  1832 weight  0.20000E+01 volume  0.11328E-01 ppm1      1.574 ppm2      3.029 CV     1
 ASSI { 1830}
   (( segid "    " and resid 37   and name HB# ))
   (( segid "    " and resid 37   and name HG# ))
      2.300     0.600     0.600 peak  1830 weight  0.20000E+01 volume  0.68607E-02 ppm1      1.578 ppm2      0.851 CV     1
 ASSI { 1624}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 37   and name HG# ))
      2.300     0.600     0.600 peak  1624 weight  0.20000E+01 volume  0.70485E-02 ppm1      1.655 ppm2      0.851 CV     1
 ASSI { 1640}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 37   and name HG# ))
      2.100     0.600     0.600 peak  1640 weight  0.20000E+01 volume  0.10272E-01 ppm1      1.491 ppm2      0.875 CV     1
 ASSI {  554}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.000     1.000 peak   554 weight  0.20000E+01 volume  0.17722E-02 ppm1      1.642 ppm2      4.412 CV     1
 ASSI {  545}
   (  segid "    " and resid 3    and name HE% )
   (  segid "    " and resid 38   and name HB% )
      2.700     0.900     0.900 peak   545 weight  0.20000E+01 volume  0.35289E-02 ppm1      1.644 ppm2      1.205 CV     1
 ASSI {  595}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      2.000     0.500     0.500 peak   595 weight  0.20000E+01 volume  0.16155E-01 ppm1      1.194 ppm2      4.420 CV     1
 ASSI { 3271}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 39   and name HD# ))
      4.700     2.700     1.300 peak  3271 weight  0.20000E+01 volume  0.93800E-04 ppm1      1.644 ppm2      3.334 CV     1
 ASSI { 3267}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 39   and name HG# ))
      3.300     1.400     1.400 peak  3267 weight  0.20000E+01 volume  0.68916E-03 ppm1      4.207 ppm2      2.005 CV     1
 ASSI { 3519}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 4    and name HB# ))
      2.900     1.100     1.100 peak  3519 weight  0.20000E+01 volume  0.15898E-02 ppm1      2.032 ppm2      1.675 CV     1
 ASSI { 3520}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 4    and name HB# ))
      3.100     1.200     1.200 peak  3520 weight  0.20000E+01 volume  0.11266E-02 ppm1      1.988 ppm2      1.688 CV     1
 ASSI { 1523}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak  1523 weight  0.20000E+01 volume  0.13283E-02 ppm1      2.036 ppm2      4.405 CV     1
 ASSI { 1524}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 38   and name HA  ))
      2.900     1.000     1.000 peak  1524 weight  0.20000E+01 volume  0.16201E-02 ppm1      1.991 ppm2      4.403 CV     1
 ASSI {   26}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB# ))
      2.100     0.500     0.500 peak    26 weight  0.20000E+01 volume  0.12603E-01 ppm1      4.230 ppm2      2.309 CV     1
 ASSI {   18}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HD# ))
      2.600     0.800     0.800 peak    18 weight  0.20000E+01 volume  0.31053E-02 ppm1      4.247 ppm2      3.867 CV     1
 ASSI { 1770}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 39   and name HD# ))
      2.800     1.000     1.000 peak  1770 weight  0.20000E+01 volume  0.20705E-02 ppm1      1.810 ppm2      3.854 CV     1
 ASSI { 2727}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 39   and name HD# ))
      2.900     1.100     1.100 peak  2727 weight  0.20000E+01 volume  0.15702E-02 ppm1      2.323 ppm2      3.848 CV     1
 ASSI { 1769}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 39   and name HD# ))
      2.800     1.000     1.000 peak  1769 weight  0.20000E+01 volume  0.20826E-02 ppm1      1.810 ppm2      3.329 CV     1
 ASSI { 1512}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 39   and name HB# ))
      2.200     0.600     0.600 peak  1512 weight  0.20000E+01 volume  0.89187E-02 ppm1      2.025 ppm2      2.305 CV     1
 ASSI { 3123}
   (( segid "    " and resid 39   and name HD# ))
   (( segid "    " and resid 39   and name HG# ))
      2.200     0.600     0.600 peak  3123 weight  0.20000E+01 volume  0.81746E-02 ppm1      3.856 ppm2      2.008 CV     1
 ASSI { 1513}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 39   and name HB# ))
      2.100     0.600     0.600 peak  1513 weight  0.20000E+01 volume  0.98238E-02 ppm1      1.991 ppm2      2.309 CV     1
 ASSI { 1519}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 39   and name HD# ))
      2.300     0.600     0.600 peak  1519 weight  0.20000E+01 volume  0.71136E-02 ppm1      1.995 ppm2      3.852 CV     1
 ASSI { 1517}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 39   and name HD# ))
      2.300     0.600     0.600 peak  1517 weight  0.20000E+01 volume  0.68619E-02 ppm1      1.995 ppm2      3.333 CV     1
 ASSI { 1771}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 119   and name HA  ))
      2.600     0.800     0.800 peak  1771 weight  0.20000E+01 volume  0.30724E-02 ppm1      1.819 ppm2      4.040 CV     1
 ASSI {  761}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 37   and name HG# ))
      2.300     0.700     0.700 peak   761 weight  0.20000E+01 volume  0.66696E-02 ppm1      1.605 ppm2      0.857 CV     1
 ASSI {  379}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 38   and name HB% )
      3.200     1.300     1.300 peak   379 weight  0.20000E+01 volume  0.84995E-03 ppm1      4.480 ppm2      1.196 CV     1
 ASSI {  588}
   (  segid "    " and resid 38   and name HB% )
   (  segid "    " and resid 41   and name HB% )
      1.900     0.500     0.500 peak   588 weight  0.20000E+01 volume  0.19001E-01 ppm1      1.194 ppm2      1.589 CV     1
 ASSI {  754}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
      1.800     0.400     0.400 peak   754 weight  0.20000E+01 volume  0.24702E-01 ppm1      1.610 ppm2      4.477 CV     1
 ASSI {  411}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HG# ))
      2.500     0.800     0.800 peak   411 weight  0.20000E+01 volume  0.40906E-02 ppm1      4.480 ppm2      1.702 CV     1
 ASSI {  276}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB# ))
      2.100     0.600     0.600 peak   276 weight  0.20000E+01 volume  0.10844E-01 ppm1      4.469 ppm2      2.006 CV     1
 ASSI {  274}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD# ))
      4.000     2.000     2.000 peak   274 weight  0.20000E+01 volume  0.22903E-03 ppm1      4.477 ppm2      3.288 CV     1
 ASSI { 1637}
   (( segid "    " and resid 42   and name HB# ))
   (( segid "    " and resid 42   and name HD# ))
      2.900     1.100     1.100 peak  1637 weight  0.20000E+01 volume  0.14956E-02 ppm1      1.999 ppm2      3.293 CV     1
 ASSI { 1634}
   (( segid "    " and resid 42   and name HB# ))
   (( segid "    " and resid 42   and name HD# ))
      2.800     1.000     1.000 peak  1634 weight  0.20000E+01 volume  0.18155E-02 ppm1      1.896 ppm2      3.300 CV     1
 ASSI {  275}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD# ))
      4.400     2.400     1.600 peak   275 weight  0.20000E+01 volume  0.13828E-03 ppm1      4.472 ppm2      3.171 CV     1
 ASSI { 2319}
   (( segid "    " and resid 42   and name HD# ))
   (( segid "    " and resid 42   and name HB# ))
      2.400     0.700     0.700 peak  2319 weight  0.20000E+01 volume  0.52014E-02 ppm1      3.185 ppm2      2.014 CV     1
 ASSI { 2318}
   (( segid "    " and resid 42   and name HD# ))
   (( segid "    " and resid 42   and name HB# ))
      2.300     0.700     0.700 peak  2318 weight  0.20000E+01 volume  0.65852E-02 ppm1      3.182 ppm2      1.888 CV     1
 ASSI { 1464}
   (( segid "    " and resid 42   and name HG# ))
   (( segid "    " and resid 42   and name HB# ))
      2.100     0.500     0.500 peak  1464 weight  0.20000E+01 volume  0.11928E-01 ppm1      1.702 ppm2      1.983 CV     1
 ASSI { 1638}
   (( segid "    " and resid 42   and name HB# ))
   (( segid "    " and resid 42   and name HG# ))
      1.900     0.500     0.500 peak  1638 weight  0.20000E+01 volume  0.18431E-01 ppm1      1.887 ppm2      1.708 CV     1
 ASSI { 1463}
   (( segid "    " and resid 42   and name HG# ))
   (( segid "    " and resid 42   and name HD# ))
      2.300     0.600     0.600 peak  1463 weight  0.20000E+01 volume  0.72171E-02 ppm1      1.702 ppm2      3.303 CV     1
 ASSI { 2317}
   (( segid "    " and resid 42   and name HD# ))
   (( segid "    " and resid 42   and name HG# ))
      2.000     0.500     0.500 peak  2317 weight  0.20000E+01 volume  0.16006E-01 ppm1      3.185 ppm2      1.708 CV     1
 ASSI { 2054}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 37   and name HG# ))
      2.700     0.900     0.900 peak  2054 weight  0.20000E+01 volume  0.23608E-02 ppm1      2.072 ppm2      0.890 CV     1
 ASSI { 3023}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 43   and name HD# )
      3.000     1.100     1.100 peak  3023 weight  0.20000E+01 volume  0.12342E-02 ppm1      3.060 ppm2      1.142 CV     1
 ASSI { 1831}
   (( segid "    " and resid 37   and name HB# ))
   (  segid "    " and resid 43   and name HD# )
      3.000     1.200     1.200 peak  1831 weight  0.20000E+01 volume  0.12040E-02 ppm1      1.578 ppm2      1.125 CV     1
 ASSI { 3516}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 37   and name HE# ))
      3.800     1.800     1.800 peak  3516 weight  0.20000E+01 volume  0.30253E-03 ppm1      1.139 ppm2      3.004 CV     1
 ASSI {  977}
   (( segid "    " and resid 37   and name HG# ))
   (  segid "    " and resid 43   and name HD# )
      3.000     1.100     1.100 peak   977 weight  0.20000E+01 volume  0.13490E-02 ppm1      1.664 ppm2      1.133 CV     1
 ASSI {  505}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 37   and name HG# ))
      1.800     0.400     0.400 peak   505 weight  0.20000E+01 volume  0.31233E-01 ppm1      1.141 ppm2      0.839 CV     1
 ASSI { 1348}
   (( segid "    " and resid 43   and name HG1#))
   (( segid "    " and resid 37   and name HG# ))
      2.100     0.600     0.600 peak  1348 weight  0.20000E+01 volume  0.10801E-01 ppm1      1.767 ppm2      0.868 CV     1
 ASSI { 3543}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 42   and name HB# ))
      4.000     2.000     2.000 peak  3543 weight  0.20000E+01 volume  0.22958E-03 ppm1      4.436 ppm2      1.877 CV     1
 ASSI {  157}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      2.100     0.500     0.500 peak   157 weight  0.20000E+01 volume  0.14225E-01 ppm1      4.442 ppm2      2.066 CV     1
 ASSI {  509}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 43   and name HB  ))
      2.200     0.600     0.600 peak   509 weight  0.20000E+01 volume  0.93225E-02 ppm1      1.141 ppm2      2.066 CV     1
 ASSI {  508}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 43   and name HG1#))
      2.000     0.500     0.500 peak   508 weight  0.20000E+01 volume  0.14575E-01 ppm1      1.137 ppm2      1.757 CV     1
 ASSI {  634}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 43   and name HB  ))
      2.000     0.500     0.500 peak   634 weight  0.20000E+01 volume  0.15062E-01 ppm1      1.110 ppm2      2.066 CV     1
 ASSI { 2227}
   (( segid "    " and resid 44   and name HA# ))
   (( segid "    " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  2227 weight  0.20000E+01 volume  0.10291E-02 ppm1      4.087 ppm2      4.427 CV     1
 ASSI { 1833}
   (( segid "    " and resid 37   and name HB# ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.100     1.100 peak  1833 weight  0.20000E+01 volume  0.15202E-02 ppm1      1.582 ppm2      4.773 CV     1
 ASSI {  333}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 37   and name HD# ))
      2.800     1.000     1.000 peak   333 weight  0.20000E+01 volume  0.19351E-02 ppm1      4.783 ppm2      1.493 CV     1
 ASSI { 1607}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 45   and name HB# ))
      2.800     0.900     0.900 peak  1607 weight  0.20000E+01 volume  0.21871E-02 ppm1      1.496 ppm2      2.555 CV     1
 ASSI { 2225}
   (( segid "    " and resid 44   and name HA# ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.400     1.400 peak  2225 weight  0.20000E+01 volume  0.68050E-03 ppm1      3.853 ppm2      4.780 CV     1
 ASSI { 2228}
   (( segid "    " and resid 44   and name HA# ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.400     1.400 peak  2228 weight  0.20000E+01 volume  0.75441E-03 ppm1      4.082 ppm2      4.780 CV     1
 ASSI { 2359}
   (( segid "    " and resid 45   and name HB# ))
   (( segid "    " and resid 45   and name HA  ))
      2.100     0.500     0.500 peak  2359 weight  0.20000E+01 volume  0.12453E-01 ppm1      2.737 ppm2      4.775 CV     1
 ASSI { 2358}
   (( segid "    " and resid 45   and name HB# ))
   (( segid "    " and resid 45   and name HA  ))
      2.100     0.500     0.500 peak  2358 weight  0.20000E+01 volume  0.11716E-01 ppm1      2.528 ppm2      4.766 CV     1
 ASSI { 2158}
   (( segid "    " and resid 46   and name HB# ))
   (( segid "    " and resid 46   and name HA  ))
      2.200     0.600     0.600 peak  2158 weight  0.20000E+01 volume  0.77103E-02 ppm1      1.830 ppm2      4.423 CV     1
 ASSI { 2157}
   (( segid "    " and resid 46   and name HB# ))
   (  segid "    " and resid 46   and name HD# )
      2.100     0.500     0.500 peak  2157 weight  0.20000E+01 volume  0.11463E-01 ppm1      1.824 ppm2      0.972 CV     1
 ASSI {  404}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HD# )
      2.200     0.600     0.600 peak   404 weight  0.20000E+01 volume  0.76720E-02 ppm1      4.417 ppm2      0.911 CV     1
 ASSI { 2156}
   (( segid "    " and resid 46   and name HB# ))
   (  segid "    " and resid 46   and name HD# )
      2.100     0.500     0.500 peak  2156 weight  0.20000E+01 volume  0.11616E-01 ppm1      1.824 ppm2      0.896 CV     1
 ASSI { 3046}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB# ))
      1.700     0.400     0.500 peak  3046 weight  0.20000E+01 volume  0.33590E-01 ppm1      4.389 ppm2      2.791 CV     1
 ASSI {  296}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HD# ))
      3.600     1.600     1.600 peak   296 weight  0.20000E+01 volume  0.46886E-03 ppm1      4.492 ppm2      1.378 CV     1
 ASSI { 2398}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 48   and name HD# ))
      2.500     0.800     0.800 peak  2398 weight  0.20000E+01 volume  0.39520E-02 ppm1      2.566 ppm2      1.492 CV     1
 ASSI { 2397}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 48   and name HD# ))
      2.500     0.800     0.800 peak  2397 weight  0.20000E+01 volume  0.43617E-02 ppm1      2.564 ppm2      1.380 CV     1
 ASSI { 1611}
   (( segid "    " and resid 48   and name HD# ))
   (( segid "    " and resid 48   and name HG# ))
      2.300     0.600     0.600 peak  1611 weight  0.20000E+01 volume  0.71994E-02 ppm1      1.380 ppm2      1.157 CV     1
 ASSI { 2394}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 48   and name HG# ))
      2.500     0.800     0.800 peak  2394 weight  0.20000E+01 volume  0.42773E-02 ppm1      2.563 ppm2      1.144 CV     1
 ASSI { 1043}
   (( segid "    " and resid 48   and name HG# ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1043 weight  0.20000E+01 volume  0.23596E-02 ppm1      0.678 ppm2      4.506 CV     1
 ASSI { 1904}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 48   and name HG# ))
      2.400     0.700     0.700 peak  1904 weight  0.20000E+01 volume  0.52917E-02 ppm1      1.641 ppm2      0.672 CV     1
 ASSI { 1609}
   (( segid "    " and resid 48   and name HD# ))
   (( segid "    " and resid 48   and name HG# ))
      2.500     0.800     0.800 peak  1609 weight  0.20000E+01 volume  0.34839E-02 ppm1      1.491 ppm2      0.683 CV     1
 ASSI { 2392}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 48   and name HG# ))
      2.400     0.700     0.700 peak  2392 weight  0.20000E+01 volume  0.47258E-02 ppm1      2.663 ppm2      0.678 CV     1
 ASSI { 2393}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 48   and name HG# ))
      2.400     0.700     0.700 peak  2393 weight  0.20000E+01 volume  0.44426E-02 ppm1      2.561 ppm2      0.678 CV     1
 ASSI { 3275}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 49   and name HE# ))
      3.800     1.800     1.800 peak  3275 weight  0.20000E+01 volume  0.33849E-03 ppm1      2.245 ppm2      3.224 CV     1
 ASSI { 2376}
   (( segid "    " and resid 49   and name HE# ))
   (  segid "    " and resid 6    and name HG# )
      3.500     1.500     1.500 peak  2376 weight  0.20000E+01 volume  0.51348E-03 ppm1      3.240 ppm2      0.997 CV     1
 ASSI { 1676}
   (( segid "    " and resid 49   and name HD# ))
   (  segid "    " and resid 7    and name HD% )
      2.700     0.900     0.900 peak  1676 weight  0.20000E+01 volume  0.22958E-02 ppm1      2.014 ppm2      7.162 CV     1
 ASSI { 1675}
   (( segid "    " and resid 49   and name HD# ))
   (  segid "    " and resid 7    and name HD% )
      2.900     1.000     1.000 peak  1675 weight  0.20000E+01 volume  0.17477E-02 ppm1      2.016 ppm2      7.043 CV     1
 ASSI { 3510}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 49   and name HB# ))
      3.000     1.200     1.200 peak  3510 weight  0.20000E+01 volume  0.12142E-02 ppm1      1.562 ppm2      1.954 CV     1
 ASSI { 3511}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 49   and name HB# ))
      2.800     1.000     1.000 peak  3511 weight  0.20000E+01 volume  0.24039E-02 ppm1      1.433 ppm2      1.946 CV     1
 ASSI { 2380}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 10   and name HG# ))
      2.500     0.800     0.800 peak  2380 weight  0.20000E+01 volume  0.39325E-02 ppm1      3.240 ppm2      2.179 CV     1
 OR { 2380}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 49   and name HB# ))
 ASSI { 1945}
   (( segid "    " and resid 49   and name HB# ))
   (  segid "    " and resid 34   and name HG# )
      3.100     1.200     1.200 peak  1945 weight  0.20000E+01 volume  0.11539E-02 ppm1      1.952 ppm2      0.635 CV     1
 ASSI { 3290}
   (( segid "    " and resid 49   and name HE# ))
   (  segid "    " and resid 34   and name HG# )
      4.600     2.600     1.400 peak  3290 weight  0.20000E+01 volume  0.10530E-03 ppm1      3.231 ppm2      0.666 CV     1
 ASSI { 3587}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak  3587 weight  0.20000E+01 volume  0.13037E-02 ppm1      2.043 ppm2      5.036 CV     1
 ASSI { 3580}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak  3580 weight  0.20000E+01 volume  0.24974E-03 ppm1      0.899 ppm2      5.036 CV     1
 ASSI { 3221}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak  3221 weight  0.20000E+01 volume  0.16477E-02 ppm1      5.021 ppm2      9.111 CV     1
 ASSI { 2382}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak  2382 weight  0.20000E+01 volume  0.12328E-02 ppm1      3.237 ppm2      4.980 CV     1
 ASSI {  306}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 49   and name HG# ))
      4.300     2.300     1.700 peak   306 weight  0.20000E+01 volume  0.15463E-03 ppm1      4.973 ppm2      1.598 CV     1
 ASSI { 2159}
   (( segid "    " and resid 46   and name HB# ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak  2159 weight  0.20000E+01 volume  0.89435E-03 ppm1      1.832 ppm2      5.038 CV     1
 ASSI { 1190}
   (  segid "    " and resid 46   and name HD# )
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak  1190 weight  0.20000E+01 volume  0.10311E-02 ppm1      0.898 ppm2      5.029 CV     1
 ASSI {  298}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      4.100     2.100     1.900 peak   298 weight  0.20000E+01 volume  0.19425E-03 ppm1      4.496 ppm2      5.035 CV     1
 ASSI { 1959}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak  1959 weight  0.20000E+01 volume  0.32474E-02 ppm1      1.955 ppm2      5.039 CV     1
 ASSI { 1952}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak  1952 weight  0.20000E+01 volume  0.32954E-02 ppm1      2.142 ppm2      5.030 CV     1
 ASSI { 1958}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 49   and name HE# ))
      3.000     1.200     1.200 peak  1958 weight  0.20000E+01 volume  0.12065E-02 ppm1      1.955 ppm2      3.230 CV     1
 ASSI { 1951}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 49   and name HE# ))
      3.100     1.200     1.200 peak  1951 weight  0.20000E+01 volume  0.10896E-02 ppm1      2.142 ppm2      3.241 CV     1
 ASSI { 2379}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 49   and name HD# ))
      1.900     0.500     0.500 peak  2379 weight  0.20000E+01 volume  0.18691E-01 ppm1      3.240 ppm2      2.020 CV     1
 ASSI { 2377}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 49   and name HG# ))
      2.400     0.700     0.700 peak  2377 weight  0.20000E+01 volume  0.47065E-02 ppm1      3.232 ppm2      1.596 CV     1
 ASSI { 1233}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak  1233 weight  0.20000E+01 volume  0.23529E-02 ppm1      1.750 ppm2      5.028 CV     1
 ASSI { 1956}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 49   and name HG# ))
      2.400     0.800     0.800 peak  1956 weight  0.20000E+01 volume  0.44118E-02 ppm1      1.955 ppm2      1.751 CV     1
 ASSI { 1237}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 49   and name HB# ))
      2.500     0.800     0.800 peak  1237 weight  0.20000E+01 volume  0.35294E-02 ppm1      1.750 ppm2      2.150 CV     1
 ASSI { 2378}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 49   and name HG# ))
      2.400     0.700     0.700 peak  2378 weight  0.20000E+01 volume  0.50325E-02 ppm1      3.235 ppm2      1.747 CV     1
 ASSI { 3488}
   (( segid "    " and resid 50   and name HD# ))
   (  segid "    " and resid 7    and name HE% )
      3.800     1.900     1.900 peak  3488 weight  0.20000E+01 volume  0.29366E-03 ppm1      1.536 ppm2      6.178 CV     1
 ASSI { 3501}
   (( segid "    " and resid 50   and name HD# ))
   (  segid "    " and resid 23   and name HD# )
      3.600     1.600     1.600 peak  3501 weight  0.20000E+01 volume  0.45618E-03 ppm1      1.614 ppm2      0.871 CV     1
 ASSI { 3196}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak  3196 weight  0.20000E+01 volume  0.52905E-02 ppm1      5.122 ppm2      4.927 CV     1
 ASSI {  434}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak   434 weight  0.20000E+01 volume  0.82594E-02 ppm1     -0.565 ppm2      5.111 CV     1
 ASSI { 1920}
   (( segid "    " and resid 50   and name HB# ))
   (  segid "    " and resid 34   and name HD# )
      2.800     0.900     0.900 peak  1920 weight  0.20000E+01 volume  0.21822E-02 ppm1      1.650 ppm2     -0.576 CV     1
 ASSI { 3497}
   (( segid "    " and resid 50   and name HD# ))
   (  segid "    " and resid 34   and name HD# )
      3.200     1.300     1.300 peak  3497 weight  0.20000E+01 volume  0.83928E-03 ppm1      1.535 ppm2     -0.567 CV     1
 ASSI { 3498}
   (( segid "    " and resid 50   and name HD# ))
   (  segid "    " and resid 34   and name HD# )
      3.200     1.300     1.300 peak  3498 weight  0.20000E+01 volume  0.82349E-03 ppm1      1.617 ppm2     -0.558 CV     1
 ASSI {  428}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 50   and name HG# ))
      3.000     1.100     1.100 peak   428 weight  0.20000E+01 volume  0.12312E-02 ppm1     -0.555 ppm2      1.007 CV     1
 ASSI { 3198}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak  3198 weight  0.20000E+01 volume  0.15490E-02 ppm1      5.122 ppm2      9.118 CV     1
 ASSI { 3201}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB# ))
      2.100     0.600     0.600 peak  3201 weight  0.20000E+01 volume  0.10814E-01 ppm1      5.122 ppm2      1.223 CV     1
 ASSI { 1922}
   (( segid "    " and resid 50   and name HB# ))
   (( segid "    " and resid 50   and name HD# ))
      2.300     0.700     0.700 peak  1922 weight  0.20000E+01 volume  0.61309E-02 ppm1      1.237 ppm2      1.547 CV     1
 ASSI { 2492}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 50   and name HD# ))
      2.000     0.500     0.500 peak  2492 weight  0.20000E+01 volume  0.15639E-01 ppm1      2.767 ppm2      1.554 CV     1
 ASSI { 1924}
   (( segid "    " and resid 50   and name HB# ))
   (( segid "    " and resid 50   and name HE# ))
      2.600     0.900     0.900 peak  1924 weight  0.20000E+01 volume  0.29437E-02 ppm1      1.251 ppm2      2.764 CV     1
 ASSI { 3493}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HE# ))
      2.300     0.700     0.700 peak  3493 weight  0.20000E+01 volume  0.58990E-02 ppm1      1.617 ppm2      2.776 CV     1
 ASSI { 1076}
   (( segid "    " and resid 50   and name HG# ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak  1076 weight  0.20000E+01 volume  0.34389E-02 ppm1      1.203 ppm2      5.124 CV     1
 ASSI { 3499}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HG# ))
      2.200     0.600     0.600 peak  3499 weight  0.20000E+01 volume  0.83445E-02 ppm1      1.617 ppm2      1.197 CV     1
 ASSI { 3202}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG# ))
      2.600     0.800     0.800 peak  3202 weight  0.20000E+01 volume  0.34632E-02 ppm1      5.127 ppm2      1.014 CV     1
 ASSI { 1921}
   (( segid "    " and resid 50   and name HB# ))
   (( segid "    " and resid 50   and name HG# ))
      2.300     0.700     0.700 peak  1921 weight  0.20000E+01 volume  0.58466E-02 ppm1      1.245 ppm2      1.012 CV     1
 ASSI { 1060}
   (( segid "    " and resid 50   and name HG# ))
   (( segid "    " and resid 50   and name HD# ))
      2.500     0.800     0.800 peak  1060 weight  0.20000E+01 volume  0.39803E-02 ppm1      1.018 ppm2      1.522 CV     1
 ASSI { 3500}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HG# ))
      2.500     0.800     0.800 peak  3500 weight  0.20000E+01 volume  0.38830E-02 ppm1      1.618 ppm2      1.011 CV     1
 ASSI { 1977}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.300     1.300 peak  1977 weight  0.20000E+01 volume  0.76370E-03 ppm1      1.757 ppm2      4.472 CV     1
 ASSI { 1976}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 51   and name HB# ))
      2.600     0.800     0.800 peak  1976 weight  0.20000E+01 volume  0.32423E-02 ppm1      1.748 ppm2      2.835 CV     1
 ASSI { 1975}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 51   and name HB# ))
      2.400     0.700     0.700 peak  1975 weight  0.20000E+01 volume  0.51093E-02 ppm1      1.746 ppm2      2.655 CV     1
 ASSI {  872}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 51   and name HB# ))
      3.100     1.200     1.200 peak   872 weight  0.20000E+01 volume  0.10396E-02 ppm1      0.635 ppm2      2.651 CV     1
 ASSI {  897}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 51   and name HB# ))
      3.100     1.200     1.200 peak   897 weight  0.20000E+01 volume  0.97731E-03 ppm1      0.579 ppm2      2.651 CV     1
 ASSI {  943}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 51   and name HB# ))
      3.000     1.100     1.100 peak   943 weight  0.20000E+01 volume  0.13765E-02 ppm1      0.900 ppm2      2.840 CV     1
 ASSI {  952}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 51   and name HD% )
      3.100     1.200     1.200 peak   952 weight  0.20000E+01 volume  0.98611E-03 ppm1      0.902 ppm2      7.062 CV     1
 ASSI { 1187}
   (  segid "    " and resid 46   and name HD# )
   (  segid "    " and resid 51   and name HD% )
      3.500     1.600     1.600 peak  1187 weight  0.20000E+01 volume  0.48396E-03 ppm1      0.903 ppm2      7.071 CV     1
 ASSI { 2404}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak  2404 weight  0.20000E+01 volume  0.22961E-02 ppm1      2.563 ppm2      4.452 CV     1
 ASSI { 2408}
   (( segid "    " and resid 48   and name HE# ))
   (  segid "    " and resid 51   and name HD% )
      2.800     1.000     1.000 peak  2408 weight  0.20000E+01 volume  0.19489E-02 ppm1      2.563 ppm2      7.065 CV     1
 ASSI {  251}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB# ))
      2.200     0.600     0.600 peak   251 weight  0.20000E+01 volume  0.76171E-02 ppm1      4.464 ppm2      2.822 CV     1
 ASSI { 3572}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 52   and name HA  ))
      5.200     3.400     0.800 peak  3572 weight  0.20000E+01 volume  0.49117E-04 ppm1      0.868 ppm2      4.856 CV     1
 ASSI {   40}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 52   and name HD# )
      4.000     2.000     2.000 peak    40 weight  0.20000E+01 volume  0.24634E-03 ppm1      3.751 ppm2      0.468 CV     1
 ASSI {  464}
   (  segid "    " and resid 23   and name HD# )
   (  segid "    " and resid 52   and name HD# )
      2.200     0.600     0.600 peak   464 weight  0.20000E+01 volume  0.76262E-02 ppm1      0.879 ppm2      0.483 CV     1
 ASSI {  612}
   (  segid "    " and resid 23   and name HG# )
   (  segid "    " and resid 52   and name HD# )
      2.000     0.500     0.500 peak   612 weight  0.20000E+01 volume  0.15740E-01 ppm1      0.869 ppm2      0.475 CV     1
 ASSI { 1653}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 52   and name HD# )
      2.900     1.100     1.100 peak  1653 weight  0.20000E+01 volume  0.15161E-02 ppm1      1.813 ppm2      0.455 CV     1
 ASSI { 1406}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 23   and name HG# )
      2.400     0.700     0.700 peak  1406 weight  0.20000E+01 volume  0.51584E-02 ppm1      1.083 ppm2      0.843 CV     1
 ASSI { 2597}
   (( segid "    " and resid 27   and name HB# ))
   (  segid "    " and resid 52   and name HD# )
      3.000     1.100     1.100 peak  2597 weight  0.20000E+01 volume  0.12713E-02 ppm1      2.653 ppm2      0.478 CV     1
 ASSI { 1022}
   (  segid "    " and resid 52   and name HD# )
   (  segid "    " and resid 27   and name HE% )
      2.900     1.000     1.000 peak  1022 weight  0.20000E+01 volume  0.17535E-02 ppm1      0.493 ppm2      6.743 CV     1
 ASSI { 2598}
   (( segid "    " and resid 27   and name HB# ))
   (  segid "    " and resid 52   and name HD# )
      2.900     1.100     1.100 peak  2598 weight  0.20000E+01 volume  0.15100E-02 ppm1      2.909 ppm2      0.445 CV     1
 ASSI { 1017}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 30   and name HD# ))
      4.400     2.400     1.600 peak  1017 weight  0.20000E+01 volume  0.13529E-03 ppm1      0.499 ppm2      2.448 CV     1
 ASSI { 3553}
   (( segid "    " and resid 30   and name HG# ))
   (  segid "    " and resid 52   and name HD# )
      3.100     1.200     1.200 peak  3553 weight  0.20000E+01 volume  0.10934E-02 ppm1      1.441 ppm2      0.461 CV     1
 ASSI { 2286}
   (( segid "    " and resid 30   and name HD# ))
   (  segid "    " and resid 52   and name HD# )
      2.600     0.900     0.900 peak  2286 weight  0.20000E+01 volume  0.28798E-02 ppm1      2.441 ppm2      0.456 CV     1
 ASSI { 3567}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 52   and name HG  ))
      2.800     1.000     1.000 peak  3567 weight  0.20000E+01 volume  0.18311E-02 ppm1      2.442 ppm2      1.075 CV     1
 ASSI {  132}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
      2.400     0.700     0.700 peak   132 weight  0.20000E+01 volume  0.52324E-02 ppm1      5.130 ppm2      4.872 CV     1
 ASSI { 1019}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 32   and name HD# ))
      6.000     6.000     0.000 peak  1019 weight  0.20000E+01 volume  0.52650E-05 ppm1      0.493 ppm2      3.388 CV     1
 ASSI { 1149}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak  1149 weight  0.20000E+01 volume  0.30763E-02 ppm1      0.441 ppm2      5.124 CV     1
 ASSI { 1730}
   (( segid "    " and resid 32   and name HB# ))
   (  segid "    " and resid 52   and name HD# )
      2.800     0.900     0.900 peak  1730 weight  0.20000E+01 volume  0.21994E-02 ppm1      1.595 ppm2      0.465 CV     1
 ASSI {  355}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak   355 weight  0.20000E+01 volume  0.87496E-03 ppm1      4.866 ppm2      8.880 CV     1
 ASSI { 1025}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak  1025 weight  0.20000E+01 volume  0.92186E-03 ppm1      0.497 ppm2      8.896 CV     1
 ASSI { 2099}
   (( segid "    " and resid 52   and name HB# ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  2099 weight  0.20000E+01 volume  0.42094E-02 ppm1      1.266 ppm2      4.863 CV     1
 ASSI { 1150}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  1150 weight  0.20000E+01 volume  0.40076E-02 ppm1      0.441 ppm2      4.868 CV     1
 ASSI { 2094}
   (( segid "    " and resid 52   and name HB# ))
   (  segid "    " and resid 52   and name HD# )
      2.200     0.600     0.600 peak  2094 weight  0.20000E+01 volume  0.81859E-02 ppm1      1.340 ppm2      0.456 CV     1
 ASSI { 1410}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  1410 weight  0.20000E+01 volume  0.27509E-02 ppm1      1.070 ppm2      4.872 CV     1
 ASSI { 1011}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak  1011 weight  0.20000E+01 volume  0.79149E-02 ppm1      0.493 ppm2      1.075 CV     1
 ASSI { 1405}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD# )
      1.800     0.400     0.400 peak  1405 weight  0.20000E+01 volume  0.28246E-01 ppm1      1.089 ppm2      0.455 CV     1
 ASSI { 3596}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak  3596 weight  0.20000E+01 volume  0.28812E-03 ppm1      2.437 ppm2      4.814 CV     1
 ASSI { 3597}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 53   and name HA  ))
      3.700     1.700     1.700 peak  3597 weight  0.20000E+01 volume  0.39688E-03 ppm1      2.674 ppm2      4.818 CV     1
 ASSI {  722}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 33   and name HB  ))
      2.800     1.000     1.000 peak   722 weight  0.20000E+01 volume  0.19742E-02 ppm1      0.566 ppm2      1.740 CV     1
 ASSI {  863}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 53   and name HG# )
      2.100     0.600     0.600 peak   863 weight  0.20000E+01 volume  0.10383E-01 ppm1      0.588 ppm2      0.832 CV     1
 ASSI {  856}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 33   and name HN  ))
      4.000     2.000     2.000 peak   856 weight  0.20000E+01 volume  0.23727E-03 ppm1      0.859 ppm2      8.878 CV     1
 ASSI {  725}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 51   and name HB# ))
      2.900     1.100     1.100 peak   725 weight  0.20000E+01 volume  0.14647E-02 ppm1      0.566 ppm2      2.656 CV     1
 ASSI {  735}
   (  segid "    " and resid 53   and name HG# )
   (  segid "    " and resid 51   and name HD% )
      2.900     1.100     1.100 peak   735 weight  0.20000E+01 volume  0.14747E-02 ppm1      0.562 ppm2      7.073 CV     1
 ASSI {  837}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 51   and name HB# ))
      3.000     1.100     1.100 peak   837 weight  0.20000E+01 volume  0.12438E-02 ppm1      0.863 ppm2      2.651 CV     1
 ASSI { 2100}
   (( segid "    " and resid 52   and name HB# ))
   (( segid "    " and resid 53   and name HN  ))
      3.000     1.200     1.200 peak  2100 weight  0.20000E+01 volume  0.12238E-02 ppm1      1.337 ppm2      8.410 CV     1
 ASSI { 1023}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak  1023 weight  0.20000E+01 volume  0.18428E-02 ppm1      0.497 ppm2      8.402 CV     1
 ASSI { 1411}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak  1411 weight  0.20000E+01 volume  0.52026E-03 ppm1      1.070 ppm2      8.402 CV     1
 ASSI {  200}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB  ))
      2.400     0.700     0.700 peak   200 weight  0.20000E+01 volume  0.47340E-02 ppm1      4.820 ppm2      1.961 CV     1
 ASSI { 1850}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 53   and name HG# )
      2.100     0.500     0.500 peak  1850 weight  0.20000E+01 volume  0.11304E-01 ppm1      1.971 ppm2      0.874 CV     1
 ASSI {  203}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak   203 weight  0.20000E+01 volume  0.94645E-03 ppm1      4.814 ppm2      8.414 CV     1
 ASSI {  855}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   855 weight  0.20000E+01 volume  0.17853E-02 ppm1      0.859 ppm2      8.404 CV     1
 ASSI {   56}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak    56 weight  0.20000E+01 volume  0.47597E-02 ppm1      4.485 ppm2      4.896 CV     1
 ASSI { 1916}
   (( segid "    " and resid 30   and name HB# ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak  1916 weight  0.20000E+01 volume  0.70925E-03 ppm1      1.132 ppm2      4.493 CV     1
 ASSI { 2294}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 54   and name HA  ))
      3.100     1.200     1.200 peak  2294 weight  0.20000E+01 volume  0.98601E-03 ppm1      2.434 ppm2      4.486 CV     1
 ASSI { 1437}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 54   and name HA  ))
      2.700     0.900     0.900 peak  1437 weight  0.20000E+01 volume  0.25169E-02 ppm1      1.293 ppm2      4.486 CV     1
 ASSI { 2715}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     1.200     1.200 peak  2715 weight  0.20000E+01 volume  0.99252E-03 ppm1      2.546 ppm2      4.900 CV     1
 ASSI {   64}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.400     1.400 peak    64 weight  0.20000E+01 volume  0.62910E-03 ppm1      4.489 ppm2      9.137 CV     1
 ASSI {  202}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HD# ))
      2.100     0.600     0.600 peak   202 weight  0.20000E+01 volume  0.10549E-01 ppm1      4.824 ppm2      3.987 CV     1
 ASSI {  728}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 54   and name HD# ))
      3.200     1.300     1.300 peak   728 weight  0.20000E+01 volume  0.87703E-03 ppm1      0.562 ppm2      4.014 CV     1
 ASSI { 3085}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak  3085 weight  0.20000E+01 volume  0.46743E-02 ppm1      3.562 ppm2      4.817 CV     1
 ASSI { 1538}
   (( segid "    " and resid 54   and name HG# ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak  1538 weight  0.20000E+01 volume  0.11049E-02 ppm1      1.900 ppm2      4.826 CV     1
 ASSI { 3561}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HG# ))
      4.100     2.100     1.900 peak  3561 weight  0.20000E+01 volume  0.19148E-03 ppm1      4.828 ppm2      2.234 CV     1
 ASSI { 2714}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 54   and name HA  ))
      2.300     0.600     0.600 peak  2714 weight  0.20000E+01 volume  0.70884E-02 ppm1      2.546 ppm2      4.488 CV     1
 ASSI {   61}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB# ))
      2.400     0.700     0.700 peak    61 weight  0.20000E+01 volume  0.44792E-02 ppm1      4.479 ppm2      2.006 CV     1
 ASSI { 3526}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 54   and name HA  ))
      4.600     2.600     1.400 peak  3526 weight  0.20000E+01 volume  0.10177E-03 ppm1      4.013 ppm2      4.454 CV     1
 ASSI { 3531}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     2.400     1.600 peak  3531 weight  0.20000E+01 volume  0.12740E-03 ppm1      3.571 ppm2      4.482 CV     1
 ASSI {   60}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG# ))
      2.500     0.800     0.800 peak    60 weight  0.20000E+01 volume  0.38820E-02 ppm1      4.487 ppm2      1.926 CV     1
 ASSI { 2709}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 54   and name HG# ))
      2.200     0.600     0.600 peak  2709 weight  0.20000E+01 volume  0.95741E-02 ppm1      2.552 ppm2      1.900 CV     1
 ASSI { 1535}
   (( segid "    " and resid 54   and name HG# ))
   (( segid "    " and resid 54   and name HD# ))
      2.600     0.900     0.900 peak  1535 weight  0.20000E+01 volume  0.28417E-02 ppm1      1.896 ppm2      3.554 CV     1
 ASSI { 1818}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 54   and name HG# ))
      2.300     0.600     0.600 peak  1818 weight  0.20000E+01 volume  0.68593E-02 ppm1      2.008 ppm2      2.230 CV     1
 ASSI { 3082}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 54   and name HG# ))
      2.600     0.800     0.800 peak  3082 weight  0.20000E+01 volume  0.33456E-02 ppm1      4.003 ppm2      2.226 CV     1
 ASSI { 2813}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak  2813 weight  0.20000E+01 volume  0.11156E-02 ppm1      3.720 ppm2      4.680 CV     1
 ASSI { 2816}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 29   and name HB# ))
      3.800     1.800     1.800 peak  2816 weight  0.20000E+01 volume  0.31569E-03 ppm1      3.716 ppm2      2.657 CV     1
 ASSI { 2812}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  2812 weight  0.20000E+01 volume  0.12263E-02 ppm1      3.651 ppm2      4.673 CV     1
 ASSI { 2815}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     1.300     1.300 peak  2815 weight  0.20000E+01 volume  0.81947E-03 ppm1      3.641 ppm2      4.905 CV     1
 ASSI { 2820}
   (( segid "    " and resid 55   and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      2.400     0.700     0.700 peak  2820 weight  0.20000E+01 volume  0.50687E-02 ppm1      3.713 ppm2      0.394 CV     1
 ASSI { 2821}
   (( segid "    " and resid 55   and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      2.400     0.700     0.700 peak  2821 weight  0.20000E+01 volume  0.48199E-02 ppm1      3.648 ppm2      0.397 CV     1
 ASSI { 2499}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 56   and name HA  ))
      2.000     0.500     0.500 peak  2499 weight  0.20000E+01 volume  0.13012E-01 ppm1      2.789 ppm2      4.526 CV     1
 ASSI { 2500}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 56   and name HA  ))
      2.100     0.500     0.500 peak  2500 weight  0.20000E+01 volume  0.11524E-01 ppm1      2.685 ppm2      4.530 CV     1
 ASSI { 1332}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.300     1.300 peak  1332 weight  0.20000E+01 volume  0.78490E-03 ppm1      0.902 ppm2      4.831 CV     1
 ASSI { 1318}
   (  segid "    " and resid 57   and name HD# )
   (  segid "    " and resid 53   and name HG# )
      2.600     0.800     0.800 peak  1318 weight  0.20000E+01 volume  0.34093E-02 ppm1      0.906 ppm2      0.556 CV     1
 ASSI { 3076}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 57   and name HB# ))
      4.600     2.700     1.400 peak  3076 weight  0.20000E+01 volume  0.96220E-04 ppm1      3.551 ppm2      1.722 CV     1
 ASSI { 2146}
   (( segid "    " and resid 57   and name HB# ))
   (( segid "    " and resid 54   and name HB# ))
      3.000     1.100     1.100 peak  2146 weight  0.20000E+01 volume  0.12649E-02 ppm1      1.486 ppm2      2.546 CV     1
 ASSI { 3075}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 57   and name HB# ))
      2.900     1.000     1.000 peak  3075 weight  0.20000E+01 volume  0.17144E-02 ppm1      4.017 ppm2      1.462 CV     1
 ASSI { 3074}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 57   and name HB# ))
      3.500     1.500     1.500 peak  3074 weight  0.20000E+01 volume  0.52609E-03 ppm1      3.558 ppm2      1.488 CV     1
 ASSI { 3002}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB# ))
      2.400     0.700     0.700 peak  3002 weight  0.20000E+01 volume  0.51645E-02 ppm1      4.275 ppm2      1.713 CV     1
 ASSI { 3003}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB# ))
      2.300     0.700     0.700 peak  3003 weight  0.20000E+01 volume  0.57972E-02 ppm1      4.275 ppm2      1.485 CV     1
 ASSI { 1321}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 57   and name HB# ))
      2.100     0.500     0.500 peak  1321 weight  0.20000E+01 volume  0.11320E-01 ppm1      0.898 ppm2      1.696 CV     1
 ASSI { 2134}
   (( segid "    " and resid 57   and name HB# ))
   (  segid "    " and resid 57   and name HD# )
      2.300     0.700     0.700 peak  2134 weight  0.20000E+01 volume  0.61564E-02 ppm1      1.494 ppm2      0.869 CV     1
 ASSI { 1180}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 57   and name HA  ))
      2.000     0.500     0.500 peak  1180 weight  0.20000E+01 volume  0.12912E-01 ppm1      0.997 ppm2      4.270 CV     1
 ASSI { 1177}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 57   and name HB# ))
      2.500     0.800     0.800 peak  1177 weight  0.20000E+01 volume  0.39062E-02 ppm1      1.001 ppm2      1.682 CV     1
 ASSI { 1374}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 57   and name HB# ))
      2.500     0.800     0.800 peak  1374 weight  0.20000E+01 volume  0.36864E-02 ppm1      2.034 ppm2      1.729 CV     1
 ASSI { 1373}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 57   and name HB# ))
      3.000     1.100     1.100 peak  1373 weight  0.20000E+01 volume  0.13523E-02 ppm1      2.034 ppm2      1.485 CV     1
 ASSI { 1322}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 57   and name HG  ))
      1.800     0.400     0.400 peak  1322 weight  0.20000E+01 volume  0.25903E-01 ppm1      0.898 ppm2      2.030 CV     1
 ASSI { 2999}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak  2999 weight  0.20000E+01 volume  0.45903E-02 ppm1      4.275 ppm2      7.459 CV     1
 ASSI { 1335}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.100     1.100 peak  1335 weight  0.20000E+01 volume  0.14702E-02 ppm1      0.898 ppm2      7.460 CV     1
 ASSI { 3417}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 58   and name HA  ))
      2.000     0.500     0.500 peak  3417 weight  0.20000E+01 volume  0.14517E-01 ppm1      1.265 ppm2      4.981 CV     1
 ASSI { 3416}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 58   and name HB  ))
      2.000     0.500     0.500 peak  3416 weight  0.20000E+01 volume  0.13943E-01 ppm1      1.266 ppm2      4.821 CV     1
 ASSI { 2741}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak  2741 weight  0.20000E+01 volume  0.92705E-03 ppm1      2.397 ppm2      4.994 CV     1
 ASSI { 1170}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  1170 weight  0.20000E+01 volume  0.17365E-02 ppm1      0.958 ppm2      4.967 CV     1
 ASSI {    5}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 59   and name HG# )
      4.600     2.700     1.400 peak     5 weight  0.20000E+01 volume  0.98095E-04 ppm1      4.822 ppm2      0.951 CV     1
 ASSI { 2739}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2739 weight  0.20000E+01 volume  0.22192E-02 ppm1      2.397 ppm2      3.671 CV     1
 ASSI { 2213}
   (( segid "    " and resid 60   and name HA# ))
   (  segid "    " and resid 59   and name HG# )
      3.700     1.700     1.700 peak  2213 weight  0.20000E+01 volume  0.37125E-03 ppm1      3.944 ppm2      0.857 CV     1
 ASSI { 2911}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 57   and name HD# )
      2.800     1.000     1.000 peak  2911 weight  0.20000E+01 volume  0.18424E-02 ppm1      4.279 ppm2      0.997 CV     1
 ASSI { 2910}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 57   and name HG  ))
      3.700     1.700     1.700 peak  2910 weight  0.20000E+01 volume  0.38185E-03 ppm1      4.279 ppm2      2.016 CV     1
 ASSI { 1375}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 61   and name HB# ))
      2.600     0.800     0.800 peak  1375 weight  0.20000E+01 volume  0.32218E-02 ppm1      2.038 ppm2      2.536 CV     1
 ASSI { 3324}
   (( segid "    " and resid 61   and name HB# ))
   (  segid "    " and resid 57   and name HD# )
      2.700     0.900     0.900 peak  3324 weight  0.20000E+01 volume  0.24765E-02 ppm1      2.100 ppm2      1.001 CV     1
 ASSI { 2667}
   (( segid "    " and resid 61   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      3.000     1.100     1.100 peak  2667 weight  0.20000E+01 volume  0.14372E-02 ppm1      2.487 ppm2      0.883 CV     1
 ASSI { 2909}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB# ))
      2.100     0.500     0.500 peak  2909 weight  0.20000E+01 volume  0.11205E-01 ppm1      4.282 ppm2      2.099 CV     1
 ASSI { 2908}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG# ))
      1.900     0.400     0.400 peak  2908 weight  0.20000E+01 volume  0.22318E-01 ppm1      4.282 ppm2      2.490 CV     1
 ASSI { 2661}
   (( segid "    " and resid 61   and name HG# ))
   (( segid "    " and resid 61   and name HB# ))
      2.000     0.500     0.500 peak  2661 weight  0.20000E+01 volume  0.14996E-01 ppm1      2.484 ppm2      2.099 CV     1
 ASSI {  882}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 62   and name HD% )
      3.100     1.200     1.200 peak   882 weight  0.20000E+01 volume  0.10898E-02 ppm1      0.639 ppm2      6.910 CV     1
 ASSI {  880}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 62   and name HE% )
      2.600     0.900     0.900 peak   880 weight  0.20000E+01 volume  0.29011E-02 ppm1      0.639 ppm2      6.519 CV     1
 ASSI {  892}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 62   and name HZ  ))
      3.200     1.300     1.300 peak   892 weight  0.20000E+01 volume  0.88853E-03 ppm1      0.583 ppm2      6.231 CV     1
 ASSI {  947}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 62   and name HZ  ))
      3.300     1.400     1.400 peak   947 weight  0.20000E+01 volume  0.75303E-03 ppm1      0.893 ppm2      6.243 CV     1
 ASSI { 2366}
   (( segid "    " and resid 51   and name HB# ))
   (( segid "    " and resid 62   and name HZ  ))
      3.400     1.400     1.400 peak  2366 weight  0.20000E+01 volume  0.65611E-03 ppm1      2.830 ppm2      6.255 CV     1
 ASSI {  734}
   (  segid "    " and resid 53   and name HG# )
   (  segid "    " and resid 62   and name HD% )
      3.000     1.100     1.100 peak   734 weight  0.20000E+01 volume  0.12537E-02 ppm1      0.566 ppm2      6.893 CV     1
 ASSI {  732}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 62   and name HZ  ))
      3.800     1.800     1.800 peak   732 weight  0.20000E+01 volume  0.31687E-03 ppm1      0.566 ppm2      6.234 CV     1
 ASSI { 1331}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak  1331 weight  0.20000E+01 volume  0.45490E-02 ppm1      0.898 ppm2      4.459 CV     1
 ASSI { 1325}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 62   and name HB# ))
      2.600     0.900     0.900 peak  1325 weight  0.20000E+01 volume  0.27884E-02 ppm1      0.902 ppm2      3.144 CV     1
 ASSI { 1336}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  1336 weight  0.20000E+01 volume  0.24534E-02 ppm1      0.902 ppm2      8.857 CV     1
 ASSI { 2798}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB# ))
      2.500     0.800     0.800 peak  2798 weight  0.20000E+01 volume  0.36145E-02 ppm1      3.680 ppm2      3.129 CV     1
 ASSI { 2797}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB# ))
      2.500     0.800     0.800 peak  2797 weight  0.20000E+01 volume  0.42370E-02 ppm1      3.684 ppm2      3.267 CV     1
 ASSI { 2802}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      3.100     1.200     1.200 peak  2802 weight  0.20000E+01 volume  0.10043E-02 ppm1      3.687 ppm2      6.903 CV     1
 ASSI { 2913}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.100     1.100 peak  2913 weight  0.20000E+01 volume  0.15340E-02 ppm1      4.282 ppm2      8.871 CV     1
 ASSI {  121}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB# ))
      2.400     0.700     0.700 peak   121 weight  0.20000E+01 volume  0.50408E-02 ppm1      4.468 ppm2      3.148 CV     1
 ASSI {  125}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak   125 weight  0.20000E+01 volume  0.40538E-02 ppm1      4.469 ppm2      8.857 CV     1
 ASSI { 2215}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 63   and name HB# ))
      3.200     1.300     1.300 peak  2215 weight  0.20000E+01 volume  0.89131E-03 ppm1      3.939 ppm2      2.730 CV     1
 ASSI { 2214}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 63   and name HB# ))
      3.100     1.200     1.200 peak  2214 weight  0.20000E+01 volume  0.10063E-02 ppm1      4.087 ppm2      2.730 CV     1
 ASSI { 2222}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 63   and name HN  ))
      3.300     1.300     1.300 peak  2222 weight  0.20000E+01 volume  0.79037E-03 ppm1      4.076 ppm2      9.116 CV     1
 ASSI { 2914}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  2914 weight  0.20000E+01 volume  0.10111E-02 ppm1      4.282 ppm2      9.112 CV     1
 ASSI {   98}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB# ))
      2.400     0.700     0.700 peak    98 weight  0.20000E+01 volume  0.47227E-02 ppm1      3.942 ppm2      3.101 CV     1
 ASSI { 2613}
   (( segid "    " and resid 63   and name HB# ))
   (  segid "    " and resid 63   and name HE% )
      3.400     1.500     1.500 peak  2613 weight  0.20000E+01 volume  0.57547E-03 ppm1      2.736 ppm2      6.133 CV     1
 ASSI { 2576}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 61   and name HA  ))
      2.400     0.700     0.700 peak  2576 weight  0.20000E+01 volume  0.44396E-02 ppm1      3.284 ppm2      4.268 CV     1
 ASSI { 2575}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak  2575 weight  0.20000E+01 volume  0.36858E-02 ppm1      3.182 ppm2      4.272 CV     1
 ASSI { 2619}
   (( segid "    " and resid 63   and name HB# ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak  2619 weight  0.20000E+01 volume  0.16665E-02 ppm1      2.730 ppm2      4.029 CV     1
 ASSI { 3434}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 53   and name HA  ))
      4.700     2.700     1.300 peak  3434 weight  0.20000E+01 volume  0.91167E-04 ppm1      1.020 ppm2      4.816 CV     1
 ASSI { 2091}
   (( segid "    " and resid 65   and name HB# ))
   (  segid "    " and resid 62   and name HD% )
      3.100     1.200     1.200 peak  2091 weight  0.20000E+01 volume  0.10999E-02 ppm1      1.813 ppm2      6.898 CV     1
 ASSI { 2089}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak  2089 weight  0.20000E+01 volume  0.25388E-02 ppm1      1.637 ppm2      4.461 CV     1
 ASSI { 1213}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak  1213 weight  0.20000E+01 volume  0.50706E-02 ppm1      1.014 ppm2      4.435 CV     1
 ASSI { 2569}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 65   and name HB# ))
      3.900     1.900     1.900 peak  2569 weight  0.20000E+01 volume  0.26956E-03 ppm1      3.188 ppm2      1.789 CV     1
 ASSI { 2087}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 65   and name HA  ))
      2.300     0.600     0.600 peak  2087 weight  0.20000E+01 volume  0.71838E-02 ppm1      1.816 ppm2      3.933 CV     1
 ASSI { 2083}
   (( segid "    " and resid 65   and name HB# ))
   (  segid "    " and resid 65   and name HD# )
      2.300     0.600     0.600 peak  2083 weight  0.20000E+01 volume  0.68967E-02 ppm1      1.821 ppm2      1.010 CV     1
 ASSI { 2082}
   (( segid "    " and resid 65   and name HB# ))
   (  segid "    " and resid 65   and name HD# )
      2.500     0.800     0.800 peak  2082 weight  0.20000E+01 volume  0.42683E-02 ppm1      1.643 ppm2      1.018 CV     1
 ASSI { 1051}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak  1051 weight  0.20000E+01 volume  0.75516E-02 ppm1      0.840 ppm2      3.937 CV     1
 ASSI { 2084}
   (( segid "    " and resid 65   and name HB# ))
   (  segid "    " and resid 65   and name HD# )
      2.600     0.800     0.800 peak  2084 weight  0.20000E+01 volume  0.34662E-02 ppm1      1.815 ppm2      0.843 CV     1
 ASSI { 1047}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HB# ))
      2.200     0.600     0.600 peak  1047 weight  0.20000E+01 volume  0.91878E-02 ppm1      0.846 ppm2      1.632 CV     1
 ASSI { 1461}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak  1461 weight  0.20000E+01 volume  0.40805E-02 ppm1      1.801 ppm2      3.926 CV     1
 OR { 1461}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  902}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 66   and name HD# )
      2.400     0.700     0.700 peak   902 weight  0.20000E+01 volume  0.54766E-02 ppm1      0.824 ppm2     -0.129 CV     1
 ASSI { 1295}
   (  segid "    " and resid 46   and name HD# )
   (( segid "    " and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  1295 weight  0.20000E+01 volume  0.84794E-03 ppm1      0.902 ppm2      3.434 CV     1
 ASSI { 3307}
   (  segid "    " and resid 66   and name HD# )
   (  segid "    " and resid 62   and name HE% )
      2.600     0.800     0.800 peak  3307 weight  0.20000E+01 volume  0.31013E-02 ppm1     -0.123 ppm2      6.514 CV     1
 ASSI {  419}
   (  segid "    " and resid 66   and name HD# )
   (( segid "    " and resid 62   and name HZ  ))
      2.600     0.800     0.800 peak   419 weight  0.20000E+01 volume  0.31944E-02 ppm1     -0.119 ppm2      6.239 CV     1
 ASSI { 1939}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak  1939 weight  0.20000E+01 volume  0.24370E-02 ppm1      1.787 ppm2      3.941 CV     1
 ASSI { 2080}
   (( segid "    " and resid 65   and name HB# ))
   (  segid "    " and resid 66   and name HD# )
      3.100     1.200     1.200 peak  2080 weight  0.20000E+01 volume  0.10169E-02 ppm1      1.805 ppm2     -0.139 CV     1
 ASSI { 1045}
   (  segid "    " and resid 65   and name HD# )
   (  segid "    " and resid 66   and name HD# )
      2.500     0.800     0.800 peak  1045 weight  0.20000E+01 volume  0.43643E-02 ppm1      0.844 ppm2     -0.132 CV     1
 ASSI { 2925}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak  2925 weight  0.20000E+01 volume  0.13434E-02 ppm1      3.935 ppm2      7.819 CV     1
 ASSI { 1057}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  1057 weight  0.20000E+01 volume  0.93834E-03 ppm1      0.842 ppm2      7.819 CV     1
 ASSI { 1459}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak  1459 weight  0.20000E+01 volume  0.13531E-02 ppm1      1.788 ppm2      7.800 CV     1
 ASSI { 1932}
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 66   and name HD# )
      2.600     0.900     0.900 peak  1932 weight  0.20000E+01 volume  0.27865E-02 ppm1      1.793 ppm2     -0.126 CV     1
 ASSI { 1283}
   (( segid "    " and resid 66   and name HG1#))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak  1283 weight  0.20000E+01 volume  0.11394E-02 ppm1      0.437 ppm2      3.432 CV     1
 ASSI { 1277}
   (( segid "    " and resid 66   and name HG1#))
   (  segid "    " and resid 66   and name HD# )
      2.400     0.700     0.700 peak  1277 weight  0.20000E+01 volume  0.47048E-02 ppm1      0.437 ppm2     -0.129 CV     1
 ASSI {  413}
   (  segid "    " and resid 66   and name HD# )
   (  segid "    " and resid 66   and name HG# )
      1.800     0.400     0.400 peak   413 weight  0.20000E+01 volume  0.31716E-01 ppm1     -0.121 ppm2      0.368 CV     1
 ASSI { 2335}
   (( segid "    " and resid 67   and name HD# ))
   (  segid "    " and resid 63   and name HE% )
      3.500     1.600     1.600 peak  2335 weight  0.20000E+01 volume  0.49318E-03 ppm1      2.817 ppm2      6.148 CV     1
 ASSI { 2865}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 66   and name HG# )
      3.100     1.200     1.200 peak  2865 weight  0.20000E+01 volume  0.11242E-02 ppm1      3.397 ppm2      0.342 CV     1
 ASSI { 2869}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD# ))
      2.800     0.900     0.900 peak  2869 weight  0.20000E+01 volume  0.21936E-02 ppm1      3.401 ppm2      2.811 CV     1
 ASSI { 2330}
   (( segid "    " and resid 67   and name HD# ))
   (( segid "    " and resid 67   and name HG# ))
      2.200     0.600     0.600 peak  2330 weight  0.20000E+01 volume  0.88385E-02 ppm1      2.817 ppm2      1.173 CV     1
 ASSI { 1656}
   (( segid "    " and resid 67   and name HG# ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.100     1.100 peak  1656 weight  0.20000E+01 volume  0.16020E-02 ppm1      1.582 ppm2      3.399 CV     1
 ASSI { 2929}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HE# ))
      3.700     1.700     1.700 peak  2929 weight  0.20000E+01 volume  0.37887E-03 ppm1      3.942 ppm2      2.892 CV     1
 ASSI { 3457}
   (( segid "    " and resid 68   and name HE# ))
   (( segid "    " and resid 65   and name HB# ))
      2.800     1.000     1.000 peak  3457 weight  0.20000E+01 volume  0.19507E-02 ppm1      2.908 ppm2      1.837 CV     1
 ASSI { 2931}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HG# ))
      3.000     1.100     1.100 peak  2931 weight  0.20000E+01 volume  0.14220E-02 ppm1      3.942 ppm2      1.328 CV     1
 ASSI { 3444}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 68   and name HE# ))
      3.900     1.900     1.900 peak  3444 weight  0.20000E+01 volume  0.26124E-03 ppm1      1.756 ppm2      2.904 CV     1
 ASSI { 3454}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 68   and name HE# ))
      4.600     2.700     1.400 peak  3454 weight  0.20000E+01 volume  0.99271E-04 ppm1      1.753 ppm2      2.826 CV     1
 ASSI { 3448}
   (( segid "    " and resid 68   and name HE# ))
   (( segid "    " and resid 68   and name HD# ))
      2.600     0.900     0.900 peak  3448 weight  0.20000E+01 volume  0.27945E-02 ppm1      2.829 ppm2      1.590 CV     1
 ASSI { 3446}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 68   and name HG# ))
      2.100     0.600     0.600 peak  3446 weight  0.20000E+01 volume  0.10494E-01 ppm1      1.758 ppm2      1.327 CV     1
 ASSI { 1091}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 68   and name HE# ))
      2.800     1.000     1.000 peak  1091 weight  0.20000E+01 volume  0.19138E-02 ppm1      1.293 ppm2      2.848 CV     1
 ASSI { 1094}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak  1094 weight  0.20000E+01 volume  0.56760E-02 ppm1      1.364 ppm2      3.996 CV     1
 ASSI { 3361}
   (( segid "    " and resid 68   and name HE# ))
   (( segid "    " and resid 68   and name HG# ))
      2.600     0.800     0.800 peak  3361 weight  0.20000E+01 volume  0.32370E-02 ppm1      2.918 ppm2      1.377 CV     1
 ASSI { 3442}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  3442 weight  0.20000E+01 volume  0.23935E-03 ppm1      1.760 ppm2      7.334 CV     1
 ASSI { 2923}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 46   and name HD# )
      2.900     1.100     1.100 peak  2923 weight  0.20000E+01 volume  0.15253E-02 ppm1      3.999 ppm2      0.879 CV     1
 ASSI { 2306}
   (( segid "    " and resid 69   and name HD# ))
   (  segid "    " and resid 46   and name HD# )
      2.200     0.600     0.600 peak  2306 weight  0.20000E+01 volume  0.75265E-02 ppm1      3.296 ppm2      0.882 CV     1
 ASSI { 1539}
   (( segid "    " and resid 69   and name HG# ))
   (  segid "    " and resid 46   and name HD# )
      2.700     0.900     0.900 peak  1539 weight  0.20000E+01 volume  0.22967E-02 ppm1      1.694 ppm2      0.902 CV     1
 ASSI { 1529}
   (( segid "    " and resid 69   and name HG# ))
   (  segid "    " and resid 46   and name HD# )
      2.700     0.900     0.900 peak  1529 weight  0.20000E+01 volume  0.25827E-02 ppm1      1.909 ppm2      0.985 CV     1
 ASSI { 1540}
   (( segid "    " and resid 69   and name HG# ))
   (( segid "    " and resid 48   and name HD# ))
      3.000     1.100     1.100 peak  1540 weight  0.20000E+01 volume  0.13322E-02 ppm1      1.689 ppm2      1.357 CV     1
 ASSI { 2832}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      3.700     1.700     1.700 peak  2832 weight  0.20000E+01 volume  0.37853E-03 ppm1      3.433 ppm2      3.984 CV     1
 ASSI { 1681}
   (( segid "    " and resid 69   and name HB# ))
   (  segid "    " and resid 66   and name HG# )
      3.300     1.400     1.400 peak  1681 weight  0.20000E+01 volume  0.71984E-03 ppm1      1.836 ppm2      0.364 CV     1
 ASSI { 1679}
   (( segid "    " and resid 69   and name HB# ))
   (  segid "    " and resid 66   and name HD# )
      3.700     1.700     1.700 peak  1679 weight  0.20000E+01 volume  0.37548E-03 ppm1      1.935 ppm2     -0.136 CV     1
 ASSI { 1682}
   (( segid "    " and resid 69   and name HB# ))
   (  segid "    " and resid 66   and name HG# )
      4.000     2.000     2.000 peak  1682 weight  0.20000E+01 volume  0.24503E-03 ppm1      1.926 ppm2      0.377 CV     1
 ASSI { 2305}
   (( segid "    " and resid 69   and name HD# ))
   (  segid "    " and resid 66   and name HD# )
      2.700     0.900     0.900 peak  2305 weight  0.20000E+01 volume  0.24294E-02 ppm1      3.295 ppm2     -0.130 CV     1
 ASSI { 3392}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG# ))
      3.100     1.200     1.200 peak  3392 weight  0.20000E+01 volume  0.10877E-02 ppm1      3.436 ppm2      1.695 CV     1
 ASSI { 2833}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG# ))
      2.600     0.900     0.900 peak  2833 weight  0.20000E+01 volume  0.29198E-02 ppm1      3.433 ppm2      1.887 CV     1
 ASSI { 3391}
   (  segid "    " and resid 66   and name HD# )
   (( segid "    " and resid 69   and name HG# ))
      2.900     1.100     1.100 peak  3391 weight  0.20000E+01 volume  0.14635E-02 ppm1     -0.121 ppm2      1.887 CV     1
 ASSI { 1692}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HA  ))
      2.300     0.600     0.600 peak  1692 weight  0.20000E+01 volume  0.67945E-02 ppm1      1.836 ppm2      4.017 CV     1
 ASSI { 1693}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HA  ))
      2.300     0.700     0.700 peak  1693 weight  0.20000E+01 volume  0.65991E-02 ppm1      1.930 ppm2      4.017 CV     1
 ASSI { 2314}
   (( segid "    " and resid 69   and name HD# ))
   (( segid "    " and resid 69   and name HA  ))
      2.300     0.700     0.700 peak  2314 weight  0.20000E+01 volume  0.62287E-02 ppm1      3.292 ppm2      4.008 CV     1
 ASSI { 1686}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HG# ))
      2.100     0.500     0.500 peak  1686 weight  0.20000E+01 volume  0.11949E-01 ppm1      1.831 ppm2      1.703 CV     1
 ASSI { 1687}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HG# ))
      2.200     0.600     0.600 peak  1687 weight  0.20000E+01 volume  0.91537E-02 ppm1      1.930 ppm2      1.684 CV     1
 ASSI { 2311}
   (( segid "    " and resid 69   and name HD# ))
   (( segid "    " and resid 69   and name HG# ))
      1.700     0.400     0.500 peak  2311 weight  0.20000E+01 volume  0.33449E-01 ppm1      3.292 ppm2      1.689 CV     1
 ASSI { 2036}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 43   and name HD# )
      2.900     1.100     1.100 peak  2036 weight  0.20000E+01 volume  0.14615E-02 ppm1      1.744 ppm2      1.144 CV     1
 ASSI { 3369}
   (  segid "    " and resid 70   and name HD# )
   (( segid "    " and resid 43   and name HG1#))
      3.200     1.300     1.300 peak  3369 weight  0.20000E+01 volume  0.95054E-03 ppm1      0.458 ppm2      1.434 CV     1
 ASSI {  629}
   (  segid "    " and resid 43   and name HG# )
   (  segid "    " and resid 70   and name HG# )
      2.400     0.700     0.700 peak   629 weight  0.20000E+01 volume  0.50555E-02 ppm1      1.104 ppm2      0.753 CV     1
 ASSI { 2039}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 44   and name HA# ))
      3.100     1.200     1.200 peak  2039 weight  0.20000E+01 volume  0.11045E-02 ppm1      1.746 ppm2      3.859 CV     1
 ASSI {  606}
   (  segid "    " and resid 70   and name HG# )
   (( segid "    " and resid 44   and name HA# ))
      2.900     1.000     1.000 peak   606 weight  0.20000E+01 volume  0.17673E-02 ppm1      0.736 ppm2      3.853 CV     1
 ASSI {  608}
   (  segid "    " and resid 70   and name HG# )
   (( segid "    " and resid 44   and name HA# ))
      2.900     1.100     1.100 peak   608 weight  0.20000E+01 volume  0.15282E-02 ppm1      0.743 ppm2      4.089 CV     1
 ASSI { 2155}
   (( segid "    " and resid 46   and name HB# ))
   (  segid "    " and resid 70   and name HG# )
      2.800     1.000     1.000 peak  2155 weight  0.20000E+01 volume  0.21050E-02 ppm1      1.832 ppm2      0.737 CV     1
 ASSI {  694}
   (  segid "    " and resid 70   and name HG# )
   (  segid "    " and resid 66   and name HG# )
      2.400     0.700     0.700 peak   694 weight  0.20000E+01 volume  0.53859E-02 ppm1      0.743 ppm2      0.363 CV     1
 ASSI { 2038}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak  2038 weight  0.20000E+01 volume  0.10425E-02 ppm1      1.744 ppm2      3.401 CV     1
 ASSI { 1451}
   (( segid "    " and resid 70   and name HG1#))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak  1451 weight  0.20000E+01 volume  0.10601E-02 ppm1      1.337 ppm2      3.394 CV     1
 ASSI { 2862}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HG1#))
      2.400     0.700     0.700 peak  2862 weight  0.20000E+01 volume  0.52885E-02 ppm1      3.401 ppm2      0.920 CV     1
 ASSI { 3373}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 70   and name HG# )
      4.300     2.300     1.700 peak  3373 weight  0.20000E+01 volume  0.15809E-03 ppm1      3.396 ppm2      0.746 CV     1
 ASSI { 1684}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 70   and name HG1#))
      2.500     0.800     0.800 peak  1684 weight  0.20000E+01 volume  0.36926E-02 ppm1      1.935 ppm2      0.928 CV     1
 ASSI { 1683}
   (( segid "    " and resid 69   and name HB# ))
   (  segid "    " and resid 70   and name HG# )
      3.400     1.400     1.400 peak  1683 weight  0.20000E+01 volume  0.61593E-03 ppm1      1.930 ppm2      0.729 CV     1
 ASSI {  484}
   (  segid "    " and resid 70   and name HD# )
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   484 weight  0.20000E+01 volume  0.10944E-02 ppm1      0.456 ppm2      4.168 CV     1
 ASSI { 1452}
   (( segid "    " and resid 70   and name HG1#))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak  1452 weight  0.20000E+01 volume  0.15222E-02 ppm1      1.332 ppm2      4.163 CV     1
 ASSI { 2035}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HG1#))
      2.400     0.700     0.700 peak  2035 weight  0.20000E+01 volume  0.46507E-02 ppm1      1.744 ppm2      0.930 CV     1
 ASSI { 1399}
   (( segid "    " and resid 70   and name HG1#))
   (  segid "    " and resid 70   and name HD# )
      2.200     0.600     0.600 peak  1399 weight  0.20000E+01 volume  0.83432E-02 ppm1      0.953 ppm2      0.452 CV     1
 ASSI {  109}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HG# )
      2.200     0.600     0.600 peak   109 weight  0.20000E+01 volume  0.89158E-02 ppm1      4.162 ppm2      0.748 CV     1
 ASSI { 2985}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak  2985 weight  0.20000E+01 volume  0.66784E-02 ppm1      4.218 ppm2      4.009 CV     1
 ASSI {  113}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HD# ))
      3.400     1.400     1.400 peak   113 weight  0.20000E+01 volume  0.64925E-03 ppm1      4.164 ppm2      7.133 CV     1
 ASSI { 2794}
   (( segid "    " and resid 71   and name HB# ))
   (( segid "    " and resid 71   and name HA  ))
      2.200     0.600     0.600 peak  2794 weight  0.20000E+01 volume  0.93750E-02 ppm1      3.477 ppm2      4.210 CV     1
 ASSI { 2986}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD# ))
      3.400     1.400     1.400 peak  2986 weight  0.20000E+01 volume  0.63637E-03 ppm1      4.211 ppm2      7.122 CV     1
 ASSI { 2795}
   (( segid "    " and resid 71   and name HB# ))
   (( segid "    " and resid 71   and name HD# ))
      2.800     1.000     1.000 peak  2795 weight  0.20000E+01 volume  0.20952E-02 ppm1      3.477 ppm2      7.123 CV     1
 ASSI {  986}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 43   and name HB  ))
      3.100     1.200     1.200 peak   986 weight  0.20000E+01 volume  0.11395E-02 ppm1      0.902 ppm2      2.050 CV     1
 ASSI { 2129}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 67   and name HA  ))
      3.300     1.400     1.400 peak  2129 weight  0.20000E+01 volume  0.71424E-03 ppm1      1.686 ppm2      3.400 CV     1
 ASSI { 2127}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 67   and name HG# ))
      3.100     1.200     1.200 peak  2127 weight  0.20000E+01 volume  0.10362E-02 ppm1      1.689 ppm2      1.156 CV     1
 ASSI { 2126}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 67   and name HG# ))
      2.800     1.000     1.000 peak  2126 weight  0.20000E+01 volume  0.20514E-02 ppm1      1.381 ppm2      1.160 CV     1
 ASSI { 1302}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak  1302 weight  0.20000E+01 volume  0.42011E-02 ppm1      0.849 ppm2      4.488 CV     1
 ASSI {  325}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HD# )
      2.000     0.500     0.500 peak   325 weight  0.20000E+01 volume  0.14958E-01 ppm1      4.489 ppm2      0.888 CV     1
 ASSI { 2118}
   (( segid "    " and resid 72   and name HB# ))
   (  segid "    " and resid 72   and name HD# )
      2.100     0.500     0.500 peak  2118 weight  0.20000E+01 volume  0.12389E-01 ppm1      1.700 ppm2      0.871 CV     1
 ASSI { 1370}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 72   and name HD# )
      1.900     0.400     0.400 peak  1370 weight  0.20000E+01 volume  0.23681E-01 ppm1      1.704 ppm2      0.858 CV     1
 ASSI { 3048}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB# ))
      2.000     0.500     0.500 peak  3048 weight  0.20000E+01 volume  0.12950E-01 ppm1      4.365 ppm2      2.118 CV     1
 ASSI { 2324}
   (( segid "    " and resid 73   and name HD# ))
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.300     1.300 peak  2324 weight  0.20000E+01 volume  0.77340E-03 ppm1      3.286 ppm2      4.369 CV     1
 ASSI { 2322}
   (( segid "    " and resid 73   and name HD# ))
   (( segid "    " and resid 73   and name HB# ))
      2.300     0.700     0.700 peak  2322 weight  0.20000E+01 volume  0.58640E-02 ppm1      3.287 ppm2      2.113 CV     1
 ASSI { 2325}
   (( segid "    " and resid 73   and name HD# ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak  2325 weight  0.20000E+01 volume  0.17098E-02 ppm1      3.232 ppm2      4.356 CV     1
 ASSI { 1720}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 73   and name HD# ))
      2.400     0.700     0.700 peak  1720 weight  0.20000E+01 volume  0.48941E-02 ppm1      2.115 ppm2      3.248 CV     1
 ASSI { 2316}
   (( segid "    " and resid 73   and name HD# ))
   (( segid "    " and resid 73   and name HG# ))
      1.900     0.400     0.400 peak  2316 weight  0.20000E+01 volume  0.22250E-01 ppm1      3.235 ppm2      1.771 CV     1
 ASSI { 3475}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 67   and name HB# ))
      3.800     1.900     1.900 peak  3475 weight  0.20000E+01 volume  0.29296E-03 ppm1      3.863 ppm2      1.603 CV     1
 ASSI { 3044}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 67   and name HG# ))
      3.500     1.500     1.500 peak  3044 weight  0.20000E+01 volume  0.51645E-03 ppm1      3.859 ppm2      1.164 CV     1
 ASSI { 3476}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.400     1.400 peak  3476 weight  0.20000E+01 volume  0.62418E-03 ppm1      3.856 ppm2      4.100 CV     1
 ASSI {  646}
   (  segid "    " and resid 74   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
      2.800     0.900     0.900 peak   646 weight  0.20000E+01 volume  0.21961E-02 ppm1      1.390 ppm2      4.084 CV     1
 ASSI { 3345}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG# ))
      2.600     0.800     0.800 peak  3345 weight  0.20000E+01 volume  0.33882E-02 ppm1      4.092 ppm2      2.201 CV     1
 ASSI { 1303}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak  1303 weight  0.20000E+01 volume  0.54790E-03 ppm1      0.848 ppm2      4.616 CV     1
 ASSI {  994}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   994 weight  0.20000E+01 volume  0.18768E-02 ppm1      0.894 ppm2      4.628 CV     1
 ASSI { 2123}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 76   and name HB# ))
      2.600     0.800     0.800 peak  2123 weight  0.20000E+01 volume  0.30799E-02 ppm1      1.376 ppm2      2.769 CV     1
 ASSI {  987}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 76   and name HB# ))
      2.300     0.700     0.700 peak   987 weight  0.20000E+01 volume  0.59144E-02 ppm1      0.902 ppm2      2.742 CV     1
 ASSI {  318}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB# ))
      2.300     0.600     0.600 peak   318 weight  0.20000E+01 volume  0.69887E-02 ppm1      4.634 ppm2      2.735 CV     1
 ASSI {  317}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB# ))
      2.000     0.500     0.500 peak   317 weight  0.20000E+01 volume  0.13707E-01 ppm1      4.638 ppm2      2.845 CV     1
 ASSI { 3260}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak  3260 weight  0.20000E+01 volume  0.15426E-02 ppm1      4.036 ppm2      4.608 CV     1
 ASSI { 3386}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HB# ))
      4.400     2.400     1.600 peak  3386 weight  0.20000E+01 volume  0.12767E-03 ppm1      4.032 ppm2      2.753 CV     1
 ASSI {  315}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 77   and name HB% )
      3.200     1.300     1.300 peak   315 weight  0.20000E+01 volume  0.85542E-03 ppm1      4.638 ppm2      1.424 CV     1
 ASSI {  744}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 77   and name HA  ))
      1.800     0.400     0.400 peak   744 weight  0.20000E+01 volume  0.29447E-01 ppm1      1.431 ppm2      4.028 CV     1
 ASSI {  514}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.900     0.900 peak   514 weight  0.20000E+01 volume  0.28156E-02 ppm1      1.140 ppm2      4.542 CV     1
 ASSI { 1421}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.100     1.100 peak  1421 weight  0.20000E+01 volume  0.15480E-02 ppm1      0.456 ppm2      3.943 CV     1
 ASSI {  585}
   (  segid "    " and resid 66   and name HG# )
   (( segid "    " and resid 78   and name HB# ))
      3.200     1.300     1.300 peak   585 weight  0.20000E+01 volume  0.94278E-03 ppm1      0.367 ppm2      1.126 CV     1
 ASSI {  745}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak   745 weight  0.20000E+01 volume  0.13974E-02 ppm1      1.431 ppm2      4.529 CV     1
 ASSI { 2163}
   (( segid "    " and resid 78   and name HB# ))
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak  2163 weight  0.20000E+01 volume  0.50880E-02 ppm1      1.109 ppm2      4.552 CV     1
 ASSI { 1422}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak  1422 weight  0.20000E+01 volume  0.12433E-02 ppm1      0.459 ppm2      4.533 CV     1
 ASSI { 1104}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HA  ))
      2.100     0.600     0.600 peak  1104 weight  0.20000E+01 volume  0.10631E-01 ppm1      0.820 ppm2      4.531 CV     1
 ASSI { 1423}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 79   and name HA  ))
      4.800     2.800     1.200 peak  1423 weight  0.20000E+01 volume  0.80568E-04 ppm1      0.458 ppm2      4.688 CV     1
 ASSI {  241}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB# ))
      2.200     0.600     0.600 peak   241 weight  0.20000E+01 volume  0.81620E-02 ppm1      4.705 ppm2      2.524 CV     1
 ASSI {  240}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB# ))
      2.300     0.600     0.600 peak   240 weight  0.20000E+01 volume  0.72735E-02 ppm1      4.708 ppm2      2.612 CV     1
 ASSI { 3450}
   (( segid "    " and resid 80   and name HB# ))
   (  segid "    " and resid 59   and name HG# )
      3.300     1.400     1.400 peak  3450 weight  0.20000E+01 volume  0.74257E-03 ppm1      2.829 ppm2      0.861 CV     1
 ASSI { 1942}
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 80   and name HE% )
      2.900     1.100     1.100 peak  1942 weight  0.20000E+01 volume  0.14661E-02 ppm1      1.795 ppm2      6.672 CV     1
 ASSI { 1941}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 80   and name HZ  ))
      2.600     0.800     0.800 peak  1941 weight  0.20000E+01 volume  0.34647E-02 ppm1      1.793 ppm2      6.391 CV     1
 ASSI { 1293}
   (( segid "    " and resid 66   and name HG1#))
   (( segid "    " and resid 80   and name HZ  ))
      2.800     1.000     1.000 peak  1293 weight  0.20000E+01 volume  0.19549E-02 ppm1      0.695 ppm2      6.397 CV     1
 ASSI { 1426}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 80   and name HZ  ))
      2.900     1.000     1.000 peak  1426 weight  0.20000E+01 volume  0.17455E-02 ppm1      0.459 ppm2      6.408 CV     1
 ASSI { 3184}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB# ))
      2.400     0.700     0.700 peak  3184 weight  0.20000E+01 volume  0.48108E-02 ppm1      6.023 ppm2      2.907 CV     1
 ASSI {  689}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 81   and name HA  ))
      3.800     1.800     1.800 peak   689 weight  0.20000E+01 volume  0.34049E-03 ppm1      1.646 ppm2      5.077 CV     1
 ASSI { 3468}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 81   and name HN  ))
      4.000     2.000     2.000 peak  3468 weight  0.20000E+01 volume  0.22335E-03 ppm1      1.642 ppm2      9.093 CV     1
 ASSI { 3213}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB# ))
      2.300     0.700     0.700 peak  3213 weight  0.20000E+01 volume  0.58333E-02 ppm1      5.093 ppm2      2.630 CV     1
 ASSI { 3207}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 81   and name HE% )
      3.300     1.400     1.400 peak  3207 weight  0.20000E+01 volume  0.70294E-03 ppm1      5.088 ppm2      7.218 CV     1
 ASSI { 3209}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.900     0.900 peak  3209 weight  0.20000E+01 volume  0.28347E-02 ppm1      5.083 ppm2      9.095 CV     1
 ASSI {  555}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   555 weight  0.20000E+01 volume  0.24414E-02 ppm1      1.644 ppm2      4.543 CV     1
 ASSI {  814}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak   814 weight  0.20000E+01 volume  0.46581E-03 ppm1      0.827 ppm2      5.099 CV     1
 ASSI {  162}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB  ))
      2.300     0.600     0.600 peak   162 weight  0.20000E+01 volume  0.68461E-02 ppm1      4.545 ppm2      1.726 CV     1
 ASSI {  777}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak   777 weight  0.20000E+01 volume  0.76910E-02 ppm1      0.635 ppm2      4.539 CV     1
 ASSI {  767}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 82   and name HB  ))
      2.100     0.500     0.500 peak   767 weight  0.20000E+01 volume  0.11595E-01 ppm1      0.644 ppm2      1.689 CV     1
 ASSI { 3423}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 83   and name HA  ))
      3.500     1.500     1.500 peak  3423 weight  0.20000E+01 volume  0.50094E-03 ppm1      1.641 ppm2      4.332 CV     1
 ASSI { 3055}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 3    and name HG# ))
      2.700     0.900     0.900 peak  3055 weight  0.20000E+01 volume  0.27230E-02 ppm1      4.325 ppm2      2.160 CV     1
 ASSI {  771}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 83   and name HB# ))
      2.800     1.000     1.000 peak   771 weight  0.20000E+01 volume  0.20210E-02 ppm1      0.638 ppm2      2.709 CV     1
 ASSI { 3039}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 3    and name HE% )
      2.500     0.800     0.800 peak  3039 weight  0.20000E+01 volume  0.40139E-02 ppm1      4.039 ppm2      1.630 CV     1
 ASSI { 1790}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 84   and name HD22))
      3.700     1.700     1.700 peak  1790 weight  0.20000E+01 volume  0.38165E-03 ppm1      2.174 ppm2      7.413 CV     1
 ASSI { 2251}
   (( segid "    " and resid 81   and name HB# ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  2251 weight  0.20000E+01 volume  0.17993E-02 ppm1      2.643 ppm2      4.029 CV     1
 ASSI { 3034}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 81   and name HB# ))
      2.700     0.900     0.900 peak  3034 weight  0.20000E+01 volume  0.26743E-02 ppm1      4.031 ppm2      2.792 CV     1
 ASSI { 3329}
   (( segid "    " and resid 84   and name HB# ))
   (( segid "    " and resid 84   and name HA  ))
      2.300     0.700     0.700 peak  3329 weight  0.20000E+01 volume  0.67211E-02 ppm1      3.048 ppm2      4.027 CV     1
 ASSI { 3033}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB# ))
      2.000     0.500     0.500 peak  3033 weight  0.20000E+01 volume  0.12885E-01 ppm1      4.034 ppm2      3.014 CV     1
 ASSI { 3575}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 82   and name HG# )
      4.100     2.100     1.900 peak  3575 weight  0.20000E+01 volume  0.20492E-03 ppm1      2.210 ppm2      0.822 CV     1
 ASSI {  701}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 82   and name HB  ))
      3.200     1.300     1.300 peak   701 weight  0.20000E+01 volume  0.91112E-03 ppm1      0.975 ppm2      1.727 CV     1
 ASSI {  707}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 83   and name HA  ))
      4.100     2.100     1.900 peak   707 weight  0.20000E+01 volume  0.19557E-03 ppm1      0.982 ppm2      4.314 CV     1
 ASSI {  704}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 83   and name HB# ))
      2.700     0.900     0.900 peak   704 weight  0.20000E+01 volume  0.24859E-02 ppm1      0.978 ppm2      3.020 CV     1
 ASSI { 2633}
   (( segid "    " and resid 83   and name HB# ))
   (  segid "    " and resid 85   and name HG# )
      2.900     1.000     1.000 peak  2633 weight  0.20000E+01 volume  0.17394E-02 ppm1      2.689 ppm2      0.966 CV     1
 ASSI { 1953}{calib cd151}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak  1953 weight  0.20000E+01 volume  0.10836E-01 ppm1      2.205 ppm2      4.689 CV     1
 ASSI {  708}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 85   and name HA  ))
      2.200     0.600     0.600 peak   708 weight  0.20000E+01 volume  0.94991E-02 ppm1      0.979 ppm2      4.680 CV     1
 ASSI { 1954}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 85   and name HG# )
      1.800     0.400     0.400 peak  1954 weight  0.20000E+01 volume  0.32793E-01 ppm1      2.208 ppm2      0.968 CV     1
 ASSI {  786}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 85   and name HA  ))
      2.000     0.500     0.500 peak   786 weight  0.20000E+01 volume  0.13292E-01 ppm1      0.968 ppm2      4.691 CV     1
 ASSI {  788}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 85   and name HB  ))
      1.800     0.400     0.400 peak   788 weight  0.20000E+01 volume  0.27107E-01 ppm1      0.966 ppm2      2.185 CV     1
 ASSI {  457}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 79   and name HB# ))
      2.600     0.800     0.800 peak   457 weight  0.20000E+01 volume  0.31388E-02 ppm1      0.828 ppm2      2.589 CV     1
 ASSI {  527}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak   527 weight  0.20000E+01 volume  0.13131E-02 ppm1      1.159 ppm2      4.706 CV     1
 ASSI {  526}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 79   and name HB# ))
      3.400     1.500     1.500 peak   526 weight  0.20000E+01 volume  0.58316E-03 ppm1      1.161 ppm2      2.519 CV     1
 ASSI { 3206}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      2.300     0.700     0.700 peak  3206 weight  0.20000E+01 volume  0.60770E-02 ppm1      5.088 ppm2      5.215 CV     1
 ASSI { 3515}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 81   and name HA  ))
      5.200     3.400     0.800 peak  3515 weight  0.20000E+01 volume  0.45791E-04 ppm1      0.825 ppm2      5.069 CV     1
 ASSI { 3216}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 86   and name HG1#))
      3.000     1.100     1.100 peak  3216 weight  0.20000E+01 volume  0.14051E-02 ppm1      5.088 ppm2      1.554 CV     1
 ASSI { 1487}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 81   and name HZ  ))
      2.900     1.100     1.100 peak  1487 weight  0.20000E+01 volume  0.16063E-02 ppm1      0.803 ppm2      7.163 CV     1
 ASSI {  528}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 81   and name HA  ))
      2.800     1.000     1.000 peak   528 weight  0.20000E+01 volume  0.19198E-02 ppm1      1.159 ppm2      5.093 CV     1
 ASSI {  815}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 86   and name HA  ))
      3.400     1.400     1.400 peak   815 weight  0.20000E+01 volume  0.63540E-03 ppm1      0.826 ppm2      5.183 CV     1
 ASSI {  785}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 86   and name HA  ))
      3.300     1.400     1.400 peak   785 weight  0.20000E+01 volume  0.68618E-03 ppm1      0.971 ppm2      5.202 CV     1
 ASSI { 3602}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 85   and name HG# )
      3.700     1.700     1.700 peak  3602 weight  0.20000E+01 volume  0.38372E-03 ppm1      1.762 ppm2      0.952 CV     1
 ASSI { 1509}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 85   and name HA  ))
      3.200     1.300     1.300 peak  1509 weight  0.20000E+01 volume  0.81233E-03 ppm1      1.535 ppm2      4.679 CV     1
 ASSI {  461}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     1.000 peak   461 weight  0.20000E+01 volume  0.38790E-02 ppm1      0.827 ppm2      5.195 CV     1
 ASSI {  455}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 86   and name HB  ))
      2.000     0.500     0.700 peak   455 weight  0.20000E+01 volume  0.13001E-01 ppm1      0.825 ppm2      1.750 CV     1
 ASSI { 1506}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 86   and name HB  ))
      2.300     0.700     0.700 peak  1506 weight  0.20000E+01 volume  0.67666E-02 ppm1      1.535 ppm2      1.754 CV     1
 ASSI {  454}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 86   and name HG1#))
      1.900     0.400     0.600 peak   454 weight  0.20000E+01 volume  0.20939E-01 ppm1      0.825 ppm2      1.526 CV     1
 ASSI {  521}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 86   and name HB  ))
      1.900     0.500     0.500 peak   521 weight  0.20000E+01 volume  0.19610E-01 ppm1      1.160 ppm2      1.750 CV     1
 ASSI { 1162}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 87   and name HB# ))
      2.500     0.800     0.800 peak  1162 weight  0.20000E+01 volume  0.36602E-02 ppm1      0.958 ppm2      1.985 CV     1
 ASSI { 3453}
   (( segid "    " and resid 80   and name HB# ))
   (( segid "    " and resid 87   and name HB# ))
      3.000     1.100     1.100 peak  3453 weight  0.20000E+01 volume  0.12449E-02 ppm1      2.941 ppm2      1.970 CV     1
 ASSI { 2428}
   (( segid "    " and resid 80   and name HB# ))
   (( segid "    " and resid 87   and name HD# ))
      2.800     0.900     0.900 peak  2428 weight  0.20000E+01 volume  0.21856E-02 ppm1      2.929 ppm2      4.103 CV     1
 ASSI { 1346}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 80   and name HB# ))
      3.000     1.100     1.100 peak  1346 weight  0.20000E+01 volume  0.12971E-02 ppm1      1.754 ppm2      2.811 CV     1
 ASSI { 3156}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.900     0.900 peak  3156 weight  0.20000E+01 volume  0.27645E-02 ppm1      3.942 ppm2      5.087 CV     1
 ASSI { 1397}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak  1397 weight  0.20000E+01 volume  0.53024E-03 ppm1      2.137 ppm2      5.055 CV     1
 ASSI {  770}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 87   and name HB# ))
      3.000     1.100     1.100 peak   770 weight  0.20000E+01 volume  0.13375E-02 ppm1      0.638 ppm2      2.176 CV     1
 ASSI {  802}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 87   and name HB# ))
      2.700     0.900     0.900 peak   802 weight  0.20000E+01 volume  0.26403E-02 ppm1      0.824 ppm2      2.169 CV     1
 ASSI {  809}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 87   and name HB# ))
      3.500     1.500     1.500 peak   809 weight  0.20000E+01 volume  0.55470E-03 ppm1      0.829 ppm2      2.009 CV     1
 ASSI {  774}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 87   and name HD# ))
      3.000     1.100     1.100 peak   774 weight  0.20000E+01 volume  0.13216E-02 ppm1      0.641 ppm2      3.938 CV     1
 ASSI {  806}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 87   and name HD# ))
      3.200     1.300     1.300 peak   806 weight  0.20000E+01 volume  0.87800E-03 ppm1      0.829 ppm2      4.078 CV     1
 ASSI {  709}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak   709 weight  0.20000E+01 volume  0.13902E-02 ppm1      0.977 ppm2      4.834 CV     1
 ASSI {  784}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 87   and name HA  ))
      2.900     1.100     1.100 peak   784 weight  0.20000E+01 volume  0.14640E-02 ppm1      0.970 ppm2      4.842 CV     1
 ASSI { 3376}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      4.400     2.400     1.600 peak  3376 weight  0.20000E+01 volume  0.14036E-03 ppm1      4.852 ppm2      5.220 CV     1
 ASSI { 3599}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 87   and name HA  ))
      5.600     3.900     0.400 peak  3599 weight  0.20000E+01 volume  0.30620E-04 ppm1      1.156 ppm2      4.851 CV     1
 ASSI { 1507}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 87   and name HD# ))
      3.300     1.400     1.400 peak  1507 weight  0.20000E+01 volume  0.69636E-03 ppm1      1.535 ppm2      3.961 CV     1
 ASSI {  523}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 87   and name HD# ))
      2.400     0.700     0.700 peak   523 weight  0.20000E+01 volume  0.45756E-02 ppm1      1.159 ppm2      3.944 CV     1
 ASSI { 2044}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 87   and name HD# ))
      3.200     1.300     1.300 peak  2044 weight  0.20000E+01 volume  0.81808E-03 ppm1      1.757 ppm2      4.105 CV     1
 ASSI { 1345}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak  1345 weight  0.20000E+01 volume  0.12720E-02 ppm1      1.758 ppm2      5.201 CV     1
 ASSI { 1398}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak  1398 weight  0.20000E+01 volume  0.11062E-02 ppm1      2.133 ppm2      5.189 CV     1
 ASSI {  524}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 87   and name HG# ))
      3.100     1.200     1.200 peak   524 weight  0.20000E+01 volume  0.11252E-02 ppm1      1.160 ppm2      2.158 CV     1
 ASSI {  145}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB# ))
      2.000     0.500     0.500 peak   145 weight  0.20000E+01 volume  0.12958E-01 ppm1      4.853 ppm2      2.175 CV     1
 ASSI {  144}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB# ))
      2.400     0.700     0.700 peak   144 weight  0.20000E+01 volume  0.51079E-02 ppm1      4.853 ppm2      2.006 CV     1
 ASSI { 3467}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 87   and name HB# ))
      4.200     2.200     1.800 peak  3467 weight  0.20000E+01 volume  0.16550E-03 ppm1      3.952 ppm2      2.007 CV     1
 ASSI { 3377}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HD# ))
      3.700     1.700     1.700 peak  3377 weight  0.20000E+01 volume  0.39148E-03 ppm1      4.855 ppm2      4.096 CV     1
 ASSI { 1776}
   (( segid "    " and resid 87   and name HB# ))
   (( segid "    " and resid 87   and name HD# ))
      3.000     1.200     1.200 peak  1776 weight  0.20000E+01 volume  0.11901E-02 ppm1      2.003 ppm2      4.089 CV     1
 ASSI { 1340}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 87   and name HB# ))
      2.300     0.700     0.700 peak  1340 weight  0.20000E+01 volume  0.66527E-02 ppm1      1.754 ppm2      2.002 CV     1
 ASSI { 1396}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak  1396 weight  0.20000E+01 volume  0.14408E-02 ppm1      2.141 ppm2      4.856 CV     1
 ASSI {  146}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HD# ))
      2.300     0.600     0.600 peak   146 weight  0.20000E+01 volume  0.71648E-02 ppm1      4.850 ppm2      3.591 CV     1
 ASSI { 1781}
   (( segid "    " and resid 87   and name HB# ))
   (( segid "    " and resid 88   and name HD# ))
      3.100     1.200     1.200 peak  1781 weight  0.20000E+01 volume  0.10750E-02 ppm1      2.176 ppm2      3.570 CV     1
 ASSI { 1796}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 88   and name HA  ))
      2.100     0.600     0.600 peak  1796 weight  0.20000E+01 volume  0.97434E-02 ppm1      2.047 ppm2      4.725 CV     1
 ASSI {   89}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB# ))
      2.100     0.500     0.500 peak    89 weight  0.20000E+01 volume  0.12121E-01 ppm1      4.744 ppm2      2.443 CV     1
 ASSI { 3513}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD# ))
      4.000     2.000     2.000 peak  3513 weight  0.20000E+01 volume  0.24489E-03 ppm1      4.741 ppm2      3.972 CV     1
 ASSI { 1795}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 88   and name HD# ))
      2.700     0.900     0.900 peak  1795 weight  0.20000E+01 volume  0.23694E-02 ppm1      2.045 ppm2      3.961 CV     1
 ASSI { 1794}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 88   and name HD# ))
      2.900     1.000     1.000 peak  1794 weight  0.20000E+01 volume  0.17186E-02 ppm1      2.044 ppm2      3.588 CV     1
 ASSI {   15}
   (( segid "    " and resid 89   and name HB  ))
   (  segid "    " and resid 59   and name HG# )
      3.300     1.300     1.300 peak    15 weight  0.20000E+01 volume  0.77790E-03 ppm1      4.248 ppm2      0.864 CV     1
 ASSI {  926}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 59   and name HB  ))
      2.700     0.900     0.900 peak   926 weight  0.20000E+01 volume  0.27405E-02 ppm1      1.371 ppm2      2.400 CV     1
 ASSI {  923}
   (  segid "    " and resid 89   and name HG# )
   (  segid "    " and resid 59   and name HG# )
      2.200     0.600     0.600 peak   923 weight  0.20000E+01 volume  0.76370E-02 ppm1      1.375 ppm2      0.843 CV     1
 ASSI {  924}
   (  segid "    " and resid 89   and name HG# )
   (  segid "    " and resid 59   and name HG# )
      2.600     0.800     0.800 peak   924 weight  0.20000E+01 volume  0.31392E-02 ppm1      1.372 ppm2      0.940 CV     1
 ASSI { 2218}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 89   and name HB  ))
      2.400     0.700     0.700 peak  2218 weight  0.20000E+01 volume  0.50467E-02 ppm1      3.939 ppm2      4.241 CV     1
 ASSI {  930}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 60   and name HA# ))
      2.200     0.600     0.600 peak   930 weight  0.20000E+01 volume  0.74951E-02 ppm1      1.371 ppm2      4.072 CV     1
 ASSI {    9}
   (( segid "    " and resid 89   and name HB  ))
   (  segid "    " and resid 63   and name HD% )
      3.800     1.800     1.800 peak     9 weight  0.20000E+01 volume  0.33612E-03 ppm1      4.242 ppm2      6.317 CV     1
 ASSI {   10}
   (( segid "    " and resid 89   and name HB  ))
   (  segid "    " and resid 63   and name HE% )
      4.000     2.000     2.000 peak    10 weight  0.20000E+01 volume  0.22743E-03 ppm1      4.242 ppm2      6.131 CV     1
 ASSI {  927}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 63   and name HB# ))
      4.100     2.100     1.900 peak   927 weight  0.20000E+01 volume  0.20381E-03 ppm1      1.371 ppm2      2.749 CV     1
 ASSI {  934}
   (  segid "    " and resid 89   and name HG# )
   (  segid "    " and resid 63   and name HE% )
      2.200     0.600     0.600 peak   934 weight  0.20000E+01 volume  0.74319E-02 ppm1      1.375 ppm2      6.112 CV     1
 ASSI { 3464}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 89   and name HA  ))
      4.000     2.000     2.000 peak  3464 weight  0.20000E+01 volume  0.22356E-03 ppm1      2.454 ppm2      3.870 CV     1
 ASSI {  933}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.300     1.300 peak   933 weight  0.20000E+01 volume  0.76612E-03 ppm1      1.376 ppm2      4.733 CV     1
 ASSI {  929}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 89   and name HA  ))
      2.000     0.500     0.500 peak   929 weight  0.20000E+01 volume  0.16278E-01 ppm1      1.375 ppm2      3.879 CV     1
 ASSI {   14}
   (( segid "    " and resid 89   and name HB  ))
   (  segid "    " and resid 89   and name HG# )
      2.100     0.500     0.500 peak    14 weight  0.20000E+01 volume  0.12110E-01 ppm1      4.244 ppm2      1.369 CV     1
 ASSI {  232}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
      3.900     1.900     1.900 peak   232 weight  0.20000E+01 volume  0.28057E-03 ppm1      4.418 ppm2      4.989 CV     1
 ASSI {  231}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      3.000     1.100     1.100 peak   231 weight  0.20000E+01 volume  0.14017E-02 ppm1      4.427 ppm2      4.802 CV     1
 ASSI {  230}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 58   and name HG# )
      2.700     0.900     0.900 peak   230 weight  0.20000E+01 volume  0.23401E-02 ppm1      4.424 ppm2      1.260 CV     1
 ASSI {   51}
   (( segid "    " and resid 90   and name HB# ))
   (( segid "    " and resid 90   and name HA  ))
      2.200     0.600     0.600 peak    51 weight  0.20000E+01 volume  0.83440E-02 ppm1      3.895 ppm2      4.430 CV     1
 ASSI {  674}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak   674 weight  0.20000E+01 volume  0.10576E-02 ppm1      1.506 ppm2      9.130 CV     1
 ASSI {  673}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 87   and name HA  ))
      4.600     2.600     1.400 peak   673 weight  0.20000E+01 volume  0.17920E-02 ppm1      1.506 ppm2      4.862 CV     1
 ASSI { 3512}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 91   and name HB% )
      3.600     1.600     1.600 peak  3512 weight  0.20000E+01 volume  0.42855E-03 ppm1      4.741 ppm2      1.512 CV     1
 ASSI { 2738}
   (( segid "    " and resid 88   and name HB# ))
   (  segid "    " and resid 91   and name HB% )
      2.700     0.900     0.900 peak  2738 weight  0.20000E+01 volume  0.23078E-02 ppm1      2.457 ppm2      1.518 CV     1
 ASSI {  670}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 88   and name HD# ))
      2.500     0.800     0.800 peak   670 weight  0.20000E+01 volume  0.42975E-02 ppm1      1.506 ppm2      3.587 CV     1
 ASSI {  385}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HB% )
      1.800     0.400     0.400 peak   385 weight  0.20000E+01 volume  0.24245E-01 ppm1      4.511 ppm2      1.493 CV     1
 ASSI {  376}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 92   and name HB  ))
      2.500     0.800     0.800 peak   376 weight  0.20000E+01 volume  0.36019E-02 ppm1      4.537 ppm2      4.872 CV     1
 ASSI { 2501}
   (( segid "    " and resid 56   and name HB# ))
   (  segid "    " and resid 92   and name HG# )
      2.900     1.100     1.100 peak  2501 weight  0.20000E+01 volume  0.15962E-02 ppm1      2.787 ppm2      1.230 CV     1
 ASSI { 2502}
   (( segid "    " and resid 56   and name HB# ))
   (  segid "    " and resid 92   and name HG# )
      2.900     1.100     1.100 peak  2502 weight  0.20000E+01 volume  0.14737E-02 ppm1      2.681 ppm2      1.235 CV     1
 ASSI {  176}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 57   and name HD# )
      3.800     1.800     1.800 peak   176 weight  0.20000E+01 volume  0.33398E-03 ppm1      4.913 ppm2      0.962 CV     1
 ASSI { 3402}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 58   and name HA  ))
      2.300     0.700     0.700 peak  3402 weight  0.20000E+01 volume  0.64918E-02 ppm1      1.218 ppm2      4.962 CV     1
 ASSI {  180}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.500     1.500 peak   180 weight  0.20000E+01 volume  0.56432E-03 ppm1      4.910 ppm2      9.098 CV     1
 ASSI {    7}
   (( segid "    " and resid 92   and name HB  ))
   (  segid "    " and resid 92   and name HG# )
      2.100     0.500     0.500 peak     7 weight  0.20000E+01 volume  0.11932E-01 ppm1      4.881 ppm2      1.214 CV     1
 ASSI { 3009}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 33   and name HG# )
      4.500     2.500     1.500 peak  3009 weight  0.20000E+01 volume  0.12234E-03 ppm1      4.351 ppm2      0.580 CV     1
 ASSI {  860}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 93   and name HE% )
      2.200     0.600     0.600 peak   860 weight  0.20000E+01 volume  0.78809E-02 ppm1      0.639 ppm2      0.973 CV     1
 ASSI { 1852}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 93   and name HB# ))
      2.900     1.100     1.100 peak  1852 weight  0.20000E+01 volume  0.14579E-02 ppm1      1.976 ppm2      1.407 CV     1
 ASSI { 2861}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.400     1.400     1.400 peak  2861 weight  0.20000E+01 volume  0.62501E-03 ppm1      3.698 ppm2      9.337 CV     1
 ASSI {  378}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.700     1.700     1.700 peak   378 weight  0.20000E+01 volume  0.35150E-03 ppm1      4.541 ppm2      9.323 CV     1
 ASSI { 2143}
   (( segid "    " and resid 57   and name HB# ))
   (( segid "    " and resid 93   and name HG# ))
      3.000     1.100     1.100 peak  2143 weight  0.20000E+01 volume  0.12501E-02 ppm1      1.711 ppm2      2.194 CV     1
 ASSI { 2144}
   (( segid "    " and resid 57   and name HB# ))
   (( segid "    " and resid 93   and name HG# ))
      3.200     1.300     1.300 peak  2144 weight  0.20000E+01 volume  0.85127E-03 ppm1      1.714 ppm2      2.365 CV     1
 ASSI {  140}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak   140 weight  0.20000E+01 volume  0.22134E-02 ppm1      4.997 ppm2      9.346 CV     1
 ASSI {  495}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 62   and name HB# ))
      3.400     1.400     1.400 peak   495 weight  0.20000E+01 volume  0.62279E-03 ppm1      0.976 ppm2      3.257 CV     1
 ASSI {  502}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 62   and name HZ  ))
      3.600     1.600     1.600 peak   502 weight  0.20000E+01 volume  0.42154E-03 ppm1      0.972 ppm2      6.243 CV     1
 ASSI {  179}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HG# ))
      4.300     2.300     1.700 peak   179 weight  0.20000E+01 volume  0.16059E-03 ppm1      4.911 ppm2      2.379 CV     1
 ASSI {    8}
   (( segid "    " and resid 92   and name HB  ))
   (( segid "    " and resid 93   and name HN  ))
      2.400     0.700     0.700 peak     8 weight  0.20000E+01 volume  0.49246E-02 ppm1      4.879 ppm2      9.346 CV     1
 ASSI { 3399}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak  3399 weight  0.20000E+01 volume  0.18053E-02 ppm1      1.218 ppm2      9.349 CV     1
 ASSI { 3015}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB# ))
      2.500     0.800     0.800 peak  3015 weight  0.20000E+01 volume  0.37074E-02 ppm1      4.354 ppm2      1.969 CV     1
 ASSI {  497}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 93   and name HA  ))
      2.400     0.700     0.700 peak   497 weight  0.20000E+01 volume  0.48199E-02 ppm1      0.976 ppm2      4.343 CV     1
 ASSI { 1558}
   (( segid "    " and resid 93   and name HB# ))
   (( segid "    " and resid 93   and name HG# ))
      2.100     0.600     0.600 peak  1558 weight  0.20000E+01 volume  0.98688E-02 ppm1      1.973 ppm2      2.201 CV     1
 ASSI { 3021}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     0.900     0.900 peak  3021 weight  0.20000E+01 volume  0.28749E-02 ppm1      4.354 ppm2      9.344 CV     1
 ASSI { 1565}
   (( segid "    " and resid 93   and name HB# ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  1565 weight  0.20000E+01 volume  0.24459E-02 ppm1      1.978 ppm2      9.344 CV     1
 ASSI {  500}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 93   and name HN  ))
      3.000     1.100     1.100 peak   500 weight  0.20000E+01 volume  0.13675E-02 ppm1      0.976 ppm2      9.348 CV     1
 ASSI { 2724}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  2724 weight  0.20000E+01 volume  0.25677E-02 ppm1      2.177 ppm2      9.345 CV     1
 ASSI {  657}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 94   and name HA# ))
      2.600     0.900     0.900 peak   657 weight  0.20000E+01 volume  0.27993E-02 ppm1      0.407 ppm2      4.010 CV     1
 ASSI { 2856}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 94   and name HA# ))
      2.500     0.800     0.800 peak  2856 weight  0.20000E+01 volume  0.36995E-02 ppm1      3.695 ppm2      4.017 CV     1
 ASSI { 2810}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 94   and name HA# ))
      2.400     0.700     0.700 peak  2810 weight  0.20000E+01 volume  0.53152E-02 ppm1      3.716 ppm2      4.031 CV     1
 ASSI { 2811}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 94   and name HA# ))
      2.500     0.800     0.800 peak  2811 weight  0.20000E+01 volume  0.34819E-02 ppm1      3.655 ppm2      4.028 CV     1
 ASSI {  700}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 95   and name HA  ))
      4.300     2.300     1.700 peak   700 weight  0.20000E+01 volume  0.15691E-03 ppm1      1.505 ppm2      4.146 CV     1
 ASSI { 2777}
   (( segid "    " and resid 95   and name HB# ))
   (( segid "    " and resid 91   and name HA  ))
      3.300     1.400     1.400 peak  2777 weight  0.20000E+01 volume  0.74534E-03 ppm1      2.403 ppm2      4.520 CV     1
 ASSI { 3405}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 95   and name HG# ))
      3.700     1.700     1.700 peak  3405 weight  0.20000E+01 volume  0.39141E-03 ppm1      1.217 ppm2      2.469 CV     1
 ASSI { 2944}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB# ))
      1.900     0.500     0.500 peak  2944 weight  0.20000E+01 volume  0.18770E-01 ppm1      4.153 ppm2      2.358 CV     1
 ASSI { 2943}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB# ))
      2.000     0.500     0.500 peak  2943 weight  0.20000E+01 volume  0.13719E-01 ppm1      4.150 ppm2      2.136 CV     1
 ASSI { 2686}
   (( segid "    " and resid 95   and name HG# ))
   (( segid "    " and resid 95   and name HA  ))
      2.100     0.500     0.500 peak  2686 weight  0.20000E+01 volume  0.11810E-01 ppm1      2.493 ppm2      4.149 CV     1
 ASSI { 2685}
   (( segid "    " and resid 95   and name HG# ))
   (( segid "    " and resid 95   and name HB# ))
      1.900     0.500     0.500 peak  2685 weight  0.20000E+01 volume  0.20222E-01 ppm1      2.490 ppm2      2.121 CV     1
 ASSI {  768}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 96   and name HB# ))
      2.600     0.800     0.800 peak   768 weight  0.20000E+01 volume  0.31809E-02 ppm1      0.641 ppm2      1.828 CV     1
 ASSI { 3473}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 96   and name HB# ))
      3.400     1.400     1.400 peak  3473 weight  0.20000E+01 volume  0.61261E-03 ppm1      0.640 ppm2      1.606 CV     1
 ASSI { 3398}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 87   and name HB# ))
      2.800     1.000     1.000 peak  3398 weight  0.20000E+01 volume  0.18178E-02 ppm1      0.910 ppm2      1.994 CV     1
 ASSI { 1005}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 88   and name HD# ))
      4.200     2.200     1.800 peak  1005 weight  0.20000E+01 volume  0.17360E-03 ppm1      0.904 ppm2      3.591 CV     1
 ASSI {  699}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 96   and name HA  ))
      4.200     2.200     1.800 peak   699 weight  0.20000E+01 volume  0.17457E-03 ppm1      1.504 ppm2      4.241 CV     1
 ASSI {  999}
   (  segid "    " and resid 96   and name HD# )
   (  segid "    " and resid 91   and name HB% )
      2.400     0.700     0.700 peak   999 weight  0.20000E+01 volume  0.44436E-02 ppm1      0.898 ppm2      1.479 CV     1
 ASSI { 2108}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak  2108 weight  0.20000E+01 volume  0.37165E-02 ppm1      1.824 ppm2      4.351 CV     1
 ASSI { 3578}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  3578 weight  0.20000E+01 volume  0.18729E-02 ppm1      0.901 ppm2      4.342 CV     1
 ASSI { 3011}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 96   and name HD# )
      2.400     0.700     0.700 peak  3011 weight  0.20000E+01 volume  0.51792E-02 ppm1      4.354 ppm2      0.920 CV     1
 ASSI { 2107}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak  2107 weight  0.20000E+01 volume  0.51264E-02 ppm1      1.824 ppm2      4.251 CV     1
 ASSI { 1004}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 96   and name HA  ))
      2.100     0.600     0.600 peak  1004 weight  0.20000E+01 volume  0.10615E-01 ppm1      0.900 ppm2      4.255 CV     1
 ASSI { 2103}
   (( segid "    " and resid 96   and name HB# ))
   (  segid "    " and resid 96   and name HD# )
      2.000     0.500     0.500 peak  2103 weight  0.20000E+01 volume  0.17208E-01 ppm1      1.821 ppm2      0.908 CV     1
 ASSI { 1000}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 96   and name HB# ))
      2.200     0.600     0.600 peak  1000 weight  0.20000E+01 volume  0.78632E-02 ppm1      0.898 ppm2      1.613 CV     1
 ASSI {   71}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 31   and name HG# )
      3.500     1.500     1.500 peak    71 weight  0.20000E+01 volume  0.52560E-03 ppm1      3.852 ppm2      0.394 CV     1
 ASSI {  655}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 97   and name HB# ))
      2.500     0.800     0.800 peak   655 weight  0.20000E+01 volume  0.38187E-02 ppm1      0.408 ppm2      3.316 CV     1
 ASSI {  697}
   (  segid "    " and resid 31   and name HG# )
   (  segid "    " and resid 97   and name HE% )
      4.300     2.300     1.700 peak   697 weight  0.20000E+01 volume  0.15331E-03 ppm1      0.411 ppm2      6.796 CV     1
 ASSI {  829}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 97   and name HN  ))
      3.000     1.100     1.100 peak   829 weight  0.20000E+01 volume  0.13155E-02 ppm1      0.390 ppm2      9.004 CV     1
 ASSI {  663}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 97   and name HN  ))
      2.800     1.000     1.000 peak   663 weight  0.20000E+01 volume  0.18033E-02 ppm1      0.407 ppm2      9.018 CV     1
 ASSI { 3020}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      3.300     1.400     1.400 peak  3020 weight  0.20000E+01 volume  0.72095E-03 ppm1      4.354 ppm2      9.023 CV     1
 ASSI { 2205}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 97   and name HB# ))
      3.000     1.100     1.100 peak  2205 weight  0.20000E+01 volume  0.13462E-02 ppm1      3.713 ppm2      3.049 CV     1
 ASSI { 2204}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 97   and name HB# ))
      2.800     1.000     1.000 peak  2204 weight  0.20000E+01 volume  0.17902E-02 ppm1      4.030 ppm2      3.045 CV     1
 ASSI { 2211}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 97   and name HN  ))
      3.000     1.100     1.100 peak  2211 weight  0.20000E+01 volume  0.13686E-02 ppm1      3.716 ppm2      9.026 CV     1
 ASSI { 3250}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      3.000     1.100     1.100 peak  3250 weight  0.20000E+01 volume  0.13392E-02 ppm1      4.254 ppm2      9.013 CV     1
 ASSI { 2116}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 97   and name HN  ))
      2.700     0.900     0.900 peak  2116 weight  0.20000E+01 volume  0.25908E-02 ppm1      1.824 ppm2      9.021 CV     1
 ASSI { 2115}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 97   and name HN  ))
      2.700     0.900     0.900 peak  2115 weight  0.20000E+01 volume  0.22235E-02 ppm1      1.615 ppm2      9.017 CV     1
 ASSI { 1009}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 97   and name HN  ))
      3.200     1.300     1.300 peak  1009 weight  0.20000E+01 volume  0.91874E-03 ppm1      0.898 ppm2      9.011 CV     1
 ASSI { 1356}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 97   and name HN  ))
      3.000     1.100     1.100 peak  1356 weight  0.20000E+01 volume  0.12277E-02 ppm1      1.827 ppm2      9.011 CV     1
 ASSI { 2773}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 95   and name HA  ))
      2.300     0.700     0.700 peak  2773 weight  0.20000E+01 volume  0.59126E-02 ppm1      2.333 ppm2      4.143 CV     1
 ASSI { 2772}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 95   and name HA  ))
      2.300     0.600     0.600 peak  2772 weight  0.20000E+01 volume  0.68764E-02 ppm1      2.281 ppm2      4.131 CV     1
 ASSI { 2689}
   (( segid "    " and resid 98   and name HG# ))
   (( segid "    " and resid 95   and name HA  ))
      2.500     0.800     0.800 peak  2689 weight  0.20000E+01 volume  0.43888E-02 ppm1      2.588 ppm2      4.149 CV     1
 ASSI { 2886}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 97   and name HD% )
      2.200     0.600     0.600 peak  2886 weight  0.20000E+01 volume  0.82904E-02 ppm1      4.057 ppm2      6.952 CV     1
 ASSI { 2884}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB# ))
      1.900     0.500     0.500 peak  2884 weight  0.20000E+01 volume  0.18064E-01 ppm1      4.060 ppm2      2.310 CV     1
 ASSI { 2768}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 98   and name HG# ))
      2.100     0.500     0.500 peak  2768 weight  0.20000E+01 volume  0.12428E-01 ppm1      2.329 ppm2      2.575 CV     1
 ASSI { 2690}
   (( segid "    " and resid 98   and name HG# ))
   (( segid "    " and resid 98   and name HA  ))
      2.200     0.600     0.600 peak  2690 weight  0.20000E+01 volume  0.89229E-02 ppm1      2.594 ppm2      4.035 CV     1
 ASSI { 2688}
   (( segid "    " and resid 98   and name HG# ))
   (( segid "    " and resid 98   and name HB# ))
      1.800     0.400     0.400 peak  2688 weight  0.20000E+01 volume  0.29692E-01 ppm1      2.591 ppm2      2.305 CV     1
 ASSI { 2769}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 98   and name HG# ))
      2.100     0.500     0.500 peak  2769 weight  0.20000E+01 volume  0.12716E-01 ppm1      2.282 ppm2      2.583 CV     1
 ASSI { 3577}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 99   and name HB# ))
      4.300     2.300     1.700 peak  3577 weight  0.20000E+01 volume  0.15220E-03 ppm1      4.149 ppm2      1.798 CV     1
 ASSI { 1713}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 96   and name HA  ))
      2.800     1.000     1.000 peak  1713 weight  0.20000E+01 volume  0.21663E-02 ppm1      1.819 ppm2      4.254 CV     1
 ASSI { 1968}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.400     1.400 peak  1968 weight  0.20000E+01 volume  0.72574E-03 ppm1      2.057 ppm2      4.256 CV     1
 ASSI { 1816}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 99   and name HA  ))
      2.000     0.500     0.500 peak  1816 weight  0.20000E+01 volume  0.12979E-01 ppm1      1.491 ppm2      3.985 CV     1
 ASSI { 1715}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 99   and name HG# ))
      2.200     0.600     0.600 peak  1715 weight  0.20000E+01 volume  0.82085E-02 ppm1      1.814 ppm2      2.050 CV     1
 ASSI { 1966}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 99   and name HA  ))
      2.300     0.700     0.700 peak  1966 weight  0.20000E+01 volume  0.58581E-02 ppm1      1.600 ppm2      3.985 CV     1
 ASSI { 1965}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 99   and name HB# ))
      2.000     0.500     0.500 peak  1965 weight  0.20000E+01 volume  0.14554E-01 ppm1      1.594 ppm2      1.470 CV     1
 ASSI { 1963}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 99   and name HB# ))
      2.000     0.500     0.500 peak  1963 weight  0.20000E+01 volume  0.13808E-01 ppm1      1.594 ppm2      1.814 CV     1
 ASSI {  265}
   (( segid "    " and resid 100  and name HA  ))
   (  segid "    " and resid 82   and name HG# )
      4.100     2.100     1.900 peak   265 weight  0.20000E+01 volume  0.20014E-03 ppm1      4.775 ppm2      0.641 CV     1
 ASSI {  772}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 100  and name HB# ))
      2.400     0.700     0.700 peak   772 weight  0.20000E+01 volume  0.48879E-02 ppm1      0.635 ppm2      2.810 CV     1
 ASSI {  773}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 100  and name HB# ))
      2.300     0.700     0.700 peak   773 weight  0.20000E+01 volume  0.59306E-02 ppm1      0.644 ppm2      3.053 CV     1
 ASSI {  804}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 100  and name HB# ))
      2.700     0.900     0.900 peak   804 weight  0.20000E+01 volume  0.27319E-02 ppm1      0.831 ppm2      3.066 CV     1
 ASSI {  780}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 100  and name HD# ))
      2.600     0.800     0.800 peak   780 weight  0.20000E+01 volume  0.33864E-02 ppm1      0.639 ppm2      6.951 CV     1
 ASSI {  811}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 100  and name HD# ))
      3.100     1.200     1.200 peak   811 weight  0.20000E+01 volume  0.11497E-02 ppm1      0.828 ppm2      6.947 CV     1
 ASSI {  781}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 100  and name HE# ))
      3.400     1.500     1.500 peak   781 weight  0.20000E+01 volume  0.60623E-03 ppm1      0.635 ppm2      7.774 CV     1
 ASSI { 2638}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 100  and name HE# ))
      3.100     1.200     1.200 peak  2638 weight  0.20000E+01 volume  0.11174E-02 ppm1      3.007 ppm2      7.775 CV     1
 ASSI { 2637}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 100  and name HE# ))
      3.200     1.300     1.300 peak  2637 weight  0.20000E+01 volume  0.87558E-03 ppm1      2.695 ppm2      7.805 CV     1
 ASSI {  710}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 100  and name HE# ))
      2.700     0.900     0.900 peak   710 weight  0.20000E+01 volume  0.24690E-02 ppm1      0.980 ppm2      7.782 CV     1
 ASSI { 2112}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 100  and name HD# ))
      2.900     1.000     1.000 peak  2112 weight  0.20000E+01 volume  0.16465E-02 ppm1      1.819 ppm2      6.948 CV     1
 ASSI { 2111}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 100  and name HD# ))
      2.800     1.000     1.000 peak  2111 weight  0.20000E+01 volume  0.18362E-02 ppm1      1.615 ppm2      6.948 CV     1
 ASSI { 1007}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 100  and name HD# ))
      2.300     0.700     0.700 peak  1007 weight  0.20000E+01 volume  0.63079E-02 ppm1      0.898 ppm2      6.950 CV     1
 ASSI { 1202}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 100  and name HD# ))
      2.400     0.700     0.700 peak  1202 weight  0.20000E+01 volume  0.51615E-02 ppm1      0.910 ppm2      6.940 CV     1
 ASSI { 3285}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 100  and name HB# ))
      4.200     2.200     1.800 peak  3285 weight  0.20000E+01 volume  0.17956E-03 ppm1      3.853 ppm2      2.794 CV     1
 ASSI { 2887}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      3.500     1.500     1.500 peak  2887 weight  0.20000E+01 volume  0.50342E-03 ppm1      4.057 ppm2      8.139 CV     1
 ASSI { 2924}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 100  and name HD# ))
      3.100     1.200     1.200 peak  2924 weight  0.20000E+01 volume  0.10661E-02 ppm1      3.981 ppm2      6.939 CV     1
 ASSI { 1711}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 100  and name HD# ))
      2.600     0.800     0.800 peak  1711 weight  0.20000E+01 volume  0.33825E-02 ppm1      1.487 ppm2      6.977 CV     1
 ASSI { 1712}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 100  and name HD# ))
      2.600     0.800     0.800 peak  1712 weight  0.20000E+01 volume  0.34622E-02 ppm1      1.813 ppm2      6.950 CV     1
 ASSI { 1970}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 100  and name HD# ))
      3.100     1.200     1.200 peak  1970 weight  0.20000E+01 volume  0.10263E-02 ppm1      2.065 ppm2      6.928 CV     1
 ASSI { 1969}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 100  and name HD# ))
      3.100     1.200     1.200 peak  1969 weight  0.20000E+01 volume  0.10533E-02 ppm1      1.592 ppm2      6.957 CV     1
 ASSI { 2698}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 100  and name HA  ))
      2.400     0.700     0.700 peak  2698 weight  0.20000E+01 volume  0.47598E-02 ppm1      2.805 ppm2      4.769 CV     1
 ASSI {  268}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB# ))
      2.200     0.600     0.600 peak   268 weight  0.20000E+01 volume  0.77501E-02 ppm1      4.774 ppm2      3.078 CV     1
 ASSI {  269}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HD# ))
      3.900     1.900     1.900 peak   269 weight  0.20000E+01 volume  0.26719E-03 ppm1      4.782 ppm2      6.946 CV     1
 ASSI { 2701}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 100  and name HD# ))
      2.700     0.900     0.900 peak  2701 weight  0.20000E+01 volume  0.24089E-02 ppm1      3.078 ppm2      6.944 CV     1
 ASSI {  776}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 101  and name HA  ))
      3.800     1.800     1.800 peak   776 weight  0.20000E+01 volume  0.29498E-03 ppm1      0.639 ppm2      4.281 CV     1
 ASSI { 1387}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 97   and name HA  ))
      3.200     1.300     1.300 peak  1387 weight  0.20000E+01 volume  0.87170E-03 ppm1      2.266 ppm2      3.863 CV     1
 ASSI { 1388}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 97   and name HA  ))
      3.400     1.400     1.400 peak  1388 weight  0.20000E+01 volume  0.63658E-03 ppm1      2.064 ppm2      3.870 CV     1
 ASSI { 2958}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB# ))
      2.200     0.600     0.600 peak  2958 weight  0.20000E+01 volume  0.74240E-02 ppm1      4.265 ppm2      2.256 CV     1
 ASSI { 1379}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 101  and name HA  ))
      2.300     0.700     0.700 peak  1379 weight  0.20000E+01 volume  0.63757E-02 ppm1      2.077 ppm2      4.256 CV     1
 ASSI { 3331}
   (( segid "    " and resid 102  and name HG# ))
   (( segid "    " and resid 101  and name HD# ))
      4.200     2.200     1.800 peak  3331 weight  0.20000E+01 volume  0.18663E-03 ppm1      3.049 ppm2      6.959 CV     1
 ASSI { 2750}
   (( segid "    " and resid 102  and name HB# ))
   (( segid "    " and resid 102  and name HA  ))
      2.400     0.700     0.700 peak  2750 weight  0.20000E+01 volume  0.46263E-02 ppm1      2.719 ppm2      4.660 CV     1
 ASSI {  272}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HG# ))
      2.900     1.100     1.100 peak   272 weight  0.20000E+01 volume  0.15597E-02 ppm1      4.656 ppm2      3.049 CV     1
 ASSI {  270}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HG# ))
      2.200     0.600     0.600 peak   270 weight  0.20000E+01 volume  0.95603E-02 ppm1      4.656 ppm2      2.430 CV     1
 ASSI { 2938}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 13   and name HZ  ))
      3.000     1.100     1.100 peak  2938 weight  0.20000E+01 volume  0.13891E-02 ppm1      4.085 ppm2      7.299 CV     1
 ASSI { 2758}
   (( segid "    " and resid 103  and name HB# ))
   (  segid "    " and resid 13   and name HE% )
      2.600     0.800     0.800 peak  2758 weight  0.20000E+01 volume  0.33363E-02 ppm1      2.368 ppm2      7.154 CV     1
 ASSI { 2641}
   (( segid "    " and resid 103  and name HG# ))
   (  segid "    " and resid 13   and name HE% )
      2.600     0.900     0.900 peak  2641 weight  0.20000E+01 volume  0.30106E-02 ppm1      2.433 ppm2      7.156 CV     1
 ASSI { 2642}
   (( segid "    " and resid 103  and name HG# ))
   (( segid "    " and resid 13   and name HZ  ))
      2.600     0.800     0.800 peak  2642 weight  0.20000E+01 volume  0.30983E-02 ppm1      2.436 ppm2      7.303 CV     1
 ASSI { 2270}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 103  and name HG# ))
      3.400     1.500     1.500 peak  2270 weight  0.20000E+01 volume  0.59841E-03 ppm1      3.125 ppm2      2.421 CV     1
 ASSI { 2269}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 103  and name HG# ))
      3.900     1.900     1.900 peak  2269 weight  0.20000E+01 volume  0.26796E-03 ppm1      3.356 ppm2      2.409 CV     1
 ASSI { 2939}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 102  and name HA  ))
      3.400     1.500     1.500 peak  2939 weight  0.20000E+01 volume  0.60298E-03 ppm1      4.093 ppm2      4.659 CV     1
 ASSI { 2942}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB# ))
      2.200     0.600     0.600 peak  2942 weight  0.20000E+01 volume  0.92671E-02 ppm1      4.089 ppm2      2.176 CV     1
 ASSI { 2640}
   (( segid "    " and resid 103  and name HG# ))
   (( segid "    " and resid 103  and name HA  ))
      2.000     0.500     0.500 peak  2640 weight  0.20000E+01 volume  0.13782E-01 ppm1      2.433 ppm2      4.090 CV     1
 ASSI { 2639}
   (( segid "    " and resid 103  and name HG# ))
   (( segid "    " and resid 103  and name HB# ))
      1.800     0.400     0.400 peak  2639 weight  0.20000E+01 volume  0.24381E-01 ppm1      2.433 ppm2      2.179 CV     1
 ASSI { 3058}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 17   and name HB# ))
      2.600     0.800     0.800 peak  3058 weight  0.20000E+01 volume  0.30983E-02 ppm1      4.143 ppm2      0.907 CV     1
 ASSI { 2273}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 104  and name HA  ))
      3.000     1.100     1.100 peak  2273 weight  0.20000E+01 volume  0.14255E-02 ppm1      3.125 ppm2      4.126 CV     1
 ASSI { 2274}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 104  and name HA  ))
      2.900     1.100     1.100 peak  2274 weight  0.20000E+01 volume  0.15272E-02 ppm1      3.353 ppm2      4.122 CV     1
 ASSI { 3060}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 17   and name HG# ))
      2.500     0.800     0.800 peak  3060 weight  0.20000E+01 volume  0.43322E-02 ppm1      4.135 ppm2      1.819 CV     1
 ASSI {  214}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 104  and name HB# ))
      3.100     1.200     1.200 peak   214 weight  0.20000E+01 volume  0.10268E-02 ppm1      4.447 ppm2      2.426 CV     1
 ASSI { 2850}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 20   and name HA# ))
      3.000     1.100     1.100 peak  2850 weight  0.20000E+01 volume  0.13485E-02 ppm1      3.598 ppm2      3.084 CV     1
 ASSI { 2196}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 105  and name HB# ))
      2.500     0.800     0.800 peak  2196 weight  0.20000E+01 volume  0.34850E-02 ppm1      3.086 ppm2      3.477 CV     1
 ASSI { 2195}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 105  and name HB# ))
      2.500     0.800     0.800 peak  2195 weight  0.20000E+01 volume  0.40211E-02 ppm1      4.087 ppm2      3.477 CV     1
 ASSI { 2193}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 105  and name HB# ))
      2.600     0.900     0.900 peak  2193 weight  0.20000E+01 volume  0.28238E-02 ppm1      3.086 ppm2      2.944 CV     1
 ASSI { 2673}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak  2673 weight  0.20000E+01 volume  0.12360E-02 ppm1      2.942 ppm2      3.198 CV     1
 ASSI { 2852}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 101  and name HD# ))
      2.700     0.900     0.900 peak  2852 weight  0.20000E+01 volume  0.22436E-02 ppm1      3.598 ppm2      6.952 CV     1
 ASSI { 2676}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 105  and name HA  ))
      2.200     0.600     0.600 peak  2676 weight  0.20000E+01 volume  0.84274E-02 ppm1      3.486 ppm2      3.594 CV     1
 ASSI { 2681}
   (( segid "    " and resid 105  and name HB# ))
   (  segid "    " and resid 105  and name HD% )
      2.700     0.900     0.900 peak  2681 weight  0.20000E+01 volume  0.25055E-02 ppm1      3.480 ppm2      7.087 CV     1
 ASSI { 2755}
   (( segid "    " and resid 19   and name HB# ))
   (( segid "    " and resid 106  and name HZ  ))
      2.700     0.900     0.900 peak  2755 weight  0.20000E+01 volume  0.24378E-02 ppm1      2.359 ppm2      6.927 CV     1
 ASSI { 2656}
   (( segid "    " and resid 19   and name HG# ))
   (( segid "    " and resid 106  and name HZ  ))
      2.700     0.900     0.900 peak  2656 weight  0.20000E+01 volume  0.24540E-02 ppm1      2.463 ppm2      6.923 CV     1
 ASSI { 2201}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 106  and name HZ  ))
      3.200     1.300     1.300 peak  2201 weight  0.20000E+01 volume  0.88604E-03 ppm1      3.081 ppm2      6.909 CV     1
 ASSI {  476}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 106  and name HZ  ))
      2.400     0.700     0.700 peak   476 weight  0.20000E+01 volume  0.47878E-02 ppm1      0.883 ppm2      6.936 CV     1
 ASSI { 3573}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 106  and name HZ  ))
      4.300     2.300     1.700 peak  3573 weight  0.20000E+01 volume  0.15393E-03 ppm1      0.868 ppm2      6.915 CV     1
 ASSI { 2457}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 106  and name HA  ))
      3.500     1.500     1.500 peak  2457 weight  0.20000E+01 volume  0.55130E-03 ppm1      3.243 ppm2      4.787 CV     1
 ASSI { 2787}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 106  and name HA  ))
      2.700     0.900     0.900 peak  2787 weight  0.20000E+01 volume  0.25685E-02 ppm1      2.528 ppm2      4.777 CV     1
 ASSI { 1275}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 106  and name HA  ))
      3.100     1.200     1.200 peak  1275 weight  0.20000E+01 volume  0.10514E-02 ppm1      1.431 ppm2      4.764 CV     1
 ASSI { 1741}
   (( segid "    " and resid 32   and name HB# ))
   (( segid "    " and resid 106  and name HZ  ))
      2.900     1.000     1.000 peak  1741 weight  0.20000E+01 volume  0.17237E-02 ppm1      1.883 ppm2      6.903 CV     1
 ASSI { 1743}
   (( segid "    " and resid 32   and name HB# ))
   (( segid "    " and resid 106  and name HZ  ))
      3.300     1.400     1.400 peak  1743 weight  0.20000E+01 volume  0.74375E-03 ppm1      1.599 ppm2      6.910 CV     1
 ASSI {  571}
   (  segid "    " and resid 34   and name HG# )
   (  segid "    " and resid 106  and name HD% )
      2.800     1.000     1.000 peak   571 weight  0.20000E+01 volume  0.19173E-02 ppm1      0.647 ppm2      6.881 CV     1
 ASSI { 3485}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 106  and name HZ  ))
      3.500     1.500     1.500 peak  3485 weight  0.20000E+01 volume  0.54430E-03 ppm1      1.534 ppm2      6.927 CV     1
 ASSI { 3295}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 106  and name HZ  ))
      2.700     0.900     0.900 peak  3295 weight  0.20000E+01 volume  0.22389E-02 ppm1      2.770 ppm2      6.933 CV     1
 ASSI { 2067}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 105  and name HN  ))
      3.100     1.200     1.900 peak  2067 weight  0.20000E+01 volume  0.10885E-02 ppm1      2.022 ppm2      7.878 CV     1
 ASSI { 2855}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      3.100     1.200     1.200 peak  2855 weight  0.20000E+01 volume  0.11070E-02 ppm1      3.598 ppm2      8.698 CV     1
 ASSI { 2065}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 106  and name HA  ))
      2.600     0.900     0.900 peak  2065 weight  0.20000E+01 volume  0.29202E-02 ppm1      2.008 ppm2      4.779 CV     1
 ASSI { 2066}
   (( segid "    " and resid 106  and name HB# ))
   (  segid "    " and resid 106  and name HD% )
      2.500     0.800     0.800 peak  2066 weight  0.20000E+01 volume  0.39277E-02 ppm1      2.014 ppm2      6.873 CV     1
 ASSI { 2167}
   (( segid "    " and resid 107  and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      3.700     1.700     1.700 peak  2167 weight  0.20000E+01 volume  0.38449E-03 ppm1      1.365 ppm2      0.368 CV     1
 ASSI {  649}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 107  and name HG  ))
      3.200     1.300     1.300 peak   649 weight  0.20000E+01 volume  0.94347E-03 ppm1      0.411 ppm2      0.755 CV     1
 ASSI {  895}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 107  and name HA  ))
      4.200     2.200     1.800 peak   895 weight  0.20000E+01 volume  0.18608E-03 ppm1      0.586 ppm2      4.702 CV     1
 ASSI { 2179}
   (( segid "    " and resid 107  and name HB# ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak  2179 weight  0.20000E+01 volume  0.16942E-02 ppm1      2.052 ppm2      5.114 CV     1
 ASSI {  864}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 107  and name HG  ))
      2.000     0.500     0.500 peak   864 weight  0.20000E+01 volume  0.13392E-01 ppm1      0.592 ppm2      0.748 CV     1
 ASSI { 3379}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 107  and name HA  ))
      3.600     1.700     1.700 peak  3379 weight  0.20000E+01 volume  0.40894E-03 ppm1      0.639 ppm2      4.720 CV     1
 ASSI { 3357}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 107  and name HG  ))
      2.300     0.700     0.700 peak  3357 weight  0.20000E+01 volume  0.60647E-02 ppm1      0.975 ppm2      0.769 CV     1
 ASSI { 1309}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 96   and name HB# ))
      2.500     0.800     0.800 peak  1309 weight  0.20000E+01 volume  0.37231E-02 ppm1      0.751 ppm2      1.817 CV     1
 ASSI { 2101}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 107  and name HG  ))
      2.700     0.900     0.900 peak  2101 weight  0.20000E+01 volume  0.25771E-02 ppm1      1.612 ppm2      0.762 CV     1
 ASSI { 1132}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 97   and name HB# ))
      3.500     1.600     1.600 peak  1132 weight  0.20000E+01 volume  0.49609E-03 ppm1      0.876 ppm2      3.292 CV     1
 ASSI { 2557}
   (( segid "    " and resid 97   and name HB# ))
   (( segid "    " and resid 107  and name HG  ))
      3.400     1.400     1.400 peak  2557 weight  0.20000E+01 volume  0.61261E-03 ppm1      3.298 ppm2      0.757 CV     1
 ASSI { 1311}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 97   and name HB# ))
      2.900     1.100     1.100 peak  1311 weight  0.20000E+01 volume  0.15366E-02 ppm1      0.756 ppm2      3.034 CV     1
 ASSI { 1127}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 100  and name HA  ))
      3.400     1.400     1.400 peak  1127 weight  0.20000E+01 volume  0.51741E-02 ppm1      0.876 ppm2      4.768 CV     1
 ASSI { 2962}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      2.400     0.700     0.700 peak  2962 weight  0.20000E+01 volume  0.54970E-02 ppm1      4.261 ppm2      4.708 CV     1
 ASSI { 1381}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak  1381 weight  0.20000E+01 volume  0.13107E-02 ppm1      2.270 ppm2      4.698 CV     1
 ASSI { 1382}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 107  and name HA  ))
      3.100     1.200     1.200 peak  1382 weight  0.20000E+01 volume  0.11291E-02 ppm1      2.072 ppm2      4.704 CV     1
 ASSI { 2175}
   (( segid "    " and resid 107  and name HB# ))
   (( segid "    " and resid 101  and name HB# ))
      2.400     0.700     0.700 peak  2175 weight  0.20000E+01 volume  0.50977E-02 ppm1      1.359 ppm2      2.062 CV     1
 ASSI { 3308}
   (( segid "    " and resid 101  and name HB# ))
   (  segid "    " and resid 107  and name HD# )
      3.500     1.500     1.500 peak  3308 weight  0.20000E+01 volume  0.54326E-03 ppm1      2.263 ppm2      0.889 CV     1
 ASSI {  365}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB# ))
      2.500     0.800     0.800 peak   365 weight  0.20000E+01 volume  0.38843E-02 ppm1      4.702 ppm2      1.375 CV     1
 ASSI { 2178}
   (( segid "    " and resid 107  and name HB# ))
   (( segid "    " and resid 107  and name HA  ))
      2.900     1.100     1.100 peak  2178 weight  0.20000E+01 volume  0.14877E-02 ppm1      2.061 ppm2      4.695 CV     1
 ASSI { 1315}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak  1315 weight  0.20000E+01 volume  0.13410E-02 ppm1      0.756 ppm2      4.706 CV     1
 ASSI { 1310}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 107  and name HB# ))
      2.400     0.700     0.700 peak  1310 weight  0.20000E+01 volume  0.44203E-02 ppm1      0.756 ppm2      2.054 CV     1
 ASSI {  223}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      2.600     0.800     0.800 peak   223 weight  0.20000E+01 volume  0.32425E-02 ppm1      4.672 ppm2      1.284 CV     1
 ASSI {  228}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak   228 weight  0.20000E+01 volume  0.17674E-02 ppm1      4.671 ppm2      8.787 CV     1
 ASSI { 3282}
   (( segid "    " and resid 108  and name HB# ))
   (  segid "    " and resid 34   and name HG# )
      3.800     1.800     1.800 peak  3282 weight  0.20000E+01 volume  0.30862E-03 ppm1      2.218 ppm2      0.635 CV     1
 ASSI {  570}
   (  segid "    " and resid 34   and name HG# )
   (  segid "    " and resid 108  and name HD% )
      2.800     1.000     1.000 peak   570 weight  0.20000E+01 volume  0.19967E-02 ppm1      0.656 ppm2      6.341 CV     1
 ASSI { 3232}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 108  and name HA  ))
      3.300     1.300     1.300 peak  3232 weight  0.20000E+01 volume  0.77028E-03 ppm1      5.735 ppm2      4.670 CV     1
 ASSI { 3327}
   (( segid "    " and resid 102  and name HG# ))
   (  segid "    " and resid 108  and name HD% )
      3.700     1.700     1.700 peak  3327 weight  0.20000E+01 volume  0.36370E-03 ppm1      3.012 ppm2      6.310 CV     1
 ASSI { 2627}
   (( segid "    " and resid 102  and name HG# ))
   (  segid "    " and resid 108  and name HE% )
      3.200     1.300     1.300 peak  2627 weight  0.20000E+01 volume  0.82397E-03 ppm1      2.434 ppm2      6.807 CV     1
 ASSI {  557}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 109  and name HA  ))
      3.600     1.600     1.600 peak   557 weight  0.20000E+01 volume  0.44738E-03 ppm1      1.642 ppm2      4.837 CV     1
 ASSI {  900}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 109  and name HB  ))
      5.400     3.700     0.600 peak   900 weight  0.20000E+01 volume  0.37548E-04 ppm1      0.583 ppm2      1.560 CV     1
 ASSI {  866}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 109  and name HD# )
      2.500     0.800     0.800 peak   866 weight  0.20000E+01 volume  0.40984E-02 ppm1      0.582 ppm2      0.302 CV     1
 ASSI { 2077}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak  2077 weight  0.20000E+01 volume  0.20907E-02 ppm1      1.546 ppm2      5.739 CV     1
 ASSI {  941}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 109  and name HB  ))
      2.500     0.800     0.800 peak   941 weight  0.20000E+01 volume  0.35039E-02 ppm1      0.893 ppm2      1.556 CV     1
 ASSI {  450}
   (  segid "    " and resid 109  and name HD# )
   (  segid "    " and resid 62   and name HE% )
      2.400     0.700     0.700 peak   450 weight  0.20000E+01 volume  0.46458E-02 ppm1      0.295 ppm2      6.516 CV     1
 ASSI {  452}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 80   and name HB# ))
      3.800     1.800     1.800 peak   452 weight  0.20000E+01 volume  0.32304E-03 ppm1      0.300 ppm2      2.907 CV     1
 ASSI {  540}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak   540 weight  0.20000E+01 volume  0.27050E-02 ppm1      0.473 ppm2      6.008 CV     1
 ASSI {  538}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 80   and name HB# ))
      2.300     0.700     0.700 peak   538 weight  0.20000E+01 volume  0.59435E-02 ppm1      0.469 ppm2      2.935 CV     1
 ASSI { 3298}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak  3298 weight  0.20000E+01 volume  0.39914E-02 ppm1      0.477 ppm2      9.093 CV     1
 ASSI {  173}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.000     1.000 peak   173 weight  0.20000E+01 volume  0.17239E-02 ppm1      4.834 ppm2      4.546 CV     1
 ASSI { 1930}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 109  and name HA  ))
      3.400     1.500     1.500 peak  1930 weight  0.20000E+01 volume  0.58261E-03 ppm1      1.724 ppm2      4.838 CV     1
 ASSI {  778}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 109  and name HA  ))
      2.800     1.000     1.000 peak   778 weight  0.20000E+01 volume  0.19221E-02 ppm1      0.639 ppm2      4.821 CV     1
 ASSI {  765}
   (  segid "    " and resid 82   and name HG# )
   (  segid "    " and resid 109  and name HD# )
      2.900     1.100     1.100 peak   765 weight  0.20000E+01 volume  0.15295E-02 ppm1      0.644 ppm2      0.286 CV     1
 ASSI {  797}
   (  segid "    " and resid 82   and name HG# )
   (  segid "    " and resid 109  and name HD# )
      2.500     0.800     0.800 peak   797 weight  0.20000E+01 volume  0.43998E-02 ppm1      0.824 ppm2      0.292 CV     1
 ASSI {  800}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 109  and name HG1#))
      2.700     0.900     0.900 peak   800 weight  0.20000E+01 volume  0.23371E-02 ppm1      0.829 ppm2      1.323 CV     1
 ASSI {  159}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 109  and name HG# )
      4.200     2.200     1.800 peak   159 weight  0.20000E+01 volume  0.17333E-03 ppm1      4.541 ppm2      0.486 CV     1
 ASSI {  533}
   (  segid "    " and resid 109  and name HG# )
   (  segid "    " and resid 82   and name HG# )
      2.000     0.500     0.500 peak   533 weight  0.20000E+01 volume  0.15705E-01 ppm1      0.469 ppm2      0.840 CV     1
 ASSI {  536}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 87   and name HG# ))
      3.400     1.500     1.500 peak   536 weight  0.20000E+01 volume  0.57028E-03 ppm1      0.465 ppm2      1.723 CV     1
 ASSI {  997}
   (  segid "    " and resid 96   and name HD# )
   (  segid "    " and resid 109  and name HD# )
      2.600     0.800     0.800 peak   997 weight  0.20000E+01 volume  0.31198E-02 ppm1      0.902 ppm2      0.294 CV     1
 ASSI { 2075}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 108  and name HA  ))
      3.100     1.200     1.200 peak  2075 weight  0.20000E+01 volume  0.16895E-02 ppm1      1.541 ppm2      4.682 CV     1
 ASSI {  229}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.000     0.500     0.500 peak   229 weight  0.20000E+01 volume  0.13787E-01 ppm1      4.665 ppm2      9.370 CV     1
 ASSI { 2076}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak  2076 weight  0.20000E+01 volume  0.24230E-02 ppm1      1.549 ppm2      4.833 CV     1
 ASSI {  448}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak   448 weight  0.20000E+01 volume  0.25264E-02 ppm1      0.291 ppm2      4.827 CV     1
 ASSI {  445}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 109  and name HB  ))
      2.300     0.700     0.700 peak   445 weight  0.20000E+01 volume  0.64025E-02 ppm1      0.295 ppm2      1.554 CV     1
 ASSI {  171}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG1#))
      3.100     1.200     1.200 peak   171 weight  0.20000E+01 volume  0.10439E-02 ppm1      4.844 ppm2      1.336 CV     1
 ASSI { 2073}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 109  and name HG1#))
      2.600     0.800     0.800 peak  2073 weight  0.20000E+01 volume  0.31860E-02 ppm1      1.543 ppm2      1.320 CV     1
 ASSI {  444}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 109  and name HG1#))
      2.100     0.500     0.500 peak   444 weight  0.20000E+01 volume  0.11604E-01 ppm1      0.291 ppm2      1.323 CV     1
 ASSI {  169}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG1#))
      2.400     0.700     0.700 peak   169 weight  0.20000E+01 volume  0.47399E-02 ppm1      4.847 ppm2      0.822 CV     1
 ASSI {  539}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 109  and name HA  ))
      2.300     0.600     0.600 peak   539 weight  0.20000E+01 volume  0.69720E-02 ppm1      0.469 ppm2      4.834 CV     1
 ASSI {  535}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 109  and name HB  ))
      2.100     0.500     0.500 peak   535 weight  0.20000E+01 volume  0.12417E-01 ppm1      0.473 ppm2      1.533 CV     1
 ASSI {  544}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 109  and name HN  ))
      2.900     1.000     1.000 peak   544 weight  0.20000E+01 volume  0.17061E-02 ppm1      0.478 ppm2      9.383 CV     1
 ASSI {  561}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 110  and name HN  ))
      2.900     1.000     1.000 peak   561 weight  0.20000E+01 volume  0.16106E-02 ppm1      1.642 ppm2      9.020 CV     1
 ASSI {  972}
   (  segid "    " and resid 110  and name HB% )
   (  segid "    " and resid 5    and name HE% )
      2.700     0.900     0.900 peak   972 weight  0.20000E+01 volume  0.24248E-02 ppm1      1.565 ppm2      7.419 CV     1
 ASSI { 3025}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 110  and name HA  ))
      3.100     1.200     1.200 peak  3025 weight  0.20000E+01 volume  0.10141E-02 ppm1      3.053 ppm2      6.525 CV     1
 ASSI {  965}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak   965 weight  0.20000E+01 volume  0.38441E-03 ppm1      1.569 ppm2      3.051 CV     1
 ASSI {  966}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   966 weight  0.20000E+01 volume  0.17980E-02 ppm1      1.569 ppm2      4.411 CV     1
 ASSI {  961}
   (  segid "    " and resid 110  and name HB% )
   (  segid "    " and resid 38   and name HB% )
      2.300     0.600     0.600 peak   961 weight  0.20000E+01 volume  0.71788E-02 ppm1      1.565 ppm2      1.195 CV     1
 ASSI {  964}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 81   and name HB# ))
      2.300     0.700     0.700 peak   964 weight  0.20000E+01 volume  0.59353E-02 ppm1      1.569 ppm2      2.771 CV     1
 ASSI { 3174}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 109  and name HG# )
      3.300     1.400     1.400 peak  3174 weight  0.20000E+01 volume  0.72386E-03 ppm1      6.531 ppm2      0.465 CV     1
 ASSI {  967}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 109  and name HA  ))
      3.000     1.100     1.100 peak   967 weight  0.20000E+01 volume  0.14004E-02 ppm1      1.569 ppm2      4.840 CV     1
 ASSI {  959}
   (  segid "    " and resid 110  and name HB% )
   (  segid "    " and resid 109  and name HG# )
      2.800     1.000     1.000 peak   959 weight  0.20000E+01 volume  0.19266E-02 ppm1      1.567 ppm2      0.470 CV     1
 ASSI {  944}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 111  and name HB# ))
      3.100     1.200     1.200 peak   944 weight  0.20000E+01 volume  0.10102E-02 ppm1      0.902 ppm2      3.260 CV     1
 ASSI { 3027}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 111  and name HD% )
      2.900     1.000     1.000 peak  3027 weight  0.20000E+01 volume  0.17729E-02 ppm1      3.071 ppm2      6.833 CV     1
 ASSI { 3026}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 111  and name HE% )
      2.600     0.900     0.900 peak  3026 weight  0.20000E+01 volume  0.29623E-02 ppm1      3.064 ppm2      6.647 CV     1
 ASSI { 2062}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 111  and name HE% )
      2.900     1.000     1.000 peak  2062 weight  0.20000E+01 volume  0.16683E-02 ppm1      2.069 ppm2      6.651 CV     1
 ASSI {  693}
   (  segid "    " and resid 66   and name HG# )
   (( segid "    " and resid 111  and name HB# ))
      3.200     1.200     1.200 peak   693 weight  0.20000E+01 volume  0.96114E-03 ppm1      0.368 ppm2      3.277 CV     1
 ASSI {  995}
   (  segid "    " and resid 72   and name HD# )
   (  segid "    " and resid 111  and name HE% )
      3.000     1.200     1.200 peak   995 weight  0.20000E+01 volume  0.12101E-02 ppm1      0.893 ppm2      6.647 CV     1
 ASSI { 3187}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak  3187 weight  0.20000E+01 volume  0.43336E-02 ppm1      6.723 ppm2      6.013 CV     1
 ASSI { 3183}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 111  and name HB# ))
      3.200     1.300     1.300 peak  3183 weight  0.20000E+01 volume  0.85071E-03 ppm1      6.018 ppm2      3.274 CV     1
 ASSI { 3194}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.000     1.100     1.100 peak  3194 weight  0.20000E+01 volume  0.13238E-02 ppm1      6.728 ppm2      9.106 CV     1
 ASSI { 3385}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 111  and name HA  ))
      3.400     1.400     1.400 peak  3385 weight  0.20000E+01 volume  0.61496E-03 ppm1      1.568 ppm2      6.711 CV     1
 ASSI {  282}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 38   and name HB% )
      2.600     0.900     0.900 peak   282 weight  0.20000E+01 volume  0.27656E-02 ppm1      4.672 ppm2      1.199 CV     1
 ASSI {  593}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 112  and name HB# ))
      2.400     0.700     0.700 peak   593 weight  0.20000E+01 volume  0.56397E-02 ppm1      1.199 ppm2      4.266 CV     1
 ASSI {  592}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 112  and name HB# ))
      1.900     0.500     0.500 peak   592 weight  0.20000E+01 volume  0.19128E-01 ppm1      1.197 ppm2      3.894 CV     1
 ASSI {  382}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 112  and name HA  ))
      2.800     1.000     1.000 peak   382 weight  0.20000E+01 volume  0.18616E-02 ppm1      4.491 ppm2      4.666 CV     1
 ASSI {  753}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 112  and name HA  ))
      2.100     0.500     0.500 peak   753 weight  0.20000E+01 volume  0.12805E-01 ppm1      1.601 ppm2      4.663 CV     1
 ASSI {  755}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 112  and name HB# ))
      3.000     1.100     1.100 peak   755 weight  0.20000E+01 volume  0.14123E-02 ppm1      1.610 ppm2      4.272 CV     1
 ASSI {  757}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 112  and name HB# ))
      2.800     1.000     1.000 peak   757 weight  0.20000E+01 volume  0.20911E-02 ppm1      1.605 ppm2      3.907 CV     1
 ASSI {  638}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 112  and name HA  ))
      2.600     0.900     0.900 peak   638 weight  0.20000E+01 volume  0.27647E-02 ppm1      1.105 ppm2      4.659 CV     1
 ASSI {  285}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 111  and name HA  ))
      3.500     1.500     1.500 peak   285 weight  0.20000E+01 volume  0.53121E-03 ppm1      4.673 ppm2      6.713 CV     1
 ASSI {   16}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 112  and name HA  ))
      2.300     0.700     0.700 peak    16 weight  0.20000E+01 volume  0.57364E-02 ppm1      3.917 ppm2      4.663 CV     1
 ASSI { 3366}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      4.200     2.200     1.800 peak  3366 weight  0.20000E+01 volume  0.17797E-03 ppm1      4.823 ppm2      2.069 CV     1
 ASSI {  512}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 113  and name HA  ))
      2.500     0.800     0.800 peak   512 weight  0.20000E+01 volume  0.39189E-02 ppm1      1.141 ppm2      4.820 CV     1
 ASSI {  639}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 113  and name HA  ))
      3.100     1.200     1.200 peak   639 weight  0.20000E+01 volume  0.11798E-02 ppm1      1.105 ppm2      4.827 CV     1
 ASSI { 2059}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 113  and name HB# ))
      3.100     1.200     1.200 peak  2059 weight  0.20000E+01 volume  0.10906E-02 ppm1      2.077 ppm2      3.061 CV     1
 ASSI {  636}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 113  and name HB# ))
      2.500     0.800     0.800 peak   636 weight  0.20000E+01 volume  0.42338E-02 ppm1      1.107 ppm2      3.063 CV     1
 ASSI { 3542}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 113  and name HB# ))
      4.100     2.100     1.900 peak  3542 weight  0.20000E+01 volume  0.19072E-03 ppm1      4.441 ppm2      2.699 CV     1
 ASSI {  510}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 113  and name HB# ))
      2.400     0.700     0.700 peak   510 weight  0.20000E+01 volume  0.49232E-02 ppm1      1.137 ppm2      2.717 CV     1
 ASSI {  747}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 113  and name HA  ))
      2.500     0.800     0.800 peak   747 weight  0.20000E+01 volume  0.35235E-02 ppm1      1.431 ppm2      4.824 CV     1
 ASSI {  743}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 113  and name HB# ))
      2.700     0.900     0.900 peak   743 weight  0.20000E+01 volume  0.22952E-02 ppm1      1.431 ppm2      3.080 CV     1
 ASSI {  742}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 113  and name HB# ))
      2.800     1.000     1.000 peak   742 weight  0.20000E+01 volume  0.18091E-02 ppm1      1.423 ppm2      2.715 CV     1
 ASSI {  339}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak   339 weight  0.20000E+01 volume  0.40268E-02 ppm1      4.822 ppm2      4.546 CV     1
 ASSI { 1106}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 113  and name HA  ))
      3.300     1.400     1.400 peak  1106 weight  0.20000E+01 volume  0.71042E-03 ppm1      0.820 ppm2      4.817 CV     1
 ASSI {  338}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB# ))
      2.200     0.600     0.600 peak   338 weight  0.20000E+01 volume  0.87633E-02 ppm1      4.819 ppm2      3.078 CV     1
 ASSI {  337}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB# ))
      2.200     0.600     0.600 peak   337 weight  0.20000E+01 volume  0.82753E-02 ppm1      4.823 ppm2      2.714 CV     1
 ASSI {  300}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB# ))
      2.200     0.600     0.600 peak   300 weight  0.20000E+01 volume  0.78489E-02 ppm1      4.638 ppm2      2.076 CV     1
 ASSI {  299}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB# ))
      2.400     0.700     0.700 peak   299 weight  0.20000E+01 volume  0.51900E-02 ppm1      4.643 ppm2      1.866 CV     1
 ASSI { 3429}
   (( segid "    " and resid 114  and name HB# ))
   (( segid "    " and resid 114  and name HG# ))
      2.200     0.600     0.600 peak  3429 weight  0.20000E+01 volume  0.76960E-02 ppm1      2.078 ppm2      2.196 CV     1
 ASSI { 1837}
   (( segid "    " and resid 114  and name HB# ))
   (( segid "    " and resid 114  and name HG# ))
      2.100     0.500     0.500 peak  1837 weight  0.20000E+01 volume  0.11897E-01 ppm1      1.868 ppm2      2.186 CV     1
 ASSI { 2654}
   (( segid "    " and resid 114  and name HG# ))
   (( segid "    " and resid 114  and name HA  ))
      2.400     0.700     0.700 peak  2654 weight  0.20000E+01 volume  0.55494E-02 ppm1      2.305 ppm2      4.642 CV     1
 ASSI { 3428}
   (( segid "    " and resid 114  and name HB# ))
   (( segid "    " and resid 114  and name HG# ))
      2.600     0.800     0.800 peak  3428 weight  0.20000E+01 volume  0.31595E-02 ppm1      2.076 ppm2      2.305 CV     1
 ASSI { 1836}
   (( segid "    " and resid 114  and name HB# ))
   (( segid "    " and resid 114  and name HG# ))
      2.200     0.600     0.600 peak  1836 weight  0.20000E+01 volume  0.89112E-02 ppm1      1.868 ppm2      2.305 CV     1
 ASSI { 3293}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 79   and name HB# ))
      2.600     0.800     0.800 peak  3293 weight  0.20000E+01 volume  0.31164E-02 ppm1      3.368 ppm2      2.587 CV     1
 ASSI { 2956}
   (( segid "    " and resid 115  and name HA  ))
   (  segid "    " and resid 79   and name HD% )
      2.900     1.000     1.000 peak  2956 weight  0.20000E+01 volume  0.16762E-02 ppm1      3.365 ppm2      6.910 CV     1
 ASSI { 2822}
   (( segid "    " and resid 115  and name HB# ))
   (( segid "    " and resid 115  and name HA  ))
      2.100     0.500     0.500 peak  2822 weight  0.20000E+01 volume  0.11724E-01 ppm1      3.489 ppm2      3.369 CV     1
 ASSI {  683}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 116  and name HA  ))
      3.300     1.400     1.400 peak   683 weight  0.20000E+01 volume  0.71909E-03 ppm1      0.824 ppm2      4.112 CV     1
 ASSI {  712}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 114  and name HB# ))
      3.500     1.500     1.500 peak   712 weight  0.20000E+01 volume  0.50842E-03 ppm1      0.755 ppm2      2.070 CV     1
 ASSI {  115}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB  ))
      2.500     0.800     0.800 peak   115 weight  0.20000E+01 volume  0.75495E-02 ppm1      4.133 ppm2      1.796 CV     1
 ASSI {  714}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 116  and name HA  ))
      2.000     0.500     0.500 peak   714 weight  0.20000E+01 volume  0.14176E-01 ppm1      0.760 ppm2      4.136 CV     1
 ASSI {  711}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 116  and name HB  ))
      1.900     0.400     0.400 peak   711 weight  0.20000E+01 volume  0.22396E-01 ppm1      0.756 ppm2      1.810 CV     1
 ASSI { 2901}
   (( segid "    " and resid 117  and name HA  ))
   (  segid "    " and resid 38   and name HB% )
      3.600     1.600     1.600 peak  2901 weight  0.20000E+01 volume  0.47107E-03 ppm1      3.670 ppm2      1.196 CV     1
 ASSI { 3303}
   (( segid "    " and resid 117  and name HB# ))
   (  segid "    " and resid 38   and name HB% )
      3.400     1.500     1.500 peak  3303 weight  0.20000E+01 volume  0.59439E-03 ppm1      1.863 ppm2      1.208 CV     1
 ASSI { 3296}
   (( segid "    " and resid 117  and name HB# ))
   (  segid "    " and resid 81   and name HD% )
      3.400     1.400     1.400 peak  3296 weight  0.20000E+01 volume  0.64649E-03 ppm1      2.528 ppm2      6.906 CV     1
 ASSI { 2260}
   (( segid "    " and resid 81   and name HB# ))
   (  segid "    " and resid 117  and name HD% )
      3.200     1.300     1.300 peak  2260 weight  0.20000E+01 volume  0.81905E-03 ppm1      2.781 ppm2      6.591 CV     1
 ASSI { 2022}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 84   and name HA  ))
      4.000     2.000     2.000 peak  2022 weight  0.20000E+01 volume  0.22356E-03 ppm1      1.863 ppm2      4.036 CV     1
 ASSI {  969}
   (  segid "    " and resid 110  and name HB% )
   (  segid "    " and resid 117  and name HE% )
      1.900     0.400     0.400 peak   969 weight  0.20000E+01 volume  0.22786E-01 ppm1      1.568 ppm2      6.575 CV     1
 ASSI { 2023}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 117  and name HA  ))
      2.400     0.700     0.700 peak  2023 weight  0.20000E+01 volume  0.48495E-02 ppm1      1.865 ppm2      3.650 CV     1
 ASSI { 2241}
   (( segid "    " and resid 118  and name HA# ))
   (( segid "    " and resid 114  and name HB# ))
      3.400     1.400     1.400 peak  2241 weight  0.20000E+01 volume  0.66519E-03 ppm1      3.680 ppm2      2.053 CV     1
 ASSI { 3581}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 118  and name HA# ))
      3.900     1.900     1.900 peak  3581 weight  0.20000E+01 volume  0.26740E-03 ppm1      0.747 ppm2      3.535 CV     1
 ASSI { 1034}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak  1034 weight  0.20000E+01 volume  0.13954E-02 ppm1      0.781 ppm2      4.187 CV     1
 ASSI { 2994}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 39   and name HG# ))
      2.900     1.000     1.000 peak  2994 weight  0.20000E+01 volume  0.16220E-02 ppm1      4.075 ppm2      2.005 CV     1
 ASSI { 1031}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 39   and name HG# ))
      3.300     1.400     1.400 peak  1031 weight  0.20000E+01 volume  0.68659E-03 ppm1      0.781 ppm2      1.983 CV     1
 ASSI { 3584}
   (( segid "    " and resid 119  and name HB# ))
   (( segid "    " and resid 40   and name HB# ))
      3.400     1.400     1.400 peak  3584 weight  0.20000E+01 volume  0.63651E-03 ppm1      1.432 ppm2      1.809 CV     1
 ASSI { 3288}
   (( segid "    " and resid 40   and name HD# ))
   (( segid "    " and resid 119  and name HG  ))
      2.100     0.500     0.500 peak  3288 weight  0.20000E+01 volume  0.11677E-01 ppm1      1.575 ppm2      1.440 CV     1
 ASSI { 1890}
   (( segid "    " and resid 116  and name HB  ))
   (( segid "    " and resid 119  and name HB# ))
      2.500     0.800     0.800 peak  1890 weight  0.20000E+01 volume  0.37118E-02 ppm1      1.806 ppm2      1.447 CV     1
 ASSI { 2237}
   (( segid "    " and resid 118  and name HA# ))
   (( segid "    " and resid 119  and name HB# ))
      3.300     1.400     1.400 peak  2237 weight  0.20000E+01 volume  0.73343E-03 ppm1      3.686 ppm2      1.508 CV     1
 ASSI { 2154}
   (( segid "    " and resid 119  and name HB# ))
   (( segid "    " and resid 119  and name HA  ))
      2.300     0.700     0.700 peak  2154 weight  0.20000E+01 volume  0.60454E-02 ppm1      1.434 ppm2      4.071 CV     1
 ASSI { 2147}
   (( segid "    " and resid 119  and name HB# ))
   (( segid "    " and resid 119  and name HA  ))
      2.500     0.800     0.800 peak  2147 weight  0.20000E+01 volume  0.40290E-02 ppm1      1.488 ppm2      4.066 CV     1
 ASSI { 1032}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 119  and name HA  ))
      2.200     0.600     0.600 peak  1032 weight  0.20000E+01 volume  0.96057E-02 ppm1      0.786 ppm2      4.065 CV     1
 ASSI { 2152}
   (( segid "    " and resid 119  and name HB# ))
   (  segid "    " and resid 119  and name HD# )
      2.100     0.600     0.600 peak  2152 weight  0.20000E+01 volume  0.10526E-01 ppm1      1.436 ppm2      0.795 CV     1
 ASSI { 1456}
   (( segid "    " and resid 119  and name HG  ))
   (( segid "    " and resid 119  and name HA  ))
      2.700     0.900     0.900 peak  1456 weight  0.20000E+01 volume  0.24926E-02 ppm1      1.457 ppm2      4.057 CV     1
 ASSI { 1454}
   (( segid "    " and resid 119  and name HG  ))
   (  segid "    " and resid 119  and name HD# )
      2.100     0.600     0.600 peak  1454 weight  0.20000E+01 volume  0.10878E-01 ppm1      1.461 ppm2      0.780 CV     1
 ASSI {   10}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 93   and name HA  ))
      2.400     0.700     0.700 peak    10 weight  0.10000E+01 volume  0.52432E-02 ppm1      1.623 ppm2      4.357 CV     1
 ASSI {   11}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 65   and name HA  ))
      2.000     0.500     0.500 peak    11 weight  0.10000E+01 volume  0.13041E-01 ppm1      1.818 ppm2      3.935 CV     1
 ASSI {   13}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 24   and name HA  ))
      2.200     0.600     0.600 peak    13 weight  0.10000E+01 volume  0.93790E-02 ppm1      3.246 ppm2      4.025 CV     1
 ASSI {   18}
   (( segid "    " and resid 47   and name HB# ))
   (( segid "    " and resid 47   and name HA  ))
      1.800     0.400     0.400 peak    18 weight  0.10000E+01 volume  0.26411E-01 ppm1      2.807 ppm2      4.400 CV     1
 ASSI {   21}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 64   and name HA  ))
      2.000     0.500     0.500 peak    21 weight  0.10000E+01 volume  0.13418E-01 ppm1      3.292 ppm2      4.030 CV     1
 ASSI {   26}
   (( segid "    " and resid 84   and name HB# ))
   (( segid "    " and resid 84   and name HA  ))
      2.100     0.600     0.600 peak    26 weight  0.10000E+01 volume  0.26515E-01 ppm1      3.048 ppm2      4.051 CV     1
 ASSI {   29}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 83   and name HA  ))
      1.900     0.500     0.500 peak    29 weight  0.10000E+01 volume  0.17588E-01 ppm1      3.019 ppm2      4.327 CV     1
 ASSI {   39}
   (( segid "    " and resid 61   and name HG# ))
   (( segid "    " and resid 61   and name HA  ))
      1.900     0.400     0.400 peak    39 weight  0.10000E+01 volume  0.22762E-01 ppm1      2.497 ppm2      4.276 CV     1
 ASSI {   42}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 26   and name HA  ))
      1.900     0.400     0.400 peak    42 weight  0.10000E+01 volume  0.23497E-01 ppm1      1.478 ppm2      3.804 CV     1
 OR {   42}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {   43}
   (( segid "    " and resid 98   and name HG# ))
   (( segid "    " and resid 98   and name HA  ))
      2.100     0.500     0.500 peak    43 weight  0.10000E+01 volume  0.11270E-01 ppm1      2.594 ppm2      4.059 CV     1
 ASSI {   47}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HA  ))
      2.100     0.500     0.500 peak    47 weight  0.10000E+01 volume  0.11352E-01 ppm1      1.985 ppm2      3.882 CV     1
 ASSI {   51}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 68   and name HA  ))
      1.900     0.400     0.400 peak    51 weight  0.10000E+01 volume  0.22165E-01 ppm1      1.762 ppm2      3.998 CV     1
 ASSI {   54}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 89   and name HA  ))
      2.000     0.500     0.500 peak    54 weight  0.10000E+01 volume  0.15744E-01 ppm1      2.398 ppm2      3.879 CV     1
 ASSI {   57}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 99   and name HA  ))
      1.900     0.500     0.500 peak    57 weight  0.10000E+01 volume  0.18427E-01 ppm1      1.496 ppm2      3.994 CV     1
 ASSI {   61}
   (( segid "    " and resid 9    and name HB# ))
   (( segid "    " and resid 9    and name HA  ))
      2.000     0.500     0.500 peak    61 weight  0.10000E+01 volume  0.32723E-01 ppm1      2.137 ppm2      4.151 CV     1
 ASSI {   68}
   (( segid "    " and resid 75   and name HB# ))
   (( segid "    " and resid 75   and name HA  ))
      2.100     0.600     0.600 peak    68 weight  0.10000E+01 volume  0.10056E-01 ppm1      2.041 ppm2      4.099 CV     1
 ASSI {   69}
   (( segid "    " and resid 75   and name HB# ))
   (( segid "    " and resid 75   and name HA  ))
      2.100     0.500     0.500 peak    69 weight  0.10000E+01 volume  0.11965E-01 ppm1      1.979 ppm2      4.102 CV     1
 ASSI {   73}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 98   and name HA  ))
      2.000     0.500     0.500 peak    73 weight  0.10000E+01 volume  0.15698E-01 ppm1      2.333 ppm2      4.061 CV     1
 ASSI {   75}
   (( segid "    " and resid 54   and name HG# ))
   (( segid "    " and resid 54   and name HD# ))
      2.300     0.700     0.700 peak    75 weight  0.10000E+01 volume  0.59425E-02 ppm1      2.245 ppm2      3.995 CV     1
 ASSI {   78}
   (( segid "    " and resid 69   and name HG# ))
   (( segid "    " and resid 69   and name HA  ))
      2.100     0.500     0.500 peak    78 weight  0.10000E+01 volume  0.12757E-01 ppm1      1.702 ppm2      4.016 CV     1
 ASSI {   80}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak    80 weight  0.10000E+01 volume  0.23975E-02 ppm1      2.030 ppm2      4.222 CV     1
 ASSI {   84}
   (( segid "    " and resid 88   and name HG# ))
   (( segid "    " and resid 88   and name HD# ))
      1.800     0.400     0.400 peak    84 weight  0.10000E+01 volume  0.32145E-01 ppm1      2.190 ppm2      3.970 CV     1
 ASSI {   89}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 97   and name HA  ))
      2.400     0.700     0.700 peak    89 weight  0.10000E+01 volume  0.44842E-02 ppm1      0.757 ppm2      3.856 CV     1
 ASSI {   94}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 87   and name HD# ))
      2.000     0.500     0.500 peak    94 weight  0.10000E+01 volume  0.12852E-01 ppm1      1.755 ppm2      4.094 CV     1
 ASSI {   97}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 87   and name HD# ))
      2.100     0.500     0.500 peak    97 weight  0.10000E+01 volume  0.11832E-01 ppm1      1.755 ppm2      3.943 CV     1
 ASSI {   98}
   (( segid "    " and resid 71   and name HB# ))
   (( segid "    " and resid 71   and name HA  ))
      1.900     0.400     0.400 peak    98 weight  0.10000E+01 volume  0.20549E-01 ppm1      3.287 ppm2      4.217 CV     1
 ASSI {  102}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.800     0.800 peak   102 weight  0.10000E+01 volume  0.31572E-02 ppm1      1.015 ppm2      3.940 CV     1
 ASSI {  106}
   (( segid "    " and resid 25   and name HG# ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak   106 weight  0.10000E+01 volume  0.15908E-02 ppm1      1.447 ppm2      3.960 CV     1
 ASSI {  107}
   (( segid "    " and resid 40   and name HG# ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak   107 weight  0.10000E+01 volume  0.35354E-02 ppm1      1.321 ppm2      4.016 CV     1
 ASSI {  111}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 89   and name HA  ))
      2.300     0.700     0.700 peak   111 weight  0.10000E+01 volume  0.58369E-02 ppm1      0.959 ppm2      3.876 CV     1
 ASSI {  115}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 101  and name HA  ))
      2.400     0.700     0.700 peak   115 weight  0.10000E+01 volume  0.52270E-02 ppm1      0.881 ppm2      4.261 CV     1
 ASSI {  116}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 97   and name HA  ))
      2.100     0.500     0.500 peak   116 weight  0.10000E+01 volume  0.11368E-01 ppm1      0.880 ppm2      3.855 CV     1
 ASSI {  120}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 119  and name HA  ))
      2.400     0.700     0.700 peak   120 weight  0.10000E+01 volume  0.54388E-02 ppm1      0.790 ppm2      4.073 CV     1
 ASSI {  123}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 60   and name HA# ))
      2.300     0.600     0.600 peak   123 weight  0.10000E+01 volume  0.72055E-02 ppm1      1.376 ppm2      4.100 CV     1
 ASSI {  125}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 89   and name HA  ))
      2.000     0.500     0.500 peak   125 weight  0.10000E+01 volume  0.14619E-01 ppm1      0.867 ppm2      3.877 CV     1
 ASSI {  129}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 31   and name HA  ))
      2.100     0.500     0.500 peak   129 weight  0.10000E+01 volume  0.12056E-01 ppm1      0.376 ppm2      4.156 CV     1
 ASSI {  135}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 116  and name HA  ))
      2.100     0.500     0.500 peak   135 weight  0.10000E+01 volume  0.12557E-01 ppm1      0.754 ppm2      4.130 CV     1
 ASSI {  148}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 87   and name HD# ))
      2.200     0.600     0.600 peak   148 weight  0.10000E+01 volume  0.81521E-02 ppm1      1.161 ppm2      4.089 CV     1
 ASSI {  151}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 60   and name HN  ))
      1.900     0.500     0.500 peak   151 weight  0.10000E+01 volume  0.17896E-01 ppm1      4.093 ppm2      8.925 CV     1
 ASSI {  152}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 60   and name HN  ))
      2.000     0.500     0.500 peak   152 weight  0.10000E+01 volume  0.13315E-01 ppm1      3.944 ppm2      8.924 CV     1
 ASSI {  156}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 94   and name HN  ))
      1.900     0.400     0.400 peak   156 weight  0.10000E+01 volume  0.21010E-01 ppm1      4.024 ppm2      9.461 CV     1
 ASSI {  157}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 94   and name HN  ))
      2.000     0.500     0.500 peak   157 weight  0.10000E+01 volume  0.14418E-01 ppm1      3.714 ppm2      9.461 CV     1
 ASSI {  159}
   (( segid "    " and resid 44   and name HA# ))
   (( segid "    " and resid 44   and name HN  ))
      1.800     0.400     0.400 peak   159 weight  0.10000E+01 volume  0.31247E-01 ppm1      3.872 ppm2      8.301 CV     1
 ASSI {  163}
   (( segid "    " and resid 118  and name HA# ))
   (( segid "    " and resid 119  and name HN  ))
      2.300     0.600     0.600 peak   163 weight  0.10000E+01 volume  0.70719E-02 ppm1      3.578 ppm2      7.397 CV     1
 ASSI {  174}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak   174 weight  0.10000E+01 volume  0.16710E-02 ppm1      1.692 ppm2      7.803 CV     1
 ASSI {  175}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 72   and name HN  ))
      2.100     0.500     0.500 peak   175 weight  0.10000E+01 volume  0.11447E-01 ppm1      1.376 ppm2      7.807 CV     1
 ASSI {  176}
   (( segid "    " and resid 69   and name HD# ))
   (  segid "    " and resid 51   and name HE% )
      2.100     0.600     0.600 peak   176 weight  0.10000E+01 volume  0.10015E-01 ppm1      3.286 ppm2      6.619 CV     1
 ASSI {  180}
   (( segid "    " and resid 111  and name HB# ))
   (( segid "    " and resid 111  and name HA  ))
      2.000     0.500     0.500 peak   180 weight  0.10000E+01 volume  0.14924E-01 ppm1      3.273 ppm2      6.705 CV     1
 ASSI {  182}
   (( segid "    " and resid 111  and name HB# ))
   (( segid "    " and resid 111  and name HA  ))
      1.800     0.400     0.400 peak   182 weight  0.10000E+01 volume  0.25588E-01 ppm1      2.850 ppm2      6.712 CV     1
 ASSI {  183}
   (( segid "    " and resid 45   and name HB# ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   183 weight  0.10000E+01 volume  0.47816E-02 ppm1      2.749 ppm2      8.119 CV     1
 ASSI {  184}
   (( segid "    " and resid 45   and name HB# ))
   (( segid "    " and resid 45   and name HN  ))
      2.200     0.600     0.600 peak   184 weight  0.10000E+01 volume  0.74534E-02 ppm1      2.745 ppm2      8.304 CV     1
 ASSI {  186}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 96   and name HN  ))
      2.200     0.600     0.600 peak   186 weight  0.10000E+01 volume  0.94102E-02 ppm1      1.824 ppm2      8.403 CV     1
 ASSI {  188}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 96   and name HN  ))
      2.200     0.600     0.600 peak   188 weight  0.10000E+01 volume  0.75395E-02 ppm1      1.620 ppm2      8.403 CV     1
 ASSI {  196}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 65   and name HN  ))
      2.000     0.500     0.500 peak   196 weight  0.10000E+01 volume  0.13259E-01 ppm1      1.637 ppm2      7.574 CV     1
 ASSI {  197}
   (( segid "    " and resid 80   and name HB# ))
   (  segid "    " and resid 80   and name HD% )
      2.800     1.000     1.000 peak   197 weight  0.10000E+01 volume  0.21579E-02 ppm1      2.924 ppm2      6.807 CV     1
 ASSI {  199}
   (( segid "    " and resid 106  and name HB# ))
   (  segid "    " and resid 106  and name HD% )
      2.100     0.600     0.600 peak   199 weight  0.10000E+01 volume  0.98353E-02 ppm1      2.019 ppm2      6.867 CV     1
 ASSI {  201}
   (( segid "    " and resid 5    and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      2.000     0.500     0.500 peak   201 weight  0.10000E+01 volume  0.15873E-01 ppm1      3.057 ppm2      7.218 CV     1
 ASSI {  206}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   206 weight  0.10000E+01 volume  0.29975E-02 ppm1      2.996 ppm2      9.567 CV     1
 ASSI {  207}
   (( segid "    " and resid 13   and name HB# ))
   (  segid "    " and resid 13   and name HD% )
      2.200     0.600     0.600 peak   207 weight  0.10000E+01 volume  0.91371E-02 ppm1      2.984 ppm2      7.306 CV     1
 ASSI {  208}
   (( segid "    " and resid 97   and name HB# ))
   (( segid "    " and resid 98   and name HN  ))
      2.600     0.900     0.900 peak   208 weight  0.10000E+01 volume  0.30235E-02 ppm1      3.307 ppm2      8.407 CV     1
 ASSI {  209}
   (( segid "    " and resid 97   and name HB# ))
   (( segid "    " and resid 97   and name HN  ))
      2.000     0.500     0.500 peak   209 weight  0.10000E+01 volume  0.16149E-01 ppm1      3.306 ppm2      9.018 CV     1
 ASSI {  211}
   (( segid "    " and resid 97   and name HB# ))
   (( segid "    " and resid 97   and name HN  ))
      2.100     0.500     0.500 peak   211 weight  0.10000E+01 volume  0.12599E-01 ppm1      3.052 ppm2      9.020 CV     1
 ASSI {  216}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 65   and name HN  ))
      2.200     0.600     0.600 peak   216 weight  0.10000E+01 volume  0.80841E-02 ppm1      3.290 ppm2      7.577 CV     1
 ASSI {  217}
   (( segid "    " and resid 64   and name HB# ))
   (  segid "    " and resid 64   and name HD% )
      1.800     0.400     0.400 peak   217 weight  0.10000E+01 volume  0.23813E-01 ppm1      3.291 ppm2      7.363 CV     1
 OR {  217}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  218}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak   218 weight  0.10000E+01 volume  0.39955E-02 ppm1      3.187 ppm2      7.576 CV     1
 ASSI {  219}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 64   and name HN  ))
      1.800     0.400     0.400 peak   219 weight  0.10000E+01 volume  0.30482E-01 ppm1      3.187 ppm2      7.365 CV     1
 OR {  219}
   (( segid "    " and resid 64   and name HB# ))
   (  segid "    " and resid 64   and name HD% )
 ASSI {  226}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
      1.900     0.400     0.400 peak   226 weight  0.10000E+01 volume  0.23195E-01 ppm1      1.817 ppm2      8.300 CV     1
 ASSI {  227}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     0.700     0.700 peak   227 weight  0.10000E+01 volume  0.58905E-02 ppm1      1.815 ppm2      7.763 CV     1
 ASSI {  230}
   (( segid "    " and resid 63   and name HB# ))
   (( segid "    " and resid 63   and name HN  ))
      2.000     0.500     0.500 peak   230 weight  0.10000E+01 volume  0.14844E-01 ppm1      3.101 ppm2      9.116 CV     1
 ASSI {  232}
   (( segid "    " and resid 63   and name HB# ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak   232 weight  0.10000E+01 volume  0.24128E-02 ppm1      3.093 ppm2      7.373 CV     1
 ASSI {  233}
   (( segid "    " and resid 63   and name HB# ))
   (( segid "    " and resid 63   and name HN  ))
      2.200     0.600     0.600 peak   233 weight  0.10000E+01 volume  0.85155E-02 ppm1      2.741 ppm2      9.119 CV     1
 ASSI {  236}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 117  and name HN  ))
      2.100     0.500     0.500 peak   236 weight  0.10000E+01 volume  0.12444E-01 ppm1      2.547 ppm2      8.230 CV     1
 ASSI {  237}
   (( segid "    " and resid 117  and name HB# ))
   (  segid "    " and resid 117  and name HD% )
      2.100     0.500     0.500 peak   237 weight  0.10000E+01 volume  0.11582E-01 ppm1      2.549 ppm2      6.609 CV     1
 ASSI {  241}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 83   and name HD22))
      2.600     0.900     0.900 peak   241 weight  0.10000E+01 volume  0.28456E-02 ppm1      2.702 ppm2      9.016 CV     1
 ASSI {  242}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      2.200     0.600     0.600 peak   242 weight  0.10000E+01 volume  0.75953E-02 ppm1      1.273 ppm2      8.778 CV     1
 ASSI {  244}
   (( segid "    " and resid 9    and name HG# ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak   244 weight  0.10000E+01 volume  0.18593E-02 ppm1      2.367 ppm2      7.618 CV     1
 ASSI {  245}
   (( segid "    " and resid 9    and name HG# ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak   245 weight  0.10000E+01 volume  0.19805E-02 ppm1      2.295 ppm2      7.613 CV     1
 ASSI {  247}
   (( segid "    " and resid 75   and name HG# ))
   (( segid "    " and resid 75   and name HN  ))
      2.900     1.000     1.000 peak   247 weight  0.10000E+01 volume  0.17358E-02 ppm1      2.203 ppm2      8.802 CV     1
 ASSI {  248}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak   248 weight  0.10000E+01 volume  0.87416E-02 ppm1      1.749 ppm2      8.897 CV     1
 ASSI {  249}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 99   and name HN  ))
      2.900     1.000     1.000 peak   249 weight  0.10000E+01 volume  0.16535E-02 ppm1      2.065 ppm2      7.396 CV     1
 ASSI {  251}{calib n14}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak   251 weight  0.10000E+01 volume  0.86149E-02 ppm1      2.207 ppm2      8.497 CV     1
 ASSI {  252}{calib n235}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 85   and name HN  ))
      2.200     0.600     0.600 peak   252 weight  0.10000E+01 volume  0.12770E-01 ppm1      2.203 ppm2      8.180 CV     1
 ASSI {  254}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 66   and name HN  ))
      1.900     0.500     0.500 peak   254 weight  0.10000E+01 volume  0.19399E-01 ppm1      1.785 ppm2      7.818 CV     1
 ASSI {  256}
   (( segid "    " and resid 50   and name HB# ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak   256 weight  0.10000E+01 volume  0.97014E-02 ppm1      1.643 ppm2      6.989 CV     1
 ASSI {  258}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     0.700     0.700 peak   258 weight  0.10000E+01 volume  0.44556E-02 ppm1      2.050 ppm2      9.117 CV     1
 ASSI {  259}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   259 weight  0.10000E+01 volume  0.42072E-02 ppm1      1.722 ppm2      9.342 CV     1
 ASSI {  260}
   (( segid "    " and resid 95   and name HG# ))
   (( segid "    " and resid 95   and name HN  ))
      2.200     0.600     0.600 peak   260 weight  0.10000E+01 volume  0.80266E-02 ppm1      2.491 ppm2      7.991 CV     1
 ASSI {  261}
   (( segid "    " and resid 95   and name HG# ))
   (( segid "    " and resid 95   and name HE21))
      2.800     1.000     1.000 peak   261 weight  0.10000E+01 volume  0.19793E-02 ppm1      2.493 ppm2      7.716 CV     1
 ASSI {  262}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 51   and name HE% )
      2.200     0.600     0.600 peak   262 weight  0.10000E+01 volume  0.73687E-02 ppm1      2.053 ppm2      6.613 CV     1
 ASSI {  265}
   (( segid "    " and resid 98   and name HG# ))
   (( segid "    " and resid 98   and name HN  ))
      2.300     0.700     0.700 peak   265 weight  0.10000E+01 volume  0.65785E-02 ppm1      2.595 ppm2      8.411 CV     1
 ASSI {  268}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 26   and name HN  ))
      2.100     0.600     0.600 peak   268 weight  0.10000E+01 volume  0.99271E-02 ppm1      1.229 ppm2      7.727 CV     1
 ASSI {  273}
   (( segid "    " and resid 25   and name HB# ))
   (( segid "    " and resid 26   and name HN  ))
      2.000     0.500     0.500 peak   273 weight  0.10000E+01 volume  0.16856E-01 ppm1      1.757 ppm2      7.730 CV     1
 ASSI {  274}
   (( segid "    " and resid 25   and name HB# ))
   (( segid "    " and resid 25   and name HN  ))
      1.900     0.400     0.400 peak   274 weight  0.10000E+01 volume  0.22703E-01 ppm1      1.754 ppm2      7.381 CV     1
 ASSI {  275}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 15   and name HN  ))
      2.100     0.600     0.600 peak   275 weight  0.10000E+01 volume  0.99147E-02 ppm1      2.017 ppm2      7.118 CV     1
 ASSI {  277}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak   277 weight  0.10000E+01 volume  0.73361E-02 ppm1      1.988 ppm2      8.298 CV     1
 ASSI {  278}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 57   and name HN  ))
      1.900     0.400     0.400 peak   278 weight  0.10000E+01 volume  0.21095E-01 ppm1      1.986 ppm2      7.443 CV     1
 ASSI {  279}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HN  ))
      2.100     0.500     0.500 peak   279 weight  0.10000E+01 volume  0.12567E-01 ppm1      1.921 ppm2      7.440 CV     1
 ASSI {  280}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   280 weight  0.10000E+01 volume  0.21462E-02 ppm1      1.916 ppm2      8.303 CV     1
 ASSI {  282}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 93   and name HN  ))
      2.200     0.600     0.600 peak   282 weight  0.10000E+01 volume  0.75240E-02 ppm1      2.380 ppm2      9.338 CV     1
 ASSI {  283}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 69   and name HN  ))
      2.200     0.600     0.600 peak   283 weight  0.10000E+01 volume  0.86652E-02 ppm1      1.761 ppm2      7.523 CV     1
 ASSI {  285}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 91   and name HN  ))
      2.900     1.000     1.000 peak   285 weight  0.10000E+01 volume  0.16655E-02 ppm1      2.051 ppm2      7.285 CV     1
 ASSI {  286}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      2.000     0.500     0.500 peak   286 weight  0.10000E+01 volume  0.16774E-01 ppm1      2.398 ppm2      9.104 CV     1
 ASSI {  287}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak   287 weight  0.10000E+01 volume  0.41838E-02 ppm1      2.401 ppm2      8.924 CV     1
 ASSI {  289}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 99   and name HN  ))
      1.900     0.500     0.500 peak   289 weight  0.10000E+01 volume  0.17323E-01 ppm1      1.815 ppm2      7.395 CV     1
 ASSI {  291}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak   291 weight  0.10000E+01 volume  0.18723E-02 ppm1      1.492 ppm2      8.135 CV     1
 ASSI {  293}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   293 weight  0.10000E+01 volume  0.34366E-02 ppm1      2.123 ppm2      9.114 CV     1
 ASSI {  294}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 73   and name HN  ))
      2.400     0.700     0.700 peak   294 weight  0.10000E+01 volume  0.51967E-02 ppm1      1.665 ppm2      9.114 CV     1
 ASSI {  295}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HN  ))
      2.300     0.600     0.600 peak   295 weight  0.10000E+01 volume  0.71270E-02 ppm1      1.931 ppm2      7.522 CV     1
 ASSI {  297}
   (( segid "    " and resid 67   and name HB# ))
   (( segid "    " and resid 67   and name HN  ))
      2.200     0.600     0.600 peak   297 weight  0.10000E+01 volume  0.83761E-02 ppm1      1.640 ppm2      8.536 CV     1
 ASSI {  299}
   (( segid "    " and resid 9    and name HB# ))
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   299 weight  0.10000E+01 volume  0.76364E-02 ppm1      2.137 ppm2      7.620 CV     1
 ASSI {  301}
   (( segid "    " and resid 23   and name HG1#))
   (( segid "    " and resid 23   and name HN  ))
      2.100     0.500     0.500 peak   301 weight  0.10000E+01 volume  0.11904E-01 ppm1      1.812 ppm2      8.305 CV     1
 ASSI {  302}
   (( segid "    " and resid 23   and name HG1#))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   302 weight  0.10000E+01 volume  0.20521E-02 ppm1      1.205 ppm2      8.299 CV     1
 ASSI {  303}
   (( segid "    " and resid 19   and name HB# ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   303 weight  0.10000E+01 volume  0.37416E-02 ppm1      2.359 ppm2      7.767 CV     1
 ASSI {  308}
   (( segid "    " and resid 75   and name HB# ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak   308 weight  0.10000E+01 volume  0.86870E-03 ppm1      2.042 ppm2      8.796 CV     1
 ASSI {  310}
   (( segid "    " and resid 61   and name HB# ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak   310 weight  0.10000E+01 volume  0.23889E-02 ppm1      2.552 ppm2      8.113 CV     1
 ASSI {  312}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 99   and name HN  ))
      2.300     0.600     0.600 peak   312 weight  0.10000E+01 volume  0.67979E-02 ppm1      2.336 ppm2      7.392 CV     1
 ASSI {  313}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 98   and name HN  ))
      1.900     0.500     0.500 peak   313 weight  0.10000E+01 volume  0.17815E-01 ppm1      2.331 ppm2      8.412 CV     1
 ASSI {  315}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 99   and name HN  ))
      2.300     0.700     0.700 peak   315 weight  0.10000E+01 volume  0.63077E-02 ppm1      2.285 ppm2      7.394 CV     1
 ASSI {  316}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     1.600     1.600 peak   316 weight  0.10000E+01 volume  0.48809E-03 ppm1      1.625 ppm2      7.767 CV     1
 ASSI {  317}
   (( segid "    " and resid 95   and name HB# ))
   (( segid "    " and resid 96   and name HN  ))
      2.300     0.700     0.700 peak   317 weight  0.10000E+01 volume  0.60966E-02 ppm1      2.394 ppm2      8.408 CV     1
 ASSI {  318}
   (( segid "    " and resid 95   and name HB# ))
   (( segid "    " and resid 92   and name HN  ))
      2.300     0.700     0.700 peak   318 weight  0.10000E+01 volume  0.67015E-02 ppm1      2.400 ppm2      8.185 CV     1
 ASSI {  319}
   (( segid "    " and resid 95   and name HB# ))
   (( segid "    " and resid 95   and name HN  ))
      2.100     0.500     0.500 peak   319 weight  0.10000E+01 volume  0.11207E-01 ppm1      2.397 ppm2      7.990 CV     1
 ASSI {  320}
   (( segid "    " and resid 95   and name HB# ))
   (( segid "    " and resid 96   and name HN  ))
      2.400     0.700     0.700 peak   320 weight  0.10000E+01 volume  0.45142E-02 ppm1      2.140 ppm2      8.400 CV     1
 ASSI {  322}
   (( segid "    " and resid 69   and name HG# ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.600     0.600 peak   322 weight  0.10000E+01 volume  0.97855E-02 ppm1      1.900 ppm2      7.524 CV     1
 ASSI {  326}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 86   and name HN  ))
      2.200     0.600     0.600 peak   326 weight  0.10000E+01 volume  0.76957E-02 ppm1      1.535 ppm2      8.497 CV     1
 ASSI {  329}
   (( segid "    " and resid 119  and name HG  ))
   (( segid "    " and resid 119  and name HN  ))
      3.100     1.200     1.200 peak   329 weight  0.10000E+01 volume  0.10609E-02 ppm1      1.462 ppm2      7.397 CV     1
 ASSI {  330}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak   330 weight  0.10000E+01 volume  0.82490E-02 ppm1      1.802 ppm2      7.577 CV     1
 ASSI {  332}
   (( segid "    " and resid 70   and name HG1#))
   (( segid "    " and resid 70   and name HN  ))
      2.200     0.600     0.600 peak   332 weight  0.10000E+01 volume  0.80134E-02 ppm1      1.328 ppm2      7.499 CV     1
 ASSI {  333}
   (( segid "    " and resid 70   and name HG1#))
   (( segid "    " and resid 70   and name HN  ))
      2.100     0.500     0.500 peak   333 weight  0.10000E+01 volume  0.12411E-01 ppm1      0.954 ppm2      7.496 CV     1
 ASSI {  334}
   (( segid "    " and resid 73   and name HG# ))
   (( segid "    " and resid 73   and name HN  ))
      1.900     0.500     0.500 peak   334 weight  0.10000E+01 volume  0.18840E-01 ppm1      1.771 ppm2      9.120 CV     1
 ASSI {  336}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 96   and name HN  ))
      2.500     0.800     0.800 peak   336 weight  0.10000E+01 volume  0.40376E-02 ppm1      1.839 ppm2      8.403 CV     1
 ASSI {  343}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak   343 weight  0.10000E+01 volume  0.10375E-02 ppm1      0.849 ppm2      7.805 CV     1
 ASSI {  350}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak   350 weight  0.10000E+01 volume  0.16829E-02 ppm1      0.999 ppm2      8.725 CV     1
 ASSI {  353}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 108  and name HN  ))
      2.300     0.700     0.700 peak   353 weight  0.10000E+01 volume  0.64135E-02 ppm1      0.880 ppm2      8.860 CV     1
 ASSI {  355}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 112  and name HN  ))
      2.600     0.800     0.800 peak   355 weight  0.10000E+01 volume  0.32968E-02 ppm1      0.820 ppm2      9.284 CV     1
 ASSI {  356}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 79   and name HN  ))
      2.100     0.600     0.600 peak   356 weight  0.10000E+01 volume  0.10716E-01 ppm1      0.822 ppm2      9.163 CV     1
 ASSI {  357}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HN  ))
      3.400     1.400     1.400 peak   357 weight  0.10000E+01 volume  0.19072E-02 ppm1      0.821 ppm2      6.948 CV     1
 ASSI {  359}
   (  segid "    " and resid 78   and name HD# )
   (  segid "    " and resid 80   and name HE% )
      2.100     0.600     0.600 peak   359 weight  0.10000E+01 volume  0.10110E-01 ppm1      0.820 ppm2      6.681 CV     1
 ASSI {  360}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak   360 weight  0.10000E+01 volume  0.52380E-02 ppm1      3.684 ppm2      9.106 CV     1
 ASSI {  361}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.300     1.300 peak   361 weight  0.10000E+01 volume  0.58581E-02 ppm1      3.686 ppm2      8.874 CV     1
 OR { 361}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  371}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 110  and name HN  ))
      2.100     0.500     0.500 peak   371 weight  0.10000E+01 volume  0.11198E-01 ppm1      1.560 ppm2      9.010 CV     1
 ASSI {  372}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 111  and name HN  ))
      2.400     0.700     0.700 peak   372 weight  0.10000E+01 volume  0.53768E-02 ppm1      1.560 ppm2      8.515 CV     1
 ASSI {  374}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 5    and name HZ  ))
      2.300     0.600     0.600 peak   374 weight  0.10000E+01 volume  0.69459E-02 ppm1      1.560 ppm2      7.234 CV     1
 OR {  374}
   (  segid "    " and resid 110  and name HB% )
   (  segid "    " and resid 5    and name HD% )
 ASSI {  377}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 110  and name HA  ))
      1.900     0.400     0.400 peak   377 weight  0.10000E+01 volume  0.21948E-01 ppm1      1.560 ppm2      6.504 CV     1
 ASSI {  379}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.100     1.100 peak   379 weight  0.10000E+01 volume  0.13653E-02 ppm1      1.376 ppm2      8.924 CV     1
 ASSI {  380}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 89   and name HN  ))
      2.100     0.600     0.600 peak   380 weight  0.10000E+01 volume  0.10024E-01 ppm1      1.376 ppm2      8.593 CV     1
 ASSI {  384}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.800     0.800 peak   384 weight  0.10000E+01 volume  0.33583E-02 ppm1      3.880 ppm2      8.927 CV     1
 ASSI {  385}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   385 weight  0.10000E+01 volume  0.28937E-03 ppm1      3.765 ppm2      7.716 CV     1
 ASSI {  386}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak   386 weight  0.10000E+01 volume  0.62932E-02 ppm1      3.764 ppm2      8.302 CV     1
 ASSI {  388}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak   388 weight  0.10000E+01 volume  0.54591E-02 ppm1      0.898 ppm2      8.699 CV     1
 ASSI {  390}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 111  and name HE% )
      2.000     0.500     0.500 peak   390 weight  0.10000E+01 volume  0.13584E-01 ppm1      0.899 ppm2      6.644 CV     1
 ASSI {  392}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 35   and name HA  ))
      2.000     0.500     0.500 peak   392 weight  0.10000E+01 volume  0.14399E-01 ppm1      0.899 ppm2      5.724 CV     1
 ASSI {  396}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 62   and name HE% )
      2.100     0.600     0.600 peak   396 weight  0.10000E+01 volume  0.10315E-01 ppm1      0.827 ppm2      6.516 CV     1
 ASSI {  398}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 35   and name HA  ))
      2.000     0.500     0.500 peak   398 weight  0.10000E+01 volume  0.12855E-01 ppm1      0.827 ppm2      5.726 CV     1
 ASSI {  399}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 35   and name HN  ))
      2.400     0.700     0.700 peak   399 weight  0.10000E+01 volume  0.46131E-02 ppm1      0.826 ppm2      9.115 CV     1
 ASSI {  406}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 60   and name HN  ))
      2.400     0.700     0.700 peak   406 weight  0.10000E+01 volume  0.51618E-02 ppm1      0.864 ppm2      8.921 CV     1
 ASSI {  407}
   (  segid "    " and resid 59   and name HG# )
   (  segid "    " and resid 80   and name HD% )
      2.100     0.600     0.600 peak   407 weight  0.10000E+01 volume  0.11157E-01 ppm1      0.863 ppm2      6.811 CV     1
 ASSI {  409}
   (  segid "    " and resid 59   and name HG# )
   (  segid "    " and resid 63   and name HE% )
      2.100     0.500     0.500 peak   409 weight  0.10000E+01 volume  0.12476E-01 ppm1      0.863 ppm2      6.132 CV     1
 ASSI {  410}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 34   and name HN  ))
      2.100     0.600     0.600 peak   410 weight  0.10000E+01 volume  0.96373E-02 ppm1      0.641 ppm2      8.778 CV     1
 ASSI {  414}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 59   and name HN  ))
      2.500     0.800     0.800 peak   414 weight  0.10000E+01 volume  0.37657E-02 ppm1      1.271 ppm2      9.105 CV     1
 ASSI {  423}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak   423 weight  0.10000E+01 volume  0.22295E-02 ppm1      0.833 ppm2      9.347 CV     1
 ASSI {  425}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 86   and name HN  ))
      2.300     0.600     0.600 peak   425 weight  0.10000E+01 volume  0.73168E-02 ppm1      0.974 ppm2      8.494 CV     1
 ASSI {  426}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 85   and name HN  ))
      2.300     0.700     0.700 peak   426 weight  0.10000E+01 volume  0.61218E-02 ppm1      0.974 ppm2      8.185 CV     1
 ASSI {  427}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.200     0.600     0.600 peak   427 weight  0.10000E+01 volume  0.81115E-02 ppm1      3.857 ppm2      9.019 CV     1
 ASSI {  430}
   (( segid "    " and resid 18   and name HB# ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   430 weight  0.10000E+01 volume  0.67243E-02 ppm1      4.008 ppm2      7.598 CV     1
 ASSI {  431}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   431 weight  0.10000E+01 volume  0.40399E-02 ppm1      3.727 ppm2      8.354 CV     1
 ASSI {  432}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   432 weight  0.10000E+01 volume  0.43904E-02 ppm1      3.657 ppm2      8.352 CV     1
 ASSI {  433}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 117  and name HN  ))
      2.500     0.800     0.800 peak   433 weight  0.10000E+01 volume  0.40641E-02 ppm1      0.752 ppm2      8.230 CV     1
 ASSI {  434}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 116  and name HN  ))
      2.600     0.800     0.800 peak   434 weight  0.10000E+01 volume  0.31869E-02 ppm1      0.752 ppm2      6.982 CV     1
 ASSI {  435}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.000     1.000 peak   435 weight  0.10000E+01 volume  0.17023E-02 ppm1      1.606 ppm2      8.897 CV     1
 ASSI {  436}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 113  and name HN  ))
      2.300     0.700     0.700 peak   436 weight  0.10000E+01 volume  0.59418E-02 ppm1      1.603 ppm2      9.434 CV     1
 ASSI {  439}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   439 weight  0.10000E+01 volume  0.44225E-02 ppm1      1.604 ppm2      6.933 CV     1
 ASSI {  443}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak   443 weight  0.10000E+01 volume  0.19585E-02 ppm1      0.643 ppm2      9.341 CV     1
 ASSI {  448}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak   448 weight  0.10000E+01 volume  0.24657E-02 ppm1      0.981 ppm2      8.499 CV     1
 ASSI {  451}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.000     0.500     0.500 peak   451 weight  0.10000E+01 volume  0.14308E-01 ppm1      4.032 ppm2      7.359 CV     1
 OR {  451}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HD% )
 ASSI {  452}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.200     0.600     0.600 peak   452 weight  0.10000E+01 volume  0.90399E-02 ppm1      3.944 ppm2      9.118 CV     1
 ASSI {  453}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 80   and name HE% )
      2.800     1.000     1.000 peak   453 weight  0.10000E+01 volume  0.19899E-02 ppm1      3.944 ppm2      6.656 CV     1
 ASSI {  454}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 80   and name HZ  ))
      2.000     0.500     0.500 peak   454 weight  0.10000E+01 volume  0.13712E-01 ppm1      3.945 ppm2      6.395 CV     1
 ASSI {  458}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak   458 weight  0.10000E+01 volume  0.43302E-02 ppm1      3.432 ppm2      7.816 CV     1
 ASSI {  464}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      2.400     0.700     0.700 peak   464 weight  0.10000E+01 volume  0.45248E-02 ppm1      4.136 ppm2      6.983 CV     1
 ASSI {  465}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      1.900     0.500     0.500 peak   465 weight  0.10000E+01 volume  0.18766E-01 ppm1      3.605 ppm2      7.869 CV     1
 ASSI {  466}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   466 weight  0.10000E+01 volume  0.36144E-02 ppm1      3.702 ppm2      8.351 CV     1
 ASSI {  468}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 91   and name HN  ))
      1.900     0.400     0.400 peak   468 weight  0.10000E+01 volume  0.20792E-01 ppm1      1.507 ppm2      7.285 CV     1
 ASSI {  469}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.400     0.700     0.700 peak   469 weight  0.10000E+01 volume  0.47321E-02 ppm1      3.700 ppm2      9.462 CV     1
 ASSI {  472}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.100     1.100 peak   472 weight  0.10000E+01 volume  0.15029E-02 ppm1      0.871 ppm2      8.306 CV     1
 ASSI {  473}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   473 weight  0.10000E+01 volume  0.37500E-02 ppm1      0.872 ppm2      7.766 CV     1
 ASSI {  476}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 43   and name HN  ))
      2.300     0.600     0.600 peak   476 weight  0.10000E+01 volume  0.72718E-02 ppm1      1.107 ppm2      6.932 CV     1
 ASSI {  480}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak   480 weight  0.10000E+01 volume  0.13641E-02 ppm1      4.451 ppm2      6.930 CV     1
 ASSI {  481}
   (  segid "    " and resid 70   and name HG# )
   (( segid "    " and resid 44   and name HN  ))
      3.000     1.100     1.100 peak   481 weight  0.10000E+01 volume  0.13621E-02 ppm1      0.740 ppm2      8.297 CV     1
 ASSI {  482}
   (  segid "    " and resid 70   and name HG# )
   (( segid "    " and resid 70   and name HN  ))
      2.200     0.600     0.600 peak   482 weight  0.10000E+01 volume  0.90438E-02 ppm1      0.740 ppm2      7.500 CV     1
 ASSI {  483}{, calib: n328}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   483 weight  0.10000E+01 volume  0.11730E-01 ppm1      3.764 ppm2      9.564 CV     1
 ASSI {  485}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 111  and name HN  ))
      3.000     1.100     1.100 peak   485 weight  0.10000E+01 volume  0.13206E-02 ppm1      1.205 ppm2      8.507 CV     1
 ASSI {  486} {recal n 722}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.200     1.200 peak   486 weight  0.10000E+01 volume  0.23417E-02 ppm1      1.207 ppm2      7.466 CV     1
 ASSI {  487}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 112  and name HG  ))
      2.800     1.000     1.000 peak   487 weight  0.10000E+01 volume  0.21593E-02 ppm1      1.202 ppm2      6.512 CV     1
 ASSI {  488}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.100     0.600     0.600 peak   488 weight  0.10000E+01 volume  0.99089E-02 ppm1      3.885 ppm2      7.405 CV     1
 OR {  488}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  489}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.200     0.600     0.600 peak   489 weight  0.10000E+01 volume  0.91241E-02 ppm1      3.184 ppm2      8.663 CV     1
 ASSI {  492}
   (  segid "    " and resid 66   and name HG# )
   (  segid "    " and resid 80   and name HE% )
      2.200     0.600     0.600 peak   492 weight  0.10000E+01 volume  0.91837E-02 ppm1      0.361 ppm2      6.656 CV     1
 ASSI {  494}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.500     0.800     0.800 peak   494 weight  0.10000E+01 volume  0.99300E-02 ppm1      4.066 ppm2      8.411 CV     1
 ASSI {  496}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 83   and name HN  ))
      2.800     1.000     1.000 peak   496 weight  0.10000E+01 volume  0.20500E-02 ppm1      1.627 ppm2      9.837 CV     1
 ASSI {  498}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.200     1.200 peak   498 weight  0.10000E+01 volume  0.97358E-03 ppm1      1.627 ppm2      8.167 CV     1
 ASSI {  504}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.200     0.600     0.600 peak   504 weight  0.10000E+01 volume  0.74846E-02 ppm1      4.157 ppm2      7.991 CV     1
 ASSI {  506}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 118  and name HN  ))
      2.300     0.600     0.600 peak   506 weight  0.10000E+01 volume  0.68368E-02 ppm1      3.722 ppm2      7.546 CV     1
 ASSI {  508}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 110  and name HN  ))
      2.200     0.600     0.600 peak   508 weight  0.10000E+01 volume  0.89526E-02 ppm1      0.472 ppm2      9.016 CV     1
 ASSI {  518}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.000     1.000 peak   518 weight  0.10000E+01 volume  0.17570E-02 ppm1      4.278 ppm2      7.359 CV     1
 OR {  518}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 64   and name HD% )
 ASSI {  519}{ calib n188}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.300     0.600     0.600 peak   519 weight  0.10000E+01 volume  0.11350E-01 ppm1      3.939 ppm2      7.567 CV     1
 OR { 519}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI {  523}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 81   and name HZ  ))
      1.900     0.500     0.500 peak   523 weight  0.10000E+01 volume  0.17527E-01 ppm1      3.398 ppm2      7.180 CV     1
 OR {  523}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 81   and name HE# ))
 ASSI {  525}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.700     0.700 peak   525 weight  0.10000E+01 volume  0.45903E-02 ppm1      4.499 ppm2      8.394 CV     1
 ASSI {  527}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak   527 weight  0.10000E+01 volume  0.12059E-01 ppm1      3.815 ppm2      7.722 CV     1
 ASSI {  531}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      3.000     1.100     1.100 peak   531 weight  0.10000E+01 volume  0.12450E-02 ppm1      4.429 ppm2      7.283 CV     1
 ASSI {  532}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 100  and name HD# ))
      2.000     0.500     0.500 peak   532 weight  0.10000E+01 volume  0.14312E-01 ppm1      4.256 ppm2      6.946 CV     1
 ASSI {  533}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      2.300     0.700     0.700 peak   533 weight  0.10000E+01 volume  0.63476E-02 ppm1      4.254 ppm2      8.402 CV     1
 ASSI {  535}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 43   and name HN  ))
      2.900     1.000     1.000 peak   535 weight  0.10000E+01 volume  0.16501E-02 ppm1      1.137 ppm2      6.921 CV     1
 ASSI {  540}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      1.900     0.500     0.500 peak   540 weight  0.10000E+01 volume  0.18965E-01 ppm1      4.276 ppm2      8.823 CV     1
 ASSI {  541}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   541 weight  0.10000E+01 volume  0.88050E-02 ppm1      4.156 ppm2      7.616 CV     1
 ASSI {  542}{symcalib n418}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak   542 weight  0.10000E+01 volume  0.99950E-02 ppm1      4.105 ppm2      8.794 CV     1
 ASSI {  544}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      1.900     0.500     0.500 peak   544 weight  0.10000E+01 volume  0.18604E-01 ppm1      4.470 ppm2      8.598 CV     1
 ASSI {  551}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      1.900     0.400     0.400 peak   551 weight  0.10000E+01 volume  0.22140E-01 ppm1      4.220 ppm2      7.501 CV     1
 ASSI {  552}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   552 weight  0.10000E+01 volume  0.78622E-02 ppm1      4.028 ppm2      7.763 CV     1
 ASSI {  557}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      1.700     0.400     0.500 peak   557 weight  0.10000E+01 volume  0.37392E-01 ppm1      3.064 ppm2      8.892 CV     1
 ASSI {  558}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.100     0.600     0.600 peak   558 weight  0.10000E+01 volume  0.10015E-01 ppm1      3.066 ppm2      8.515 CV     1
 ASSI {  560}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     0.600     0.600 peak   560 weight  0.10000E+01 volume  0.74013E-02 ppm1      4.486 ppm2      9.158 CV     1
 ASSI {  561}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.100     0.600     0.600 peak   561 weight  0.10000E+01 volume  0.13931E-01 ppm1      4.486 ppm2      6.938 CV     1
 ASSI {  562}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      1.900     0.400     0.400 peak   562 weight  0.10000E+01 volume  0.20981E-01 ppm1      4.217 ppm2      8.063 CV     1
 ASSI {  563}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 117  and name HE% )
      2.100     0.600     0.600 peak   563 weight  0.10000E+01 volume  0.10738E-01 ppm1      4.216 ppm2      6.597 CV     1
 ASSI {  564}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.100     0.500     0.500 peak   564 weight  0.10000E+01 volume  0.24680E-01 ppm1      4.056 ppm2      8.169 CV     1
 ASSI {  565}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.200 peak   565 weight  0.10000E+01 volume  0.19342E-02 ppm1      0.824 ppm2      8.497 CV     1
 ASSI {  566}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 81   and name HZ  ))
      2.100     0.600     0.600 peak   566 weight  0.10000E+01 volume  0.10215E-01 ppm1      0.824 ppm2      7.193 CV     1
 OR {  566}
   (  segid "    " and resid 86   and name HD# )
   (  segid "    " and resid 81   and name HE% )
 ASSI {  569}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      1.800     0.400     0.400 peak   569 weight  0.10000E+01 volume  0.27757E-01 ppm1      4.282 ppm2      8.723 CV     1
 ASSI {  571}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   571 weight  0.10000E+01 volume  0.49765E-02 ppm1      4.401 ppm2      8.691 CV     1
 ASSI {  572}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.400     0.700     0.700 peak   572 weight  0.10000E+01 volume  0.44955E-02 ppm1      4.367 ppm2      9.113 CV     1
 ASSI {  573}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.300     0.600     0.600 peak   573 weight  0.10000E+01 volume  0.27526E-01 ppm1      4.329 ppm2      9.838 CV     1
 ASSI {  574 }{calib n1399}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.600     0.800     0.800 peak   574 weight  0.10000E+01 volume  0.15451E-01 ppm1      4.328 ppm2      8.168 CV     1
 ASSI {  577}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      1.800     0.400     0.400 peak   577 weight  0.10000E+01 volume  0.29199E-01 ppm1      4.487 ppm2      9.116 CV     1
 ASSI {  580}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      1.800     0.400     0.400 peak   580 weight  0.10000E+01 volume  0.28398E-01 ppm1      4.487 ppm2      9.163 CV     1
 ASSI {  581}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.100     0.600     0.600 peak   581 weight  0.10000E+01 volume  0.99979E-02 ppm1      4.489 ppm2      7.456 CV     1
 ASSI {  582}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak   582 weight  0.10000E+01 volume  0.77105E-02 ppm1      4.041 ppm2      8.473 CV     1
 ASSI {  583}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      1.800     0.400     0.400 peak   583 weight  0.10000E+01 volume  0.28065E-01 ppm1      4.041 ppm2      6.970 CV     1
 ASSI {  585}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.000     1.000 peak   585 weight  0.10000E+01 volume  0.17081E-02 ppm1      4.419 ppm2      8.900 CV     1
 ASSI {  587}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 86   and name HA  ))
      1.900     0.500     0.500 peak   587 weight  0.10000E+01 volume  0.19898E-01 ppm1      4.095 ppm2      5.199 CV     1
 ASSI {  588}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 86   and name HA  ))
      1.900     0.400     0.400 peak   588 weight  0.10000E+01 volume  0.20998E-01 ppm1      3.944 ppm2      5.198 CV     1
 ASSI {  591}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak   591 weight  0.10000E+01 volume  0.18608E-02 ppm1      3.625 ppm2      8.557 CV     1
 ASSI {  592}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 27   and name HA  ))
      1.900     0.400     0.400 peak   592 weight  0.10000E+01 volume  0.20426E-01 ppm1      3.625 ppm2      5.092 CV     1
 ASSI {  593}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 27   and name HA  ))
      2.000     0.500     0.500 peak   593 weight  0.10000E+01 volume  0.12867E-01 ppm1      3.289 ppm2      5.089 CV     1
 ASSI {  594}
   (  segid "    " and resid 66   and name HD# )
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak   594 weight  0.10000E+01 volume  0.35291E-02 ppm1     -0.117 ppm2      7.818 CV     1
 ASSI {  598}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 76   and name HB# ))
      2.200     0.600     0.600 peak   598 weight  0.10000E+01 volume  0.80138E-02 ppm1      1.692 ppm2      2.762 CV     1
 ASSI {  599}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 73   and name HD# ))
      3.000     1.100     1.100 peak   599 weight  0.10000E+01 volume  0.12487E-02 ppm1      1.700 ppm2      3.284 CV     1
 ASSI {  622}
   (( segid "    " and resid 21   and name HB# ))
   (( segid "    " and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   622 weight  0.10000E+01 volume  0.11106E-01 ppm1      1.923 ppm2      3.183 CV     1
 ASSI {  630}
   (( segid "    " and resid 26   and name HD# ))
   (( segid "    " and resid 26   and name HE# ))
      2.000     0.500     0.500 peak   630 weight  0.10000E+01 volume  0.13363E-01 ppm1      1.450 ppm2      2.786 CV     1
 ASSI {  633}
   (( segid "    " and resid 54   and name HG# ))
   (( segid "    " and resid 54   and name HB# ))
      2.400     0.700     0.700 peak   633 weight  0.10000E+01 volume  0.56024E-02 ppm1      1.906 ppm2      2.550 CV     1
 ASSI {  637}
   (( segid "    " and resid 42   and name HG# ))
   (( segid "    " and resid 42   and name HD# ))
      2.500     0.800     0.800 peak   637 weight  0.10000E+01 volume  0.34933E-02 ppm1      1.690 ppm2      3.297 CV     1
 ASSI {  640}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 54   and name HB# ))
      3.300     1.300     1.300 peak   640 weight  0.10000E+01 volume  0.80367E-03 ppm1      1.301 ppm2      2.550 CV     1
 ASSI {  643}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 28   and name HD# ))
      2.100     0.500     0.500 peak   643 weight  0.10000E+01 volume  0.11286E-01 ppm1      1.947 ppm2      3.286 CV     1
 ASSI {  646}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 28   and name HB# ))
      2.100     0.500     0.500 peak   646 weight  0.10000E+01 volume  0.11771E-01 ppm1      1.906 ppm2      2.328 CV     1
 ASSI {  647}
   (( segid "    " and resid 73   and name HG# ))
   (( segid "    " and resid 73   and name HD# ))
      1.800     0.400     0.400 peak   647 weight  0.10000E+01 volume  0.27727E-01 ppm1      1.772 ppm2      3.265 CV     1
 ASSI {  649}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 62   and name HB# ))
      2.500     0.800     0.800 peak   649 weight  0.10000E+01 volume  0.42041E-02 ppm1      0.898 ppm2      3.139 CV     1
 ASSI {  652}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 76   and name HB# ))
      2.200     0.600     0.600 peak   652 weight  0.10000E+01 volume  0.78019E-02 ppm1      0.848 ppm2      2.782 CV     1
 ASSI {  654}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 32   and name HD# ))
      2.200     0.600     0.600 peak   654 weight  0.10000E+01 volume  0.77249E-02 ppm1      1.434 ppm2      3.361 CV     1
 ASSI {  658}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 61   and name HB# ))
      2.100     0.500     0.500 peak   658 weight  0.10000E+01 volume  0.11319E-01 ppm1      0.999 ppm2      2.532 CV     1
 ASSI {  662}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 100  and name HB# ))
      2.200     0.600     0.600 peak   662 weight  0.10000E+01 volume  0.83769E-02 ppm1      0.882 ppm2      3.078 CV     1
 ASSI {  664}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 111  and name HB# ))
      2.200     0.600     0.600 peak   664 weight  0.10000E+01 volume  0.91072E-02 ppm1      0.821 ppm2      3.263 CV     1
 ASSI {  666}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 76   and name HB# ))
      2.600     0.900     0.900 peak   666 weight  0.10000E+01 volume  0.30194E-02 ppm1      0.896 ppm2      2.845 CV     1
 ASSI {  668}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 81   and name HB# ))
      2.200     0.600     0.600 peak   668 weight  0.10000E+01 volume  0.92025E-02 ppm1      1.560 ppm2      2.788 CV     1
 ASSI {  674}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 51   and name HB# ))
      2.600     0.900     0.900 peak   674 weight  0.10000E+01 volume  0.29106E-02 ppm1      0.855 ppm2      2.642 CV     1
 ASSI {  675}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 97   and name HB# ))
      2.000     0.500     0.500 peak   675 weight  0.10000E+01 volume  0.13856E-01 ppm1      0.378 ppm2      3.315 CV     1
 ASSI {  676}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 97   and name HB# ))
      2.400     0.700     0.700 peak   676 weight  0.10000E+01 volume  0.49913E-02 ppm1      0.378 ppm2      3.044 CV     1
 ASSI {  686}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 95   and name HB# ))
      2.200     0.600     0.600 peak   686 weight  0.10000E+01 volume  0.83272E-02 ppm1      1.507 ppm2      2.403 CV     1
 ASSI {  689}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 32   and name HD# ))
      2.400     0.700     0.700 peak   689 weight  0.10000E+01 volume  0.49003E-02 ppm1      0.872 ppm2      3.351 CV     1
 ASSI {  690}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 27   and name HB# ))
      3.000     1.100     1.100 peak   690 weight  0.10000E+01 volume  0.14004E-02 ppm1      0.870 ppm2      2.895 CV     1
 ASSI {  697}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 81   and name HB# ))
      2.400     0.700     0.700 peak   697 weight  0.10000E+01 volume  0.49600E-02 ppm1      1.627 ppm2      2.790 CV     1
 ASSI {  698}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 81   and name HB# ))
      2.400     0.700     0.700 peak   698 weight  0.10000E+01 volume  0.48914E-02 ppm1      1.626 ppm2      2.654 CV     1
 ASSI {  701}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 80   and name HB# ))
      2.200     0.600     0.600 peak   701 weight  0.10000E+01 volume  0.94493E-02 ppm1      0.471 ppm2      2.922 CV     1
 ASSI {  706}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 62   and name HB# ))
      3.200     1.200     1.200 peak   706 weight  0.10000E+01 volume  0.95770E-03 ppm1      0.984 ppm2      3.131 CV     1
 ASSI {  707}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 93   and name HG# ))
      2.300     0.700     0.700 peak   707 weight  0.10000E+01 volume  0.62120E-02 ppm1      0.984 ppm2      2.383 CV     1
 ASSI {  709}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 19   and name HG# ))
      2.100     0.500     0.500 peak   709 weight  0.10000E+01 volume  0.11911E-01 ppm1      0.880 ppm2      2.345 CV     1
 ASSI {  712}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 79   and name HB# ))
      2.700     0.900     0.900 peak   712 weight  0.10000E+01 volume  0.27314E-02 ppm1      0.823 ppm2      2.511 CV     1
 ASSI {  715}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 107  and name HG  ))
      2.500     0.800     0.800 peak   715 weight  0.10000E+01 volume  0.39600E-02 ppm1      0.376 ppm2      0.771 CV     1
 ASSI {  721}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 109  and name HG1#))
      1.900     0.500     0.500 peak   721 weight  0.10000E+01 volume  0.17818E-01 ppm1      0.300 ppm2      1.328 CV     1
 ASSI {  727}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 50   and name HB# ))
      2.900     1.100     1.100 peak   727 weight  0.10000E+01 volume  0.12687E-01 ppm1     -0.565 ppm2      1.229 CV     1
 ASSI {  728}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 50   and name HG# ))
      3.100     1.200     1.200 peak   728 weight  0.10000E+01 volume  0.10441E-02 ppm1     -0.565 ppm2      1.009 CV     1
 ASSI {  729}
   (  segid "    " and resid 34   and name HD# )
   (  segid "    " and resid 34   and name HG# )
      2.000     0.500     0.500 peak   729 weight  0.10000E+01 volume  0.16086E-01 ppm1     -0.565 ppm2      0.649 CV     1
 ASSI {  731}
   (  segid "    " and resid 66   and name HD# )
   (  segid "    " and resid 35   and name HG# )
      1.900     0.400     0.400 peak   731 weight  0.10000E+01 volume  0.23521E-01 ppm1     -0.119 ppm2      0.867 CV     1
 ASSI {  732}
   (  segid "    " and resid 66   and name HD# )
   (( segid "    " and resid 66   and name HG1#))
      2.000     0.500     0.500 peak   732 weight  0.10000E+01 volume  0.15584E-01 ppm1     -0.119 ppm2      0.693 CV     1
 ASSI {  734}
   (( segid "    " and resid 94   and name HA# ))
   (  segid "    " and resid 31   and name HG# )
      2.200     0.600     0.600 peak   734 weight  0.10000E+01 volume  0.80430E-02 ppm1      3.717 ppm2      0.395 CV     1
 ASSI {  741}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 26   and name HG# ))
      2.800     1.000     1.000 peak   741 weight  0.10000E+01 volume  0.19083E-02 ppm1      2.775 ppm2      0.530 CV     1
 ASSI {  742}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 26   and name HG# ))
      2.300     0.700     0.700 peak   742 weight  0.10000E+01 volume  0.64559E-02 ppm1      2.817 ppm2      0.519 CV     1
 ASSI {  747}
   (( segid "    " and resid 97   and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      2.400     0.700     0.700 peak   747 weight  0.10000E+01 volume  0.51640E-02 ppm1      3.307 ppm2      0.394 CV     1
 ASSI {  748}
   (( segid "    " and resid 97   and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      2.100     0.600     0.600 peak   748 weight  0.10000E+01 volume  0.10204E-01 ppm1      3.047 ppm2      0.386 CV     1
 ASSI {  751}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HG1#))
      2.200     0.600     0.600 peak   751 weight  0.10000E+01 volume  0.87748E-02 ppm1      1.275 ppm2      0.106 CV     1
 ASSI {  752}
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 66   and name HG# )
      1.800     0.400     0.400 peak   752 weight  0.10000E+01 volume  0.23899E-01 ppm1      1.784 ppm2      0.375 CV     1
 ASSI {  753}
   (( segid "    " and resid 31   and name HB  ))
   (  segid "    " and resid 31   and name HG# )
      1.800     0.400     0.400 peak   753 weight  0.10000E+01 volume  0.32526E-01 ppm1      1.386 ppm2      0.395 CV     1
 ASSI {  756}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 53   and name HG# )
      2.000     0.500     0.500 peak   756 weight  0.10000E+01 volume  0.14872E-01 ppm1      1.966 ppm2      0.566 CV     1
 ASSI {  759}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 52   and name HD# )
      2.800     1.000     1.000 peak   759 weight  0.10000E+01 volume  0.17782E-02 ppm1      1.202 ppm2      0.463 CV     1
 ASSI {  762}
   (( segid "    " and resid 93   and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      2.700     0.900     0.900 peak   762 weight  0.10000E+01 volume  0.25475E-02 ppm1      1.394 ppm2      0.399 CV     1
 ASSI {  765}
   (( segid "    " and resid 70   and name HG1#))
   (  segid "    " and resid 70   and name HD# )
      1.900     0.400     0.400 peak   765 weight  0.10000E+01 volume  0.22210E-01 ppm1      1.329 ppm2      0.465 CV     1
 ASSI {  767}
   (  segid "    " and resid 57   and name HD# )
   (  segid "    " and resid 53   and name HG# )
      2.500     0.800     0.800 peak   767 weight  0.10000E+01 volume  0.43482E-02 ppm1      0.896 ppm2      0.566 CV     1
 ASSI {  770}
   (  segid "    " and resid 46   and name HD# )
   (  segid "    " and resid 66   and name HG# )
      2.000     0.500     0.500 peak   770 weight  0.10000E+01 volume  0.13244E-01 ppm1      0.892 ppm2      0.364 CV     1
 ASSI {  771}
   (  segid "    " and resid 46   and name HD# )
   (  segid "    " and resid 66   and name HD# )
      2.200     0.600     0.600 peak   771 weight  0.10000E+01 volume  0.80393E-02 ppm1      0.890 ppm2     -0.123 CV     1
 ASSI {  773}
   (  segid "    " and resid 46   and name HD# )
   (  segid "    " and resid 66   and name HG# )
      2.300     0.600     0.600 peak   773 weight  0.10000E+01 volume  0.71872E-02 ppm1      0.973 ppm2      0.363 CV     1
 ASSI {  775}
   (  segid "    " and resid 96   and name HD# )
   (  segid "    " and resid 109  and name HD# )
      3.800     1.800     1.800 peak   775 weight  0.10000E+01 volume  0.30980E-03 ppm1      0.912 ppm2      0.306 CV     1
 ASSI {  787}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 109  and name HG# )
      2.100     0.500     0.500 peak   787 weight  0.10000E+01 volume  0.11621E-01 ppm1      0.899 ppm2      0.467 CV     1
 ASSI {  788}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 66   and name HG# )
      2.300     0.600     0.600 peak   788 weight  0.10000E+01 volume  0.68547E-02 ppm1      0.899 ppm2      0.366 CV     1
 ASSI {  793}
   (( segid "    " and resid 55   and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      3.400     1.400     1.400 peak   793 weight  0.10000E+01 volume  0.66627E-03 ppm1      3.730 ppm2      0.394 CV     1
 ASSI {  796}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HG# )
      2.100     0.500     0.500 peak   796 weight  0.10000E+01 volume  0.12430E-01 ppm1      3.432 ppm2      0.365 CV     1
 ASSI {  797}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD# )
      1.900     0.400     0.400 peak   797 weight  0.10000E+01 volume  0.20563E-01 ppm1      3.431 ppm2     -0.120 CV     1
 ASSI {  798}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 31   and name HG# )
      2.100     0.500     0.500 peak   798 weight  0.10000E+01 volume  0.12006E-01 ppm1      3.701 ppm2      0.400 CV     1
 ASSI {  804}
   (  segid "    " and resid 93   and name HE% )
   (  segid "    " and resid 31   and name HG# )
      2.300     0.600     0.600 peak   804 weight  0.10000E+01 volume  0.69915E-02 ppm1      0.984 ppm2      0.429 CV     1
 ASSI {  805}
   (  segid "    " and resid 93   and name HE% )
   (  segid "    " and resid 109  and name HD# )
      1.900     0.400     0.400 peak   805 weight  0.10000E+01 volume  0.20956E-01 ppm1      0.984 ppm2      0.299 CV     1
 ASSI {  806}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HG# )
      2.000     0.500     0.500 peak   806 weight  0.10000E+01 volume  0.14339E-01 ppm1      4.161 ppm2      0.389 CV     1
 ASSI {  810}
   (  segid "    " and resid 23   and name HD# )
   (  segid "    " and resid 52   and name HD# )
      2.000     0.500     0.500 peak   810 weight  0.10000E+01 volume  0.13808E-01 ppm1      0.880 ppm2      0.457 CV     1
 ASSI {  811}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 31   and name HG# )
      2.700     0.900     0.900 peak   811 weight  0.10000E+01 volume  0.24663E-02 ppm1      3.389 ppm2      0.394 CV     1
 ASSI {  815}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HB# ))
      2.400     0.700     0.700 peak   815 weight  0.10000E+01 volume  0.55852E-02 ppm1      3.131 ppm2      1.444 CV     1
 ASSI {  818}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 17   and name HB# ))
      2.500     0.800     0.800 peak   818 weight  0.10000E+01 volume  0.37391E-02 ppm1      3.353 ppm2      0.906 CV     1
 ASSI {  822}
   (( segid "    " and resid 42   and name HD# ))
   (( segid "    " and resid 42   and name HG# ))
      1.900     0.500     0.500 peak   822 weight  0.10000E+01 volume  0.20088E-01 ppm1      3.195 ppm2      1.709 CV     1
 ASSI {  825}
   (( segid "    " and resid 73   and name HD# ))
   (( segid "    " and resid 73   and name HG# ))
      2.000     0.500     0.500 peak   825 weight  0.10000E+01 volume  0.17183E-01 ppm1      3.240 ppm2      1.770 CV     1
 ASSI {  826}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HG# ))
      2.000     0.500     0.500 peak   826 weight  0.10000E+01 volume  0.14393E-01 ppm1      2.677 ppm2      1.427 CV     1
 OR {  826}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HB# ))
 ASSI {  827}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HG# ))
      2.100     0.500     0.500 peak   827 weight  0.10000E+01 volume  0.11242E-01 ppm1      2.678 ppm2      1.291 CV     1
 ASSI {  828}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 52   and name HG  ))
      2.300     0.600     0.600 peak   828 weight  0.10000E+01 volume  0.72479E-02 ppm1      2.677 ppm2      1.100 CV     1
 ASSI {  829}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HG# ))
      2.000     0.500     0.500 peak   829 weight  0.10000E+01 volume  0.13037E-01 ppm1      2.450 ppm2      1.425 CV     1
 ASSI {  831}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HB# ))
      2.400     0.700     0.700 peak   831 weight  0.10000E+01 volume  0.51014E-02 ppm1      2.449 ppm2      1.110 CV     1
 ASSI {  832}
   (( segid "    " and resid 69   and name HD# ))
   (( segid "    " and resid 69   and name HG# ))
      1.800     0.400     0.400 peak   832 weight  0.10000E+01 volume  0.27073E-01 ppm1      3.288 ppm2      1.898 CV     1
 ASSI {  833}
   (( segid "    " and resid 69   and name HD# ))
   (  segid "    " and resid 46   and name HD# )
      2.700     0.900     0.900 peak   833 weight  0.10000E+01 volume  0.23597E-02 ppm1      3.287 ppm2      0.948 CV     1
 ASSI {  834}
   (( segid "    " and resid 69   and name HD# ))
   (  segid "    " and resid 46   and name HD# )
      2.200     0.600     0.600 peak   834 weight  0.10000E+01 volume  0.76068E-02 ppm1      3.287 ppm2      0.876 CV     1
 ASSI {  835}
   (( segid "    " and resid 67   and name HD# ))
   (( segid "    " and resid 67   and name HB# ))
      1.800     0.400     0.400 peak   835 weight  0.10000E+01 volume  0.26201E-01 ppm1      2.816 ppm2      1.617 CV     1
 ASSI {  838}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 49   and name HG# ))
      2.700     0.900     0.900 peak   838 weight  0.10000E+01 volume  0.25837E-02 ppm1      3.241 ppm2      1.594 CV     1
 ASSI {  839}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 49   and name HG# ))
      2.400     0.700     0.700 peak   839 weight  0.10000E+01 volume  0.49754E-02 ppm1      3.245 ppm2      1.741 CV     1
 ASSI {  847}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 48   and name HD# ))
      2.300     0.700     0.700 peak   847 weight  0.10000E+01 volume  0.63991E-02 ppm1      2.689 ppm2      1.392 CV     1
 ASSI {  848}
   (( segid "    " and resid 48   and name HE# ))
   (( segid "    " and resid 48   and name HG# ))
      2.500     0.800     0.800 peak   848 weight  0.10000E+01 volume  0.36433E-02 ppm1      2.686 ppm2      0.720 CV     1
 ASSI {  862}
   (( segid "    " and resid 25   and name HE# ))
   (( segid "    " and resid 25   and name HG# ))
      2.100     0.500     0.500 peak   862 weight  0.10000E+01 volume  0.12251E-01 ppm1      2.922 ppm2      1.294 CV     1
 ASSI {  871}
   (( segid "    " and resid 25   and name HE# ))
   (( segid "    " and resid 25   and name HG# ))
      2.500     0.800     0.800 peak   871 weight  0.10000E+01 volume  0.35114E-02 ppm1      2.881 ppm2      1.444 CV     1
 ASSI {  873}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 26   and name HG# ))
      2.400     0.700     0.700 peak   873 weight  0.10000E+01 volume  0.44758E-02 ppm1      2.819 ppm2      0.934 CV     1
 ASSI {  875}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 26   and name HD# ))
      2.200     0.600     0.600 peak   875 weight  0.10000E+01 volume  0.91545E-02 ppm1      2.773 ppm2      1.407 CV     1
 ASSI {  877}
   (( segid "    " and resid 37   and name HE# ))
   (( segid "    " and resid 37   and name HB# ))
      1.800     0.400     0.400 peak   877 weight  0.10000E+01 volume  0.32002E-01 ppm1      2.992 ppm2      1.537 CV     1
 ASSI {  878}
   (( segid "    " and resid 37   and name HE# ))
   (  segid "    " and resid 41   and name HB% )
      1.700     0.300     0.500 peak   878 weight  0.10000E+01 volume  0.45639E-01 ppm1      3.006 ppm2      1.624 CV     1
 ASSI {  882}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 50   and name HG# ))
      2.100     0.600     0.600 peak   882 weight  0.10000E+01 volume  0.97788E-02 ppm1      2.773 ppm2      1.218 CV     1
 OR {  882}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 50   and name HB# ))
 ASSI {  883}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 50   and name HG# ))
      2.300     0.700     0.700 peak   883 weight  0.10000E+01 volume  0.59072E-02 ppm1      2.770 ppm2      1.011 CV     1
 ASSI {  884}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 24   and name HG# ))
      2.000     0.500     0.500 peak   884 weight  0.10000E+01 volume  0.14137E-01 ppm1      3.246 ppm2      1.617 CV     1
 ASSI {  885}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 24   and name HG# ))
      1.800     0.400     0.400 peak   885 weight  0.10000E+01 volume  0.33003E-01 ppm1      2.782 ppm2      1.616 CV     1
 ASSI {  887}
   (( segid "    " and resid 113  and name HB# ))
   (  segid "    " and resid 43   and name HG# )
      2.200     0.600     0.600 peak   887 weight  0.10000E+01 volume  0.94057E-02 ppm1      2.710 ppm2      1.118 CV     1
 ASSI {  888}
   (( segid "    " and resid 62   and name HB# ))
   (  segid "    " and resid 59   and name HG# )
      3.200     1.300     1.300 peak   888 weight  0.10000E+01 volume  0.90050E-03 ppm1      3.140 ppm2      0.944 CV     1
 ASSI {  890}
   (( segid "    " and resid 36   and name HG# ))
   (( segid "    " and resid 36   and name HB# ))
      2.000     0.500     0.500 peak   890 weight  0.10000E+01 volume  0.15941E-01 ppm1      2.602 ppm2      1.899 CV     1
 ASSI {  891}
   (( segid "    " and resid 108  and name HB# ))
   (( segid "    " and resid 8    and name HB# ))
      2.200     0.600     0.600 peak   891 weight  0.10000E+01 volume  0.85844E-02 ppm1      2.223 ppm2      1.419 CV     1
 ASSI {  892}
   (( segid "    " and resid 108  and name HB# ))
   (( segid "    " and resid 34   and name HB  ))
      2.200     0.600     0.600 peak   892 weight  0.10000E+01 volume  0.87939E-02 ppm1      2.220 ppm2      1.303 CV     1
 ASSI {  896}
   (( segid "    " and resid 10   and name HG# ))
   (( segid "    " and resid 10   and name HB# ))
      2.100     0.500     0.500 peak   896 weight  0.10000E+01 volume  0.12681E-01 ppm1      2.214 ppm2      1.718 CV     1
 ASSI {  900}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 85   and name HG# )
      1.700     0.400     0.500 peak   900 weight  0.10000E+01 volume  0.37208E-01 ppm1      2.204 ppm2      0.976 CV     1
 ASSI {  905}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 93   and name HB# ))
      2.400     0.700     0.700 peak   905 weight  0.10000E+01 volume  0.49079E-02 ppm1      2.377 ppm2      1.394 CV     1
 ASSI {  906}
   (( segid "    " and resid 93   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      2.800     1.000     1.000 peak   906 weight  0.10000E+01 volume  0.19336E-02 ppm1      2.379 ppm2      0.977 CV     1
 ASSI {  907}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 93   and name HB# ))
      2.400     0.700     0.700 peak   907 weight  0.10000E+01 volume  0.51274E-02 ppm1      2.185 ppm2      1.399 CV     1
 ASSI {  909}
   (( segid "    " and resid 93   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      2.300     0.700     0.700 peak   909 weight  0.10000E+01 volume  0.59778E-02 ppm1      2.187 ppm2      0.975 CV     1
 OR {  912}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 28   and name HG# ))
 ASSI {  917}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG# )
      1.900     0.400     0.400 peak   917 weight  0.10000E+01 volume  0.22916E-01 ppm1      2.242 ppm2      1.002 CV     1
 ASSI {  925}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 32   and name HB# ))
      2.400     0.700     0.700 peak   925 weight  0.10000E+01 volume  0.49896E-02 ppm1      2.530 ppm2      1.856 CV     1
 ASSI {  927}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HG# )
      2.100     0.500     0.500 peak   927 weight  0.10000E+01 volume  0.11726E-01 ppm1      3.681 ppm2      0.857 CV     1
 ASSI {  931}{calib c80+c82}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG# ))
      2.600     0.800     0.800 peak   931 weight  0.10000E+01 volume  0.78597E-02 ppm1      4.234 ppm2      2.021 CV     1
 ASSI {  932}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB# ))
      2.100     0.500     0.500 peak   932 weight  0.10000E+01 volume  0.11450E-01 ppm1      4.235 ppm2      1.820 CV     1
 ASSI {  935}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG1#))
      2.200     0.600     0.600 peak   935 weight  0.10000E+01 volume  0.88449E-02 ppm1      3.765 ppm2      1.812 CV     1
 ASSI {  936}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG1#))
      2.000     0.500     0.500 peak   936 weight  0.10000E+01 volume  0.17004E-01 ppm1      3.765 ppm2      1.211 CV     1
 ASSI {  937}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HG# )
      2.000     0.500     0.500 peak   937 weight  0.10000E+01 volume  0.16966E-01 ppm1      3.765 ppm2      0.876 CV     1
 ASSI {  942}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB# ))
      1.800     0.400     0.400 peak   942 weight  0.10000E+01 volume  0.23817E-01 ppm1      4.033 ppm2      1.630 CV     1
 ASSI {  944}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HG# ))
      2.300     0.700     0.700 peak   944 weight  0.10000E+01 volume  0.57035E-02 ppm1      4.270 ppm2      1.904 CV     1
 OR {  944}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB# ))
 ASSI {  946}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
      2.600     0.800     0.800 peak   946 weight  0.10000E+01 volume  0.11735E-01 ppm1      4.181 ppm2      1.747 CV     1
 ASSI {  947}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG1#))
      2.400     0.700     0.700 peak   947 weight  0.10000E+01 volume  0.48106E-02 ppm1      4.184 ppm2      0.949 CV     1
 ASSI {  952}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB# ))
      2.500     0.800     0.800 peak   952 weight  0.10000E+01 volume  0.37125E-01 ppm1      3.398 ppm2      1.634 CV     1
 ASSI {  953}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 72   and name HB# ))
      2.200     0.600     0.600 peak   953 weight  0.10000E+01 volume  0.77352E-02 ppm1      3.397 ppm2      1.351 CV     1
 ASSI {  954}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG# ))
      2.200     0.600     0.600 peak   954 weight  0.10000E+01 volume  0.84920E-02 ppm1      3.399 ppm2      1.164 CV     1
 ASSI {  955}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 72   and name HD# )
      2.300     0.700     0.700 peak   955 weight  0.10000E+01 volume  0.57149E-02 ppm1      3.398 ppm2      0.854 CV     1
 ASSI {  956}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB# ))
      1.800     0.400     0.400 peak   956 weight  0.10000E+01 volume  0.25353E-01 ppm1      3.885 ppm2      1.939 CV     1
 ASSI {  960}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB# ))
      1.800     0.400     0.400 peak   960 weight  0.10000E+01 volume  0.26763E-01 ppm1      3.184 ppm2      1.908 CV     1
 ASSI {  962}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB# ))
      2.300     0.600     0.600 peak   962 weight  0.10000E+01 volume  0.72437E-02 ppm1      3.723 ppm2      1.915 CV     1
 ASSI {  964}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB# ))
      1.900     0.400     0.400 peak   964 weight  0.10000E+01 volume  0.23387E-01 ppm1      4.200 ppm2      2.014 CV     1
 ASSI {  967}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB# ))
      1.800     0.400     0.400 peak   967 weight  0.10000E+01 volume  0.25721E-01 ppm1      3.938 ppm2      1.798 CV     1
 OR {  967}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI {  971}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB# ))
      1.900     0.400     0.400 peak   971 weight  0.10000E+01 volume  0.20983E-01 ppm1      4.018 ppm2      1.912 CV     1
 OR {  971}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG# ))
 ASSI {  972}
   (( segid "    " and resid 115  and name HA  ))
   (  segid "    " and resid 86   and name HD# )
      2.200     0.600     0.600 peak   972 weight  0.10000E+01 volume  0.95308E-02 ppm1      3.397 ppm2      0.814 CV     1
 ASSI {  973}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HG# ))
      1.800     0.400     0.400 peak   973 weight  0.10000E+01 volume  0.25406E-01 ppm1      3.999 ppm2      1.613 CV     1
 ASSI {  974}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB# ))
      2.000     0.500     0.500 peak   974 weight  0.10000E+01 volume  0.13365E-01 ppm1      3.813 ppm2      1.229 CV     1
 ASSI {  983}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB# ))
      2.100     0.600     0.600 peak   983 weight  0.10000E+01 volume  0.10925E-01 ppm1      4.253 ppm2      1.613 CV     1
 ASSI {  984}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HD# )
      1.800     0.400     0.400 peak   984 weight  0.10000E+01 volume  0.27939E-01 ppm1      4.255 ppm2      0.904 CV     1
 ASSI {  989}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB# ))
      1.900     0.500     0.500 peak   989 weight  0.10000E+01 volume  0.29645E-01 ppm1      4.104 ppm2      2.010 CV     1
 ASSI {  991}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB# ))
      2.000     0.500     0.500 peak   991 weight  0.10000E+01 volume  0.25569E-01 ppm1      4.044 ppm2      1.848 CV     1
 ASSI {  992}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB# ))
      2.800     1.000     1.000 peak   992 weight  0.10000E+01 volume  0.32212E-01 ppm1      4.028 ppm2      1.623 CV     1
 OR {  992}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG# ))
 ASSI {  993}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG  ))
      1.900     0.500     0.500 peak   993 weight  0.10000E+01 volume  0.17901E-01 ppm1      4.076 ppm2      1.468 CV     1
 OR {  993}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB# ))
 ASSI {  995}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB# ))
      2.000     0.500     0.500 peak   995 weight  0.10000E+01 volume  0.31341E-01 ppm1      3.064 ppm2      1.571 CV     1
 ASSI {  996}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HG# ))
      2.100     0.600     0.600 peak   996 weight  0.10000E+01 volume  0.10814E-01 ppm1      3.064 ppm2      0.859 CV     1
 ASSI {  998}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 96   and name HG  ))
      2.400     0.700     0.700 peak   998 weight  0.10000E+01 volume  0.54975E-02 ppm1      4.351 ppm2      1.827 CV     1
 ASSI { 1000}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB# ))
      1.900     0.500     0.500 peak  1000 weight  0.10000E+01 volume  0.18103E-01 ppm1      4.350 ppm2      1.393 CV     1
 ASSI { 1001}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HE# )
      2.000     0.500     0.500 peak  1001 weight  0.10000E+01 volume  0.15634E-01 ppm1      4.351 ppm2      0.943 CV     1
 OR { 1001}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 96   and name HD# )
 ASSI { 1002}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB# ))
      1.900     0.500     0.500 peak  1002 weight  0.10000E+01 volume  0.18817E-01 ppm1      4.215 ppm2      1.767 CV     1
 OR { 1002}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG# ))
 ASSI { 1004}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HD# )
      1.900     0.500     0.500 peak  1004 weight  0.10000E+01 volume  0.18682E-01 ppm1      4.282 ppm2      0.998 CV     1
 ASSI { 1005}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG  ))
      2.100     0.600     0.600 peak  1005 weight  0.10000E+01 volume  0.96870E-02 ppm1      4.282 ppm2      2.031 CV     1
 ASSI { 1008}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG# ))
      2.600     0.900     0.900 peak  1008 weight  0.10000E+01 volume  0.21311E-01 ppm1      4.366 ppm2      1.767 CV     1
 ASSI { 1010}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 17   and name HG# ))
      2.300     0.600     0.600 peak  1010 weight  0.10000E+01 volume  0.70019E-02 ppm1      4.141 ppm2      1.805 CV     1
 ASSI { 1012}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 53   and name HB  ))
      2.000     0.500     0.500 peak  1012 weight  0.10000E+01 volume  0.14608E-01 ppm1      4.003 ppm2      1.934 CV     1
 ASSI { 1013}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 53   and name HB  ))
      2.100     0.500     0.500 peak  1013 weight  0.10000E+01 volume  0.12042E-01 ppm1      3.549 ppm2      1.949 CV     1
 ASSI { 1014}
   (( segid "    " and resid 54   and name HD# ))
   (  segid "    " and resid 57   and name HD# )
      2.500     0.800     0.800 peak  1014 weight  0.10000E+01 volume  0.38492E-02 ppm1      4.004 ppm2      0.864 CV     1
 ASSI { 1015}
   (( segid "    " and resid 54   and name HD# ))
   (  segid "    " and resid 57   and name HD# )
      2.100     0.600     0.600 peak  1015 weight  0.10000E+01 volume  0.11093E-01 ppm1      3.556 ppm2      0.867 CV     1
 ASSI { 1020}
   (( segid "    " and resid 87   and name HD# ))
   (  segid "    " and resid 85   and name HG# )
      3.100     1.200     1.200 peak  1020 weight  0.10000E+01 volume  0.11376E-02 ppm1      3.953 ppm2      0.946 CV     1
 ASSI { 1021}
   (( segid "    " and resid 32   and name HD# ))
   (( segid "    " and resid 32   and name HG# ))
      2.400     0.700     0.700 peak  1021 weight  0.10000E+01 volume  0.52014E-02 ppm1      3.393 ppm2      1.420 CV     1
 ASSI { 1023}
   (( segid "    " and resid 32   and name HD# ))
   (( segid "    " and resid 32   and name HG# ))
      2.200     0.600     0.600 peak  1023 weight  0.10000E+01 volume  0.85124E-02 ppm1      3.345 ppm2      1.421 CV     1
 ASSI { 1025}
   (( segid "    " and resid 39   and name HD# ))
   (( segid "    " and resid 39   and name HG# ))
      2.100     0.500     0.500 peak  1025 weight  0.10000E+01 volume  0.11730E-01 ppm1      3.855 ppm2      2.013 CV     1
 ASSI { 1026}
   (( segid "    " and resid 39   and name HD# ))
   (  segid "    " and resid 38   and name HB% )
      2.200     0.600     0.600 peak  1026 weight  0.10000E+01 volume  0.76095E-02 ppm1      3.855 ppm2      1.202 CV     1
 ASSI { 1027}
   (( segid "    " and resid 88   and name HD# ))
   (( segid "    " and resid 87   and name HB# ))
      2.300     0.700     0.700 peak  1027 weight  0.10000E+01 volume  0.62739E-02 ppm1      3.586 ppm2      2.025 CV     1
 ASSI { 1028}
   (( segid "    " and resid 88   and name HD# ))
   (  segid "    " and resid 91   and name HB% )
      2.500     0.800     0.800 peak  1028 weight  0.10000E+01 volume  0.35944E-02 ppm1      3.583 ppm2      1.502 CV     1
 ASSI { 1029}
   (( segid "    " and resid 39   and name HD# ))
   (( segid "    " and resid 39   and name HG# ))
      1.900     0.500     0.500 peak  1029 weight  0.10000E+01 volume  0.20336E-01 ppm1      3.359 ppm2      2.012 CV     1
 ASSI { 1030}
   (( segid "    " and resid 39   and name HD# ))
   (  segid "    " and resid 38   and name HB% )
      2.000     0.500     0.500 peak  1030 weight  0.10000E+01 volume  0.13553E-01 ppm1      3.359 ppm2      1.207 CV     1
 ASSI { 1032}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 28   and name HG# ))
      1.800     0.400     0.400 peak  1032 weight  0.10000E+01 volume  0.27181E-01 ppm1      3.623 ppm2      1.926 CV     1
 ASSI { 1033}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 28   and name HG# ))
      1.800     0.400     0.400 peak  1033 weight  0.10000E+01 volume  0.26071E-01 ppm1      3.290 ppm2      1.931 CV     1
 ASSI { 1064}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB# ))
      2.100     0.500     0.500 peak  1064 weight  0.10000E+01 volume  0.11998E-01 ppm1      4.033 ppm2      3.182 CV     1
 ASSI { 1068}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB# ))
      2.100     0.500     0.500 peak  1068 weight  0.10000E+01 volume  0.12520E-01 ppm1      3.607 ppm2      2.946 CV     1
 ASSI { 1071}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB# ))
      1.900     0.400     0.400 peak  1071 weight  0.10000E+01 volume  0.22931E-01 ppm1      4.113 ppm2      2.336 CV     1
 OR { 1071}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG# ))
 ASSI { 1073}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB# ))
      1.900     0.400     0.400 peak  1073 weight  0.10000E+01 volume  0.20916E-01 ppm1      4.066 ppm2      2.313 CV     1
 ASSI { 1083}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG# ))
      2.000     0.500     0.500 peak  1083 weight  0.10000E+01 volume  0.17206E-01 ppm1      4.156 ppm2      2.291 CV     1
 ASSI { 1087}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG# ))
      2.400     0.700     0.700 peak  1087 weight  0.10000E+01 volume  0.44626E-02 ppm1      4.352 ppm2      2.368 CV     1
 ASSI { 1099}
   (( segid "    " and resid 88   and name HD# ))
   (( segid "    " and resid 88   and name HG# ))
      1.800     0.400     0.400 peak  1099 weight  0.10000E+01 volume  0.26846E-01 ppm1      3.583 ppm2      2.188 CV     1
 ASSI { 1145}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HB# ))
      2.100     0.500     0.500 peak  1145 weight  0.10000E+01 volume  0.11802E-01 ppm1      3.397 ppm2      2.476 CV     1
 ASSI { 1149}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG# ))
      2.000     0.500     0.500 peak  1149 weight  0.10000E+01 volume  0.15423E-01 ppm1      4.105 ppm2      2.205 CV     1
 ASSI { 1157}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 12   and name HG# ))
      2.800     1.000     1.000 peak  1157 weight  0.10000E+01 volume  0.18234E-02 ppm1      4.016 ppm2      2.129 CV     1
 ASSI { 1169}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB# ))
      2.500     0.800     0.800 peak  1169 weight  0.10000E+01 volume  0.41666E-02 ppm1      5.129 ppm2      1.865 CV     1
 ASSI { 1170}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB# ))
      2.200     0.600     0.600 peak  1170 weight  0.10000E+01 volume  0.80743E-02 ppm1      5.126 ppm2      1.587 CV     1
 ASSI { 1173}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG# )
      2.000     0.500     0.500 peak  1173 weight  0.10000E+01 volume  0.16883E-01 ppm1      5.113 ppm2      0.614 CV     1
 ASSI { 1175}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB  ))
      2.500     0.800     0.800 peak  1175 weight  0.10000E+01 volume  0.35274E-02 ppm1      5.201 ppm2      1.753 CV     1
 ASSI { 1176}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HG# )
      2.100     0.500     0.500 peak  1176 weight  0.10000E+01 volume  0.12063E-01 ppm1      5.201 ppm2      1.160 CV     1
 ASSI { 1178}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG1#))
      1.900     0.500     0.500 peak  1178 weight  0.10000E+01 volume  0.17481E-01 ppm1      5.200 ppm2      0.811 CV     1
 ASSI { 1183}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB# ))
      2.100     0.500     0.500 peak  1183 weight  0.10000E+01 volume  0.11476E-01 ppm1      5.113 ppm2      1.220 CV     1
 OR { 1183}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG# ))
 ASSI { 1187}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB# ))
      2.000     0.500     0.500 peak  1187 weight  0.10000E+01 volume  0.14741E-01 ppm1      5.098 ppm2      2.656 CV     1
 ASSI { 1201}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD% )
      3.200     1.300     1.300 peak  1201 weight  0.10000E+01 volume  0.23926E-02 ppm1      6.717 ppm2      6.844 CV     1
 ASSI { 1205}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      1.900     0.400     0.400 peak  1205 weight  0.10000E+01 volume  0.22213E-01 ppm1      6.016 ppm2      9.087 CV     1
 ASSI { 1206}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 80   and name HD% )
      1.900     0.400     0.400 peak  1206 weight  0.10000E+01 volume  0.20640E-01 ppm1      6.015 ppm2      6.807 CV     1
 ASSI { 1208}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak  1208 weight  0.10000E+01 volume  0.81975E-02 ppm1      6.509 ppm2      8.697 CV     1
 ASSI { 1214}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 63   and name HN  ))
      4.400     2.400     1.600 peak  1214 weight  0.10000E+01 volume  0.13905E-03 ppm1      4.093 ppm2      9.117 CV     1
 ASSI { 1221}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 63   and name HB# ))
      3.000     1.100     1.100 peak  1221 weight  0.10000E+01 volume  0.13575E-02 ppm1      3.939 ppm2      3.096 CV     1
 ASSI { 1226}
   (( segid "    " and resid 60   and name HA# ))
   (  segid "    " and resid 59   and name HG# )
      4.600     2.600     1.400 peak  1226 weight  0.10000E+01 volume  0.10426E-03 ppm1      3.936 ppm2      0.860 CV     1
 ASSI { 1227}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 106  and name HZ  ))
      3.500     1.500     1.500 peak  1227 weight  0.10000E+01 volume  0.53661E-03 ppm1      3.092 ppm2      6.922 CV     1
 ASSI { 1231}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.000     1.000 peak  1231 weight  0.10000E+01 volume  0.17596E-02 ppm1      3.098 ppm2      8.669 CV     1
 ASSI { 1239}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 19   and name HB# ))
      5.700     4.000     0.300 peak  1239 weight  0.10000E+01 volume  0.28802E-04 ppm1      3.080 ppm2      2.375 CV     1
 ASSI { 1240}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 32   and name HG# ))
      4.400     2.500     1.600 peak  1240 weight  0.10000E+01 volume  0.12636E-03 ppm1      3.092 ppm2      1.421 CV     1
 ASSI { 1241}
   (( segid "    " and resid 20   and name HA# ))
   (( segid "    " and resid 32   and name HG# ))
      4.700     2.700     1.300 peak  1241 weight  0.10000E+01 volume  0.93632E-04 ppm1      4.075 ppm2      1.413 CV     1
 ASSI { 1247}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 95   and name HN  ))
      3.000     1.100     1.100 peak  1247 weight  0.10000E+01 volume  0.13707E-02 ppm1      4.021 ppm2      7.986 CV     1
 ASSI { 1252}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 97   and name HB# ))
      2.700     0.900     0.900 peak  1252 weight  0.10000E+01 volume  0.26060E-02 ppm1      3.714 ppm2      3.302 CV     1
 ASSI { 1254}
   (( segid "    " and resid 107  and name HB# ))
   (( segid "    " and resid 107  and name HN  ))
      2.900     1.000     1.000 peak  1254 weight  0.10000E+01 volume  0.16518E-02 ppm1      2.053 ppm2      7.889 CV     1
 ASSI { 1257}
   (( segid "    " and resid 107  and name HB# ))
   (( segid "    " and resid 107  and name HN  ))
      3.300     1.400     1.400 peak  1257 weight  0.10000E+01 volume  0.70302E-03 ppm1      1.355 ppm2      7.911 CV     1
 ASSI { 1260}
   (( segid "    " and resid 107  and name HB# ))
   (( segid "    " and resid 97   and name HA  ))
      3.800     1.800     1.800 peak  1260 weight  0.10000E+01 volume  0.31858E-03 ppm1      1.370 ppm2      3.865 CV     1
 ASSI { 1264}
   (( segid "    " and resid 107  and name HB# ))
   (  segid "    " and resid 107  and name HD# )
      2.400     0.700     0.700 peak  1264 weight  0.10000E+01 volume  0.47464E-02 ppm1      2.057 ppm2      0.882 CV     1
 ASSI { 1271}
   (( segid "    " and resid 107  and name HB# ))
   (  segid "    " and resid 31   and name HG# )
      3.900     1.900     1.900 peak  1271 weight  0.10000E+01 volume  0.25633E-03 ppm1      2.058 ppm2      0.364 CV     1
 ASSI { 1272}
   (( segid "    " and resid 44   and name HA# ))
   (( segid "    " and resid 45   and name HB# ))
      3.900     1.900     1.900 peak  1272 weight  0.10000E+01 volume  0.26738E-03 ppm1      4.094 ppm2      2.545 CV     1
 ASSI { 1281}
   (( segid "    " and resid 44   and name HA# ))
   (  segid "    " and resid 43   and name HG# )
      4.000     2.000     2.000 peak  1281 weight  0.10000E+01 volume  0.24383E-03 ppm1      3.868 ppm2      1.122 CV     1
 OR { 1281}
   (( segid "    " and resid 44   and name HA# ))
   (  segid "    " and resid 43   and name HD# )
 ASSI { 1284}
   (( segid "    " and resid 44   and name HA# ))
   (  segid "    " and resid 43   and name HG# )
      4.700     2.700     1.300 peak  1284 weight  0.10000E+01 volume  0.94045E-04 ppm1      4.084 ppm2      1.109 CV     1
 OR { 1284}
   (( segid "    " and resid 44   and name HA# ))
   (  segid "    " and resid 43   and name HD# )
 ASSI { 1290}
   (( segid "    " and resid 118  and name HA# ))
   (  segid "    " and resid 41   and name HB% )
      4.400     2.400     1.600 peak  1290 weight  0.10000E+01 volume  0.13668E-03 ppm1      3.575 ppm2      1.581 CV     1
 ASSI { 1291}
   (( segid "    " and resid 118  and name HA# ))
   (( segid "    " and resid 40   and name HB# ))
      3.700     1.800     1.800 peak  1291 weight  0.10000E+01 volume  0.34542E-03 ppm1      3.691 ppm2      1.840 CV     1
 ASSI { 1293}
   (( segid "    " and resid 118  and name HA# ))
   (( segid "    " and resid 40   and name HB# ))
      3.800     1.800     1.800 peak  1293 weight  0.10000E+01 volume  0.29814E-03 ppm1      3.582 ppm2      1.818 CV     1
 ASSI { 1294}
   (( segid "    " and resid 46   and name HB# ))
   (  segid "    " and resid 46   and name HD# )
      2.000     0.500     0.500 peak  1294 weight  0.10000E+01 volume  0.16101E-01 ppm1      1.830 ppm2      0.951 CV     1
 ASSI { 1295}
   (( segid "    " and resid 46   and name HB# ))
   (  segid "    " and resid 70   and name HG# )
      3.100     1.200     1.200 peak  1295 weight  0.10000E+01 volume  0.25112E-02 ppm1      1.833 ppm2      0.742 CV     1
 ASSI { 1297}
   (( segid "    " and resid 78   and name HB# ))
   (( segid "    " and resid 67   and name HD# ))
      3.800     1.900     1.900 peak  1297 weight  0.10000E+01 volume  0.29277E-03 ppm1      1.115 ppm2      2.804 CV     1
 ASSI { 1298}
   (( segid "    " and resid 78   and name HB# ))
   (( segid "    " and resid 77   and name HA  ))
      3.800     1.800     1.800 peak  1298 weight  0.10000E+01 volume  0.31414E-03 ppm1      1.101 ppm2      4.038 CV     1
 ASSI { 1300}
   (( segid "    " and resid 46   and name HB# ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak  1300 weight  0.10000E+01 volume  0.39653E-02 ppm1      1.834 ppm2      4.416 CV     1
 ASSI { 1301}
   (( segid "    " and resid 78   and name HB# ))
   (  segid "    " and resid 63   and name HE% )
      3.600     1.600     1.600 peak  1301 weight  0.10000E+01 volume  0.45257E-03 ppm1      1.116 ppm2      6.138 CV     1
 ASSI { 1302}
   (( segid "    " and resid 78   and name HB# ))
   (  segid "    " and resid 63   and name HD% )
      3.700     1.700     1.700 peak  1302 weight  0.10000E+01 volume  0.37112E-03 ppm1      1.106 ppm2      6.295 CV     1
 ASSI { 1306}
   (( segid "    " and resid 46   and name HB# ))
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak  1306 weight  0.10000E+01 volume  0.41572E-03 ppm1      1.836 ppm2      8.683 CV     1
 ASSI { 1312}
   (( segid "    " and resid 57   and name HB# ))
   (  segid "    " and resid 57   and name HD# )
      2.300     0.600     0.600 peak  1312 weight  0.10000E+01 volume  0.67768E-02 ppm1      1.712 ppm2      0.886 CV     1
 ASSI { 1314}
   (( segid "    " and resid 57   and name HB# ))
   (  segid "    " and resid 53   and name HG# )
      2.100     0.500     0.500 peak  1314 weight  0.10000E+01 volume  0.11445E-01 ppm1      1.491 ppm2      0.844 CV     1
 OR { 1314}
   (( segid "    " and resid 57   and name HB# ))
   (  segid "    " and resid 57   and name HD# )
 ASSI { 1318}
   (( segid "    " and resid 57   and name HB# ))
   (( segid "    " and resid 54   and name HB# ))
      2.400     0.700     0.700 peak  1318 weight  0.10000E+01 volume  0.45321E-02 ppm1      1.486 ppm2      2.002 CV     1
 ASSI { 1321}
   (( segid "    " and resid 57   and name HB# ))
   (( segid "    " and resid 93   and name HG# ))
      2.400     0.700     0.700 peak  1321 weight  0.10000E+01 volume  0.46586E-02 ppm1      1.719 ppm2      2.194 CV     1
 ASSI { 1324}
   (( segid "    " and resid 57   and name HB# ))
   (  segid "    " and resid 53   and name HG# )
      3.700     1.700     1.700 peak  1324 weight  0.10000E+01 volume  0.39487E-03 ppm1      1.715 ppm2      0.552 CV     1
 ASSI { 1325}
   (( segid "    " and resid 57   and name HB# ))
   (  segid "    " and resid 53   and name HG# )
      3.900     1.900     1.900 peak  1325 weight  0.10000E+01 volume  0.27780E-03 ppm1      1.489 ppm2      0.575 CV     1
 ASSI { 1331}
   (( segid "    " and resid 57   and name HB# ))
   (( segid "    " and resid 58   and name HN  ))
      3.700     1.700     1.700 peak  1331 weight  0.10000E+01 volume  0.37082E-03 ppm1      1.713 ppm2      8.724 CV     1
 ASSI { 1336}
   (( segid "    " and resid 81   and name HB# ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1336 weight  0.10000E+01 volume  0.22541E-02 ppm1      2.665 ppm2      9.094 CV     1
 ASSI { 1342}
   (( segid "    " and resid 81   and name HB# ))
   (  segid "    " and resid 117  and name HD% )
      3.600     1.600     1.600 peak  1342 weight  0.10000E+01 volume  0.45794E-03 ppm1      2.794 ppm2      6.608 CV     1
 ASSI { 1351}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.500     1.500 peak  1351 weight  0.10000E+01 volume  0.54600E-03 ppm1      3.357 ppm2      7.611 CV     1
 ASSI { 1352}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak  1352 weight  0.10000E+01 volume  0.98793E-03 ppm1      3.128 ppm2      7.619 CV     1
 ASSI { 1359}
   (( segid "    " and resid 17   and name HD# ))
   (( segid "    " and resid 103  and name HG# ))
      3.800     1.800     1.800 peak  1359 weight  0.10000E+01 volume  0.29493E-03 ppm1      3.346 ppm2      2.421 CV     1
 ASSI { 1365}
   (( segid "    " and resid 73   and name HD# ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     1.600     1.600 peak  1365 weight  0.10000E+01 volume  0.47446E-03 ppm1      3.295 ppm2      9.143 CV     1
 ASSI { 1367}
   (( segid "    " and resid 73   and name HD# ))
   (( segid "    " and resid 73   and name HB# ))
      2.600     0.900     0.900 peak  1367 weight  0.10000E+01 volume  0.28783E-02 ppm1      3.240 ppm2      2.114 CV     1
 ASSI { 1371}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 54   and name HG# ))
      3.900     1.900     1.900 peak  1371 weight  0.10000E+01 volume  0.27099E-03 ppm1      2.448 ppm2      1.922 CV     1
 ASSI { 1377}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 30   and name HN  ))
      5.000     3.100     1.000 peak  1377 weight  0.10000E+01 volume  0.62353E-04 ppm1      2.683 ppm2      7.804 CV     1
 ASSI { 1378}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.500     1.500 peak  1378 weight  0.10000E+01 volume  0.58213E-03 ppm1      2.672 ppm2      8.391 CV     1
 ASSI { 1379}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 53   and name HN  ))
      4.000     2.000     2.000 peak  1379 weight  0.10000E+01 volume  0.22236E-03 ppm1      2.449 ppm2      8.392 CV     1
 ASSI { 1381}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak  1381 weight  0.10000E+01 volume  0.17778E-02 ppm1      1.376 ppm2      9.119 CV     1
 ASSI { 1382}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.200     1.200 peak  1382 weight  0.10000E+01 volume  0.11983E-02 ppm1      1.688 ppm2      9.116 CV     1
 ASSI { 1384}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 76   and name HN  ))
      3.700     1.700     1.700 peak  1384 weight  0.10000E+01 volume  0.35305E-03 ppm1      1.688 ppm2      7.486 CV     1
 ASSI { 1388}
   (( segid "    " and resid 72   and name HB# ))
   (( segid "    " and resid 67   and name HD# ))
      2.900     1.000     1.000 peak  1388 weight  0.10000E+01 volume  0.17187E-02 ppm1      1.373 ppm2      2.794 CV     1
 ASSI { 1396}
   (( segid "    " and resid 119  and name HB# ))
   (  segid "    " and resid 119  and name HD# )
      2.500     0.800     0.800 peak  1396 weight  0.10000E+01 volume  0.41281E-02 ppm1      1.442 ppm2      0.808 CV     1
 ASSI { 1401}
   (( segid "    " and resid 69   and name HD# ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.100     1.100 peak  1401 weight  0.10000E+01 volume  0.15544E-02 ppm1      3.292 ppm2      7.504 CV     1
 ASSI { 1403}
   (( segid "    " and resid 69   and name HD# ))
   (( segid "    " and resid 48   and name HD# ))
      3.700     1.700     1.700 peak  1403 weight  0.10000E+01 volume  0.38991E-03 ppm1      3.286 ppm2      1.399 CV     1
 ASSI { 1412}
   (( segid "    " and resid 79   and name HB# ))
   (  segid "    " and resid 81   and name HE% )
      2.800     1.000     1.000 peak  1412 weight  0.10000E+01 volume  0.21168E-02 ppm1      2.531 ppm2      7.196 CV     1
 OR { 1412}
   (( segid "    " and resid 79   and name HB# ))
   (( segid "    " and resid 81   and name HZ  ))
 ASSI { 1415}
   (( segid "    " and resid 79   and name HB# ))
   (( segid "    " and resid 80   and name HN  ))
      3.200     1.300     1.300 peak  1415 weight  0.10000E+01 volume  0.90081E-03 ppm1      2.532 ppm2      7.870 CV     1
 ASSI { 1444}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 95   and name HN  ))
      4.200     2.200     1.800 peak  1444 weight  0.10000E+01 volume  0.16992E-03 ppm1      1.644 ppm2      7.990 CV     1
 ASSI { 1445}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 95   and name HN  ))
      4.900     3.100     1.100 peak  1445 weight  0.10000E+01 volume  0.64727E-04 ppm1      1.825 ppm2      7.989 CV     1
 ASSI { 1448}
   (( segid "    " and resid 49   and name HE# ))
   (  segid "    " and resid 34   and name HG# )
      3.400     1.400     1.400 peak  1448 weight  0.10000E+01 volume  0.61031E-03 ppm1      3.244 ppm2      0.670 CV     1
 ASSI { 1449}
   (( segid "    " and resid 49   and name HE# ))
   (  segid "    " and resid 6    and name HG# )
      3.200     1.300     1.300 peak  1449 weight  0.10000E+01 volume  0.91340E-03 ppm1      3.240 ppm2      1.005 CV     1
 ASSI { 1450}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 49   and name HB# ))
      2.800     1.000     1.000 peak  1450 weight  0.10000E+01 volume  0.19622E-02 ppm1      3.242 ppm2      2.163 CV     1
 ASSI { 1451}
   (( segid "    " and resid 51   and name HB# ))
   (  segid "    " and resid 35   and name HG# )
      3.000     1.100     1.100 peak  1451 weight  0.10000E+01 volume  0.14167E-02 ppm1      2.656 ppm2      0.841 CV     1
 ASSI { 1458}
   (( segid "    " and resid 51   and name HB# ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak  1458 weight  0.10000E+01 volume  0.30762E-02 ppm1      2.654 ppm2      9.503 CV     1
 ASSI { 1463}
   (( segid "    " and resid 52   and name HB# ))
   (  segid "    " and resid 23   and name HD# )
      4.300     2.300     1.700 peak  1463 weight  0.10000E+01 volume  0.15185E-03 ppm1      1.337 ppm2      0.900 CV     1
 ASSI { 1464}
   (( segid "    " and resid 52   and name HB# ))
   (( segid "    " and resid 52   and name HG  ))
      2.300     0.600     0.600 peak  1464 weight  0.10000E+01 volume  0.68675E-02 ppm1      1.335 ppm2      1.079 CV     1
 ASSI { 1469}
   (( segid "    " and resid 52   and name HB# ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak  1469 weight  0.10000E+01 volume  0.91196E-03 ppm1      1.276 ppm2      8.600 CV     1
 ASSI { 1478}
   (( segid "    " and resid 51   and name HB# ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.100     1.100 peak  1478 weight  0.10000E+01 volume  0.12986E-02 ppm1      2.830 ppm2      9.507 CV     1
 ASSI { 1480}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 64   and name HN  ))
      4.400     2.400     1.600 peak  1480 weight  0.10000E+01 volume  0.13431E-03 ppm1      1.638 ppm2      7.358 CV     1
 OR { 1480}
   (( segid "    " and resid 65   and name HB# ))
   (  segid "    " and resid 64   and name HD% )
 ASSI { 1494}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 66   and name HG1#))
      5.600     3.900     0.400 peak  1494 weight  0.10000E+01 volume  0.30350E-04 ppm1      1.820 ppm2      0.407 CV     1
 ASSI { 1495}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 66   and name HG1#))
      5.200     3.300     0.800 peak  1495 weight  0.10000E+01 volume  0.49758E-04 ppm1      1.626 ppm2      0.412 CV     1
 ASSI { 1512}
   (( segid "    " and resid 80   and name HB# ))
   (( segid "    " and resid 81   and name HN  ))
      3.200     1.300     1.300 peak  1512 weight  0.10000E+01 volume  0.87624E-03 ppm1      2.818 ppm2      9.086 CV     1
 ASSI { 1513}
   (( segid "    " and resid 37   and name HE# ))
   (  segid "    " and resid 43   and name HD# )
      2.600     0.900     0.900 peak  1513 weight  0.10000E+01 volume  0.27613E-02 ppm1      3.006 ppm2      1.107 CV     1
 ASSI { 1514}
   (( segid "    " and resid 37   and name HE# ))
   (( segid "    " and resid 37   and name HG# ))
      2.600     0.800     0.800 peak  1514 weight  0.10000E+01 volume  0.32246E-02 ppm1      2.998 ppm2      0.862 CV     1
 ASSI { 1516}
   (( segid "    " and resid 37   and name HE# ))
   (  segid "    " and resid 111  and name HE% )
      3.800     1.800     1.800 peak  1516 weight  0.10000E+01 volume  0.29782E-03 ppm1      3.008 ppm2      6.638 CV     1
 ASSI { 1517}
   (( segid "    " and resid 37   and name HE# ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     1.200     1.200 peak  1517 weight  0.10000E+01 volume  0.12102E-02 ppm1      2.993 ppm2      6.934 CV     1
 ASSI { 1518}
   (( segid "    " and resid 37   and name HE# ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  1518 weight  0.10000E+01 volume  0.99300E-03 ppm1      3.009 ppm2      7.460 CV     1
 ASSI { 1520}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 110  and name HN  ))
      3.400     1.400     1.400 peak  1520 weight  0.10000E+01 volume  0.66875E-03 ppm1      1.564 ppm2      9.015 CV     1
 ASSI { 1521}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.800     1.800 peak  1521 weight  0.10000E+01 volume  0.31279E-03 ppm1      1.560 ppm2      8.694 CV     1
 ASSI { 1523}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 108  and name HB# ))
      4.900     3.000     1.100 peak  1523 weight  0.10000E+01 volume  0.67411E-04 ppm1      1.561 ppm2      2.226 CV     1
 ASSI { 1524}
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 109  and name HG1#))
      2.400     0.700     0.700 peak  1524 weight  0.10000E+01 volume  0.56216E-02 ppm1      1.550 ppm2      1.322 CV     1
 ASSI { 1525}
   (( segid "    " and resid 109  and name HB  ))
   (  segid "    " and resid 33   and name HG# )
      2.300     0.700     0.700 peak  1525 weight  0.10000E+01 volume  0.57298E-02 ppm1      1.550 ppm2      0.628 CV     1
 ASSI { 1529}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 32   and name HB# ))
      3.500     1.500     1.500 peak  1529 weight  0.10000E+01 volume  0.50048E-03 ppm1      2.772 ppm2      1.872 CV     1
 ASSI { 1531}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 106  and name HZ  ))
      2.900     1.100     1.100 peak  1531 weight  0.10000E+01 volume  0.15441E-02 ppm1      2.764 ppm2      6.934 CV     1
 ASSI { 1535}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak  1535 weight  0.10000E+01 volume  0.22606E-02 ppm1      2.017 ppm2      8.712 CV     1
 ASSI { 1536}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 105  and name HN  ))
      2.900     1.100     1.100 peak  1536 weight  0.10000E+01 volume  0.15585E-02 ppm1      2.016 ppm2      7.870 CV     1
 OR { 1536}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 107  and name HN  ))
 ASSI { 1537}
   (( segid "    " and resid 106  and name HB# ))
   (  segid "    " and resid 108  and name HD% )
      4.100     2.100     1.900 peak  1537 weight  0.10000E+01 volume  0.20223E-03 ppm1      2.018 ppm2      6.327 CV     1
 ASSI { 1538}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.700     1.700 peak  1538 weight  0.10000E+01 volume  0.40973E-03 ppm1      2.024 ppm2      5.082 CV     1
 ASSI { 1539}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 104  and name HB# ))
      2.200     0.600     0.600 peak  1539 weight  0.10000E+01 volume  0.80879E-02 ppm1      2.021 ppm2      3.123 CV     1
 ASSI { 1541}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 34   and name HG1#))
      3.000     1.100     1.100 peak  1541 weight  0.10000E+01 volume  0.13092E-02 ppm1      2.016 ppm2      0.535 CV     1
 ASSI { 1542}
   (( segid "    " and resid 106  and name HB# ))
   (( segid "    " and resid 34   and name HG1#))
      3.600     1.600     1.600 peak  1542 weight  0.10000E+01 volume  0.46022E-03 ppm1      2.014 ppm2      0.091 CV     1
 ASSI { 1543}
   (( segid "    " and resid 106  and name HB# ))
   (  segid "    " and resid 34   and name HD# )
      4.000     2.000     2.000 peak  1543 weight  0.10000E+01 volume  0.24312E-03 ppm1      2.021 ppm2     -0.546 CV     1
 ASSI { 1546}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 32   and name HG# ))
      2.900     1.100     1.100 peak  1546 weight  0.10000E+01 volume  0.14916E-02 ppm1      3.254 ppm2      1.449 CV     1
 ASSI { 1549}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak  1549 weight  0.10000E+01 volume  0.69662E-03 ppm1      3.249 ppm2      7.779 CV     1
 ASSI { 1554}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 32   and name HD# ))
      2.800     1.000     1.000 peak  1554 weight  0.10000E+01 volume  0.18439E-02 ppm1      2.803 ppm2      3.362 CV     1
 ASSI { 1555}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 24   and name HN  ))
      4.800     2.900     1.200 peak  1555 weight  0.10000E+01 volume  0.74535E-04 ppm1      2.798 ppm2      7.768 CV     1
 ASSI { 1557}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak  1557 weight  0.10000E+01 volume  0.31791E-02 ppm1      3.511 ppm2      4.356 CV     1
 ASSI { 1558}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 5    and name HB# ))
      3.700     1.700     1.700 peak  1558 weight  0.10000E+01 volume  0.35409E-03 ppm1      3.505 ppm2      3.057 CV     1
 ASSI { 1560}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 49   and name HD# ))
      2.900     1.100     1.100 peak  1560 weight  0.10000E+01 volume  0.15686E-02 ppm1      3.515 ppm2      2.006 CV     1
 ASSI { 1561}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.800     0.800 peak  1561 weight  0.10000E+01 volume  0.33539E-02 ppm1      3.507 ppm2      6.926 CV     1
 ASSI { 1563}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  1563 weight  0.10000E+01 volume  0.25844E-02 ppm1      3.510 ppm2     10.533 CV     1
 ASSI { 1567}
   (( segid "    " and resid 113  and name HB# ))
   (  segid "    " and resid 72   and name HD# )
      3.500     1.600     1.600 peak  1567 weight  0.10000E+01 volume  0.49325E-03 ppm1      2.711 ppm2      0.860 CV     1
 ASSI { 1573}
   (( segid "    " and resid 113  and name HB# ))
   (( segid "    " and resid 43   and name HB  ))
      2.600     0.800     0.800 peak  1573 weight  0.10000E+01 volume  0.33793E-02 ppm1      2.716 ppm2      2.059 CV     1
 OR { 1573}
   (( segid "    " and resid 7  and name HB# ))
   (( segid "    " and resid 49   and name HD#  ))
 ASSI { 1579}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 7   and name HD#  ))
      2.300     0.700     0.700 peak  1579 weight  0.10000E+01 volume  0.60473E-02 ppm1      2.718 ppm2      7.120 CV     1
 ASSI { 1580}
   (( segid "    " and resid 113  and name HB# ))
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  1580 weight  0.10000E+01 volume  0.13048E-03 ppm1      3.084 ppm2      6.944 CV     1
 ASSI { 1581}
   (( segid "    " and resid 113  and name HB# ))
   (( segid "    " and resid 114  and name HN  ))
      3.600     1.600     1.600 peak  1581 weight  0.10000E+01 volume  0.46114E-03 ppm1      3.093 ppm2      8.504 CV     1
 ASSI { 1583}
   (( segid "    " and resid 113  and name HB# ))
   (( segid "    " and resid 113  and name HN  ))
      3.000     1.100     1.100 peak  1583 weight  0.10000E+01 volume  0.14408E-02 ppm1      2.717 ppm2      9.432 CV     1
 ASSI { 1585}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 7    and name HN  ))
      2.900     1.100     1.100 peak  1585 weight  0.10000E+01 volume  0.14773E-02 ppm1      2.723 ppm2     10.538 CV     1
 ASSI { 1589}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 44   and name HA# ))
      3.900     1.900     1.900 peak  1589 weight  0.10000E+01 volume  0.28802E-03 ppm1      2.088 ppm2      4.077 CV     1
 ASSI { 1590}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 44   and name HA# ))
      3.900     1.900     1.900 peak  1590 weight  0.10000E+01 volume  0.28937E-03 ppm1      2.083 ppm2      3.880 CV     1
 ASSI { 1594}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 37   and name HG# ))
      3.100     1.200     1.200 peak  1594 weight  0.10000E+01 volume  0.97702E-03 ppm1      2.076 ppm2      1.637 CV     1
 ASSI { 1598}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 70   and name HD# )
      3.100     1.200     1.200 peak  1598 weight  0.10000E+01 volume  0.10491E-02 ppm1      2.076 ppm2      0.462 CV     1
 ASSI { 1599}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 7    and name HN  ))
      4.100     2.100     1.900 peak  1599 weight  0.10000E+01 volume  0.20202E-03 ppm1      3.057 ppm2     10.515 CV     1
 ASSI { 1603}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak  1603 weight  0.10000E+01 volume  0.16753E-02 ppm1      3.052 ppm2      6.920 CV     1
 ASSI { 1608}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 49   and name HD# ))
      3.600     1.600     1.600 peak  1608 weight  0.10000E+01 volume  0.42057E-03 ppm1      2.630 ppm2      2.015 CV     1
 ASSI { 1609}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 8    and name HB# ))
      2.700     0.900     0.900 peak  1609 weight  0.10000E+01 volume  0.22838E-02 ppm1      2.629 ppm2      1.421 CV     1
 ASSI { 1611}
   (( segid "    " and resid 5    and name HB# ))
   (  segid "    " and resid 34   and name HG# )
      4.000     2.000     2.000 peak  1611 weight  0.10000E+01 volume  0.21958E-03 ppm1      2.634 ppm2      0.657 CV     1
 ASSI { 1612}
   (( segid "    " and resid 5    and name HB# ))
   (  segid "    " and resid 34   and name HG# )
      3.500     1.500     1.500 peak  1612 weight  0.10000E+01 volume  0.52515E-03 ppm1      3.059 ppm2      0.635 CV     1
 ASSI { 1620}
   (( segid "    " and resid 104  and name HB# ))
   (  segid "    " and resid 13   and name HD% )
      3.400     1.500     1.500 peak  1620 weight  0.10000E+01 volume  0.58771E-03 ppm1      2.445 ppm2      7.292 CV     1
 OR { 1620}
   (( segid "    " and resid 104  and name HB# ))
   (( segid "    " and resid 13   and name HZ  ))
 ASSI { 1626}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak  1626 weight  0.10000E+01 volume  0.14586E-03 ppm1      2.693 ppm2      7.442 CV     1
 ASSI { 1631}
   (( segid "    " and resid 47   and name HB# ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.900     0.900 peak  1631 weight  0.10000E+01 volume  0.29938E-02 ppm1      2.805 ppm2      8.690 CV     1
 ASSI { 1632}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.200     1.200 peak  1632 weight  0.10000E+01 volume  0.97320E-03 ppm1      2.982 ppm2      9.356 CV     1
 ASSI { 1633}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak  1633 weight  0.10000E+01 volume  0.30475E-03 ppm1      3.487 ppm2      9.366 CV     1
 ASSI { 1635}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 12   and name HA  ))
      4.800     2.900     1.200 peak  1635 weight  0.10000E+01 volume  0.75773E-04 ppm1      2.983 ppm2      4.604 CV     1
 ASSI { 1644}
   (( segid "    " and resid 97   and name HB# ))
   (( segid "    " and resid 31   and name HB  ))
      3.000     1.100     1.100 peak  1644 weight  0.10000E+01 volume  0.13847E-02 ppm1      3.048 ppm2      1.385 CV     1
 ASSI { 1659}
   (( segid "    " and resid 62   and name HB# ))
   (  segid "    " and resid 80   and name HE% )
      3.300     1.400     1.400 peak  1659 weight  0.10000E+01 volume  0.69538E-03 ppm1      3.264 ppm2      6.660 CV     1
 ASSI { 1660}
   (( segid "    " and resid 62   and name HB# ))
   (  segid "    " and resid 80   and name HE% )
      3.600     1.600     1.600 peak  1660 weight  0.10000E+01 volume  0.43905E-03 ppm1      3.141 ppm2      6.652 CV     1
 ASSI { 1669}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 86   and name HD# )
      2.100     0.600     0.600 peak  1669 weight  0.10000E+01 volume  0.99242E-02 ppm1      1.764 ppm2      0.816 CV     1
 OR { 1669}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HG1#))
 ASSI { 1670}
   (( segid "    " and resid 86   and name HB  ))
   (  segid "    " and resid 85   and name HG# )
      4.000     2.000     2.000 peak  1670 weight  0.10000E+01 volume  0.24012E-03 ppm1      1.773 ppm2      0.962 CV     1
 ASSI { 1676}
   (( segid "    " and resid 36   and name HG# ))
   (  segid "    " and resid 5    and name HE% )
      3.600     1.600     1.600 peak  1676 weight  0.10000E+01 volume  0.44669E-03 ppm1      2.608 ppm2      7.438 CV     1
 ASSI { 1677}
   (( segid "    " and resid 36   and name HG# ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.300     1.300 peak  1677 weight  0.10000E+01 volume  0.75845E-03 ppm1      2.606 ppm2      8.703 CV     1
 ASSI { 1678}
   (( segid "    " and resid 36   and name HG# ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak  1678 weight  0.10000E+01 volume  0.20349E-02 ppm1      2.609 ppm2      8.832 CV     1
 ASSI { 1679}
   (( segid "    " and resid 108  and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      3.700     1.700     1.700 peak  1679 weight  0.10000E+01 volume  0.37928E-03 ppm1      2.212 ppm2      7.219 CV     1
 OR { 1679}
   (( segid "    " and resid 108  and name HB# ))
   (( segid "    " and resid 5    and name HZ  ))
 ASSI { 1680}
   (( segid "    " and resid 108  and name HB# ))
   (  segid "    " and resid 5    and name HE% )
      4.000     2.000     2.000 peak  1680 weight  0.10000E+01 volume  0.23424E-03 ppm1      2.229 ppm2      7.392 CV     1
 ASSI { 1689}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 65   and name HB# ))
      3.000     1.100     1.100 peak  1689 weight  0.10000E+01 volume  0.13599E-02 ppm1      3.293 ppm2      1.800 CV     1
 OR { 1689}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI { 1690}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 65   and name HB# ))
      3.200     1.300     1.300 peak  1690 weight  0.10000E+01 volume  0.93374E-03 ppm1      3.187 ppm2      1.795 CV     1
 OR { 1690}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI { 1692}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 61   and name HB# ))
      4.200     2.200     1.800 peak  1692 weight  0.10000E+01 volume  0.16744E-03 ppm1      3.193 ppm2      2.090 CV     1
 ASSI { 1693}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 61   and name HB# ))
      4.800     2.800     1.200 peak  1693 weight  0.10000E+01 volume  0.80728E-04 ppm1      3.289 ppm2      2.121 CV     1
 ASSI { 1696}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 63   and name HN  ))
      3.900     1.900     1.900 peak  1696 weight  0.10000E+01 volume  0.25447E-03 ppm1      3.184 ppm2      9.113 CV     1
 ASSI { 1697}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak  1697 weight  0.10000E+01 volume  0.15640E-03 ppm1      3.294 ppm2      9.113 CV     1
 ASSI { 1699}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 72   and name HD# )
      2.800     1.000     1.000 peak  1699 weight  0.10000E+01 volume  0.21535E-02 ppm1      1.747 ppm2      0.891 CV     1
 ASSI { 1703}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      3.700     1.700     1.700 peak  1703 weight  0.10000E+01 volume  0.38857E-03 ppm1      1.752 ppm2      7.814 CV     1
 ASSI { 1705}
   (( segid "    " and resid 27   and name HB# ))
   (  segid "    " and resid 52   and name HD# )
      3.500     1.500     1.500 peak  1705 weight  0.10000E+01 volume  0.51338E-03 ppm1      2.654 ppm2      0.456 CV     1
 ASSI { 1706}
   (( segid "    " and resid 27   and name HB# ))
   (  segid "    " and resid 52   and name HD# )
      3.000     1.200     1.200 peak  1706 weight  0.10000E+01 volume  0.12182E-02 ppm1      2.898 ppm2      0.466 CV     1
 ASSI { 1711}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HG# ))
      2.700     0.900     0.900 peak  1711 weight  0.10000E+01 volume  0.26084E-02 ppm1      2.899 ppm2      1.275 CV     1
 ASSI { 1712}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HB# ))
      2.800     1.000     1.000 peak  1712 weight  0.10000E+01 volume  0.18798E-02 ppm1      2.899 ppm2      1.136 CV     1
 ASSI { 1718}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 28   and name HD# ))
      4.300     2.300     1.700 peak  1718 weight  0.10000E+01 volume  0.15516E-03 ppm1      2.902 ppm2      3.624 CV     1
 ASSI { 1722}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak  1722 weight  0.10000E+01 volume  0.89214E-03 ppm1      2.895 ppm2      7.797 CV     1
 ASSI { 1723}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak  1723 weight  0.10000E+01 volume  0.10645E-02 ppm1      2.652 ppm2      7.798 CV     1
 ASSI { 1725}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 29   and name HN  ))
      4.200     2.200     1.800 peak  1725 weight  0.10000E+01 volume  0.16548E-03 ppm1      2.897 ppm2      8.547 CV     1
 ASSI { 1726}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.200     1.200 peak  1726 weight  0.10000E+01 volume  0.11877E-02 ppm1      1.814 ppm2      7.445 CV     1
 ASSI { 1733}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 52   and name HD# )
      3.900     1.900     1.900 peak  1733 weight  0.10000E+01 volume  0.25529E-03 ppm1      1.823 ppm2      0.470 CV     1
 ASSI { 1735}
   (( segid "    " and resid 84   and name HB# ))
   (( segid "    " and resid 84   and name HD21))
      2.700     0.900     0.900 peak  1735 weight  0.10000E+01 volume  0.25802E-02 ppm1      3.024 ppm2      7.378 CV     1
 ASSI { 1742}
   (( segid "    " and resid 63   and name HB# ))
   (( segid "    " and resid 66   and name HB  ))
      5.200     3.400     0.800 peak  1742 weight  0.10000E+01 volume  0.47590E-04 ppm1      3.105 ppm2      1.759 CV     1
 ASSI { 1745}
   (( segid "    " and resid 63   and name HB# ))
   (  segid "    " and resid 80   and name HE% )
      4.400     2.500     1.600 peak  1745 weight  0.10000E+01 volume  0.12471E-03 ppm1      2.743 ppm2      6.650 CV     1
 ASSI { 1746}
   (( segid "    " and resid 63   and name HB# ))
   (( segid "    " and resid 62   and name HN  ))
      3.200     1.300     1.300 peak  1746 weight  0.10000E+01 volume  0.93777E-03 ppm1      3.113 ppm2      8.852 CV     1
 ASSI { 1751}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 118  and name HN  ))
      3.100     1.200     1.200 peak  1751 weight  0.10000E+01 volume  0.10103E-02 ppm1      2.548 ppm2      7.547 CV     1
 ASSI { 1754}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 116  and name HA  ))
      3.500     1.500     1.500 peak  1754 weight  0.10000E+01 volume  0.54167E-03 ppm1      2.548 ppm2      4.138 CV     1
 ASSI { 1755}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 116  and name HA  ))
      4.500     2.500     1.500 peak  1755 weight  0.10000E+01 volume  0.11748E-03 ppm1      1.924 ppm2      4.133 CV     1
 ASSI { 1759}
   (( segid "    " and resid 117  and name HB# ))
   (  segid "    " and resid 116  and name HG# )
      3.300     1.400     1.400 peak  1759 weight  0.10000E+01 volume  0.69290E-03 ppm1      2.543 ppm2      0.746 CV     1
 ASSI { 1765}
   (( segid "    " and resid 83   and name HB# ))
   (  segid "    " and resid 85   and name HG# )
      3.200     1.200     1.200 peak  1765 weight  0.10000E+01 volume  0.97320E-03 ppm1      3.018 ppm2      0.987 CV     1
 ASSI { 1766}
   (( segid "    " and resid 83   and name HB# ))
   (  segid "    " and resid 85   and name HG# )
      3.200     1.300     1.300 peak  1766 weight  0.10000E+01 volume  0.90896E-03 ppm1      2.697 ppm2      0.974 CV     1
 ASSI { 1767}
   (( segid "    " and resid 83   and name HB# ))
   (  segid "    " and resid 82   and name HG# )
      3.000     1.100     1.100 peak  1767 weight  0.10000E+01 volume  0.12332E-02 ppm1      2.705 ppm2      0.640 CV     1
 ASSI { 1769}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 82   and name HB  ))
      3.800     1.800     1.800 peak  1769 weight  0.10000E+01 volume  0.32436E-03 ppm1      2.708 ppm2      1.728 CV     1
 ASSI { 1770}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 83   and name HD21))
      3.400     1.400     1.400 peak  1770 weight  0.10000E+01 volume  0.61403E-03 ppm1      3.018 ppm2      7.246 CV     1
 ASSI { 1775}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 83   and name HD22))
      2.800     0.900     0.900 peak  1775 weight  0.10000E+01 volume  0.21730E-02 ppm1      3.017 ppm2      9.013 CV     1
 ASSI { 1776}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 83   and name HN  ))
      3.200     1.300     1.300 peak  1776 weight  0.10000E+01 volume  0.82576E-03 ppm1      2.707 ppm2      9.836 CV     1
 ASSI { 1777}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 83   and name HN  ))
      3.300     1.300     1.300 peak  1777 weight  0.10000E+01 volume  0.76362E-03 ppm1      3.021 ppm2      9.839 CV     1
 ASSI { 1778}
   (( segid "    " and resid 103  and name HG# ))
   (( segid "    " and resid 103  and name HB# ))
      2.300     0.600     0.600 peak  1778 weight  0.10000E+01 volume  0.71182E-02 ppm1      2.443 ppm2      2.192 CV     1
 ASSI { 1779}
   (( segid "    " and resid 103  and name HG# ))
   (  segid "    " and resid 13   and name HE% )
      3.100     1.200     1.200 peak  1779 weight  0.10000E+01 volume  0.10995E-02 ppm1      2.441 ppm2      7.155 CV     1
 ASSI { 1783}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 22   and name HG# ))
      4.100     2.100     1.900 peak  1783 weight  0.10000E+01 volume  0.19005E-03 ppm1      2.018 ppm2      1.369 CV     1
 ASSI { 1786}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 25   and name HE# ))
      4.400     2.400     1.600 peak  1786 weight  0.10000E+01 volume  0.12925E-03 ppm1      1.920 ppm2      2.892 CV     1
 ASSI { 1791}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.400     1.400 peak  1791 weight  0.10000E+01 volume  0.11173E-02 ppm1      1.925 ppm2      7.351 CV     1
 ASSI { 1792}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.400     1.400 peak  1792 weight  0.10000E+01 volume  0.71086E-03 ppm1      2.028 ppm2      7.351 CV     1
 ASSI { 1793}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak  1793 weight  0.10000E+01 volume  0.21852E-02 ppm1      1.925 ppm2      8.668 CV     1
 ASSI { 1794}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  1794 weight  0.10000E+01 volume  0.19915E-02 ppm1      2.032 ppm2      8.660 CV     1
 ASSI { 1796}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 34   and name HG# )
      2.100     0.500     0.500 peak  1796 weight  0.10000E+01 volume  0.12163E-01 ppm1      1.273 ppm2      0.651 CV     1
 ASSI { 1804}
   (( segid "    " and resid 10   and name HG# ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak  1804 weight  0.10000E+01 volume  0.13539E-02 ppm1      2.216 ppm2      8.077 CV     1
 ASSI { 1805}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 109  and name HN  ))
      3.400     1.500     1.500 peak  1805 weight  0.10000E+01 volume  0.57129E-03 ppm1      1.276 ppm2      9.384 CV     1
 ASSI { 1806}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak  1806 weight  0.10000E+01 volume  0.21979E-03 ppm1      1.270 ppm2      9.128 CV     1
 ASSI { 1811}
   (( segid "    " and resid 10   and name HG# ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.600     1.600 peak  1811 weight  0.10000E+01 volume  0.49108E-03 ppm1      1.881 ppm2      8.100 CV     1
 ASSI { 1813}
   (( segid "    " and resid 14   and name HG# ))
   (( segid "    " and resid 14   and name HB# ))
      2.100     0.500     0.500 peak  1813 weight  0.10000E+01 volume  0.12576E-01 ppm1      2.495 ppm2      2.091 CV     1
 ASSI { 1814}
   (( segid "    " and resid 14   and name HG# ))
   (( segid "    " and resid 14   and name HB# ))
      2.200     0.600     0.600 peak  1814 weight  0.10000E+01 volume  0.91732E-02 ppm1      2.445 ppm2      2.088 CV     1
 ASSI { 1816}
   (( segid "    " and resid 14   and name HG# ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.300     1.300 peak  1816 weight  0.10000E+01 volume  0.86406E-03 ppm1      2.446 ppm2      3.764 CV     1
 ASSI { 1817}
   (( segid "    " and resid 14   and name HG# ))
   (  segid "    " and resid 13   and name HD% )
      3.300     1.300     1.300 peak  1817 weight  0.10000E+01 volume  0.76413E-03 ppm1      2.495 ppm2      7.302 CV     1
 ASSI { 1818}
   (( segid "    " and resid 14   and name HG# ))
   (  segid "    " and resid 13   and name HD% )
      3.500     1.500     1.500 peak  1818 weight  0.10000E+01 volume  0.55250E-03 ppm1      2.450 ppm2      7.302 CV     1
 ASSI { 1820}
   (( segid "    " and resid 14   and name HG# ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak  1820 weight  0.10000E+01 volume  0.11184E-02 ppm1      2.444 ppm2      9.570 CV     1
 ASSI { 1823}
   (( segid "    " and resid 19   and name HG# ))
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.400     1.400 peak  1823 weight  0.10000E+01 volume  0.68258E-03 ppm1      2.471 ppm2      7.789 CV     1
 ASSI { 1824}
   (( segid "    " and resid 114  and name HG# ))
   (( segid "    " and resid 114  and name HN  ))
      2.900     1.000     1.000 peak  1824 weight  0.10000E+01 volume  0.17345E-02 ppm1      2.313 ppm2      8.512 CV     1
 ASSI { 1825}
   (( segid "    " and resid 114  and name HG# ))
   (( segid "    " and resid 114  and name HN  ))
      2.900     1.100     1.100 peak  1825 weight  0.10000E+01 volume  0.15489E-02 ppm1      2.216 ppm2      8.509 CV     1
 ASSI { 1830}
   (( segid "    " and resid 114  and name HG# ))
   (  segid "    " and resid 116  and name HG# )
      3.600     1.600     1.600 peak  1830 weight  0.10000E+01 volume  0.44555E-03 ppm1      2.227 ppm2      0.762 CV     1
 ASSI { 1831}
   (( segid "    " and resid 114  and name HG# ))
   (  segid "    " and resid 116  and name HG# )
      3.200     1.300     1.300 peak  1831 weight  0.10000E+01 volume  0.90050E-03 ppm1      2.318 ppm2      0.762 CV     1
 ASSI { 1835}
   (( segid "    " and resid 19   and name HG# ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak  1835 weight  0.10000E+01 volume  0.32308E-02 ppm1      2.360 ppm2      7.784 CV     1
 ASSI { 1836}
   (( segid "    " and resid 19   and name HG# ))
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak  1836 weight  0.10000E+01 volume  0.33272E-03 ppm1      2.350 ppm2      9.487 CV     1
 ASSI { 1846}
   (( segid "    " and resid 36   and name HB# ))
   (  segid "    " and resid 5    and name HE% )
      2.800     1.000     1.000 peak  1846 weight  0.10000E+01 volume  0.19002E-02 ppm1      1.896 ppm2      7.410 CV     1
 ASSI { 1848}
   (( segid "    " and resid 36   and name HB# ))
   (( segid "    " and resid 37   and name HN  ))
      3.000     1.100     1.100 peak  1848 weight  0.10000E+01 volume  0.12517E-02 ppm1      1.899 ppm2      8.842 CV     1
 ASSI { 1853}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 93   and name HE% )
      3.100     1.200     1.200 peak  1853 weight  0.10000E+01 volume  0.97894E-03 ppm1      1.742 ppm2      0.974 CV     1
 ASSI { 1854}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 109  and name HG1#))
      4.000     2.000     2.000 peak  1854 weight  0.10000E+01 volume  0.24765E-03 ppm1      1.748 ppm2      1.322 CV     1
 ASSI { 1862}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.400     1.400 peak  1862 weight  0.10000E+01 volume  0.74431E-03 ppm1      1.744 ppm2      9.502 CV     1
 ASSI { 1863}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 62   and name HE% )
      4.300     2.300     1.700 peak  1863 weight  0.10000E+01 volume  0.14855E-03 ppm1      1.752 ppm2      6.517 CV     1
 ASSI { 1865}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 100  and name HN  ))
      4.600     2.700     1.400 peak  1865 weight  0.10000E+01 volume  0.99615E-04 ppm1      2.067 ppm2      8.148 CV     1
 ASSI { 1866}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 100  and name HE# ))
      4.300     2.300     1.700 peak  1866 weight  0.10000E+01 volume  0.15980E-03 ppm1      1.619 ppm2      7.782 CV     1
 ASSI { 1867}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 100  and name HN  ))
      4.100     2.100     1.900 peak  1867 weight  0.10000E+01 volume  0.20006E-03 ppm1      1.619 ppm2      8.146 CV     1
 ASSI { 1869}
   (( segid "    " and resid 99   and name HG# ))
   (( segid "    " and resid 99   and name HN  ))
      2.900     1.000     1.000 peak  1869 weight  0.10000E+01 volume  0.16512E-02 ppm1      1.610 ppm2      7.391 CV     1
 ASSI { 1879}
   (( segid "    " and resid 85   and name HB  ))
   (( segid "    " and resid 82   and name HN  ))
      3.600     1.600     1.600 peak  1879 weight  0.10000E+01 volume  0.45031E-03 ppm1      2.200 ppm2      9.346 CV     1
 ASSI { 1880}
   (( segid "    " and resid 61   and name HG# ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak  1880 weight  0.10000E+01 volume  0.16566E-02 ppm1      2.498 ppm2      8.866 CV     1
 ASSI { 1881}
   (( segid "    " and resid 61   and name HG# ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.100     1.100 peak  1881 weight  0.10000E+01 volume  0.15014E-02 ppm1      2.495 ppm2      8.726 CV     1
 ASSI { 1882}
   (( segid "    " and resid 61   and name HG# ))
   (( segid "    " and resid 61   and name HE22))
      2.800     1.000     1.000 peak  1882 weight  0.10000E+01 volume  0.20527E-02 ppm1      2.497 ppm2      7.588 CV     1
 ASSI { 1884}
   (( segid "    " and resid 61   and name HG# ))
   (( segid "    " and resid 61   and name HE21))
      3.200     1.300     1.300 peak  1884 weight  0.10000E+01 volume  0.81895E-03 ppm1      2.493 ppm2      6.868 CV     1
 ASSI { 1886}
   (( segid "    " and resid 61   and name HG# ))
   (( segid "    " and resid 61   and name HB# ))
      2.100     0.600     0.600 peak  1886 weight  0.10000E+01 volume  0.10542E-01 ppm1      2.495 ppm2      2.096 CV     1
 ASSI { 1887}
   (( segid "    " and resid 61   and name HG# ))
   (  segid "    " and resid 58   and name HG# )
      3.500     1.500     1.500 peak  1887 weight  0.10000E+01 volume  0.53134E-03 ppm1      2.491 ppm2      1.271 CV     1
 ASSI { 1888}
   (( segid "    " and resid 61   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      2.700     0.900     0.900 peak  1888 weight  0.10000E+01 volume  0.22901E-02 ppm1      2.496 ppm2      1.002 CV     1
 ASSI { 1890}
   (( segid "    " and resid 85   and name HB  ))
   (  segid "    " and resid 82   and name HG# )
      3.300     1.400     1.400 peak  1890 weight  0.10000E+01 volume  0.70436E-03 ppm1      2.204 ppm2      0.646 CV     1
 ASSI { 1892}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 21   and name HB# ))
      4.500     2.500     1.500 peak  1892 weight  0.10000E+01 volume  0.12161E-03 ppm1      2.949 ppm2      1.855 CV     1
 ASSI { 1902}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 105  and name HN  ))
      3.000     1.100     1.100 peak  1902 weight  0.10000E+01 volume  0.13288E-02 ppm1      3.481 ppm2      7.870 CV     1
 ASSI { 1903}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 105  and name HN  ))
      3.100     1.200     1.200 peak  1903 weight  0.10000E+01 volume  0.10049E-02 ppm1      2.949 ppm2      7.864 CV     1
 ASSI { 1904}
   (( segid "    " and resid 105  and name HB# ))
   (  segid "    " and resid 105  and name HE% )
      4.100     2.100     1.900 peak  1904 weight  0.10000E+01 volume  0.19769E-03 ppm1      2.948 ppm2      7.319 CV     1
 OR { 1904}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 105  and name HZ  ))
 ASSI { 1906}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 21   and name HN  ))
      3.900     1.900     1.900 peak  1906 weight  0.10000E+01 volume  0.25210E-03 ppm1      3.496 ppm2      8.664 CV     1
 ASSI { 1907}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak  1907 weight  0.10000E+01 volume  0.48510E-03 ppm1      2.939 ppm2      8.692 CV     1
 ASSI { 1908}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 20   and name HN  ))
      4.700     2.700     1.300 peak  1908 weight  0.10000E+01 volume  0.94045E-04 ppm1      2.937 ppm2      9.506 CV     1
 ASSI { 1912}
   (( segid "    " and resid 49   and name HB# ))
   (  segid "    " and resid 34   and name HG# )
      2.900     1.100     1.100 peak  1912 weight  0.10000E+01 volume  0.15860E-02 ppm1      2.144 ppm2      0.657 CV     1
 ASSI { 1916}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 49   and name HG# ))
      2.300     0.700     0.700 peak  1916 weight  0.10000E+01 volume  0.61717E-02 ppm1      1.951 ppm2      1.739 CV     1
 ASSI { 1919}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 36   and name HG# ))
      4.300     2.300     1.700 peak  1919 weight  0.10000E+01 volume  0.14515E-03 ppm1      2.162 ppm2      2.568 CV     1
 ASSI { 1920}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 36   and name HG# ))
      5.300     3.500     0.700 peak  1920 weight  0.10000E+01 volume  0.43668E-04 ppm1      1.940 ppm2      2.601 CV     1
 ASSI { 1921}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 49   and name HE# ))
      3.400     1.400     1.400 peak  1921 weight  0.10000E+01 volume  0.66100E-03 ppm1      1.956 ppm2      3.239 CV     1
 ASSI { 1925}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 50   and name HN  ))
      4.200     2.200     1.800 peak  1925 weight  0.10000E+01 volume  0.18448E-03 ppm1      2.144 ppm2      7.006 CV     1
 ASSI { 1926}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak  1926 weight  0.10000E+01 volume  0.83361E-03 ppm1      1.948 ppm2      6.993 CV     1
 ASSI { 1927}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak  1927 weight  0.10000E+01 volume  0.14721E-03 ppm1      2.149 ppm2      9.118 CV     1
 ASSI { 1929}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      3.500     1.500     1.500 peak  1929 weight  0.10000E+01 volume  0.54518E-03 ppm1      1.790 ppm2      7.561 CV     1
 ASSI { 1931}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 80   and name HE# ))
      3.100     1.200     1.200 peak  1931 weight  0.10000E+01 volume  0.10971E-02 ppm1      1.781 ppm2      6.696 CV     1
 ASSI { 1935}
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 67   and name HB# ))
      3.000     3.000     3.000 peak  1935 weight  0.10000E+01 volume  0.27651E-02 ppm1      1.785 ppm2      1.649 CV     1
 ASSI { 1942}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 47   and name HN  ))
      4.600     2.600     1.400 peak  1942 weight  0.10000E+01 volume  0.10261E-03 ppm1      1.623 ppm2      8.687 CV     1
 ASSI { 1943}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.000     1.000 peak  1943 weight  0.10000E+01 volume  0.16538E-02 ppm1      1.637 ppm2      7.442 CV     1
 ASSI { 1947}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  1947 weight  0.10000E+01 volume  0.18543E-02 ppm1      1.652 ppm2      4.504 CV     1
 ASSI { 1948}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 69   and name HD# ))
      4.100     2.100     1.900 peak  1948 weight  0.10000E+01 volume  0.21214E-03 ppm1      1.633 ppm2      3.294 CV     1
 ASSI { 1952}
   (( segid "    " and resid 48   and name HB# ))
   (( segid "    " and resid 48   and name HD# ))
      2.200     0.600     0.600 peak  1952 weight  0.10000E+01 volume  0.78778E-02 ppm1      1.665 ppm2      1.505 CV     1
 ASSI { 1956}
   (( segid "    " and resid 50   and name HB# ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.300     1.300 peak  1956 weight  0.10000E+01 volume  0.78777E-03 ppm1      1.652 ppm2      9.509 CV     1
 ASSI { 1959}
   (( segid "    " and resid 30   and name HB# ))
   (  segid "    " and resid 52   and name HD# )
      2.900     1.000     1.000 peak  1959 weight  0.10000E+01 volume  0.17602E-02 ppm1      1.139 ppm2      0.486 CV     1
 ASSI { 1960}
   (( segid "    " and resid 30   and name HB# ))
   (  segid "    " and resid 52   and name HD# )
      3.200     1.300     1.300 peak  1960 weight  0.10000E+01 volume  0.89483E-03 ppm1      1.437 ppm2      0.479 CV     1
 ASSI { 1962}
   (( segid "    " and resid 30   and name HB# ))
   (( segid "    " and resid 30   and name HG# ))
      2.400     0.700     0.700 peak  1962 weight  0.10000E+01 volume  0.54452E-02 ppm1      1.429 ppm2      1.291 CV     1
 ASSI { 1971}
   (( segid "    " and resid 30   and name HB# ))
   (  segid "    " and resid 27   and name HD% )
      4.400     2.500     1.600 peak  1971 weight  0.10000E+01 volume  0.12408E-03 ppm1      1.434 ppm2      7.139 CV     1
 ASSI { 1973}
   (( segid "    " and resid 30   and name HB# ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.700     1.700 peak  1973 weight  0.10000E+01 volume  0.40860E-03 ppm1      1.129 ppm2      7.803 CV     1
 ASSI { 1974}
   (( segid "    " and resid 30   and name HB# ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak  1974 weight  0.10000E+01 volume  0.39559E-03 ppm1      1.144 ppm2      8.395 CV     1
 ASSI { 1975}
   (( segid "    " and resid 30   and name HB# ))
   (( segid "    " and resid 53   and name HN  ))
      4.200     2.200     1.800 peak  1975 weight  0.10000E+01 volume  0.16775E-03 ppm1      1.432 ppm2      8.411 CV     1
 ASSI { 1979}
   (( segid "    " and resid 50   and name HB# ))
   (( segid "    " and resid 50   and name HG# ))
      2.400     0.700     0.700 peak  1979 weight  0.10000E+01 volume  0.55364E-02 ppm1      1.240 ppm2      1.012 CV     1
 ASSI { 1984}
   (( segid "    " and resid 50   and name HB# ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.400     1.400 peak  1984 weight  0.10000E+01 volume  0.65553E-03 ppm1      1.235 ppm2      9.504 CV     1
 ASSI { 1985}
   (( segid "    " and resid 116  and name HB  ))
   (  segid "    " and resid 116  and name HG# )
      1.900     0.400     0.400 peak  1985 weight  0.10000E+01 volume  0.20971E-01 ppm1      1.814 ppm2      0.752 CV     1
 ASSI { 1986}
   (( segid "    " and resid 116  and name HB  ))
   (( segid "    " and resid 119  and name HB# ))
      2.600     0.800     0.800 peak  1986 weight  0.10000E+01 volume  0.32893E-02 ppm1      1.811 ppm2      1.467 CV     1
 ASSI { 1987}
   (( segid "    " and resid 116  and name HB  ))
   (  segid "    " and resid 81   and name HE% )
      4.200     2.200     1.800 peak  1987 weight  0.10000E+01 volume  0.17735E-03 ppm1      1.812 ppm2      7.195 CV     1
 OR { 1987}
   (( segid "    " and resid 116  and name HB  ))
   (( segid "    " and resid 81   and name HZ  ))
 ASSI { 1988}
   (( segid "    " and resid 116  and name HB  ))
   (( segid "    " and resid 119  and name HN  ))
      3.900     1.900     1.900 peak  1988 weight  0.10000E+01 volume  0.25137E-03 ppm1      1.814 ppm2      7.381 CV     1
 ASSI { 1990}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      3.500     1.500     1.500 peak  1990 weight  0.10000E+01 volume  0.54486E-03 ppm1      2.051 ppm2      8.710 CV     1
 ASSI { 1991}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 51   and name HD% )
      3.700     1.700     1.700 peak  1991 weight  0.10000E+01 volume  0.36586E-03 ppm1      2.044 ppm2      7.063 CV     1
 ASSI { 1996}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 109  and name HB  ))
      3.600     1.700     1.700 peak  1996 weight  0.10000E+01 volume  0.40654E-03 ppm1      2.055 ppm2      1.544 CV     1
 ASSI { 1997}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG# )
      1.900     0.400     0.400 peak  1997 weight  0.10000E+01 volume  0.22941E-01 ppm1      2.052 ppm2      0.874 CV     1
 ASSI { 1998}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 83   and name HN  ))
      3.700     1.800     1.800 peak  1998 weight  0.10000E+01 volume  0.34469E-03 ppm1      1.720 ppm2      9.839 CV     1
 ASSI { 2000}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 81   and name HA  ))
      4.900     3.000     1.100 peak  2000 weight  0.10000E+01 volume  0.70405E-04 ppm1      1.723 ppm2      5.078 CV     1
 ASSI { 2002}
   (( segid "    " and resid 82   and name HB  ))
   (( segid "    " and resid 87   and name HD# ))
      3.500     1.500     1.500 peak  2002 weight  0.10000E+01 volume  0.54001E-03 ppm1      1.718 ppm2      3.953 CV     1
 ASSI { 2006}
   (( segid "    " and resid 82   and name HB  ))
   (  segid "    " and resid 109  and name HD# )
      3.300     1.400     1.400 peak  2006 weight  0.10000E+01 volume  0.71799E-03 ppm1      1.725 ppm2      0.301 CV     1
 ASSI { 2007}
   (( segid "    " and resid 82   and name HB  ))
   (  segid "    " and resid 109  and name HG# )
      4.600     2.700     1.400 peak  2007 weight  0.10000E+01 volume  0.95078E-04 ppm1      1.725 ppm2      0.496 CV     1
 ASSI { 2008}
   (( segid "    " and resid 95   and name HG# ))
   (( segid "    " and resid 94   and name HN  ))
      5.000     3.100     1.000 peak  2008 weight  0.10000E+01 volume  0.59875E-04 ppm1      2.505 ppm2      9.487 CV     1
 ASSI { 2010}
   (( segid "    " and resid 95   and name HG# ))
   (( segid "    " and resid 92   and name HN  ))
      3.300     1.300     1.300 peak  2010 weight  0.10000E+01 volume  0.78581E-03 ppm1      2.492 ppm2      8.187 CV     1
 ASSI { 2011}
   (( segid "    " and resid 95   and name HG# ))
   (( segid "    " and resid 95   and name HE22))
      3.200     1.300     1.300 peak  2011 weight  0.10000E+01 volume  0.83784E-03 ppm1      2.494 ppm2      6.871 CV     1
 ASSI { 2012}
   (( segid "    " and resid 95   and name HG# ))
   (( segid "    " and resid 95   and name HB# ))
      2.100     0.600     0.600 peak  2012 weight  0.10000E+01 volume  0.10769E-01 ppm1      2.495 ppm2      2.142 CV     1
 ASSI { 2015}
   (( segid "    " and resid 95   and name HG# ))
   (  segid "    " and resid 96   and name HD# )
      4.800     2.900     1.200 peak  2015 weight  0.10000E+01 volume  0.76289E-04 ppm1      2.494 ppm2      0.893 CV     1
 ASSI { 2019}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 32   and name HD# ))
      2.500     0.800     0.800 peak  2019 weight  0.10000E+01 volume  0.37379E-02 ppm1      1.387 ppm2      3.361 CV     1
 ASSI { 2020}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 55   and name HA  ))
      3.500     1.600     1.600 peak  2020 weight  0.10000E+01 volume  0.48819E-03 ppm1      1.396 ppm2      3.680 CV     1
 ASSI { 2022}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 23   and name HN  ))
      4.300     2.300     1.700 peak  2022 weight  0.10000E+01 volume  0.15516E-03 ppm1      1.236 ppm2      8.310 CV     1
 ASSI { 2024}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 25   and name HN  ))
      4.200     2.200     1.800 peak  2024 weight  0.10000E+01 volume  0.17178E-03 ppm1      1.488 ppm2      7.378 CV     1
 ASSI { 2025}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak  2025 weight  0.10000E+01 volume  0.45826E-03 ppm1      1.236 ppm2      7.392 CV     1
 ASSI { 2030}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 26   and name HE# ))
      3.600     1.600     1.600 peak  2030 weight  0.10000E+01 volume  0.41623E-03 ppm1      1.476 ppm2      2.800 CV     1
 ASSI { 2031}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 22   and name HD# ))
      2.600     0.900     0.900 peak  2031 weight  0.10000E+01 volume  0.28288E-02 ppm1      1.238 ppm2      1.680 CV     1
 OR { 2031}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 22   and name HG# ))
 ASSI { 2038}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 96   and name HB# ))
      4.300     2.300     1.700 peak  2038 weight  0.10000E+01 volume  0.14494E-03 ppm1      3.078 ppm2      1.587 CV     1
 ASSI { 2039}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 107  and name HB# ))
      5.000     3.200     1.000 peak  2039 weight  0.10000E+01 volume  0.57398E-04 ppm1      3.092 ppm2      2.022 CV     1
 ASSI { 2045}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 83   and name HD21))
      3.500     1.500     1.500 peak  2045 weight  0.10000E+01 volume  0.55757E-03 ppm1      3.083 ppm2      7.236 CV     1
 ASSI { 2046}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 83   and name HD21))
      4.100     2.100     1.900 peak  2046 weight  0.10000E+01 volume  0.20099E-03 ppm1      2.810 ppm2      7.255 CV     1
 ASSI { 2047}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  2047 weight  0.10000E+01 volume  0.86674E-03 ppm1      2.803 ppm2      7.380 CV     1
 ASSI { 2048}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 101  and name HN  ))
      3.100     1.200     1.200 peak  2048 weight  0.10000E+01 volume  0.10133E-02 ppm1      3.082 ppm2      8.422 CV     1
 ASSI { 2049}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 101  and name HN  ))
      3.900     1.900     1.900 peak  2049 weight  0.10000E+01 volume  0.25364E-03 ppm1      2.803 ppm2      8.427 CV     1
 ASSI { 2054}
   (( segid "    " and resid 3    and name HB# ))
   (( segid "    " and resid 3    and name HG# ))
      1.900     0.500     0.500 peak  2054 weight  0.10000E+01 volume  0.18598E-01 ppm1      1.870 ppm2      2.139 CV     1
 ASSI { 2058}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 117  and name HE% )
      6.000     5.700     0.000 peak  2058 weight  0.10000E+01 volume  0.10117E-04 ppm1      1.752 ppm2      6.589 CV     1
 OR { 2058}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 117  and name HD% )
 ASSI { 2059}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 117  and name HE% )
      5.000     3.100     1.000 peak  2059 weight  0.10000E+01 volume  0.63695E-04 ppm1      1.878 ppm2      6.600 CV     1
 OR { 2059}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 117  and name HD% )
 ASSI { 2061}
   (( segid "    " and resid 3    and name HB# ))
   (  segid "    " and resid 5    and name HD% )
      3.400     1.500     1.500 peak  2061 weight  0.10000E+01 volume  0.57790E-03 ppm1      1.866 ppm2      7.232 CV     1
 ASSI { 2064}
   (( segid "    " and resid 3    and name HB# ))
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak  2064 weight  0.10000E+01 volume  0.27884E-03 ppm1      1.865 ppm2      8.078 CV     1
 ASSI { 2068}
   (( segid "    " and resid 4    and name HB# ))
   (( segid "    " and resid 4    and name HG# ))
      2.400     0.700     0.700 peak  2068 weight  0.10000E+01 volume  0.48866E-02 ppm1      1.690 ppm2      1.239 CV     1
 ASSI { 2069}
   (( segid "    " and resid 4    and name HB# ))
   (( segid "    " and resid 4    and name HG# ))
      2.100     0.600     0.600 peak  2069 weight  0.10000E+01 volume  0.10073E-01 ppm1      1.689 ppm2      1.417 CV     1
 ASSI { 2073}
   (( segid "    " and resid 98   and name HG# ))
   (( segid "    " and resid 99   and name HN  ))
      3.200     1.300     1.300 peak  2073 weight  0.10000E+01 volume  0.89266E-03 ppm1      2.593 ppm2      7.400 CV     1
 ASSI { 2074}
   (( segid "    " and resid 98   and name HG# ))
   (( segid "    " and resid 98   and name HE22))
      4.100     2.100     1.900 peak  2074 weight  0.10000E+01 volume  0.18860E-03 ppm1      2.597 ppm2      7.601 CV     1
 ASSI { 2076}
   (( segid "    " and resid 98   and name HG# ))
   (( segid "    " and resid 97   and name HN  ))
      5.000     3.200     1.000 peak  2076 weight  0.10000E+01 volume  0.58430E-04 ppm1      2.599 ppm2      9.035 CV     1
 ASSI { 2077}
   (( segid "    " and resid 114  and name HB# ))
   (( segid "    " and resid 116  and name HN  ))
      2.700     0.900     0.900 peak  2077 weight  0.10000E+01 volume  0.26679E-02 ppm1      2.076 ppm2      6.977 CV     1
 ASSI { 2082}
   (( segid "    " and resid 114  and name HB# ))
   (( segid "    " and resid 113  and name HN  ))
      4.200     2.200     1.800 peak  2082 weight  0.10000E+01 volume  0.16466E-03 ppm1      1.888 ppm2      9.422 CV     1
 ASSI { 2083}
   (( segid "    " and resid 114  and name HB# ))
   (( segid "    " and resid 112  and name HG  ))
      4.200     2.200     1.800 peak  2083 weight  0.10000E+01 volume  0.16435E-03 ppm1      1.871 ppm2      6.503 CV     1
 ASSI { 2084}
   (( segid "    " and resid 114  and name HB# ))
   (( segid "    " and resid 112  and name HB# ))
      3.300     1.400     1.400 peak  2084 weight  0.10000E+01 volume  0.67835E-03 ppm1      1.872 ppm2      4.231 CV     1
 ASSI { 2089}
   (( segid "    " and resid 114  and name HB# ))
   (  segid "    " and resid 116  and name HG# )
      3.400     1.400     1.400 peak  2089 weight  0.10000E+01 volume  0.62405E-03 ppm1      2.078 ppm2      0.760 CV     1
 ASSI { 2090}
   (( segid "    " and resid 114  and name HB# ))
   (  segid "    " and resid 116  and name HG# )
      3.500     1.600     1.600 peak  2090 weight  0.10000E+01 volume  0.49314E-03 ppm1      1.873 ppm2      0.761 CV     1
 ASSI { 2091}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 31   and name HG# )
      2.600     0.800     0.800 peak  2091 weight  0.10000E+01 volume  0.34471E-02 ppm1      1.968 ppm2      0.415 CV     1
 ASSI { 2093}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 57   and name HD# )
      3.100     1.200     1.200 peak  2093 weight  0.10000E+01 volume  0.11219E-02 ppm1      1.969 ppm2      0.977 CV     1
 ASSI { 2094}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 57   and name HB# ))
      2.500     0.800     0.800 peak  2094 weight  0.10000E+01 volume  0.37485E-02 ppm1      1.956 ppm2      1.482 CV     1
 ASSI { 2097}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 57   and name HN  ))
      4.800     2.900     1.200 peak  2097 weight  0.10000E+01 volume  0.79283E-04 ppm1      1.971 ppm2      7.455 CV     1
 ASSI { 2098}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  2098 weight  0.10000E+01 volume  0.22340E-02 ppm1      1.962 ppm2      8.404 CV     1
 ASSI { 2099}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 31   and name HN  ))
      3.500     1.500     1.500 peak  2099 weight  0.10000E+01 volume  0.54445E-03 ppm1      1.967 ppm2      9.133 CV     1
 ASSI { 2103}
   (( segid "    " and resid 12   and name HB# ))
   (( segid "    " and resid 12   and name HD# ))
      3.000     1.100     1.100 peak  2103 weight  0.10000E+01 volume  0.12365E-02 ppm1      2.082 ppm2      3.721 CV     1
 ASSI { 2106}
   (( segid "    " and resid 12   and name HB# ))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak  2106 weight  0.10000E+01 volume  0.44349E-03 ppm1      2.096 ppm2      9.562 CV     1
 ASSI { 2107}
   (( segid "    " and resid 12   and name HB# ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak  2107 weight  0.10000E+01 volume  0.24218E-03 ppm1      2.593 ppm2      9.374 CV     1
 ASSI { 2108}
   (( segid "    " and resid 12   and name HB# ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak  2108 weight  0.10000E+01 volume  0.26304E-03 ppm1      2.596 ppm2      9.561 CV     1
 ASSI { 2110}
   (( segid "    " and resid 37   and name HB# ))
   (  segid "    " and resid 111  and name HD% )
      5.600     3.900     0.400 peak  2110 weight  0.10000E+01 volume  0.30454E-04 ppm1      1.580 ppm2      6.823 CV     1
 ASSI { 2111}
   (( segid "    " and resid 37   and name HB# ))
   (  segid "    " and resid 43   and name HD# )
      3.900     1.900     1.900 peak  2111 weight  0.10000E+01 volume  0.29101E-03 ppm1      1.574 ppm2      1.114 CV     1
 ASSI { 2113}
   (( segid "    " and resid 25   and name HB# ))
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak  2113 weight  0.10000E+01 volume  0.33571E-03 ppm1      1.752 ppm2      8.039 CV     1
 ASSI { 2115}
   (( segid "    " and resid 25   and name HB# ))
   (( segid "    " and resid 25   and name HG# ))
      2.000     0.500     0.500 peak  2115 weight  0.10000E+01 volume  0.15709E-01 ppm1      1.756 ppm2      1.445 CV     1
 ASSI { 2117}
   (( segid "    " and resid 25   and name HB# ))
   (( segid "    " and resid 26   and name HG# ))
      3.300     1.400     1.400 peak  2117 weight  0.10000E+01 volume  0.70498E-03 ppm1      1.761 ppm2      0.948 CV     1
 ASSI { 2118}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak  2118 weight  0.10000E+01 volume  0.28048E-03 ppm1      2.020 ppm2      9.577 CV     1
 ASSI { 2119}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak  2119 weight  0.10000E+01 volume  0.53315E-02 ppm1      2.015 ppm2      8.036 CV     1
 ASSI { 2122}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 12   and name HD# ))
      4.000     2.000     2.000 peak  2122 weight  0.10000E+01 volume  0.18340E-01 ppm1      2.018 ppm2      4.040 CV     1
 ASSI { 2123}
   (( segid "    " and resid 15   and name HB# ))
   (( segid "    " and resid 12   and name HD# ))
      2.500     0.800     0.800 peak  2123 weight  0.10000E+01 volume  0.36865E-02 ppm1      2.014 ppm2      3.718 CV     1
 ASSI { 2128}
   (( segid "    " and resid 54   and name HB# ))
   (  segid "    " and resid 57   and name HD# )
      3.500     1.600     1.600 peak  2128 weight  0.10000E+01 volume  0.48159E-03 ppm1      2.547 ppm2      0.887 CV     1
 ASSI { 2131}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 57   and name HB# ))
      2.900     1.100     1.100 peak  2131 weight  0.10000E+01 volume  0.14687E-02 ppm1      2.556 ppm2      1.479 CV     1
 ASSI { 2133}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 54   and name HD# ))
      3.200     1.300     1.300 peak  2133 weight  0.10000E+01 volume  0.85373E-03 ppm1      2.554 ppm2      3.544 CV     1
 ASSI { 2136}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak  2136 weight  0.10000E+01 volume  0.18635E-02 ppm1      2.552 ppm2      8.268 CV     1
 ASSI { 2137}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  2137 weight  0.10000E+01 volume  0.27370E-02 ppm1      2.550 ppm2      8.351 CV     1
 ASSI { 2139}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 21   and name HN  ))
      4.600     2.600     1.400 peak  2139 weight  0.10000E+01 volume  0.10437E-03 ppm1      1.981 ppm2      8.681 CV     1
 ASSI { 2140}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  2140 weight  0.10000E+01 volume  0.20812E-03 ppm1      1.929 ppm2      8.691 CV     1
 ASSI { 2141}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 20   and name HN  ))
      4.300     2.300     1.700 peak  2141 weight  0.10000E+01 volume  0.14515E-03 ppm1      1.983 ppm2      9.537 CV     1
 ASSI { 2144}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 54   and name HD# ))
      2.900     1.000     1.000 peak  2144 weight  0.10000E+01 volume  0.17070E-02 ppm1      2.002 ppm2      3.996 CV     1
 ASSI { 2147}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 23   and name HA  ))
      4.100     2.100     1.900 peak  2147 weight  0.10000E+01 volume  0.22599E-02 ppm1      2.008 ppm2      3.725 CV     1
 ASSI { 2148}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 54   and name HD# ))
      3.000     1.100     1.100 peak  2148 weight  0.10000E+01 volume  0.12793E-02 ppm1      2.000 ppm2      3.552 CV     1
 ASSI { 2150}
   (( segid "    " and resid 54   and name HB# ))
   (( segid "    " and resid 54   and name HG# ))
      2.000     0.500     0.500 peak  2150 weight  0.10000E+01 volume  0.13005E-01 ppm1      2.003 ppm2      2.242 CV     1
 ASSI { 2153}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HD# ))
      2.100     0.500     0.500 peak  2153 weight  0.10000E+01 volume  0.11223E-01 ppm1      1.987 ppm2      1.670 CV     1
 ASSI { 2154}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HG# ))
      2.400     0.700     0.700 peak  2154 weight  0.10000E+01 volume  0.49110E-02 ppm1      1.918 ppm2      1.668 CV     1
 OR { 2154}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HD# ))
 ASSI { 2157}
   (( segid "    " and resid 54   and name HB# ))
   (  segid "    " and resid 57   and name HD# )
      2.900     1.100     1.100 peak  2157 weight  0.10000E+01 volume  0.15196E-02 ppm1      2.013 ppm2      1.000 CV     1
 ASSI { 2161}
   (( segid "    " and resid 93   and name HG# ))
   (  segid "    " and resid 31   and name HG# )
      4.100     2.100     1.900 peak  2161 weight  0.10000E+01 volume  0.19872E-03 ppm1      2.396 ppm2      0.416 CV     1
 ASSI { 2165}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 57   and name HB# ))
      2.500     0.800     0.800 peak  2165 weight  0.10000E+01 volume  0.35722E-02 ppm1      2.381 ppm2      1.723 CV     1
 ASSI { 2168}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 93   and name HB# ))
      2.200     0.600     0.600 peak  2168 weight  0.10000E+01 volume  0.87868E-02 ppm1      2.377 ppm2      1.980 CV     1
 ASSI { 2170}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 62   and name HB# ))
      3.600     1.600     1.600 peak  2170 weight  0.10000E+01 volume  0.45165E-03 ppm1      2.187 ppm2      3.153 CV     1
 ASSI { 2171}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 62   and name HB# ))
      3.800     1.800     1.800 peak  2171 weight  0.10000E+01 volume  0.32013E-03 ppm1      2.390 ppm2      3.133 CV     1
 ASSI { 2172}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 59   and name HA  ))
      3.500     1.500     1.500 peak  2172 weight  0.10000E+01 volume  0.55818E-03 ppm1      2.380 ppm2      3.687 CV     1
 ASSI { 2180}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 59   and name HN  ))
      4.100     2.100     1.900 peak  2180 weight  0.10000E+01 volume  0.21307E-03 ppm1      2.378 ppm2      9.096 CV     1
 ASSI { 2181}
   (( segid "    " and resid 68   and name HB# ))
   (  segid "    " and resid 65   and name HD# )
      3.800     1.800     1.800 peak  2181 weight  0.10000E+01 volume  0.31878E-03 ppm1      1.759 ppm2      0.859 CV     1
 ASSI { 2183}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 68   and name HG# ))
      2.100     0.600     0.600 peak  2183 weight  0.10000E+01 volume  0.10559E-01 ppm1      1.761 ppm2      1.344 CV     1
 ASSI { 2184}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 68   and name HD# ))
      2.100     0.600     0.600 peak  2184 weight  0.10000E+01 volume  0.10442E-01 ppm1      1.761 ppm2      1.614 CV     1
 ASSI { 2185}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 69   and name HG# ))
      2.700     0.900     0.900 peak  2185 weight  0.10000E+01 volume  0.24094E-02 ppm1      1.762 ppm2      1.896 CV     1
 ASSI { 2186}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 39   and name HG# ))
      1.800     0.400     0.400 peak  2186 weight  0.10000E+01 volume  0.28777E-01 ppm1      1.825 ppm2      2.009 CV     1
 ASSI { 2189}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  2189 weight  0.10000E+01 volume  0.17214E-02 ppm1      1.822 ppm2      8.430 CV     1
 ASSI { 2190}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 67   and name HN  ))
      4.000     2.000     2.000 peak  2190 weight  0.10000E+01 volume  0.24590E-03 ppm1      1.756 ppm2      8.550 CV     1
 ASSI { 2191}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 40   and name HE# ))
      4.000     2.000     2.000 peak  2191 weight  0.10000E+01 volume  0.23114E-03 ppm1      1.836 ppm2      2.908 CV     1
 ASSI { 2193}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.200     1.200 peak  2193 weight  0.10000E+01 volume  0.12019E-02 ppm1      2.325 ppm2      8.436 CV     1
 ASSI { 2200}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 24   and name HA  ))
      4.900     3.000     1.100 peak  2200 weight  0.10000E+01 volume  0.70405E-04 ppm1      2.336 ppm2      4.008 CV     1
 ASSI { 2201}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.400     1.400 peak  2201 weight  0.10000E+01 volume  0.66224E-03 ppm1      1.947 ppm2      8.559 CV     1
 ASSI { 2202}
   (( segid "    " and resid 28   and name HB# ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  2202 weight  0.10000E+01 volume  0.13365E-02 ppm1      2.328 ppm2      8.554 CV     1
 ASSI { 2204}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 88   and name HG# ))
      1.900     0.400     0.400 peak  2204 weight  0.10000E+01 volume  0.21895E-01 ppm1      2.458 ppm2      2.188 CV     1
 ASSI { 2207}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 88   and name HD# ))
      2.800     1.000     1.000 peak  2207 weight  0.10000E+01 volume  0.20662E-02 ppm1      2.459 ppm2      3.964 CV     1
 ASSI { 2211}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 90   and name HN  ))
      3.000     1.100     1.100 peak  2211 weight  0.10000E+01 volume  0.14085E-02 ppm1      2.050 ppm2      7.779 CV     1
 ASSI { 2219}
   (( segid "    " and resid 87   and name HB# ))
   (( segid "    " and resid 88   and name HD# ))
      3.700     1.700     1.700 peak  2219 weight  0.10000E+01 volume  0.35553E-03 ppm1      2.190 ppm2      3.581 CV     1
 ASSI { 2221}
   (( segid "    " and resid 87   and name HB# ))
   (( segid "    " and resid 87   and name HD# ))
      2.200     0.600     0.600 peak  2221 weight  0.10000E+01 volume  0.78064E-02 ppm1      2.186 ppm2      4.091 CV     1
 ASSI { 2224}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak  2224 weight  0.10000E+01 volume  0.18906E-02 ppm1      2.244 ppm2     10.538 CV     1
 ASSI { 2228}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 60   and name HA# ))
      3.900     1.900     1.900 peak  2228 weight  0.10000E+01 volume  0.26014E-03 ppm1      2.396 ppm2      4.069 CV     1
 ASSI { 2230}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 49   and name HE# ))
      4.800     2.900     1.200 peak  2230 weight  0.10000E+01 volume  0.76599E-04 ppm1      2.244 ppm2      3.212 CV     1
 ASSI { 2231}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 36   and name HG# ))
      4.300     2.300     1.700 peak  2231 weight  0.10000E+01 volume  0.14876E-03 ppm1      2.233 ppm2      2.580 CV     1
 ASSI { 2238}
   (( segid "    " and resid 32   and name HB# ))
   (  segid "    " and resid 106  and name HD% )
      2.900     1.000     1.000 peak  2238 weight  0.10000E+01 volume  0.16508E-02 ppm1      1.871 ppm2      6.867 CV     1
 ASSI { 2242}
   (( segid "    " and resid 40   and name HB# ))
   (( segid "    " and resid 40   and name HE# ))
      4.500     2.600     1.500 peak  2242 weight  0.10000E+01 volume  0.10840E-03 ppm1      1.880 ppm2      2.918 CV     1
 ASSI { 2250}
   (( segid "    " and resid 32   and name HB# ))
   (( segid "    " and resid 32   and name HD# ))
      3.200     1.300     1.300 peak  2250 weight  0.10000E+01 volume  0.88698E-03 ppm1      1.597 ppm2      3.357 CV     1
 ASSI { 2251}
   (( segid "    " and resid 32   and name HB# ))
   (( segid "    " and resid 31   and name HA  ))
      5.600     3.900     0.400 peak  2251 weight  0.10000E+01 volume  0.32518E-04 ppm1      1.599 ppm2      4.152 CV     1
 ASSI { 2259}
   (( segid "    " and resid 40   and name HB# ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak  2259 weight  0.10000E+01 volume  0.25121E-02 ppm1      1.809 ppm2      8.425 CV     1
 ASSI { 2270}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 99   and name HG# ))
      1.500     0.300     0.700 peak  2270 weight  0.10000E+01 volume  0.75226E-01 ppm1      1.817 ppm2      1.608 CV     1
 ASSI { 2271}
   (( segid "    " and resid 99   and name HB# ))
   (  segid "    " and resid 96   and name HD# )
      3.400     1.400     1.400 peak  2271 weight  0.10000E+01 volume  0.61589E-03 ppm1      1.819 ppm2      0.912 CV     1
 ASSI { 2273}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 100  and name HE# ))
      5.000     3.100     1.000 peak  2273 weight  0.10000E+01 volume  0.64108E-04 ppm1      1.494 ppm2      7.789 CV     1
 ASSI { 2274}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 100  and name HB# ))
      5.400     3.600     0.600 peak  2274 weight  0.10000E+01 volume  0.39435E-04 ppm1      1.486 ppm2      2.798 CV     1
 ASSI { 2276}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 76   and name HN  ))
      3.300     1.400     1.400 peak  2276 weight  0.10000E+01 volume  0.74731E-03 ppm1      1.669 ppm2      7.476 CV     1
 ASSI { 2277}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.700     1.700 peak  2277 weight  0.10000E+01 volume  0.40736E-03 ppm1      2.126 ppm2      7.472 CV     1
 ASSI { 2278}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 75   and name HN  ))
      3.100     1.200     1.200 peak  2278 weight  0.10000E+01 volume  0.10472E-02 ppm1      2.124 ppm2      8.798 CV     1
 ASSI { 2280}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 73   and name HD# ))
      2.800     0.900     0.900 peak  2280 weight  0.10000E+01 volume  0.21976E-02 ppm1      1.669 ppm2      3.257 CV     1
 ASSI { 2282}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 76   and name HB# ))
      4.700     2.700     1.300 peak  2282 weight  0.10000E+01 volume  0.91671E-04 ppm1      2.102 ppm2      2.824 CV     1
 ASSI { 2283}
   (( segid "    " and resid 73   and name HB# ))
   (( segid "    " and resid 76   and name HB# ))
      4.000     2.000     2.000 peak  2283 weight  0.10000E+01 volume  0.24456E-03 ppm1      1.676 ppm2      2.745 CV     1
 ASSI { 2287}
   (( segid "    " and resid 73   and name HB# ))
   (  segid "    " and resid 74   and name HB% )
      3.900     1.900     1.900 peak  2287 weight  0.10000E+01 volume  0.28987E-03 ppm1      2.123 ppm2      1.398 CV     1
 ASSI { 2288}
   (( segid "    " and resid 102  and name HB# ))
   (( segid "    " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak  2288 weight  0.10000E+01 volume  0.20249E-02 ppm1      2.714 ppm2      8.821 CV     1
 ASSI { 2289}
   (( segid "    " and resid 102  and name HB# ))
   (( segid "    " and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  2289 weight  0.10000E+01 volume  0.11080E-02 ppm1      2.699 ppm2      7.828 CV     1
 ASSI { 2298}
   (( segid "    " and resid 10   and name HB# ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak  2298 weight  0.10000E+01 volume  0.14511E-02 ppm1      1.486 ppm2      8.097 CV     1
 ASSI { 2299}
   (( segid "    " and resid 10   and name HB# ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak  2299 weight  0.10000E+01 volume  0.14451E-02 ppm1      1.717 ppm2      8.077 CV     1
 ASSI { 2304}
   (( segid "    " and resid 10   and name HB# ))
   (( segid "    " and resid 11   and name HN  ))
      4.200     2.200     1.800 peak  2304 weight  0.10000E+01 volume  0.16910E-03 ppm1      1.487 ppm2      7.137 CV     1
 ASSI { 2305}
   (( segid "    " and resid 10   and name HB# ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak  2305 weight  0.10000E+01 volume  0.24714E-03 ppm1      1.683 ppm2      7.138 CV     1
 ASSI { 2320}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HD# ))
      2.700     0.900     0.900 peak  2320 weight  0.10000E+01 volume  0.23578E-02 ppm1      1.830 ppm2      3.285 CV     1
 ASSI { 2321}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HD# ))
      2.700     0.900     0.900 peak  2321 weight  0.10000E+01 volume  0.25798E-02 ppm1      1.930 ppm2      3.285 CV     1
 ASSI { 2322}
   (( segid "    " and resid 69   and name HB# ))
   (( segid "    " and resid 69   and name HG# ))
      2.400     0.700     0.700 peak  2322 weight  0.10000E+01 volume  0.44558E-02 ppm1      1.931 ppm2      1.698 CV     1
 ASSI { 2323}
   (( segid "    " and resid 69   and name HB# ))
   (  segid "    " and resid 46   and name HD# )
      2.400     0.700     0.700 peak  2323 weight  0.10000E+01 volume  0.44426E-02 ppm1      1.931 ppm2      0.917 CV     1
 ASSI { 2324}
   (( segid "    " and resid 69   and name HB# ))
   (  segid "    " and resid 46   and name HD# )
      2.600     0.900     0.900 peak  2324 weight  0.10000E+01 volume  0.28132E-02 ppm1      1.829 ppm2      0.904 CV     1
 ASSI { 2326}
   (( segid "    " and resid 69   and name HB# ))
   (  segid "    " and resid 70   and name HG# )
      3.300     1.400     1.400 peak  2326 weight  0.10000E+01 volume  0.73895E-03 ppm1      1.923 ppm2      0.745 CV     1
 ASSI { 2330}
   (( segid "    " and resid 69   and name HB# ))
   (  segid "    " and resid 66   and name HD# )
      3.400     1.400     1.400 peak  2330 weight  0.10000E+01 volume  0.61145E-03 ppm1      1.925 ppm2     -0.116 CV     1
 ASSI { 2339}
   (( segid "    " and resid 16   and name HG# ))
   (( segid "    " and resid 15   and name HB# ))
      2.800     1.000     1.000 peak  2339 weight  0.10000E+01 volume  0.20401E-02 ppm1      1.427 ppm2      1.978 CV     1
 ASSI { 2348}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.600     1.600 peak  2348 weight  0.10000E+01 volume  0.48571E-03 ppm1      1.565 ppm2      6.910 CV     1
 ASSI { 2352}
   (( segid "    " and resid 9    and name HB# ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak  2352 weight  0.10000E+01 volume  0.87697E-03 ppm1      2.148 ppm2      8.081 CV     1
 ASSI { 2354}
   (( segid "    " and resid 9    and name HB# ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak  2354 weight  0.10000E+01 volume  0.34215E-02 ppm1      2.141 ppm2      3.716 CV     1
 ASSI { 2355}
   (( segid "    " and resid 9    and name HB# ))
   (( segid "    " and resid 9    and name HG# ))
      1.600     0.300     0.600 peak  2355 weight  0.10000E+01 volume  0.64844E-01 ppm1      2.136 ppm2      2.293 CV     1
 ASSI { 2356}
   (( segid "    " and resid 9    and name HB# ))
   (  segid "    " and resid 6    and name HG# )
      3.700     1.800     1.800 peak  2356 weight  0.10000E+01 volume  0.34418E-03 ppm1      2.131 ppm2      1.134 CV     1
 ASSI { 2357}
   (( segid "    " and resid 9    and name HB# ))
   (  segid "    " and resid 6    and name HG# )
      3.500     1.600     1.600 peak  2357 weight  0.10000E+01 volume  0.48478E-03 ppm1      2.137 ppm2      1.003 CV     1
 ASSI { 2358}
   (( segid "    " and resid 49   and name HD# ))
   (  segid "    " and resid 34   and name HD# )
      4.100     2.100     1.900 peak  2358 weight  0.10000E+01 volume  0.20863E-03 ppm1      2.011 ppm2     -0.567 CV     1
 ASSI { 2361}
   (( segid "    " and resid 49   and name HD# ))
   (( segid "    " and resid 49   and name HG# ))
      2.000     0.500     0.500 peak  2361 weight  0.10000E+01 volume  0.15835E-01 ppm1      2.018 ppm2      1.750 CV     1
 ASSI { 2365}
   (( segid "    " and resid 49   and name HD# ))
   (( segid "    " and resid 7    and name HA  ))
      4.000     2.000     2.000 peak  2365 weight  0.10000E+01 volume  0.24900E-03 ppm1      2.026 ppm2      4.347 CV     1
 ASSI { 2366}
   (( segid "    " and resid 49   and name HD# ))
   (  segid "    " and resid 7    and name HE% )
      4.200     2.200     1.800 peak  2366 weight  0.10000E+01 volume  0.16620E-03 ppm1      2.024 ppm2      6.181 CV     1
 ASSI { 2371}
   (( segid "    " and resid 21   and name HB# ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak  2371 weight  0.10000E+01 volume  0.26580E-02 ppm1      1.926 ppm2      7.439 CV     1
 ASSI { 2372}
   (( segid "    " and resid 21   and name HB# ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak  2372 weight  0.10000E+01 volume  0.39724E-03 ppm1      1.908 ppm2      9.514 CV     1
 ASSI { 2373}
   (( segid "    " and resid 21   and name HB# ))
   (( segid "    " and resid 23   and name HN  ))
      4.100     2.100     1.900 peak  2373 weight  0.10000E+01 volume  0.21493E-03 ppm1      1.904 ppm2      8.306 CV     1
 ASSI { 2374}
   (( segid "    " and resid 21   and name HB# ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak  2374 weight  0.10000E+01 volume  0.12547E-02 ppm1      1.874 ppm2      7.459 CV     1
 ASSI { 2375}
   (( segid "    " and resid 21   and name HB# ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.700     0.700 peak  2375 weight  0.10000E+01 volume  0.66946E-02 ppm1      1.919 ppm2      8.661 CV     1
 ASSI { 2379}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HG# ))
      2.500     0.800     0.800 peak  2379 weight  0.10000E+01 volume  0.40557E-02 ppm1      1.532 ppm2      1.008 CV     1
 ASSI { 2381}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HG# ))
      2.200     0.600     0.600 peak  2381 weight  0.10000E+01 volume  0.86787E-02 ppm1      1.609 ppm2      1.201 CV     1
 OR { 2381}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 50   and name HB# ))
 ASSI { 2384}
   (( segid "    " and resid 50   and name HD# ))
   (  segid "    " and resid 7    and name HE% )
      3.900     1.900     1.900 peak  2384 weight  0.10000E+01 volume  0.27739E-03 ppm1      1.613 ppm2      6.174 CV     1
 ASSI { 2385}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 106  and name HZ  ))
      3.400     1.400     1.400 peak  2385 weight  0.10000E+01 volume  0.61196E-03 ppm1      1.608 ppm2      6.925 CV     1
 ASSI { 2393}
   (( segid "    " and resid 23   and name HG1#))
   (( segid "    " and resid 24   and name HN  ))
      4.200     2.200     1.800 peak  2393 weight  0.10000E+01 volume  0.18117E-03 ppm1      1.197 ppm2      7.774 CV     1
 ASSI { 2400}
   (( segid "    " and resid 23   and name HG1#))
   (  segid "    " and resid 52   and name HD# )
      3.000     1.100     1.100 peak  2400 weight  0.10000E+01 volume  0.12551E-02 ppm1      1.815 ppm2      0.461 CV     1
 ASSI { 2404}
   (( segid "    " and resid 67   and name HG# ))
   (( segid "    " and resid 67   and name HD# ))
      2.600     0.800     0.800 peak  2404 weight  0.10000E+01 volume  0.34003E-02 ppm1      1.566 ppm2      2.798 CV     1
 ASSI { 2409}
   (( segid "    " and resid 26   and name HD# ))
   (( segid "    " and resid 26   and name HG# ))
      2.300     0.700     0.700 peak  2409 weight  0.10000E+01 volume  0.60922E-02 ppm1      1.405 ppm2      0.936 CV     1
 ASSI { 2410}
   (( segid "    " and resid 48   and name HD# ))
   (( segid "    " and resid 48   and name HG# ))
      2.300     0.700     0.700 peak  2410 weight  0.10000E+01 volume  0.61300E-02 ppm1      1.397 ppm2      1.160 CV     1
 ASSI { 2411}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 37   and name HG# ))
      1.400     0.200     0.800 peak  2411 weight  0.10000E+01 volume  0.14850E+00 ppm1      1.495 ppm2      1.649 CV     1
 ASSI { 2413}
   (( segid "    " and resid 48   and name HD# ))
   (( segid "    " and resid 48   and name HE# ))
      2.400     0.700     0.700 peak  2413 weight  0.10000E+01 volume  0.48745E-02 ppm1      1.500 ppm2      2.687 CV     1
 ASSI { 2416}
   (( segid "    " and resid 48   and name HD# ))
   (  segid "    " and resid 51   and name HE% )
      3.900     1.900     1.900 peak  2416 weight  0.10000E+01 volume  0.26882E-03 ppm1      1.383 ppm2      6.610 CV     1
 ASSI { 2419}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.400     1.400 peak  2419 weight  0.10000E+01 volume  0.64541E-03 ppm1      1.490 ppm2      8.870 CV     1
 ASSI { 2428}
    (( segid "    " and resid 22   and name HD# ))
   (( segid "    " and resid 23   and name HN  ))
      4.700     2.800     1.300 peak  2428 weight  0.10000E+01 volume  0.88471E-04 ppm1      1.661 ppm2      8.295 CV     1
 OR { 2428}
   (( segid "    " and resid 22   and name HD# ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2429}
   (( segid "    " and resid 22   and name HD# ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak  2429 weight  0.10000E+01 volume  0.10294E-02 ppm1      1.690 ppm2      7.442 CV     1
 ASSI { 2433}
   (( segid "    " and resid 22   and name HD# ))
   (( segid "    " and resid 22   and name HG# ))
      2.100     0.500     0.500 peak  2433 weight  0.10000E+01 volume  0.11966E-01 ppm1      1.681 ppm2      1.360 CV     1
 ASSI { 2434}
   (( segid "    " and resid 22   and name HD# ))
   (  segid "    " and resid 23   and name HD# )
      2.400     0.700     0.700 peak  2434 weight  0.10000E+01 volume  0.49610E-02 ppm1      1.665 ppm2      0.861 CV     1
 ASSI { 2441}
   (( segid "    " and resid 103  and name HB# ))
   (( segid "    " and resid 13   and name HZ  ))
      2.400     0.700     0.700 peak  2441 weight  0.10000E+01 volume  0.44316E-02 ppm1      2.189 ppm2      7.291 CV     1
 ASSI { 2442}
   (( segid "    " and resid 103  and name HB# ))
   (( segid "    " and resid 103  and name HN  ))
      3.900     1.900     1.900 peak  2442 weight  0.10000E+01 volume  0.28689E-03 ppm1      2.187 ppm2      7.828 CV     1
 ASSI { 2443}
   (( segid "    " and resid 42   and name HB# ))
   (( segid "    " and resid 42   and name HG# ))
      2.200     0.600     0.600 peak  2443 weight  0.10000E+01 volume  0.83845E-02 ppm1      2.010 ppm2      1.708 CV     1
 ASSI { 2453}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 37   and name HG# ))
      2.400     0.700     0.700 peak  2453 weight  0.10000E+01 volume  0.51762E-02 ppm1      1.492 ppm2      0.848 CV     1
 ASSI { 2461}
   (( segid "    " and resid 17   and name HB# ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak  2461 weight  0.10000E+01 volume  0.12903E-02 ppm1      1.456 ppm2      8.861 CV     1
 ASSI { 2463}
   (( segid "    " and resid 48   and name HD# ))
   (( segid "    " and resid 48   and name HB# ))
      2.600     0.900     0.900 peak  2463 weight  0.10000E+01 volume  0.27761E-02 ppm1      1.412 ppm2      1.652 CV     1
 ASSI { 2465}
   (( segid "    " and resid 17   and name HB# ))
   (( segid "    " and resid 17   and name HG# ))
      2.600     0.800     0.800 peak  2465 weight  0.10000E+01 volume  0.30592E-02 ppm1      0.900 ppm2      1.793 CV     1
 ASSI { 2467}
   (( segid "    " and resid 17   and name HB# ))
   (( segid "    " and resid 104  and name HB# ))
      4.200     2.200     1.800 peak  2467 weight  0.10000E+01 volume  0.16930E-03 ppm1      0.914 ppm2      2.411 CV     1
 ASSI { 2473}
   (( segid "    " and resid 17   and name HB# ))
   (  segid "    " and resid 13   and name HD% )
      4.000     2.000     2.000 peak  2473 weight  0.10000E+01 volume  0.24952E-03 ppm1      0.901 ppm2      7.309 CV     1
 ASSI { 2476}
   (( segid "    " and resid 17   and name HB# ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak  2476 weight  0.10000E+01 volume  0.87676E-03 ppm1      0.907 ppm2      8.869 CV     1
 ASSI { 2477}
   (( segid "    " and resid 68   and name HD# ))
   (( segid "    " and resid 69   and name HN  ))
      3.200     1.300     1.300 peak  2477 weight  0.10000E+01 volume  0.83526E-03 ppm1      1.587 ppm2      7.519 CV     1
 ASSI { 2478}
   (( segid "    " and resid 75   and name HB# ))
   (( segid "    " and resid 76   and name HN  ))
      3.800     1.800     1.800 peak  2478 weight  0.10000E+01 volume  0.30702E-03 ppm1      2.048 ppm2      7.475 CV     1
 ASSI { 2480}
   (( segid "    " and resid 75   and name HB# ))
   (  segid "    " and resid 74   and name HB% )
      2.900     1.100     1.100 peak  2480 weight  0.10000E+01 volume  0.15871E-02 ppm1      1.988 ppm2      1.392 CV     1
 ASSI { 2481}
   (( segid "    " and resid 75   and name HB# ))
   (( segid "    " and resid 75   and name HG# ))
      1.800     0.400     0.400 peak  2481 weight  0.10000E+01 volume  0.26241E-01 ppm1      1.977 ppm2      2.212 CV     1
 ASSI { 2482}
   (( segid "    " and resid 75   and name HB# ))
   (( segid "    " and resid 75   and name HG# ))
      1.800     0.400     0.400 peak  2482 weight  0.10000E+01 volume  0.32862E-01 ppm1      2.041 ppm2      2.207 CV     1
 ASSI { 2486}
   (( segid "    " and resid 61   and name HB# ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.100     1.100 peak  2486 weight  0.10000E+01 volume  0.14489E-02 ppm1      2.107 ppm2      8.711 CV     1
 ASSI { 2487}
   (( segid "    " and resid 61   and name HB# ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     0.900     0.900 peak  2487 weight  0.10000E+01 volume  0.30049E-02 ppm1      2.094 ppm2      8.857 CV     1
 ASSI { 2488}
   (( segid "    " and resid 61   and name HB# ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  2488 weight  0.10000E+01 volume  0.22516E-02 ppm1      2.105 ppm2      8.110 CV     1
 ASSI { 2489}
   (( segid "    " and resid 61   and name HB# ))
   (( segid "    " and resid 64   and name HN  ))
      5.000     3.200     1.000 peak  2489 weight  0.10000E+01 volume  0.58017E-04 ppm1      2.556 ppm2      7.365 CV     1
 OR { 2489}
   (( segid "    " and resid 61   and name HB# ))
   (  segid "    " and resid 64   and name HD% )
 ASSI { 2493}
   (( segid "    " and resid 61   and name HB# ))
   (  segid "    " and resid 57   and name HD# )
      2.500     0.800     0.800 peak  2493 weight  0.10000E+01 volume  0.40011E-02 ppm1      2.105 ppm2      1.001 CV     1
 ASSI { 2496}
   (( segid "    " and resid 14   and name HB# ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  2496 weight  0.10000E+01 volume  0.18640E-02 ppm1      2.096 ppm2      7.115 CV     1
 ASSI { 2513}
   (( segid "    " and resid 93   and name HB# ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.800     0.800 peak  2513 weight  0.10000E+01 volume  0.32541E-02 ppm1      1.977 ppm2      9.463 CV     1
 ASSI { 2515}
   (( segid "    " and resid 93   and name HB# ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     0.900     0.900 peak  2515 weight  0.10000E+01 volume  0.24976E-02 ppm1      1.394 ppm2      9.472 CV     1
 ASSI { 2516}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 97   and name HN  ))
      3.800     1.800     1.800 peak  2516 weight  0.10000E+01 volume  0.29762E-03 ppm1      2.336 ppm2      9.018 CV     1
 ASSI { 2517}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 97   and name HN  ))
      4.700     2.700     1.300 peak  2517 weight  0.10000E+01 volume  0.90741E-04 ppm1      2.276 ppm2      9.019 CV     1
 ASSI { 2518}
   (( segid "    " and resid 98   and name HB# ))
   (  segid "    " and resid 97   and name HD% )
      3.800     1.800     1.800 peak  2518 weight  0.10000E+01 volume  0.33737E-03 ppm1      2.323 ppm2      6.957 CV     1
 ASSI { 2519}
   (( segid "    " and resid 98   and name HB# ))
   (  segid "    " and resid 97   and name HD% )
      3.600     1.600     1.600 peak  2519 weight  0.10000E+01 volume  0.42108E-03 ppm1      2.283 ppm2      6.954 CV     1
 ASSI { 2520}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 98   and name HG# ))
      2.200     0.600     0.600 peak  2520 weight  0.10000E+01 volume  0.85998E-02 ppm1      2.335 ppm2      2.587 CV     1
 ASSI { 2521}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 98   and name HG# ))
      2.300     0.700     0.700 peak  2521 weight  0.10000E+01 volume  0.67116E-02 ppm1      2.282 ppm2      2.586 CV     1
 ASSI { 2522}
   (( segid "    " and resid 69   and name HG# ))
   (  segid "    " and resid 66   and name HD# )
      4.100     2.100     1.900 peak  2522 weight  0.10000E+01 volume  0.20409E-03 ppm1      1.894 ppm2     -0.124 CV     1
 ASSI { 2524}
   (( segid "    " and resid 54   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      3.200     1.300     1.300 peak  2524 weight  0.10000E+01 volume  0.80811E-03 ppm1      2.239 ppm2      1.003 CV     1
 ASSI { 2525}
   (( segid "    " and resid 54   and name HG# ))
   (  segid "    " and resid 57   and name HD# )
      4.500     2.500     1.500 peak  2525 weight  0.10000E+01 volume  0.11614E-03 ppm1      2.244 ppm2      0.872 CV     1
 ASSI { 2530}
   (( segid "    " and resid 54   and name HG# ))
   (( segid "    " and resid 54   and name HD# ))
      3.100     1.200     1.200 peak  2530 weight  0.10000E+01 volume  0.97884E-03 ppm1      1.913 ppm2      3.560 CV     1
 ASSI { 2538}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.400     1.400 peak  2538 weight  0.10000E+01 volume  0.75153E-03 ppm1      1.634 ppm2      7.388 CV     1
 ASSI { 2545}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak  2545 weight  0.10000E+01 volume  0.63210E-03 ppm1      1.699 ppm2      7.377 CV     1
 ASSI { 2546}
   (( segid "    " and resid 24   and name HB# ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak  2546 weight  0.10000E+01 volume  0.35976E-02 ppm1      1.686 ppm2      7.768 CV     1
 ASSI { 2547}
   (( segid "    " and resid 95   and name HB# ))
   (  segid "    " and resid 96   and name HD# )
      3.400     1.500     1.500 peak  2547 weight  0.10000E+01 volume  0.57408E-03 ppm1      2.395 ppm2      0.927 CV     1
 ASSI { 2548}
   (( segid "    " and resid 95   and name HB# ))
   (  segid "    " and resid 96   and name HD# )
      3.800     1.800     1.800 peak  2548 weight  0.10000E+01 volume  0.33664E-03 ppm1      2.136 ppm2      0.909 CV     1
 ASSI { 2549}
   (( segid "    " and resid 95   and name HB# ))
   (  segid "    " and resid 92   and name HG# )
      4.200     2.200     1.800 peak  2549 weight  0.10000E+01 volume  0.17271E-03 ppm1      2.387 ppm2      1.239 CV     1
 ASSI { 2550}
   (( segid "    " and resid 95   and name HB# ))
   (  segid "    " and resid 92   and name HG# )
      4.300     2.300     1.700 peak  2550 weight  0.10000E+01 volume  0.14948E-03 ppm1      2.145 ppm2      1.238 CV     1
 ASSI { 2555}
   (( segid "    " and resid 39   and name HG# ))
   (  segid "    " and resid 119  and name HD# )
      3.900     1.900     1.900 peak  2555 weight  0.10000E+01 volume  0.28121E-03 ppm1      1.995 ppm2      0.785 CV     1
 ASSI { 2558}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 4    and name HB# ))
      2.700     0.900     0.900 peak  2558 weight  0.10000E+01 volume  0.25962E-02 ppm1      2.027 ppm2      1.668 CV     1
 ASSI { 2565}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 119  and name HA  ))
      3.100     1.200     1.200 peak  2565 weight  0.10000E+01 volume  0.10622E-02 ppm1      2.036 ppm2      4.074 CV     1
 ASSI { 2570}
   (( segid "    " and resid 39   and name HG# ))
   (  segid "    " and resid 117  and name HD% )
      4.600     2.600     1.400 peak  2570 weight  0.10000E+01 volume  0.10148E-03 ppm1      1.982 ppm2      6.627 CV     1
 ASSI { 2571}
   (( segid "    " and resid 39   and name HG# ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.500     1.500 peak  2571 weight  0.10000E+01 volume  0.60278E-03 ppm1      2.033 ppm2      8.430 CV     1
 ASSI { 2573}
   (( segid "    " and resid 12   and name HG# ))
   (( segid "    " and resid 15   and name HD# ))
      2.600     0.800     0.800 peak  2573 weight  0.10000E+01 volume  0.33571E-02 ppm1      2.169 ppm2      1.771 CV     1
 ASSI { 2575}
   (( segid "    " and resid 12   and name HG# ))
   (( segid "    " and resid 12   and name HD# ))
      2.100     0.600     0.600 peak  2575 weight  0.10000E+01 volume  0.10981E-01 ppm1      2.159 ppm2      3.718 CV     1
 ASSI { 2583}
   (( segid "    " and resid 88   and name HG# ))
   (( segid "    " and resid 88   and name HD# ))
      2.100     0.600     0.600 peak  2583 weight  0.10000E+01 volume  0.11046E-01 ppm1      2.190 ppm2      3.582 CV     1
 ASSI { 2584}
   (( segid "    " and resid 88   and name HG# ))
   (( segid "    " and resid 91   and name HN  ))
      2.800     1.000     1.000 peak  2584 weight  0.10000E+01 volume  0.20008E-02 ppm1      2.190 ppm2      7.285 CV     1
 ASSI { 2586}
   (( segid "    " and resid 12   and name HG# ))
   (( segid "    " and resid 14   and name HN  ))
      5.000     3.200     1.000 peak  2586 weight  0.10000E+01 volume  0.58946E-04 ppm1      2.177 ppm2      9.547 CV     1
 ASSI { 2588}
   (( segid "    " and resid 86   and name HG1#))
   (  segid "    " and resid 85   and name HG# )
      3.700     1.800     1.800 peak  2588 weight  0.10000E+01 volume  0.34603E-03 ppm1      1.537 ppm2      0.959 CV     1
 ASSI { 2591}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 86   and name HB  ))
      2.100     0.600     0.600 peak  2591 weight  0.10000E+01 volume  0.11172E-01 ppm1      1.535 ppm2      1.759 CV     1
 ASSI { 2593}
   (( segid "    " and resid 86   and name HG1#))
   (  segid "    " and resid 81   and name HE% )
      2.900     1.000     1.000 peak  2593 weight  0.10000E+01 volume  0.16092E-02 ppm1      1.538 ppm2      7.192 CV     1
 ASSI { 2596}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 87   and name HD# ))
      4.700     2.700     1.300 peak  2596 weight  0.10000E+01 volume  0.93426E-04 ppm1      1.555 ppm2      4.094 CV     1
 ASSI { 2597}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 30   and name HB# ))
      2.000     0.500     0.500 peak  2597 weight  0.10000E+01 volume  0.13488E-01 ppm1      1.439 ppm2      1.132 CV     1
 ASSI { 2606}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak  2606 weight  0.10000E+01 volume  0.18947E-02 ppm1      1.433 ppm2      7.801 CV     1
 ASSI { 2607}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak  2607 weight  0.10000E+01 volume  0.20758E-02 ppm1      1.306 ppm2      7.799 CV     1
 ASSI { 2609}
   (( segid "    " and resid 30   and name HG# ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.400     1.400 peak  2609 weight  0.10000E+01 volume  0.74339E-03 ppm1      1.433 ppm2      9.138 CV     1
 ASSI { 2610}
   (( segid "    " and resid 109  and name HG1#))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak  2610 weight  0.10000E+01 volume  0.59979E-03 ppm1      1.311 ppm2      9.111 CV     1
 ASSI { 2611}
   (( segid "    " and resid 42   and name HG# ))
   (( segid "    " and resid 42   and name HB# ))
      1.700     0.400     0.500 peak  2611 weight  0.10000E+01 volume  0.40883E-01 ppm1      1.691 ppm2      1.889 CV     1
 ASSI { 2618}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HN  ))
      3.000     1.100     1.100 peak  2618 weight  0.10000E+01 volume  0.13445E-02 ppm1      0.447 ppm2      6.961 CV     1
 ASSI { 2625}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 66   and name HB  ))
      2.600     0.800     0.800 peak  2625 weight  0.10000E+01 volume  0.33447E-02 ppm1      0.456 ppm2      1.773 CV     1
 ASSI { 2627}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HG  ))
      1.700     0.400     0.500 peak  2627 weight  0.10000E+01 volume  0.41146E-01 ppm1      0.451 ppm2      1.099 CV     1
 OR { 2627}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HB# ))
 ASSI { 2629}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 66   and name HG1#))
      4.700     2.700     1.300 peak  2629 weight  0.10000E+01 volume  0.89813E-04 ppm1      0.452 ppm2      0.683 CV     1
 ASSI { 2630}
   (  segid "    " and resid 78   and name HD# )
   (  segid "    " and resid 66   and name HG# )
      3.200     1.300     1.300 peak  2630 weight  0.10000E+01 volume  0.86995E-03 ppm1      0.452 ppm2      0.339 CV     1
 ASSI { 2639}
   (( segid "    " and resid 86   and name HG1#))
   (  segid "    " and resid 81   and name HE% )
      3.300     1.400     1.400 peak  2639 weight  0.10000E+01 volume  0.73068E-03 ppm1      0.793 ppm2      7.188 CV     1
 OR { 2639}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 81   and name HZ  ))
 ASSI { 2640}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 86   and name HN  ))
      3.200     1.200     1.200 peak  2640 weight  0.10000E+01 volume  0.95521E-03 ppm1      0.820 ppm2      8.496 CV     1
 ASSI { 2641}
   (( segid "    " and resid 109  and name HG1#))
   (( segid "    " and resid 110  and name HN  ))
      4.300     2.400     1.700 peak  2641 weight  0.10000E+01 volume  0.14256E-03 ppm1      0.812 ppm2      8.997 CV     1
 ASSI { 2646}
   (( segid "    " and resid 70   and name HG1#))
   (( segid "    " and resid 70   and name HB  ))
      2.100     0.600     0.600 peak  2646 weight  0.10000E+01 volume  0.11173E-01 ppm1      1.331 ppm2      1.734 CV     1
 ASSI { 2647}
   (( segid "    " and resid 43   and name HG1#))
   (( segid "    " and resid 43   and name HB  ))
      2.500     0.800     0.800 peak  2647 weight  0.10000E+01 volume  0.40621E-02 ppm1      1.436 ppm2      2.052 CV     1
 ASSI { 2651}
   (( segid "    " and resid 109  and name HG1#))
   (( segid "    " and resid 109  and name HN  ))
      2.900     1.000     1.000 peak  2651 weight  0.10000E+01 volume  0.16805E-02 ppm1      1.326 ppm2      9.371 CV     1
 ASSI { 2654}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 28   and name HD# ))
      2.300     0.700     0.700 peak  2654 weight  0.10000E+01 volume  0.66569E-02 ppm1      1.947 ppm2      3.621 CV     1
 ASSI { 2658}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.400     1.400 peak  2658 weight  0.10000E+01 volume  0.63282E-03 ppm1      1.946 ppm2      8.560 CV     1
 ASSI { 2659}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 29   and name HN  ))
      3.500     1.500     1.500 peak  2659 weight  0.10000E+01 volume  0.52629E-03 ppm1      1.898 ppm2      8.567 CV     1
 ASSI { 2660}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 27   and name HA  ))
      4.800     2.900     1.200 peak  2660 weight  0.10000E+01 volume  0.79283E-04 ppm1      1.898 ppm2      5.100 CV     1
 ASSI { 2662}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 25   and name HA  ))
      4.600     2.700     1.400 peak  2662 weight  0.10000E+01 volume  0.97243E-04 ppm1      1.897 ppm2      3.963 CV     1
 ASSI { 2663}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 25   and name HA  ))
      4.700     2.800     1.300 peak  2663 weight  0.10000E+01 volume  0.88161E-04 ppm1      1.957 ppm2      3.977 CV     1
 ASSI { 2666}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 66   and name HD# )
      3.500     1.600     1.600 peak  2666 weight  0.10000E+01 volume  0.48086E-03 ppm1      1.797 ppm2     -0.120 CV     1
 ASSI { 2672}
   (( segid "    " and resid 43   and name HG1#))
   (( segid "    " and resid 37   and name HA  ))
      3.800     1.800     1.800 peak  2672 weight  0.10000E+01 volume  0.33520E-03 ppm1      1.444 ppm2      3.054 CV     1
 ASSI { 2673}
   (( segid "    " and resid 73   and name HG# ))
   (( segid "    " and resid 76   and name HB# ))
      4.300     2.400     1.700 peak  2673 weight  0.10000E+01 volume  0.14287E-03 ppm1      1.781 ppm2      2.732 CV     1
 ASSI { 2676}
   (( segid "    " and resid 73   and name HG# ))
   (( segid "    " and resid 73   and name HB# ))
      2.200     0.600     0.600 peak  2676 weight  0.10000E+01 volume  0.87056E-02 ppm1      1.773 ppm2      2.103 CV     1
 ASSI { 2677}
   (( segid "    " and resid 43   and name HG1#))
   (  segid "    " and resid 43   and name HD# )
      2.200     0.600     0.600 peak  2677 weight  0.10000E+01 volume  0.94188E-02 ppm1      1.768 ppm2      1.126 CV     1
 ASSI { 2681}
   (( segid "    " and resid 70   and name HG1#))
   (( segid "    " and resid 72   and name HN  ))
      5.300     3.500     0.700 peak  2681 weight  0.10000E+01 volume  0.42326E-04 ppm1      0.944 ppm2      7.796 CV     1
 ASSI { 2690}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak  2690 weight  0.10000E+01 volume  0.44370E-03 ppm1      1.862 ppm2      7.434 CV     1
 ASSI { 2691}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 96   and name HA  ))
      2.700     0.900     0.900 peak  2691 weight  0.10000E+01 volume  0.92899E-02 ppm1      1.831 ppm2      4.251 CV     1
 ASSI { 2692}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 96   and name HB# ))
      2.000     0.500     0.500 peak  2692 weight  0.10000E+01 volume  0.13531E-01 ppm1      1.834 ppm2      1.620 CV     1
 ASSI { 2694}
   (( segid "    " and resid 17   and name HG# ))
   (( segid "    " and resid 18   and name HN  ))
      3.000     1.100     1.100 peak  2694 weight  0.10000E+01 volume  0.14091E-02 ppm1      1.811 ppm2      7.592 CV     1
 ASSI { 2704}
   (( segid "    " and resid 17   and name HG# ))
   (( segid "    " and resid 17   and name HB# ))
      2.300     0.600     0.600 peak  2704 weight  0.10000E+01 volume  0.73293E-02 ppm1      1.820 ppm2      1.472 CV     1
 ASSI { 2705}
   (( segid "    " and resid 46   and name HG  ))
   (  segid "    " and resid 111  and name HE% )
      3.900     1.900     1.900 peak  2705 weight  0.10000E+01 volume  0.28782E-03 ppm1      1.857 ppm2      6.650 CV     1
 ASSI { 2706}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  2706 weight  0.10000E+01 volume  0.19065E-02 ppm1      1.863 ppm2      8.116 CV     1
 ASSI { 2707}
   (( segid "    " and resid 107  and name HG  ))
   (  segid "    " and resid 109  and name HD# )
      2.500     0.800     0.800 peak  2707 weight  0.10000E+01 volume  0.93346E-02 ppm1      0.758 ppm2      0.317 CV     1
 ASSI { 2713}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 93   and name HA  ))
      3.500     1.500     1.500 peak  2713 weight  0.10000E+01 volume  0.51059E-03 ppm1      0.757 ppm2      4.334 CV     1
 ASSI { 2714}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 33   and name HA  ))
      4.100     2.100     1.900 peak  2714 weight  0.10000E+01 volume  0.19676E-03 ppm1      0.754 ppm2      5.110 CV     1
 ASSI { 2718}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 97   and name HN  ))
      2.900     1.000     1.000 peak  2718 weight  0.10000E+01 volume  0.16314E-02 ppm1      0.759 ppm2      9.018 CV     1
 ASSI { 2721}
   (( segid "    " and resid 89   and name HB  ))
   (( segid "    " and resid 59   and name HB  ))
      3.300     1.300     1.300 peak  2721 weight  0.10000E+01 volume  0.78757E-03 ppm1      4.250 ppm2      2.405 CV     1
 ASSI { 2722}
   (( segid "    " and resid 89   and name HB  ))
   (( segid "    " and resid 89   and name HA  ))
      2.200     0.600     0.600 peak  2722 weight  0.10000E+01 volume  0.95942E-02 ppm1      4.252 ppm2      3.888 CV     1
 ASSI { 2727}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 62   and name HB# ))
      2.400     0.700     0.700 peak  2727 weight  0.10000E+01 volume  0.50857E-02 ppm1      0.897 ppm2      3.266 CV     1
 ASSI { 2731}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak  2731 weight  0.10000E+01 volume  0.20562E-02 ppm1      0.896 ppm2      4.468 CV     1
 ASSI { 2732}
   (  segid "    " and resid 57   and name HD# )
   (  segid "    " and resid 62   and name HE% )
      4.300     2.400     1.700 peak  2732 weight  0.10000E+01 volume  0.14194E-03 ppm1      0.894 ppm2      6.524 CV     1
 ASSI { 2738}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 93   and name HN  ))
      4.600     2.600     1.400 peak  2738 weight  0.10000E+01 volume  0.10375E-03 ppm1      0.899 ppm2      9.339 CV     1
 ASSI { 2739}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 73   and name HN  ))
      3.200     1.300     1.300 peak  2739 weight  0.10000E+01 volume  0.93229E-03 ppm1      0.849 ppm2      9.126 CV     1
 ASSI { 2740}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 67   and name HN  ))
      3.800     1.800     1.800 peak  2740 weight  0.10000E+01 volume  0.30898E-03 ppm1      0.851 ppm2      8.525 CV     1
 ASSI { 2741}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 44   and name HN  ))
      4.700     2.800     1.300 peak  2741 weight  0.10000E+01 volume  0.85168E-04 ppm1      0.850 ppm2      8.298 CV     1
 ASSI { 2743}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 78   and name HN  ))
      4.800     2.800     1.200 peak  2743 weight  0.10000E+01 volume  0.80625E-04 ppm1      0.847 ppm2      6.951 CV     1
 ASSI { 2745}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 77   and name HA  ))
      4.300     2.300     1.700 peak  2745 weight  0.10000E+01 volume  0.15114E-03 ppm1      0.854 ppm2      4.035 CV     1
 ASSI { 2747}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HG  ))
      1.800     0.400     0.400 peak  2747 weight  0.10000E+01 volume  0.26964E-01 ppm1      0.848 ppm2      1.700 CV     1
 OR { 2747}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HB# ))
 ASSI { 2750}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 72   and name HB# ))
      2.600     0.900     0.900 peak  2750 weight  0.10000E+01 volume  0.29994E-02 ppm1      1.704 ppm2      1.365 CV     1
 ASSI { 2752}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 72   and name HA  ))
      4.100     2.100     1.900 peak  2752 weight  0.10000E+01 volume  0.20450E-03 ppm1      1.703 ppm2      4.475 CV     1
 ASSI { 2753}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 72   and name HN  ))
      3.300     1.400     1.400 peak  2753 weight  0.10000E+01 volume  0.70901E-03 ppm1      1.716 ppm2      7.809 CV     1
 ASSI { 2754}
   (( segid "    " and resid 72   and name HG  ))
   (( segid "    " and resid 73   and name HN  ))
      4.700     2.800     1.300 peak  2754 weight  0.10000E+01 volume  0.88987E-04 ppm1      1.701 ppm2      9.118 CV     1
 ASSI { 2755}
   (( segid "    " and resid 57   and name HG  ))
   (  segid "    " and resid 57   and name HD# )
      1.800     0.400     0.400 peak  2755 weight  0.10000E+01 volume  0.29950E-01 ppm1      2.033 ppm2      0.895 CV     1
 ASSI { 2759}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 62   and name HB# ))
      3.700     1.700     1.700 peak  2759 weight  0.10000E+01 volume  0.36895E-03 ppm1      2.042 ppm2      3.136 CV     1
 ASSI { 2763}
   (( segid "    " and resid 72   and name HG  ))
   (  segid "    " and resid 70   and name HD# )
      3.100     1.200     1.200 peak  2763 weight  0.10000E+01 volume  0.11102E-02 ppm1      1.706 ppm2      0.459 CV     1
 ASSI { 2770}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 101  and name HN  ))
      2.900     1.100     1.100 peak  2770 weight  0.10000E+01 volume  0.15745E-02 ppm1      2.264 ppm2      8.434 CV     1
 ASSI { 2771}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 101  and name HN  ))
      2.600     0.800     0.800 peak  2771 weight  0.10000E+01 volume  0.33579E-02 ppm1      2.077 ppm2      8.426 CV     1
 ASSI { 2772}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 102  and name HN  ))
      3.000     1.100     1.100 peak  2772 weight  0.10000E+01 volume  0.13205E-02 ppm1      2.080 ppm2      8.822 CV     1
 ASSI { 2773}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 102  and name HN  ))
      3.000     1.100     1.100 peak  2773 weight  0.10000E+01 volume  0.12330E-02 ppm1      2.266 ppm2      8.818 CV     1
 ASSI { 2774}
   (( segid "    " and resid 87   and name HG# ))
   (  segid "    " and resid 59   and name HG# )
      2.200     0.600     0.600 peak  2774 weight  0.10000E+01 volume  0.73469E-02 ppm1      2.136 ppm2      0.877 CV     1
 ASSI { 2779}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 80   and name HB# ))
      3.800     1.800     1.800 peak  2779 weight  0.10000E+01 volume  0.32302E-03 ppm1      2.141 ppm2      2.817 CV     1
 ASSI { 2786}
   (( segid "    " and resid 46   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak  2786 weight  0.10000E+01 volume  0.57356E-03 ppm1      1.855 ppm2      4.420 CV     1
 ASSI { 2790}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 52   and name HD# )
      3.300     1.400     1.400 peak  2790 weight  0.10000E+01 volume  0.70271E-03 ppm1      2.530 ppm2      0.434 CV     1
 ASSI { 2791}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 52   and name HD# )
      3.800     1.800     1.800 peak  2791 weight  0.10000E+01 volume  0.32002E-03 ppm1      1.431 ppm2      0.478 CV     1
 ASSI { 2794}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 32   and name HB# ))
      2.100     0.600     0.600 peak  2794 weight  0.10000E+01 volume  0.10797E-01 ppm1      1.433 ppm2      1.593 CV     1
 ASSI { 2803}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 97   and name HE% )
      3.900     1.900     1.900 peak  2803 weight  0.10000E+01 volume  0.25715E-03 ppm1      1.429 ppm2      6.739 CV     1
 ASSI { 2804}
   (( segid "    " and resid 66   and name HG1#))
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak  2804 weight  0.10000E+01 volume  0.37319E-03 ppm1      0.416 ppm2      8.549 CV     1
 ASSI { 2809}
   (( segid "    " and resid 66   and name HG1#))
   (  segid "    " and resid 80   and name HE% )
      3.900     1.900     1.900 peak  2809 weight  0.10000E+01 volume  0.28833E-03 ppm1      0.691 ppm2      6.654 CV     1
 ASSI { 2810}
   (( segid "    " and resid 66   and name HG1#))
   (  segid "    " and resid 80   and name HE% )
      2.500     0.800     0.800 peak  2810 weight  0.10000E+01 volume  0.36506E-02 ppm1      0.438 ppm2      6.652 CV     1
 ASSI { 2823}
   (( segid "    " and resid 24   and name HG# ))
   (( segid "    " and resid 32   and name HG# ))
      4.400     2.400     1.600 peak  2823 weight  0.10000E+01 volume  0.13988E-03 ppm1      1.608 ppm2      2.520 CV     1
 ASSI { 2827}
   (( segid "    " and resid 24   and name HG# ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak  2827 weight  0.10000E+01 volume  0.46393E-03 ppm1      1.611 ppm2      7.379 CV     1
 ASSI { 2835}
   (( segid "    " and resid 71   and name HB# ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     0.900     0.900 peak  2835 weight  0.10000E+01 volume  0.25551E-02 ppm1      3.286 ppm2      7.498 CV     1
 ASSI { 2837}
   (( segid "    " and resid 71   and name HB# ))
   (( segid "    " and resid 72   and name HN  ))
      4.800     2.800     1.200 peak  2837 weight  0.10000E+01 volume  0.81864E-04 ppm1      3.476 ppm2      7.797 CV     1
 ASSI { 2838}
   (( segid "    " and resid 71   and name HB# ))
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  2838 weight  0.10000E+01 volume  0.20553E-03 ppm1      3.277 ppm2      7.805 CV     1
 ASSI { 2842}
   (  segid "    " and resid 46   and name HD# )
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.300     1.300 peak  2842 weight  0.10000E+01 volume  0.80067E-03 ppm1      0.893 ppm2      7.495 CV     1
 ASSI { 2843}
   (  segid "    " and resid 46   and name HD# )
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak  2843 weight  0.10000E+01 volume  0.50337E-03 ppm1      0.889 ppm2      8.117 CV     1
 ASSI { 2846}
   (  segid "    " and resid 46   and name HD# )
   (( segid "    " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak  2846 weight  0.10000E+01 volume  0.21679E-03 ppm1      0.975 ppm2      9.118 CV     1
 ASSI { 2848}
   (  segid "    " and resid 46   and name HD# )
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.100     1.100 peak  2848 weight  0.10000E+01 volume  0.13793E-02 ppm1      0.975 ppm2      7.472 CV     1
 ASSI { 2861}
   (( segid "    " and resid 34   and name HG1#))
   (( segid "    " and resid 106  and name HB# ))
      3.600     1.600     1.600 peak  2861 weight  0.10000E+01 volume  0.43430E-03 ppm1      0.556 ppm2      2.015 CV     1
 ASSI { 2876}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 66   and name HN  ))
      4.100     2.100     1.900 peak  2876 weight  0.10000E+01 volume  0.20801E-03 ppm1      1.016 ppm2      7.812 CV     1
 ASSI { 2878}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.600     1.600 peak  2878 weight  0.10000E+01 volume  0.49273E-03 ppm1      1.367 ppm2      7.436 CV     1
 ASSI { 2879}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HE# ))
      2.700     0.900     0.900 peak  2879 weight  0.10000E+01 volume  0.23670E-02 ppm1      1.356 ppm2      2.941 CV     1
 ASSI { 2883}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HB# ))
      2.400     0.700     0.700 peak  2883 weight  0.10000E+01 volume  0.52208E-02 ppm1      1.357 ppm2      1.907 CV     1
 ASSI { 2886}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 19   and name HA  ))
      4.200     2.200     1.800 peak  2886 weight  0.10000E+01 volume  0.17673E-03 ppm1      1.658 ppm2      4.117 CV     1
 ASSI { 2887}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak  2887 weight  0.10000E+01 volume  0.28677E-02 ppm1      1.661 ppm2      7.454 CV     1
 OR { 2887}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 2888}
   (( segid "    " and resid 22   and name HG# ))
   (( segid "    " and resid 23   and name HN  ))
      4.600     2.700     1.400 peak  2888 weight  0.10000E+01 volume  0.95799E-04 ppm1      1.661 ppm2      8.303 CV     1
 ASSI { 2904}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 119  and name HN  ))
      3.800     1.800     1.800 peak  2904 weight  0.10000E+01 volume  0.33808E-03 ppm1      0.823 ppm2      7.399 CV     1
 ASSI { 2905}
   (( segid "    " and resid 49   and name HG# ))
   (  segid "    " and resid 34   and name HG# )
      4.200     2.200     1.800 peak  2905 weight  0.10000E+01 volume  0.16568E-03 ppm1      1.718 ppm2      0.649 CV     1
 ASSI { 2906}
   (( segid "    " and resid 49   and name HG# ))
   (  segid "    " and resid 34   and name HG# )
      3.900     1.900     1.900 peak  2906 weight  0.10000E+01 volume  0.25943E-03 ppm1      1.591 ppm2      0.655 CV     1
 ASSI { 2907}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 15   and name HD# ))
      1.700     0.400     0.500 peak  2907 weight  0.10000E+01 volume  0.37458E-01 ppm1      1.590 ppm2      1.758 CV     1
 ASSI { 2914}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 15   and name HB# ))
      2.600     0.900     0.900 peak  2914 weight  0.10000E+01 volume  0.29553E-02 ppm1      1.501 ppm2      2.010 CV     1
 ASSI { 2917}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 12   and name HD# ))
      3.900     1.900     1.900 peak  2917 weight  0.10000E+01 volume  0.26098E-03 ppm1      1.593 ppm2      3.720 CV     1
 ASSI { 2918}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 12   and name HD# ))
      3.700     1.700     1.700 peak  2918 weight  0.10000E+01 volume  0.37226E-03 ppm1      1.506 ppm2      3.708 CV     1
 ASSI { 2921}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.200     1.200 peak  2921 weight  0.10000E+01 volume  0.95923E-03 ppm1      1.590 ppm2      6.983 CV     1
 ASSI { 2923}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.500     1.500 peak  2923 weight  0.10000E+01 volume  0.11841E-03 ppm1      1.594 ppm2      7.101 CV     1
 ASSI { 2925}
   (  segid "    " and resid 59   and name HG# )
   (  segid "    " and resid 91   and name HB% )
      2.100     0.500     0.500 peak  2925 weight  0.10000E+01 volume  0.12310E-01 ppm1      0.958 ppm2      1.497 CV     1
 ASSI { 2928}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 52   and name HB# ))
      2.000     0.500     0.500 peak  2928 weight  0.10000E+01 volume  0.16779E-01 ppm1      0.440 ppm2      1.308 CV     1
 ASSI { 2932}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 87   and name HB# ))
      2.500     0.800     0.800 peak  2932 weight  0.10000E+01 volume  0.35748E-02 ppm1      0.959 ppm2      2.160 CV     1
 ASSI { 2944}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 92   and name HN  ))
      4.100     2.100     1.900 peak  2944 weight  0.10000E+01 volume  0.18789E-03 ppm1      0.958 ppm2      8.169 CV     1
 ASSI { 2947}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak  2947 weight  0.10000E+01 volume  0.83340E-03 ppm1      0.441 ppm2      8.400 CV     1
 ASSI { 2948}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak  2948 weight  0.10000E+01 volume  0.42780E-03 ppm1      0.442 ppm2      8.595 CV     1
 ASSI { 2950}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 31   and name HN  ))
      5.300     3.500     0.700 peak  2950 weight  0.10000E+01 volume  0.42532E-04 ppm1      0.438 ppm2      9.128 CV     1
 ASSI { 2951}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 60   and name HN  ))
      2.800     0.900     0.900 peak  2951 weight  0.10000E+01 volume  0.21934E-02 ppm1      0.960 ppm2      8.917 CV     1
 ASSI { 2952}
   (  segid "    " and resid 59   and name HG# )
   (( segid "    " and resid 93   and name HN  ))
      3.400     1.400     1.400 peak  2952 weight  0.10000E+01 volume  0.62549E-03 ppm1      0.959 ppm2      9.340 CV     1
 ASSI { 2956}
   (( segid "    " and resid 26   and name HG# ))
   (  segid "    " and resid 27   and name HD% )
      4.200     2.200     1.800 peak  2956 weight  0.10000E+01 volume  0.18220E-03 ppm1      0.942 ppm2      7.162 CV     1
 ASSI { 2966}
   (( segid "    " and resid 26   and name HG# ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.700     1.400 peak  2966 weight  0.10000E+01 volume  0.95799E-04 ppm1      0.536 ppm2      8.034 CV     1
 ASSI { 2968}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HG  ))
      1.800     0.400     0.400 peak  2968 weight  0.10000E+01 volume  0.28934E-01 ppm1      0.821 ppm2      1.114 CV     1
 OR { 2968}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 78   and name HB# ))
 ASSI { 2969}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 107  and name HB# ))
      2.100     0.600     0.600 peak  2969 weight  0.10000E+01 volume  0.10471E-01 ppm1      0.881 ppm2      1.392 CV     1
 ASSI { 2974}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 107  and name HN  ))
      4.200     2.200     1.800 peak  2974 weight  0.10000E+01 volume  0.17467E-03 ppm1      0.888 ppm2      7.885 CV     1
 ASSI { 2975}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 100  and name HN  ))
      3.000     1.100     1.100 peak  2975 weight  0.10000E+01 volume  0.13075E-02 ppm1      0.881 ppm2      8.143 CV     1
 ASSI { 2976}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 101  and name HN  ))
      2.900     1.100     1.100 peak  2976 weight  0.10000E+01 volume  0.15584E-02 ppm1      0.883 ppm2      8.424 CV     1
 ASSI { 2977}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak  2977 weight  0.10000E+01 volume  0.39466E-03 ppm1      0.822 ppm2      8.514 CV     1
 ASSI { 2978}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 97   and name HN  ))
      3.400     1.400     1.400 peak  2978 weight  0.10000E+01 volume  0.64387E-03 ppm1      0.879 ppm2      9.005 CV     1
 ASSI { 2979}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 109  and name HN  ))
      4.200     2.200     1.800 peak  2979 weight  0.10000E+01 volume  0.17602E-03 ppm1      0.877 ppm2      9.375 CV     1
 ASSI { 2983}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 69   and name HN  ))
      3.700     1.700     1.700 peak  2983 weight  0.10000E+01 volume  0.38836E-03 ppm1      1.297 ppm2      7.527 CV     1
 ASSI { 2984}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 69   and name HN  ))
      3.300     1.400     1.400 peak  2984 weight  0.10000E+01 volume  0.69259E-03 ppm1      1.370 ppm2      7.523 CV     1
 ASSI { 2986}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 67   and name HD# ))
      4.700     2.800     1.300 peak  2986 weight  0.10000E+01 volume  0.83412E-04 ppm1      1.302 ppm2      2.830 CV     1
 ASSI { 2988}
   (( segid "    " and resid 68   and name HG# ))
   (( segid "    " and resid 68   and name HB# ))
      2.600     0.800     0.800 peak  2988 weight  0.10000E+01 volume  0.31003E-02 ppm1      1.305 ppm2      1.754 CV     1
 ASSI { 3005}
   (( segid "    " and resid 4    and name HG# ))
   (( segid "    " and resid 5    and name HN  ))
      4.400     2.400     1.600 peak  3005 weight  0.10000E+01 volume  0.13296E-03 ppm1      1.409 ppm2      8.605 CV     1
 ASSI { 3009}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak  3009 weight  0.10000E+01 volume  0.12702E-02 ppm1      3.712 ppm2      7.627 CV     1
 ASSI { 3013}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  3013 weight  0.10000E+01 volume  0.10387E-02 ppm1      0.902 ppm2      8.400 CV     1
 ASSI { 3015}
   (( segid "    " and resid 48   and name HG# ))
   (( segid "    " and resid 50   and name HN  ))
      3.400     1.400     1.400 peak  3015 weight  0.10000E+01 volume  0.63602E-03 ppm1      0.714 ppm2      6.984 CV     1
 ASSI { 3017}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 88   and name HD# ))
      3.800     1.800     1.800 peak  3017 weight  0.10000E+01 volume  0.31796E-03 ppm1      0.906 ppm2      3.580 CV     1
 ASSI { 3029}
   (( segid "    " and resid 50   and name HG# ))
   (( segid "    " and resid 50   and name HB# ))
      2.500     0.800     0.800 peak  3029 weight  0.10000E+01 volume  0.43549E-02 ppm1      1.012 ppm2      1.624 CV     1
 ASSI { 3030}
   (( segid "    " and resid 50   and name HG# ))
   (( segid "    " and resid 50   and name HB# ))
      2.300     0.600     0.600 peak  3030 weight  0.10000E+01 volume  0.72420E-02 ppm1      1.196 ppm2      1.627 CV     1
 ASSI { 3038}
   (( segid "    " and resid 50   and name HG# ))
   (( segid "    " and resid 50   and name HN  ))
      3.900     1.900     1.900 peak  3038 weight  0.10000E+01 volume  0.27264E-03 ppm1      1.197 ppm2      6.978 CV     1
 ASSI { 3044}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak  3044 weight  0.10000E+01 volume  0.13141E-02 ppm1      0.491 ppm2      9.139 CV     1
 ASSI { 3046}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 27   and name HN  ))
      5.000     3.100     1.000 peak  3046 weight  0.10000E+01 volume  0.62868E-04 ppm1      0.492 ppm2      8.049 CV     1
 ASSI { 3048}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak  3048 weight  0.10000E+01 volume  0.27419E-03 ppm1      0.491 ppm2      8.594 CV     1
 ASSI { 3051}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak  3051 weight  0.10000E+01 volume  0.17539E-03 ppm1      0.493 ppm2      4.163 CV     1
 ASSI { 3052}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 32   and name HD# ))
      3.400     1.400     1.400 peak  3052 weight  0.10000E+01 volume  0.66823E-03 ppm1      0.494 ppm2      3.350 CV     1
 ASSI { 3055}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 32   and name HG# ))
      3.400     1.500     1.500 peak  3055 weight  0.10000E+01 volume  0.58471E-03 ppm1      0.500 ppm2      2.495 CV     1
 ASSI { 3059}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 52   and name HB# ))
      2.000     0.500     0.500 peak  3059 weight  0.10000E+01 volume  0.14937E-01 ppm1      0.492 ppm2      1.306 CV     1
 ASSI { 3060}
   (  segid "    " and resid 52   and name HD# )
   (( segid "    " and resid 32   and name HB# ))
      2.700     0.900     0.900 peak  3060 weight  0.10000E+01 volume  0.22869E-02 ppm1      0.492 ppm2      1.578 CV     1
 ASSI { 3067}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HG  ))
      2.300     0.700     0.700 peak  3067 weight  0.10000E+01 volume  0.64122E-02 ppm1      0.847 ppm2      1.806 CV     1
 OR { 3067}
   (  segid "    " and resid 65   and name HD# )
   (( segid "    " and resid 65   and name HB# ))
 ASSI { 3070}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 4    and name HB# ))
      3.700     1.700     1.700 peak  3070 weight  0.10000E+01 volume  0.36091E-03 ppm1      0.791 ppm2      1.676 CV     1
 ASSI { 3073}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 39   and name HG# ))
      4.400     2.500     1.600 peak  3073 weight  0.10000E+01 volume  0.12274E-03 ppm1      0.792 ppm2      1.982 CV     1
 ASSI { 3074}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 39   and name HG# ))
      3.300     1.400     1.400 peak  3074 weight  0.10000E+01 volume  0.68691E-03 ppm1      0.791 ppm2      2.042 CV     1
 ASSI { 3075}
   (  segid "    " and resid 119  and name HD# )
   (  segid "    " and resid 117  and name HD% )
      3.300     1.400     1.400 peak  3075 weight  0.10000E+01 volume  0.67452E-03 ppm1      0.790 ppm2      6.602 CV     1
 OR { 3075}
   (  segid "    " and resid 119  and name HD# )
   (  segid "    " and resid 117  and name HE% )
 ASSI { 3076}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 119  and name HN  ))
      4.000     2.000     2.000 peak  3076 weight  0.10000E+01 volume  0.22711E-03 ppm1      0.794 ppm2      7.394 CV     1
 ASSI { 3077}
   (  segid "    " and resid 119  and name HD# )
   (( segid "    " and resid 4    and name HN  ))
      5.400     3.600     0.600 peak  3077 weight  0.10000E+01 volume  0.39023E-04 ppm1      0.791 ppm2      8.066 CV     1
 ASSI { 3078}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak  3078 weight  0.10000E+01 volume  0.26479E-03 ppm1      0.898 ppm2      8.499 CV     1
 ASSI { 3079}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 44   and name HN  ))
      3.700     1.700     1.700 peak  3079 weight  0.10000E+01 volume  0.36441E-03 ppm1      0.894 ppm2      8.294 CV     1
 ASSI { 3082}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 67   and name HA  ))
      3.800     1.800     1.800 peak  3082 weight  0.10000E+01 volume  0.29618E-03 ppm1      0.895 ppm2      3.393 CV     1
 ASSI { 3084}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HG  ))
      2.000     0.500     0.500 peak  3084 weight  0.10000E+01 volume  0.14402E-01 ppm1      0.895 ppm2      1.701 CV     1
 ASSI { 3085}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 72   and name HB# ))
      1.900     0.500     0.500 peak  3085 weight  0.10000E+01 volume  0.17389E-01 ppm1      0.895 ppm2      1.387 CV     1
 ASSI { 3095}
   (( segid "    " and resid 37   and name HG# ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  3095 weight  0.10000E+01 volume  0.19394E-02 ppm1      1.665 ppm2      8.883 CV     1
 ASSI { 3096}
   (( segid "    " and resid 37   and name HG# ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.000     1.000 peak  3096 weight  0.10000E+01 volume  0.17479E-02 ppm1      0.855 ppm2      8.885 CV     1
 ASSI { 3103}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 39   and name HD# ))
      4.700     2.700     1.300 peak  3103 weight  0.10000E+01 volume  0.89503E-04 ppm1      1.560 ppm2      3.863 CV     1
 ASSI { 3106}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      4.700     2.700     1.300 peak  3106 weight  0.10000E+01 volume  0.90433E-04 ppm1      1.559 ppm2      8.192 CV     1
 ASSI { 3107}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak  3107 weight  0.10000E+01 volume  0.10688E-02 ppm1      1.559 ppm2      8.695 CV     1
 ASSI { 3108}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.500     1.500 peak  3108 weight  0.10000E+01 volume  0.58099E-03 ppm1      1.560 ppm2      8.889 CV     1
 ASSI { 3109}
   (  segid "    " and resid 110  and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      3.400     1.500     1.500 peak  3109 weight  0.10000E+01 volume  0.57459E-03 ppm1      1.563 ppm2      9.340 CV     1
 ASSI { 3112}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 112  and name HN  ))
      3.200     1.200     1.200 peak  3112 weight  0.10000E+01 volume  0.96698E-03 ppm1      3.919 ppm2      9.282 CV     1
 ASSI { 3113}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 113  and name HN  ))
      3.500     1.500     1.500 peak  3113 weight  0.10000E+01 volume  0.53165E-03 ppm1      4.267 ppm2      9.437 CV     1
 ASSI { 3121}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 112  and name HG  ))
      3.000     1.100     1.100 peak  3121 weight  0.10000E+01 volume  0.12693E-02 ppm1      3.921 ppm2      6.529 CV     1
 ASSI { 3122}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 112  and name HG  ))
      3.700     1.700     1.700 peak  3122 weight  0.10000E+01 volume  0.39311E-03 ppm1      4.274 ppm2      6.522 CV     1
 ASSI { 3125}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 79   and name HB# ))
      3.300     1.400     1.400 peak  3125 weight  0.10000E+01 volume  0.71282E-03 ppm1      4.258 ppm2      2.555 CV     1
 ASSI { 3126}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 114  and name HG# ))
      3.400     1.400     1.400 peak  3126 weight  0.10000E+01 volume  0.62373E-03 ppm1      4.262 ppm2      2.317 CV     1
 ASSI { 3130}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 37   and name HG# ))
      3.800     1.800     1.800 peak  3130 weight  0.10000E+01 volume  0.30516E-03 ppm1      3.918 ppm2      0.848 CV     1
 ASSI { 3133}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 59   and name HA  ))
      4.100     2.100     1.900 peak  3133 weight  0.10000E+01 volume  0.19666E-03 ppm1      1.381 ppm2      3.668 CV     1
 ASSI { 3135}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 90   and name HN  ))
      3.800     1.800     1.800 peak  3135 weight  0.10000E+01 volume  0.31424E-03 ppm1      1.375 ppm2      7.782 CV     1
 ASSI { 3136}
   (  segid "    " and resid 89   and name HG# )
   (( segid "    " and resid 61   and name HN  ))
      4.700     2.700     1.300 peak  3136 weight  0.10000E+01 volume  0.93013E-04 ppm1      1.378 ppm2      8.110 CV     1
 ASSI { 3140}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 37   and name HE# ))
      4.000     2.000     2.000 peak  3140 weight  0.10000E+01 volume  0.24497E-03 ppm1      4.237 ppm2      3.010 CV     1
 ASSI { 3141}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HD# ))
      3.700     1.700     1.700 peak  3141 weight  0.10000E+01 volume  0.37546E-03 ppm1      4.229 ppm2      3.334 CV     1
 ASSI { 3143}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.000     1.100     1.100 peak  3143 weight  0.10000E+01 volume  0.14137E-02 ppm1      3.883 ppm2      9.110 CV     1
 ASSI { 3144}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      4.300     2.300     1.700 peak  3144 weight  0.10000E+01 volume  0.14680E-03 ppm1      3.879 ppm2      7.773 CV     1
 ASSI { 3145}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      3.500     1.600     1.600 peak  3145 weight  0.10000E+01 volume  0.49748E-03 ppm1      3.879 ppm2      7.283 CV     1
 ASSI { 3150}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.600     1.600 peak  3150 weight  0.10000E+01 volume  0.48819E-03 ppm1      3.770 ppm2      8.025 CV     1
 ASSI { 3156}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 111  and name HB# ))
      3.600     1.600     1.600 peak  3156 weight  0.10000E+01 volume  0.41923E-03 ppm1      0.898 ppm2      3.269 CV     1
 ASSI { 3160}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 111  and name HN  ))
      3.300     1.400     1.400 peak  3160 weight  0.10000E+01 volume  0.71778E-03 ppm1      0.897 ppm2      8.520 CV     1
 ASSI { 3161}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak  3161 weight  0.10000E+01 volume  0.27099E-03 ppm1      0.904 ppm2      8.836 CV     1
 ASSI { 3163}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 109  and name HN  ))
      3.200     1.300     1.300 peak  3163 weight  0.10000E+01 volume  0.86323E-03 ppm1      0.900 ppm2      9.368 CV     1
 ASSI { 3165}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak  3165 weight  0.10000E+01 volume  0.13587E-02 ppm1      4.449 ppm2      4.027 CV     1
 ASSI { 3174}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 66   and name HG1#))
      1.900     0.400     0.400 peak  3174 weight  0.10000E+01 volume  0.23013E-01 ppm1      0.826 ppm2      0.673 CV     1
 ASSI { 3181}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak  3181 weight  0.10000E+01 volume  0.13283E-02 ppm1      0.826 ppm2      8.711 CV     1
 ASSI { 3193}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 51   and name HB# ))
      3.100     1.200     1.200 peak  3193 weight  0.10000E+01 volume  0.10051E-02 ppm1      0.589 ppm2      2.644 CV     1
 ASSI { 3198}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 51   and name HD% )
      3.200     1.200     1.200 peak  3198 weight  0.10000E+01 volume  0.95409E-03 ppm1      0.588 ppm2      7.057 CV     1
 ASSI { 3200}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.200     1.200 peak  3200 weight  0.10000E+01 volume  0.97310E-03 ppm1      0.591 ppm2      8.408 CV     1
 ASSI { 3201}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak  3201 weight  0.10000E+01 volume  0.22990E-03 ppm1      0.594 ppm2      8.621 CV     1
 ASSI { 3215}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.000     1.000 peak  3215 weight  0.10000E+01 volume  0.17352E-02 ppm1      0.640 ppm2      9.500 CV     1
 ASSI { 3219}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 107  and name HN  ))
      5.600     3.900     0.400 peak  3219 weight  0.10000E+01 volume  0.30557E-04 ppm1      0.646 ppm2      7.923 CV     1
 ASSI { 3225}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 51   and name HB# ))
      3.000     1.100     1.100 peak  3225 weight  0.10000E+01 volume  0.13446E-02 ppm1      0.640 ppm2      2.643 CV     1
 ASSI { 3230}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 109  and name HG1#))
      2.400     0.700     0.700 peak  3230 weight  0.10000E+01 volume  0.49458E-02 ppm1      0.641 ppm2      1.337 CV     1
 ASSI { 3236}
   (  segid "    " and resid 33   and name HG# )
   (  segid "    " and resid 66   and name HD# )
      4.100     2.100     1.900 peak  3236 weight  0.10000E+01 volume  0.20316E-03 ppm1      0.642 ppm2     -0.145 CV     1
 ASSI { 3248}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 61   and name HB# ))
      2.800     1.000     1.000 peak  3248 weight  0.10000E+01 volume  0.18064E-02 ppm1      1.272 ppm2      2.518 CV     1
 ASSI { 3251}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 61   and name HE21))
      4.600     2.700     1.400 peak  3251 weight  0.10000E+01 volume  0.94664E-04 ppm1      1.268 ppm2      6.871 CV     1
 ASSI { 3252}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 61   and name HN  ))
      3.100     1.200     1.200 peak  3252 weight  0.10000E+01 volume  0.11506E-02 ppm1      1.270 ppm2      8.126 CV     1
 ASSI { 3254}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.200     1.200 peak  3254 weight  0.10000E+01 volume  0.12051E-02 ppm1      1.270 ppm2      8.923 CV     1
 ASSI { 3255}
   (  segid "    " and resid 58   and name HG# )
   (( segid "    " and resid 93   and name HN  ))
      3.200     1.300     1.300 peak  3255 weight  0.10000E+01 volume  0.83485E-03 ppm1      1.271 ppm2      9.340 CV     1
 ASSI { 3261}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 94   and name HN  ))
      2.800     0.900     0.900 peak  3261 weight  0.10000E+01 volume  0.21885E-02 ppm1      1.226 ppm2      9.461 CV     1
 ASSI { 3262}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 59   and name HN  ))
      3.400     1.400     1.400 peak  3262 weight  0.10000E+01 volume  0.65708E-03 ppm1      1.227 ppm2      9.094 CV     1
 ASSI { 3263}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 58   and name HN  ))
      3.400     1.400     1.400 peak  3263 weight  0.10000E+01 volume  0.64283E-03 ppm1      1.228 ppm2      8.722 CV     1
 ASSI { 3264}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 95   and name HN  ))
      3.400     1.400     1.400 peak  3264 weight  0.10000E+01 volume  0.65274E-03 ppm1      1.223 ppm2      7.999 CV     1
 ASSI { 3265}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 57   and name HN  ))
      3.700     1.700     1.700 peak  3265 weight  0.10000E+01 volume  0.38289E-03 ppm1      1.229 ppm2      7.453 CV     1
 ASSI { 3273}
   (  segid "    " and resid 31   and name HG# )
   (  segid "    " and resid 93   and name HE% )
      3.000     1.100     1.100 peak  3273 weight  0.10000E+01 volume  0.13527E-02 ppm1      0.380 ppm2      0.983 CV     1
 ASSI { 3274}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 93   and name HB# ))
      3.000     1.100     1.100 peak  3274 weight  0.10000E+01 volume  0.13435E-02 ppm1      0.383 ppm2      1.981 CV     1
 ASSI { 3276}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 97   and name HA  ))
      3.700     1.700     1.700 peak  3276 weight  0.10000E+01 volume  0.38702E-03 ppm1      0.382 ppm2      3.848 CV     1
 ASSI { 3280}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak  3280 weight  0.10000E+01 volume  0.24156E-02 ppm1      0.377 ppm2      9.130 CV     1
 ASSI { 3281}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 94   and name HN  ))
      4.000     2.000     2.000 peak  3281 weight  0.10000E+01 volume  0.23599E-03 ppm1      0.387 ppm2      9.475 CV     1
 ASSI { 3283}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 109  and name HG1#))
      3.100     1.200     1.200 peak  3283 weight  0.10000E+01 volume  0.11737E-02 ppm1      0.834 ppm2      1.341 CV     1
 ASSI { 3286}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 80   and name HB# ))
      3.200     1.300     1.300 peak  3286 weight  0.10000E+01 volume  0.87387E-03 ppm1      0.834 ppm2      2.931 CV     1
 ASSI { 3294}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 110  and name HN  ))
      3.000     1.100     1.100 peak  3294 weight  0.10000E+01 volume  0.13392E-02 ppm1      0.834 ppm2      9.015 CV     1
 ASSI { 3299}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG# ))
      3.000     1.100     1.100 peak  3299 weight  0.10000E+01 volume  0.12508E-02 ppm1      4.498 ppm2      2.239 CV     1
 ASSI { 3301}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 30   and name HG# ))
      2.900     1.100     1.100 peak  3301 weight  0.10000E+01 volume  0.15678E-02 ppm1      4.495 ppm2      1.290 CV     1
 ASSI { 3302}
   (( segid "    " and resid 90   and name HB# ))
   (( segid "    " and resid 88   and name HB# ))
      4.200     2.200     1.800 peak  3302 weight  0.10000E+01 volume  0.17901E-03 ppm1      4.114 ppm2      2.443 CV     1
 ASSI { 3303}
   (( segid "    " and resid 90   and name HB# ))
   (  segid "    " and resid 91   and name HB% )
      4.500     2.500     1.500 peak  3303 weight  0.10000E+01 volume  0.11480E-03 ppm1      4.115 ppm2      1.502 CV     1
 ASSI { 3320}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 100  and name HE# ))
      4.100     2.100     1.900 peak  3320 weight  0.10000E+01 volume  0.19450E-03 ppm1      0.974 ppm2      7.776 CV     1
 ASSI { 3322}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak  3322 weight  0.10000E+01 volume  0.35636E-03 ppm1      1.006 ppm2      7.615 CV     1
 ASSI { 3324}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.600     0.900     0.900 peak  3324 weight  0.10000E+01 volume  0.28879E-02 ppm1      3.861 ppm2      8.414 CV     1
 ASSI { 3326}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB# ))
      2.500     0.800     0.800 peak  3326 weight  0.10000E+01 volume  0.37566E-02 ppm1      3.858 ppm2      3.304 CV     1
 ASSI { 3327}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB# ))
      2.400     0.700     0.700 peak  3327 weight  0.10000E+01 volume  0.55036E-02 ppm1      3.861 ppm2      3.046 CV     1
 ASSI { 3328}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HB# ))
      3.600     1.600     1.600 peak  3328 weight  0.10000E+01 volume  0.43120E-03 ppm1      3.854 ppm2      1.636 CV     1
 ASSI { 3329}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 107  and name HB# ))
      2.900     1.100     1.100 peak  3329 weight  0.10000E+01 volume  0.15687E-02 ppm1      3.856 ppm2      2.075 CV     1
 ASSI { 3332}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 31   and name HG# )
      3.100     1.200     1.200 peak  3332 weight  0.10000E+01 volume  0.10086E-02 ppm1      3.857 ppm2      0.390 CV     1
 ASSI { 3333}
   (( segid "    " and resid 18   and name HB# ))
   (( segid "    " and resid 18   and name HA  ))
      1.900     0.400     0.400 peak  3333 weight  0.10000E+01 volume  0.23305E-01 ppm1      4.050 ppm2      4.258 CV     1
 ASSI { 3334}
   (( segid "    " and resid 18   and name HB# ))
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak  3334 weight  0.10000E+01 volume  0.13608E-01 ppm1      4.008 ppm2      4.261 CV     1
 ASSI { 3335}
   (( segid "    " and resid 18   and name HB# ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak  3335 weight  0.10000E+01 volume  0.12305E-02 ppm1      4.047 ppm2      7.785 CV     1
 ASSI { 3336}
   (( segid "    " and resid 18   and name HB# ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak  3336 weight  0.10000E+01 volume  0.84280E-03 ppm1      4.008 ppm2      7.783 CV     1
 ASSI { 3339}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak  3339 weight  0.10000E+01 volume  0.30898E-03 ppm1      3.972 ppm2      9.350 CV     1
 ASSI { 3340}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak  3340 weight  0.10000E+01 volume  0.70550E-03 ppm1      3.968 ppm2      9.589 CV     1
 ASSI { 3341}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.700     2.800     1.300 peak  3341 weight  0.10000E+01 volume  0.86613E-04 ppm1      3.968 ppm2      8.047 CV     1
 ASSI { 3346}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB# ))
      3.300     1.400     1.400 peak  3346 weight  0.10000E+01 volume  0.68392E-03 ppm1      3.970 ppm2      2.063 CV     1
 ASSI { 3347}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HD# ))
      2.500     0.800     0.800 peak  3347 weight  0.10000E+01 volume  0.37963E-02 ppm1      3.970 ppm2      2.140 CV     1
 ASSI { 3351}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 29   and name HB# ))
      3.500     1.500     1.500 peak  3351 weight  0.10000E+01 volume  0.51916E-03 ppm1      3.652 ppm2      2.856 CV     1
 ASSI { 3352}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 29   and name HB# ))
      3.800     1.800     1.800 peak  3352 weight  0.10000E+01 volume  0.33045E-03 ppm1      3.729 ppm2      2.849 CV     1
 ASSI { 3353}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 94   and name HA# ))
      2.900     1.000     1.000 peak  3353 weight  0.10000E+01 volume  0.16171E-02 ppm1      3.655 ppm2      4.022 CV     1
 ASSI { 3354}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 94   and name HA# ))
      2.500     0.800     0.800 peak  3354 weight  0.10000E+01 volume  0.36345E-02 ppm1      3.728 ppm2      4.027 CV     1
 ASSI { 3355}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 95   and name HN  ))
      4.800     2.900     1.200 peak  3355 weight  0.10000E+01 volume  0.80212E-04 ppm1      3.735 ppm2      7.970 CV     1
 ASSI { 3356}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 95   and name HN  ))
      3.700     1.700     1.700 peak  3356 weight  0.10000E+01 volume  0.36100E-03 ppm1      3.662 ppm2      7.970 CV     1
 ASSI { 3357}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.000     1.000 peak  3357 weight  0.10000E+01 volume  0.17916E-02 ppm1      3.658 ppm2      9.457 CV     1
 ASSI { 3358}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 94   and name HN  ))
      3.000     1.100     1.100 peak  3358 weight  0.10000E+01 volume  0.13279E-02 ppm1      3.730 ppm2      9.467 CV     1
 ASSI { 3359}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 119  and name HB# ))
      3.500     1.500     1.500 peak  3359 weight  0.10000E+01 volume  0.54290E-03 ppm1      0.753 ppm2      1.454 CV     1
 ASSI { 3362}
   (  segid "    " and resid 116  and name HG# )
   (  segid "    " and resid 117  and name HD% )
      4.300     2.300     1.700 peak  3362 weight  0.10000E+01 volume  0.15051E-03 ppm1      0.757 ppm2      6.600 CV     1
 ASSI { 3364}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 119  and name HN  ))
      4.000     2.000     2.000 peak  3364 weight  0.10000E+01 volume  0.24425E-03 ppm1      0.753 ppm2      7.397 CV     1
 ASSI { 3370}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 113  and name HB# ))
      3.800     1.800     1.800 peak  3370 weight  0.10000E+01 volume  0.33633E-03 ppm1      1.602 ppm2      2.692 CV     1
 ASSI { 3372}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 76   and name HB# ))
      3.500     1.600     1.600 peak  3372 weight  0.10000E+01 volume  0.47931E-03 ppm1      1.434 ppm2      2.863 CV     1
 ASSI { 3378}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 112  and name HG  ))
      3.400     1.500     1.500 peak  3378 weight  0.10000E+01 volume  0.60319E-03 ppm1      1.602 ppm2      6.527 CV     1
 ASSI { 3379}
   (  segid "    " and resid 41   and name HB% )
   (  segid "    " and resid 111  and name HE% )
      3.100     1.100     1.100 peak  3379 weight  0.10000E+01 volume  0.18210E-02 ppm1      1.603 ppm2      6.661 CV     1
 ASSI { 3383}
   (  segid "    " and resid 41   and name HB% )
   (( segid "    " and resid 114  and name HN  ))
      3.100     1.200     1.200 peak  3383 weight  0.10000E+01 volume  0.98621E-03 ppm1      1.605 ppm2      8.491 CV     1
 ASSI { 3386}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 83   and name HD22))
      2.900     1.100     1.100 peak  3386 weight  0.10000E+01 volume  0.15493E-02 ppm1      0.644 ppm2      9.015 CV     1
 ASSI { 3387}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 108  and name HN  ))
      3.600     1.700     1.700 peak  3387 weight  0.10000E+01 volume  0.40323E-03 ppm1      0.645 ppm2      8.856 CV     1
 ASSI { 3391}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 81   and name HA  ))
      4.300     2.300     1.700 peak  3391 weight  0.10000E+01 volume  0.14629E-03 ppm1      0.642 ppm2      5.076 CV     1
 ASSI { 3392}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 83   and name HA  ))
      3.700     1.700     1.700 peak  3392 weight  0.10000E+01 volume  0.38609E-03 ppm1      0.641 ppm2      4.324 CV     1
 ASSI { 3393}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 87   and name HD# ))
      3.700     1.700     1.700 peak  3393 weight  0.10000E+01 volume  0.39827E-03 ppm1      0.647 ppm2      4.079 CV     1
 ASSI { 3397}
   (  segid "    " and resid 82   and name HG# )
   (( segid "    " and resid 109  and name HG1#))
      3.800     1.800     1.800 peak  3397 weight  0.10000E+01 volume  0.30928E-03 ppm1      0.647 ppm2      1.351 CV     1
 ASSI { 3398}
   (  segid "    " and resid 82   and name HG# )
   (  segid "    " and resid 107  and name HD# )
      1.700     0.400     0.500 peak  3398 weight  0.10000E+01 volume  0.41813E-01 ppm1      0.643 ppm2      0.867 CV     1
 ASSI { 3400}
   (( segid "    " and resid 115  and name HB# ))
   (  segid "    " and resid 79   and name HE% )
      2.800     1.000     1.000 peak  3400 weight  0.10000E+01 volume  0.20156E-02 ppm1      3.490 ppm2      7.224 CV     1
 ASSI { 3407}
   (( segid "    " and resid 115  and name HB# ))
   (( segid "    " and resid 86   and name HB  ))
      3.800     1.800     1.800 peak  3407 weight  0.10000E+01 volume  0.31878E-03 ppm1      2.470 ppm2      1.744 CV     1
 ASSI { 3408}
   (( segid "    " and resid 115  and name HB# ))
   (  segid "    " and resid 86   and name HG# )
      3.700     1.700     1.700 peak  3408 weight  0.10000E+01 volume  0.34758E-03 ppm1      3.498 ppm2      1.171 CV     1
 ASSI { 3411}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD% )
      2.400     0.700     0.700 peak  3411 weight  0.10000E+01 volume  0.45383E-02 ppm1      4.363 ppm2      7.078 CV     1
 ASSI { 3422}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 93   and name HG# ))
      2.600     0.800     0.800 peak  3422 weight  0.10000E+01 volume  0.34559E-02 ppm1      0.566 ppm2      2.186 CV     1
 ASSI { 3423}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 93   and name HG# ))
      2.900     1.000     1.000 peak  3423 weight  0.10000E+01 volume  0.17671E-02 ppm1      0.566 ppm2      2.377 CV     1
 ASSI { 3425}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 54   and name HD# ))
      3.300     1.300     1.300 peak  3425 weight  0.10000E+01 volume  0.79789E-03 ppm1      0.567 ppm2      3.997 CV     1
 ASSI { 3433}
   (  segid "    " and resid 53   and name HG# )
   (( segid "    " and resid 52   and name HN  ))
      5.100     3.300     0.900 peak  3433 weight  0.10000E+01 volume  0.51720E-04 ppm1      0.569 ppm2      8.623 CV     1
 ASSI { 3439}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 81   and name HZ  ))
      5.000     3.200     1.000 peak  3439 weight  0.10000E+01 volume  0.58637E-04 ppm1      0.759 ppm2      7.191 CV     1
 OR { 3439}
   (  segid "    " and resid 116  and name HG# )
   (  segid "    " and resid 81   and name HE% )
 ASSI { 3440}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 115  and name HN  ))
      3.600     1.700     1.700 peak  3440 weight  0.10000E+01 volume  0.41035E-03 ppm1      0.756 ppm2      7.985 CV     1
 ASSI { 3441}
   (  segid "    " and resid 116  and name HG# )
   (( segid "    " and resid 117  and name HN  ))
      3.200     1.300     1.300 peak  3441 weight  0.10000E+01 volume  0.94944E-03 ppm1      0.755 ppm2      8.227 CV     1
 ASSI { 3445}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 82   and name HN  ))
      3.100     1.200     1.200 peak  3445 weight  0.10000E+01 volume  0.99204E-03 ppm1      0.979 ppm2      9.345 CV     1
 ASSI { 3448}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG# ))
      3.200     1.200     1.200 peak  3448 weight  0.10000E+01 volume  0.95222E-03 ppm1      4.033 ppm2      1.169 CV     1
 ASSI { 3450}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD# ))
      2.500     0.800     0.800 peak  3450 weight  0.10000E+01 volume  0.39102E-02 ppm1      4.031 ppm2      2.802 CV     1
 ASSI { 3453}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 63   and name HD% )
      3.700     1.700     1.700 peak  3453 weight  0.10000E+01 volume  0.39456E-03 ppm1      4.028 ppm2      6.302 CV     1
 ASSI { 3457}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 78   and name HD# )
      3.300     1.400     1.400 peak  3457 weight  0.10000E+01 volume  0.75298E-03 ppm1      3.939 ppm2      0.820 CV     1
 ASSI { 3458}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 78   and name HG  ))
      4.000     2.000     2.000 peak  3458 weight  0.10000E+01 volume  0.22184E-03 ppm1      3.946 ppm2      1.085 CV     1
 OR { 3458}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 78   and name HB# ))
 ASSI { 3464}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.300     1.400     1.400 peak  3464 weight  0.10000E+01 volume  0.69775E-03 ppm1      3.946 ppm2      7.366 CV     1
 ASSI { 3465}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      3.300     1.300     1.300 peak  3465 weight  0.10000E+01 volume  0.76237E-03 ppm1      3.946 ppm2      6.871 CV     1
 ASSI { 3466}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      4.400     2.400     1.600 peak  3466 weight  0.10000E+01 volume  0.12966E-03 ppm1      3.942 ppm2      7.583 CV     1
 ASSI { 3467}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  3467 weight  0.10000E+01 volume  0.84785E-03 ppm1      3.943 ppm2      7.823 CV     1
 ASSI { 3468}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      4.200     2.200     1.800 peak  3468 weight  0.10000E+01 volume  0.18406E-03 ppm1      3.940 ppm2      8.533 CV     1
 ASSI { 3469}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak  3469 weight  0.10000E+01 volume  0.17735E-03 ppm1      3.950 ppm2      8.866 CV     1
 ASSI { 3471}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak  3471 weight  0.10000E+01 volume  0.87572E-03 ppm1      4.266 ppm2      7.769 CV     1
 ASSI { 3472}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak  3472 weight  0.10000E+01 volume  0.93447E-03 ppm1      4.273 ppm2      8.667 CV     1
 ASSI { 3473}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.400     1.400     1.400 peak  3473 weight  0.10000E+01 volume  0.64221E-03 ppm1      3.431 ppm2      8.528 CV     1
 ASSI { 3474}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  3474 weight  0.10000E+01 volume  0.24549E-03 ppm1      3.432 ppm2      7.353 CV     1
 ASSI { 3475}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      3.300     1.400     1.400 peak  3475 weight  0.10000E+01 volume  0.67504E-03 ppm1      3.429 ppm2      3.958 CV     1
 ASSI { 3476}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HD# )
      2.700     0.900     0.900 peak  3476 weight  0.10000E+01 volume  0.22247E-02 ppm1      3.429 ppm2      0.862 CV     1
 ASSI { 3477}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG1#))
      2.700     0.900     0.900 peak  3477 weight  0.10000E+01 volume  0.22060E-02 ppm1      3.433 ppm2      0.697 CV     1
 ASSI { 3486}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB# ))
      2.100     0.600     0.600 peak  3486 weight  0.10000E+01 volume  0.98793E-02 ppm1      4.464 ppm2      3.269 CV     1
 ASSI { 3488}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     1.500     1.500 peak  3488 weight  0.10000E+01 volume  0.53712E-03 ppm1      4.467 ppm2      9.115 CV     1
 ASSI { 3498}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      5.000     3.200     1.000 peak  3498 weight  0.10000E+01 volume  0.59359E-04 ppm1      3.706 ppm2      9.127 CV     1
 ASSI { 3500}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 94   and name HA# ))
      2.800     1.000     1.000 peak  3500 weight  0.10000E+01 volume  0.20534E-02 ppm1      3.699 ppm2      4.025 CV     1
 ASSI { 3501}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 93   and name HG# ))
      3.400     1.400     1.400 peak  3501 weight  0.10000E+01 volume  0.67308E-03 ppm1      3.700 ppm2      2.384 CV     1
 ASSI { 3510}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  3510 weight  0.10000E+01 volume  0.99501E-03 ppm1      1.508 ppm2      8.405 CV     1
 ASSI { 3511}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 95   and name HN  ))
      3.600     1.600     1.600 peak  3511 weight  0.10000E+01 volume  0.41953E-03 ppm1      1.510 ppm2      8.003 CV     1
 ASSI { 3512}
   (  segid "    " and resid 91   and name HB% )
   (( segid "    " and resid 90   and name HN  ))
      3.500     1.500     1.500 peak  3512 weight  0.10000E+01 volume  0.53381E-03 ppm1      1.507 ppm2      7.777 CV     1
 ASSI { 3516}
   (  segid "    " and resid 91   and name HB% )
   (  segid "    " and resid 96   and name HD# )
      1.900     0.400     0.400 peak  3516 weight  0.10000E+01 volume  0.23389E-01 ppm1      1.507 ppm2      0.934 CV     1
 ASSI { 3518}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 33   and name HB  ))
      3.800     1.800     1.800 peak  3518 weight  0.10000E+01 volume  0.30279E-03 ppm1      0.409 ppm2      1.760 CV     1
 ASSI { 3520}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 93   and name HG# ))
      3.300     1.300     1.300 peak  3520 weight  0.10000E+01 volume  0.77404E-03 ppm1      0.410 ppm2      2.169 CV     1
 ASSI { 3523}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 94   and name HA# ))
      2.900     1.100     1.100 peak  3523 weight  0.10000E+01 volume  0.14561E-02 ppm1      0.411 ppm2      4.023 CV     1
 ASSI { 3527}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak  3527 weight  0.10000E+01 volume  0.31878E-03 ppm1      0.408 ppm2      8.894 CV     1
 ASSI { 3529}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 93   and name HN  ))
      4.300     2.300     1.700 peak  3529 weight  0.10000E+01 volume  0.16053E-03 ppm1      0.412 ppm2      9.349 CV     1
 ASSI { 3531}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD# ))
      3.000     1.100     1.100 peak  3531 weight  0.10000E+01 volume  0.12558E-02 ppm1      3.395 ppm2      2.804 CV     1
 ASSI { 3536}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 33   and name HN  ))
      4.400     2.400     1.600 peak  3536 weight  0.10000E+01 volume  0.13451E-03 ppm1      0.864 ppm2      8.909 CV     1
 ASSI { 3537}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak  3537 weight  0.10000E+01 volume  0.61847E-03 ppm1      0.874 ppm2      8.041 CV     1
 ASSI { 3538}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak  3538 weight  0.10000E+01 volume  0.33726E-03 ppm1      0.874 ppm2      7.406 CV     1
 ASSI { 3543}
   (  segid "    " and resid 23   and name HG# )
   (( segid "    " and resid 20   and name HA# ))
      3.300     1.400     1.400 peak  3543 weight  0.10000E+01 volume  0.72305E-03 ppm1      0.871 ppm2      3.087 CV     1
 ASSI { 3550}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 113  and name HN  ))
      3.200     1.300     1.300 peak  3550 weight  0.10000E+01 volume  0.81038E-03 ppm1      1.106 ppm2      9.432 CV     1
 ASSI { 3552}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 114  and name HN  ))
      4.000     2.000     2.000 peak  3552 weight  0.10000E+01 volume  0.21824E-03 ppm1      1.110 ppm2      8.516 CV     1
 ASSI { 3553}
   (  segid "    " and resid 74   and name HB% )
   (( segid "    " and resid 76   and name HN  ))
      3.500     1.500     1.500 peak  3553 weight  0.10000E+01 volume  0.56117E-03 ppm1      1.396 ppm2      7.472 CV     1
 ASSI { 3563}
   (  segid "    " and resid 70   and name HG# )
   (( segid "    " and resid 46   and name HN  ))
      4.100     2.100     1.900 peak  3563 weight  0.10000E+01 volume  0.19646E-03 ppm1      0.741 ppm2      8.120 CV     1
 ASSI { 3564}
   (  segid "    " and resid 70   and name HG# )
   (( segid "    " and resid 72   and name HN  ))
      3.800     1.800     1.800 peak  3564 weight  0.10000E+01 volume  0.30041E-03 ppm1      0.744 ppm2      7.799 CV     1
 ASSI { 3571}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 72   and name HD# )
      3.300     1.400     1.400 peak  3571 weight  0.10000E+01 volume  0.70013E-03 ppm1      4.445 ppm2      0.878 CV     1
 ASSI { 3573}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG1#))
      3.000     1.100     1.100 peak  3573 weight  0.10000E+01 volume  0.14263E-02 ppm1      4.450 ppm2      1.449 CV     1
 ASSI { 3580}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak  3580 weight  0.10000E+01 volume  0.86096E-03 ppm1      3.767 ppm2      7.137 CV     1
 ASSI { 3582}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG# ))
      2.500     0.800     0.800 peak  3582 weight  0.10000E+01 volume  0.35301E-02 ppm1      3.764 ppm2      2.460 CV     1
 ASSI { 3592}
   (  segid "    " and resid 38   and name HB% )
   (  segid "    " and resid 81   and name HD% )
      3.200     1.300     1.300 peak  3592 weight  0.10000E+01 volume  0.82999E-03 ppm1      1.205 ppm2      6.931 CV     1
 ASSI { 3594}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.000     1.000 peak  3594 weight  0.10000E+01 volume  0.17116E-02 ppm1      3.885 ppm2      8.300 CV     1
 ASSI { 3595}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  3595 weight  0.10000E+01 volume  0.12954E-02 ppm1      3.886 ppm2      7.756 CV     1
 ASSI { 3596}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     2.000     2.000 peak  3596 weight  0.10000E+01 volume  0.21658E-03 ppm1      3.881 ppm2      3.181 CV     1
 ASSI { 3598}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HG# ))
      4.200     2.200     1.800 peak  3598 weight  0.10000E+01 volume  0.18448E-03 ppm1      4.114 ppm2      1.364 CV     1
 ASSI { 3601}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG# ))
      2.100     0.500     0.500 peak  3601 weight  0.10000E+01 volume  0.11889E-01 ppm1      4.115 ppm2      2.469 CV     1
 ASSI { 3603}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 106  and name HZ  ))
      3.900     1.900     1.900 peak  3603 weight  0.10000E+01 volume  0.28637E-03 ppm1      4.119 ppm2      6.944 CV     1
 ASSI { 3604}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.100     1.100 peak  3604 weight  0.10000E+01 volume  0.15115E-02 ppm1      4.115 ppm2      7.460 CV     1
 ASSI { 3606}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak  3606 weight  0.10000E+01 volume  0.81120E-03 ppm1      4.115 ppm2      9.510 CV     1
 ASSI { 3607}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HA# ))
      3.500     1.500     1.500 peak  3607 weight  0.10000E+01 volume  0.54652E-03 ppm1      3.181 ppm2      4.070 CV     1
 ASSI { 3609}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak  3609 weight  0.10000E+01 volume  0.29802E-02 ppm1      3.184 ppm2      7.383 CV     1
 OR { 3609}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 3611}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.700     1.700     1.700 peak  3611 weight  0.10000E+01 volume  0.38733E-03 ppm1      3.184 ppm2      8.303 CV     1
 ASSI { 3616}
   (  segid "    " and resid 66   and name HG# )
   (  segid "    " and resid 63   and name HD% )
      4.500     2.600     1.500 peak  3616 weight  0.10000E+01 volume  0.10922E-03 ppm1      0.361 ppm2      6.286 CV     1
 ASSI { 3618}
   (  segid "    " and resid 66   and name HG# )
   (( segid "    " and resid 69   and name HD# ))
      3.200     1.300     1.300 peak  3618 weight  0.10000E+01 volume  0.81493E-03 ppm1      0.362 ppm2      3.291 CV     1
 ASSI { 3620}
   (  segid "    " and resid 66   and name HG# )
   (( segid "    " and resid 70   and name HG1#))
      3.300     1.400     1.400 peak  3620 weight  0.10000E+01 volume  0.74886E-03 ppm1      0.363 ppm2      1.337 CV     1
 ASSI { 3623}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 109  and name HN  ))
      4.200     2.200     1.800 peak  3623 weight  0.10000E+01 volume  0.16858E-03 ppm1      0.650 ppm2      9.389 CV     1
 ASSI { 3624}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak  3624 weight  0.10000E+01 volume  0.21621E-02 ppm1      0.659 ppm2      8.773 CV     1
 ASSI { 3625}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.800     1.800 peak  3625 weight  0.10000E+01 volume  0.34501E-03 ppm1      1.627 ppm2      9.354 CV     1
 ASSI { 3627}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 36   and name HN  ))
      3.500     1.500     1.500 peak  3627 weight  0.10000E+01 volume  0.50884E-03 ppm1      1.628 ppm2      8.697 CV     1
 ASSI { 3628}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 111  and name HN  ))
      3.800     1.800     1.800 peak  3628 weight  0.10000E+01 volume  0.33448E-03 ppm1      1.630 ppm2      8.503 CV     1
 ASSI { 3629}
   (  segid "    " and resid 34   and name HG# )
   (  segid "    " and resid 5    and name HE% )
      4.000     2.000     2.000 peak  3629 weight  0.10000E+01 volume  0.23062E-03 ppm1      0.661 ppm2      7.407 CV     1
 ASSI { 3630}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak  3630 weight  0.10000E+01 volume  0.48666E-02 ppm1      0.659 ppm2      6.914 CV     1
 ASSI { 3633}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 35   and name HA  ))
      4.500     2.500     1.500 peak  3633 weight  0.10000E+01 volume  0.11273E-03 ppm1      0.654 ppm2      5.718 CV     1
 ASSI { 3636}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 39   and name HD# ))
      3.500     1.500     1.500 peak  3636 weight  0.10000E+01 volume  0.52866E-03 ppm1      1.627 ppm2      3.845 CV     1
 ASSI { 3641}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 49   and name HD# ))
      2.600     0.800     0.800 peak  3641 weight  0.10000E+01 volume  0.30608E-02 ppm1      0.652 ppm2      2.009 CV     1
 ASSI { 3648}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.300     1.300     1.300 peak  3648 weight  0.10000E+01 volume  0.79169E-03 ppm1      4.066 ppm2      7.397 CV     1
 ASSI { 3650}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 97   and name HB# ))
      4.000     2.000     2.000 peak  3650 weight  0.10000E+01 volume  0.22061E-03 ppm1      4.065 ppm2      3.285 CV     1
 ASSI { 3655}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.900     1.900     1.900 peak  3655 weight  0.10000E+01 volume  0.25458E-03 ppm1      4.153 ppm2      7.406 CV     1
 ASSI { 3658}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HG# ))
      2.000     0.500     0.500 peak  3658 weight  0.10000E+01 volume  0.25671E-01 ppm1      4.155 ppm2      2.477 CV     1
 ASSI { 3659}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 96   and name HD# )
      3.600     1.600     1.600 peak  3659 weight  0.10000E+01 volume  0.43079E-03 ppm1      4.156 ppm2      0.910 CV     1
 ASSI { 3663}
   (( segid "    " and resid 117  and name HA  ))
   (  segid "    " and resid 81   and name HE% )
      3.900     1.900     1.900 peak  3663 weight  0.10000E+01 volume  0.27160E-03 ppm1      3.720 ppm2      7.178 CV     1
 OR { 3663}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 81   and name HZ  ))
 ASSI { 3664}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      4.000     2.000     2.000 peak  3664 weight  0.10000E+01 volume  0.23341E-03 ppm1      3.721 ppm2      7.404 CV     1
 ASSI { 3665}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 13   and name HE% )
      4.700     2.700     1.300 peak  3665 weight  0.10000E+01 volume  0.91051E-04 ppm1      4.097 ppm2      7.131 CV     1
 ASSI { 3668}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 36   and name HN  ))
      3.900     1.900     1.900 peak  3668 weight  0.10000E+01 volume  0.25581E-03 ppm1      0.470 ppm2      8.688 CV     1
 ASSI { 3669}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 111  and name HN  ))
      3.400     1.400     1.400 peak  3669 weight  0.10000E+01 volume  0.66472E-03 ppm1      0.473 ppm2      8.507 CV     1
 ASSI { 3670}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.000     2.000 peak  3670 weight  0.10000E+01 volume  0.23166E-03 ppm1      0.474 ppm2      7.870 CV     1
 ASSI { 3671}
   (  segid "    " and resid 109  and name HG# )
   (  segid "    " and resid 5    and name HE% )
      4.100     2.100     1.900 peak  3671 weight  0.10000E+01 volume  0.19687E-03 ppm1      0.468 ppm2      7.421 CV     1
 ASSI { 3674}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak  3674 weight  0.10000E+01 volume  0.50305E-03 ppm1      0.474 ppm2      5.730 CV     1
 ASSI { 3676}
   (  segid "    " and resid 109  and name HG# )
   (( segid "    " and resid 111  and name HB# ))
      4.500     2.500     1.500 peak  3676 weight  0.10000E+01 volume  0.11758E-03 ppm1      0.473 ppm2      3.286 CV     1
 ASSI { 3681}
   (  segid "    " and resid 109  and name HG# )
   (  segid "    " and resid 109  and name HD# )
      1.900     0.400     0.400 peak  3681 weight  0.10000E+01 volume  0.21502E-01 ppm1      0.470 ppm2      0.321 CV     1
 ASSI { 3684}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 87   and name HG# ))
      3.200     1.300     1.300 peak  3684 weight  0.10000E+01 volume  0.88708E-03 ppm1      1.162 ppm2      2.154 CV     1
 ASSI { 3685}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 79   and name HB# ))
      3.100     1.200     1.200 peak  3685 weight  0.10000E+01 volume  0.10341E-02 ppm1      1.164 ppm2      2.588 CV     1
 ASSI { 3686}
   (  segid "    " and resid 86   and name HG# )
   (( segid "    " and resid 80   and name HB# ))
      3.900     1.900     1.900 peak  3686 weight  0.10000E+01 volume  0.25726E-03 ppm1      1.160 ppm2      2.806 CV     1
 ASSI { 3693}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 57   and name HD# )
      3.300     1.400     1.400 peak  3693 weight  0.10000E+01 volume  0.68484E-03 ppm1      4.276 ppm2      1.005 CV     1
 ASSI { 3698}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak  3698 weight  0.10000E+01 volume  0.23376E-02 ppm1      4.199 ppm2      7.105 CV     1
 ASSI { 3700}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HG1#))
      4.300     2.300     1.700 peak  3700 weight  0.10000E+01 volume  0.14577E-03 ppm1      3.939 ppm2      0.705 CV     1
 ASSI { 3708}
   (( segid "    " and resid 115  and name HA  ))
   (  segid "    " and resid 86   and name HG# )
      4.400     2.500     1.600 peak  3708 weight  0.10000E+01 volume  0.12398E-03 ppm1      3.397 ppm2      1.166 CV     1
 ASSI { 3710}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 98   and name HB# ))
      3.700     1.700     1.700 peak  3710 weight  0.10000E+01 volume  0.39559E-03 ppm1      4.004 ppm2      2.283 CV     1
 ASSI { 3714}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HB# ))
      3.600     1.600     1.600 peak  3714 weight  0.10000E+01 volume  0.41851E-03 ppm1      3.818 ppm2      1.736 CV     1
 ASSI { 3716}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 104  and name HA  ))
      2.200     0.600     0.600 peak  3716 weight  0.10000E+01 volume  0.80333E-02 ppm1      4.453 ppm2      4.130 CV     1
 ASSI { 3719}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG# ))
      2.400     0.700     0.700 peak  3719 weight  0.10000E+01 volume  0.54604E-02 ppm1      4.457 ppm2      1.818 CV     1
 ASSI { 3721}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB# ))
      2.500     0.800     0.800 peak  3721 weight  0.10000E+01 volume  0.40556E-02 ppm1      4.454 ppm2      0.907 CV     1
 ASSI { 3723}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.600     1.600 peak  3723 weight  0.10000E+01 volume  0.48612E-03 ppm1      4.450 ppm2      8.851 CV     1
 ASSI { 3726}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HD# ))
      4.500     2.500     1.500 peak  3726 weight  0.10000E+01 volume  0.12223E-03 ppm1      3.971 ppm2      3.281 CV     1
 ASSI { 3727}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.600     1.700     1.700 peak  3727 weight  0.10000E+01 volume  0.40457E-03 ppm1      4.430 ppm2      8.897 CV     1
 ASSI { 3730}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB# ))
      2.000     0.500     0.500 peak  3730 weight  0.10000E+01 volume  0.13946E-01 ppm1      4.431 ppm2      3.907 CV     1
 ASSI { 3732}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 82   and name HG# )
      3.900     1.900     1.900 peak  3732 weight  0.10000E+01 volume  0.25943E-03 ppm1      4.254 ppm2      0.647 CV     1
 ASSI { 3734}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      3.600     1.700     1.700 peak  3734 weight  0.10000E+01 volume  0.40942E-03 ppm1      4.253 ppm2      8.150 CV     1
 ASSI { 3736}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 113  and name HN  ))
      2.800     1.000     1.000 peak  3736 weight  0.10000E+01 volume  0.19967E-02 ppm1      1.136 ppm2      9.435 CV     1
 ASSI { 3737}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 112  and name HN  ))
      3.100     1.200     1.200 peak  3737 weight  0.10000E+01 volume  0.98563E-03 ppm1      1.135 ppm2      9.287 CV     1
 ASSI { 3741}
   (  segid "    " and resid 43   and name HD# )
   (( segid "    " and resid 111  and name HB# ))
      3.600     1.600     1.600 peak  3741 weight  0.10000E+01 volume  0.46961E-03 ppm1      1.135 ppm2      3.258 CV     1
 ASSI { 3747}
   (  segid "    " and resid 43   and name HD# )
   (  segid "    " and resid 66   and name HG# )
      3.200     1.300     1.300 peak  3747 weight  0.10000E+01 volume  0.92662E-03 ppm1      1.138 ppm2      0.346 CV     1
 ASSI { 3749}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak  3749 weight  0.10000E+01 volume  0.29194E-03 ppm1      3.943 ppm2      7.115 CV     1
 ASSI { 3751}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak  3751 weight  0.10000E+01 volume  0.14373E-02 ppm1      3.948 ppm2      8.079 CV     1
 ASSI { 3754}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 93   and name HG# ))
      2.200     0.600     0.600 peak  3754 weight  0.10000E+01 volume  0.79416E-02 ppm1      0.984 ppm2      2.184 CV     1
 ASSI { 3760}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  3760 weight  0.10000E+01 volume  0.11464E-02 ppm1      0.987 ppm2      9.013 CV     1
 ASSI { 3763}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 94   and name HN  ))
      3.300     1.400     1.400 peak  3763 weight  0.10000E+01 volume  0.73326E-03 ppm1      0.984 ppm2      9.479 CV     1
 ASSI { 3764}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.900     1.100     1.100 peak  3764 weight  0.10000E+01 volume  0.14902E-02 ppm1      4.267 ppm2      8.420 CV     1
 ASSI { 3773}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HG# ))
      3.000     1.100     1.100 peak  3773 weight  0.10000E+01 volume  0.23728E-02 ppm1      4.160 ppm2      2.508 CV     1
 ASSI { 3775}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HD# ))
      1.900     0.500     0.500 peak  3775 weight  0.10000E+01 volume  0.18501E-01 ppm1      4.158 ppm2      3.359 CV     1
 ASSI { 3777}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak  3777 weight  0.10000E+01 volume  0.26830E-03 ppm1      4.151 ppm2      7.810 CV     1
 ASSI { 3778}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.600     1.600 peak  3778 weight  0.10000E+01 volume  0.42532E-03 ppm1      4.165 ppm2      8.080 CV     1
 ASSI { 3779}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.000     1.000 peak  3779 weight  0.10000E+01 volume  0.17627E-02 ppm1      4.160 ppm2      9.131 CV     1
 ASSI { 3781}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB# ))
      2.400     0.700     0.700 peak  3781 weight  0.10000E+01 volume  0.47893E-02 ppm1      4.464 ppm2      2.830 CV     1
 ASSI { 3787}
   (  segid "    " and resid 70   and name HD# )
   (( segid "    " and resid 67   and name HN  ))
      4.500     2.500     1.500 peak  3787 weight  0.10000E+01 volume  0.12141E-03 ppm1      0.465 ppm2      8.543 CV     1
 ASSI { 3788}
   (  segid "    " and resid 70   and name HD# )
   (( segid "    " and resid 44   and name HN  ))
      3.200     1.300     1.300 peak  3788 weight  0.10000E+01 volume  0.84621E-03 ppm1      0.464 ppm2      8.304 CV     1
 ASSI { 3803}
   (  segid "    " and resid 70   and name HD# )
   (( segid "    " and resid 43   and name HG1#))
      3.200     1.300     1.300 peak  3803 weight  0.10000E+01 volume  0.84858E-03 ppm1      0.466 ppm2      1.440 CV     1
 ASSI { 3806}
   (  segid "    " and resid 70   and name HD# )
   (  segid "    " and resid 72   and name HD# )
      1.700     0.400     0.500 peak  3806 weight  0.10000E+01 volume  0.42986E-01 ppm1      0.465 ppm2      0.872 CV     1
 ASSI { 3807}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 40   and name HD# ))
      2.300     0.700     0.700 peak  3807 weight  0.10000E+01 volume  0.57788E-02 ppm1      4.050 ppm2      1.600 CV     1
 ASSI { 3812}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak  3812 weight  0.10000E+01 volume  0.10064E-02 ppm1      4.028 ppm2      7.397 CV     1
 ASSI { 3814}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 39   and name HG# ))
      3.000     1.100     1.100 peak  3814 weight  0.10000E+01 volume  0.12384E-02 ppm1      4.074 ppm2      2.017 CV     1
 ASSI { 3816}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 39   and name HB# ))
      3.700     1.700     1.700 peak  3816 weight  0.10000E+01 volume  0.36936E-03 ppm1      4.082 ppm2      2.334 CV     1
 ASSI { 3817}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 39   and name HD# ))
      3.600     1.600     1.600 peak  3817 weight  0.10000E+01 volume  0.46331E-03 ppm1      4.078 ppm2      3.369 CV     1
 ASSI { 3819}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak  3819 weight  0.10000E+01 volume  0.99568E-03 ppm1      4.030 ppm2      8.041 CV     1
 ASSI { 3820}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HB# ))
      3.400     1.500     1.500 peak  3820 weight  0.10000E+01 volume  0.58368E-03 ppm1      4.223 ppm2      1.700 CV     1
 OR { 3820}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
 ASSI { 3822}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HB# ))
      3.800     1.800     1.800 peak  3822 weight  0.10000E+01 volume  0.34108E-03 ppm1      4.216 ppm2      1.358 CV     1
 ASSI { 3826}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 23   and name HG1#))
      1.900     0.500     0.500 peak  3826 weight  0.10000E+01 volume  0.18959E-01 ppm1      0.880 ppm2      1.815 CV     1
 OR { 3826}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 23   and name HB  ))
 ASSI { 3834}
   (  segid "    " and resid 23   and name HD# )
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak  3834 weight  0.10000E+01 volume  0.55457E-03 ppm1      0.881 ppm2      9.515 CV     1
 ASSI { 3835}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 38   and name HB% )
      2.700     0.900     0.900 peak  3835 weight  0.10000E+01 volume  0.25801E-02 ppm1      3.068 ppm2      1.201 CV     1
 OR { 3835}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 43   and name HD# )
 ASSI { 3841}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      3.000     1.100     1.100 peak  3841 weight  0.10000E+01 volume  0.13573E-02 ppm1      4.349 ppm2      9.465 CV     1
 ASSI { 3844}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HG# ))
      2.900     1.100     1.100 peak  3844 weight  0.10000E+01 volume  0.15195E-02 ppm1      4.352 ppm2      2.196 CV     1
 ASSI { 3849}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG# ))
      2.200     0.600     0.600 peak  3849 weight  0.10000E+01 volume  0.81199E-02 ppm1      4.486 ppm2      1.703 CV     1
 ASSI { 3851}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB# ))
      2.100     0.500     0.500 peak  3851 weight  0.10000E+01 volume  0.12694E-01 ppm1      4.487 ppm2      2.005 CV     1
 ASSI { 3857}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
      3.000     1.100     1.100 peak  3857 weight  0.10000E+01 volume  0.13143E-02 ppm1      4.054 ppm2      6.908 CV     1
 ASSI { 3862}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB# ))
      2.500     0.800     0.800 peak  3862 weight  0.10000E+01 volume  0.40088E-02 ppm1      4.211 ppm2      1.667 CV     1
 OR { 3862}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HD# ))
 ASSI { 3863}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 119  and name HD# )
      3.600     1.600     1.600 peak  3863 weight  0.10000E+01 volume  0.43420E-03 ppm1      4.215 ppm2      0.807 CV     1
 ASSI { 3867}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 115  and name HB# ))
      2.200     0.600     0.600 peak  3867 weight  0.10000E+01 volume  0.81190E-02 ppm1      0.823 ppm2      3.481 CV     1
 ASSI { 3870}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 80   and name HN  ))
      4.300     2.400     1.700 peak  3870 weight  0.10000E+01 volume  0.14184E-03 ppm1      0.825 ppm2      7.877 CV     1
 ASSI { 3871}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 115  and name HN  ))
      3.700     1.800     1.800 peak  3871 weight  0.10000E+01 volume  0.34501E-03 ppm1      0.823 ppm2      7.989 CV     1
 ASSI { 3873}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 54   and name HG# ))
      5.000     3.100     1.000 peak  3873 weight  0.10000E+01 volume  0.63385E-04 ppm1      4.285 ppm2      1.879 CV     1
 ASSI { 3874}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG# )
      2.800     1.000     1.000 peak  3874 weight  0.10000E+01 volume  0.21569E-02 ppm1      4.278 ppm2      1.263 CV     1
 ASSI { 3878}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.500     1.500 peak  3878 weight  0.10000E+01 volume  0.58316E-03 ppm1      3.867 ppm2      4.370 CV     1
 ASSI { 3881}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak  3881 weight  0.10000E+01 volume  0.92456E-03 ppm1      3.865 ppm2      8.786 CV     1
 ASSI { 3892}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak  3892 weight  0.10000E+01 volume  0.25176E-02 ppm1      4.368 ppm2      8.768 CV     1
 ASSI { 3897}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      3.300     1.400     1.400 peak  3897 weight  0.10000E+01 volume  0.73481E-03 ppm1      4.325 ppm2      4.556 CV     1
 ASSI { 3905}
   (  segid "    " and resid 109  and name HD# )
   (  segid "    " and resid 80   and name HE% )
      4.200     2.200     1.800 peak  3905 weight  0.10000E+01 volume  0.16682E-03 ppm1      0.300 ppm2      6.640 CV     1
 ASSI { 3906}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 62   and name HZ  ))
      3.500     1.600     1.600 peak  3906 weight  0.10000E+01 volume  0.48024E-03 ppm1      0.304 ppm2      6.262 CV     1
 ASSI { 3907}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 80   and name HB# ))
      3.100     1.200     1.200 peak  3907 weight  0.10000E+01 volume  0.11702E-02 ppm1      0.304 ppm2      2.940 CV     1
 ASSI { 3909}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 87   and name HB# ))
      3.300     1.300     1.300 peak  3909 weight  0.10000E+01 volume  0.77456E-03 ppm1      0.304 ppm2      2.150 CV     1
 OR { 3909}
   (  segid "    " and resid 109  and name HD# )
   (( segid "    " and resid 87   and name HG# ))
 ASSI { 3914}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 72   and name HG  ))
      3.900     1.900     1.900 peak  3914 weight  0.10000E+01 volume  0.27192E-03 ppm1      4.546 ppm2      1.689 CV     1
 OR { 3914}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 72   and name HB# ))
 ASSI { 3916}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.100     0.500     0.500 peak  3916 weight  0.10000E+01 volume  0.12161E-01 ppm1      4.549 ppm2      9.163 CV     1
 ASSI { 3921}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.200     1.200 peak  3921 weight  0.10000E+01 volume  0.95243E-03 ppm1      4.423 ppm2      7.457 CV     1
 ASSI { 3922}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB# ))
      3.400     1.500     1.500 peak  3922 weight  0.10000E+01 volume  0.56664E-03 ppm1      4.416 ppm2      2.809 CV     1
 ASSI { 3931}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      4.400     2.400     1.600 peak  3931 weight  0.10000E+01 volume  0.12770E-03 ppm1      4.139 ppm2      8.707 CV     1
 ASSI { 3932}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.800     1.000     1.000 peak  3932 weight  0.10000E+01 volume  0.21032E-02 ppm1      4.136 ppm2      7.846 CV     1
 ASSI { 3938}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB# ))
      2.400     0.700     0.700 peak  3938 weight  0.10000E+01 volume  0.55884E-02 ppm1      4.141 ppm2      2.419 CV     1
 ASSI { 3940}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 17   and name HB# ))
      2.800     0.900     0.900 peak  3940 weight  0.10000E+01 volume  0.21974E-02 ppm1      4.139 ppm2      0.902 CV     1
 ASSI { 3941}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      3.500     1.500     1.500 peak  3941 weight  0.10000E+01 volume  0.53919E-03 ppm1      4.489 ppm2      9.421 CV     1
 ASSI { 3945}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 95   and name HB# ))
      3.100     1.200     1.200 peak  3945 weight  0.10000E+01 volume  0.10347E-02 ppm1      4.517 ppm2      2.416 CV     1
 ASSI { 3951}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 72   and name HD# )
      3.300     1.300     1.300 peak  3951 weight  0.10000E+01 volume  0.79459E-03 ppm1      4.042 ppm2      0.863 CV     1
 ASSI { 3956}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 57   and name HB# ))
      3.100     1.200     1.200 peak  3956 weight  0.10000E+01 volume  0.11322E-02 ppm1      3.548 ppm2      1.475 CV     1
 ASSI { 3958}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 15   and name HD# ))
      3.700     1.800     1.800 peak  3958 weight  0.10000E+01 volume  0.34676E-03 ppm1      4.011 ppm2      1.749 CV     1
 ASSI { 3962}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 54   and name HB# ))
      3.000     1.100     1.100 peak  3962 weight  0.10000E+01 volume  0.13614E-02 ppm1      4.000 ppm2      2.552 CV     1
 ASSI { 3980}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HD# ))
      2.100     0.500     0.500 peak  3980 weight  0.10000E+01 volume  0.12383E-01 ppm1      4.418 ppm2      3.852 CV     1
 ASSI { 3981}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HD# ))
      2.300     0.600     0.600 peak  3981 weight  0.10000E+01 volume  0.72698E-02 ppm1      4.418 ppm2      3.358 CV     1
 ASSI { 3982}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HG# ))
      2.800     1.000     1.000 peak  3982 weight  0.10000E+01 volume  0.24502E-02 ppm1      4.422 ppm2      2.013 CV     1
 ASSI { 3989}
   (( segid "    " and resid 87   and name HD# ))
   (  segid "    " and resid 59   and name HG# )
      3.800     1.800     1.800 peak  3989 weight  0.10000E+01 volume  0.32653E-03 ppm1      4.091 ppm2      0.939 CV     1
 ASSI { 3998}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 80   and name HB# ))
      2.800     0.900     0.900 peak  3998 weight  0.10000E+01 volume  0.21749E-02 ppm1      4.092 ppm2      2.929 CV     1
 ASSI { 3999}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 80   and name HB# ))
      3.500     1.500     1.500 peak  3999 weight  0.10000E+01 volume  0.54476E-03 ppm1      3.944 ppm2      2.809 CV     1
 ASSI { 4000}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 80   and name HB# ))
      3.100     1.200     1.200 peak  4000 weight  0.10000E+01 volume  0.10465E-02 ppm1      3.938 ppm2      2.928 CV     1
 ASSI { 4003}
   (( segid "    " and resid 87   and name HD# ))
   (( segid "    " and resid 82   and name HN  ))
      3.100     1.200     1.200 peak  4003 weight  0.10000E+01 volume  0.11086E-02 ppm1      3.948 ppm2      9.348 CV     1
 ASSI { 4010}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 50   and name HE# ))
      2.900     1.000     1.000 peak  4010 weight  0.10000E+01 volume  0.17243E-02 ppm1     -0.565 ppm2      2.761 CV     1
 ASSI { 4013}
   (  segid "    " and resid 34   and name HD# )
   (  segid "    " and resid 7    and name HD% )
      2.600     0.800     0.800 peak  4013 weight  0.10000E+01 volume  0.32217E-02 ppm1     -0.566 ppm2      7.068 CV     1
 ASSI { 4015}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak  4015 weight  0.10000E+01 volume  0.11763E-02 ppm1     -0.569 ppm2      8.778 CV     1
 ASSI { 4017}
   (  segid "    " and resid 34   and name HD# )
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.000     1.000 peak  4017 weight  0.10000E+01 volume  0.16248E-02 ppm1     -0.564 ppm2      9.505 CV     1
 ASSI { 4019}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 31   and name HG# )
      2.700     0.900     0.900 peak  4019 weight  0.10000E+01 volume  0.22469E-02 ppm1      3.339 ppm2      0.382 CV     1
 ASSI { 4021}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 23   and name HG# )
      3.000     1.100     1.100 peak  4021 weight  0.10000E+01 volume  0.13790E-02 ppm1      3.337 ppm2      0.862 CV     1
 OR { 4021}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 23   and name HD# )
 ASSI { 4025}
   (( segid "    " and resid 32   and name HD# ))
   (( segid "    " and resid 24   and name HD# ))
      3.000     1.200     1.200 peak  4025 weight  0.10000E+01 volume  0.12062E-02 ppm1      3.385 ppm2      2.797 CV     1
 ASSI { 4027}
   (( segid "    " and resid 32   and name HD# ))
   (( segid "    " and resid 31   and name HA  ))
      2.100     0.500     0.500 peak  4027 weight  0.10000E+01 volume  0.12771E-01 ppm1      3.343 ppm2      4.160 CV     1
 ASSI { 4030}
   (( segid "    " and resid 32   and name HD# ))
   (  segid "    " and resid 97   and name HD% )
      3.200     1.300     1.300 peak  4030 weight  0.10000E+01 volume  0.90556E-03 ppm1      3.344 ppm2      6.932 CV     1
 ASSI { 4031}
   (( segid "    " and resid 32   and name HD# ))
   (( segid "    " and resid 31   and name HN  ))
      4.000     2.000     2.000 peak  4031 weight  0.10000E+01 volume  0.24125E-03 ppm1      3.341 ppm2      9.132 CV     1
 ASSI { 4032}
   (( segid "    " and resid 39   and name HD# ))
   (( segid "    " and resid 39   and name HB# ))
      3.200     1.300     1.300 peak  4032 weight  0.10000E+01 volume  0.92218E-03 ppm1      3.351 ppm2      2.311 CV     1
 ASSI { 4035}
   (( segid "    " and resid 39   and name HD# ))
   (  segid "    " and resid 117  and name HE% )
      2.800     1.000     1.000 peak  4035 weight  0.10000E+01 volume  0.18741E-02 ppm1      3.363 ppm2      6.600 CV     1
 ASSI { 4038}
   (( segid "    " and resid 88   and name HD# ))
   (  segid "    " and resid 96   and name HD# )
      2.900     1.000     1.000 peak  4038 weight  0.10000E+01 volume  0.16332E-02 ppm1      3.975 ppm2      0.925 CV     1
 ASSI { 4039}
   (( segid "    " and resid 88   and name HD# ))
   (  segid "    " and resid 96   and name HD# )
      2.700     0.900     0.900 peak  4039 weight  0.10000E+01 volume  0.23509E-02 ppm1      3.588 ppm2      0.910 CV     1
 ASSI { 4041}
   (( segid "    " and resid 88   and name HD# ))
   (( segid "    " and resid 87   and name HG# ))
      3.600     1.700     1.700 peak  4041 weight  0.10000E+01 volume  0.40550E-03 ppm1      3.582 ppm2      1.775 CV     1
 ASSI { 4044}
   (( segid "    " and resid 88   and name HD# ))
   (( segid "    " and resid 88   and name HB# ))
      2.900     1.000     1.000 peak  4044 weight  0.10000E+01 volume  0.17030E-02 ppm1      3.581 ppm2      2.451 CV     1
 ASSI { 4055}
   (( segid "    " and resid 39   and name HD# ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak  4055 weight  0.10000E+01 volume  0.43812E-03 ppm1      3.861 ppm2      8.915 CV     1
 ASSI { 4057}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  4057 weight  0.10000E+01 volume  0.14184E-02 ppm1      3.292 ppm2      8.051 CV     1
 ASSI { 4058}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.300     1.300 peak  4058 weight  0.10000E+01 volume  0.77064E-03 ppm1      3.623 ppm2      8.041 CV     1
 ASSI { 4067}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 27   and name HB# ))
      3.100     1.200     1.200 peak  4067 weight  0.10000E+01 volume  0.11203E-02 ppm1      3.625 ppm2      2.680 CV     1
 ASSI { 4068}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 29   and name HB# ))
      3.300     1.300     1.300 peak  4068 weight  0.10000E+01 volume  0.78117E-03 ppm1      3.624 ppm2      2.859 CV     1
 ASSI { 4071}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 26   and name HB# ))
      4.700     2.800     1.300 peak  4071 weight  0.10000E+01 volume  0.87335E-04 ppm1      3.624 ppm2      1.465 CV     1
 ASSI { 4075}
   (  segid "    " and resid 66   and name HD# )
   (( segid "    " and resid 35   and name HB  ))
      3.000     1.200     1.200 peak  4075 weight  0.10000E+01 volume  0.12166E-02 ppm1     -0.118 ppm2      2.049 CV     1
 ASSI { 4077}
   (  segid "    " and resid 66   and name HD# )
   (( segid "    " and resid 80   and name HZ  ))
      3.000     3.000     3.000 peak  4077 weight  0.10000E+01 volume  0.32732E-02 ppm1     -0.121 ppm2      6.392 CV     1
 ASSI { 4081}
   (  segid "    " and resid 66   and name HD# )
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak  4081 weight  0.10000E+01 volume  0.46641E-03 ppm1     -0.118 ppm2      8.529 CV     1
 ASSI { 4082}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.900     1.000     1.000 peak  4082 weight  0.10000E+01 volume  0.16487E-02 ppm1      6.510 ppm2      9.003 CV     1
 ASSI { 4084}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 5    and name HE% )
      3.200     1.300     1.300 peak  4084 weight  0.10000E+01 volume  0.83278E-03 ppm1      6.504 ppm2      7.423 CV     1
 ASSI { 4085}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 5    and name HD% )
      3.600     1.600     1.600 peak  4085 weight  0.10000E+01 volume  0.43245E-03 ppm1      6.505 ppm2      7.244 CV     1
 OR { 4085}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 5    and name HZ  ))
 ASSI { 4086}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 111  and name HD% )
      2.800     1.000     1.000 peak  4086 weight  0.10000E+01 volume  0.19408E-02 ppm1      6.511 ppm2      6.832 CV     1
 ASSI { 4089}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 81   and name HB# ))
      3.900     1.900     1.900 peak  4089 weight  0.10000E+01 volume  0.25364E-03 ppm1      6.512 ppm2      2.809 CV     1
 ASSI { 4092}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 36   and name HB# ))
      4.300     2.300     1.700 peak  4092 weight  0.10000E+01 volume  0.14381E-03 ppm1      6.510 ppm2      1.899 CV     1
 ASSI { 4094}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 86   and name HG# )
      5.100     3.200     0.900 peak  4094 weight  0.10000E+01 volume  0.56985E-04 ppm1      6.006 ppm2      1.140 CV     1
 ASSI { 4095}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 110  and name HB% )
      4.100     2.100     1.900 peak  4095 weight  0.10000E+01 volume  0.19614E-03 ppm1      6.019 ppm2      1.561 CV     1
 ASSI { 4096}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 87   and name HG# ))
      4.600     2.600     1.400 peak  4096 weight  0.10000E+01 volume  0.10138E-03 ppm1      6.012 ppm2      2.139 CV     1
 ASSI { 4097}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HB# ))
      4.300     2.300     1.700 peak  4097 weight  0.10000E+01 volume  0.15351E-03 ppm1      6.018 ppm2      2.647 CV     1
 ASSI { 4098}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 111  and name HB# ))
      3.200     1.300     1.300 peak  4098 weight  0.10000E+01 volume  0.82710E-03 ppm1      6.011 ppm2      3.270 CV     1
 ASSI { 4110}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.400     1.400 peak  4110 weight  0.10000E+01 volume  0.63622E-03 ppm1      5.091 ppm2      7.803 CV     1
 ASSI { 4122}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak  4122 weight  0.10000E+01 volume  0.42171E-03 ppm1      5.113 ppm2      8.910 CV     1
 ASSI { 4125}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.600     1.500 peak  4125 weight  0.10000E+01 volume  0.10756E-03 ppm1      6.728 ppm2      8.913 CV     1
 ASSI { 4126}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 81   and name HE% )
      3.900     1.900     1.900 peak  4126 weight  0.10000E+01 volume  0.26893E-03 ppm1      6.721 ppm2      7.181 CV     1
 ASSI { 4127}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 63   and name HD% )
      4.100     2.100     1.900 peak  4127 weight  0.10000E+01 volume  0.19150E-03 ppm1      6.721 ppm2      6.273 CV     1
 ASSI { 4128}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      4.200     2.200     1.800 peak  4128 weight  0.10000E+01 volume  0.17405E-03 ppm1      6.716 ppm2      3.089 CV     1
 ASSI { 4134}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 87   and name HD# ))
      2.700     0.900     0.900 peak  4134 weight  0.10000E+01 volume  0.23032E-02 ppm1      5.081 ppm2      4.059 CV     1
 ASSI { 4145}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 46   and name HD# )
      2.800     1.000     1.000 peak  4145 weight  0.10000E+01 volume  0.19208E-02 ppm1      5.047 ppm2      0.993 CV     1
 ASSI { 4149}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB# ))
      3.000     1.100     1.100 peak  4149 weight  0.10000E+01 volume  0.13441E-02 ppm1      5.202 ppm2      2.160 CV     1
 OR { 4149}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HG# ))
 ASSI { 4154}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.700     0.900     0.900 peak  4154 weight  0.10000E+01 volume  0.27388E-02 ppm1      5.114 ppm2      7.895 CV     1
 ASSI { 4157}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 107  and name HB# ))
      2.900     1.100     1.100 peak  4157 weight  0.10000E+01 volume  0.15197E-02 ppm1      5.118 ppm2      1.349 CV     1
 ASSI { 4158}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HG1#))
      4.300     2.300     1.700 peak  4158 weight  0.10000E+01 volume  0.16094E-03 ppm1      5.120 ppm2      0.103 CV     1
 ASSI { 4163}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  4163 weight  0.10000E+01 volume  0.23973E-02 ppm1      5.733 ppm2      9.380 CV     1
 ASSI { 4167}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HD# ))
      4.500     2.500     1.500 peak  4167 weight  0.10000E+01 volume  0.11624E-03 ppm1      5.125 ppm2      3.386 CV     1
 ASSI { 4168}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      3.800     1.800     1.800 peak  4168 weight  0.10000E+01 volume  0.30268E-03 ppm1      5.128 ppm2      1.752 CV     1
 ASSI { 4169}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HG# ))
      3.200     1.300     1.300 peak  4169 weight  0.10000E+01 volume  0.90390E-03 ppm1      5.126 ppm2      1.431 CV     1
 ASSI { 4170}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      4.100     2.100     1.900 peak  4170 weight  0.10000E+01 volume  0.19119E-03 ppm1      5.123 ppm2      1.051 CV     1
 ASSI { 4171}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 23   and name HG# )
      3.100     1.200     1.200 peak  4171 weight  0.10000E+01 volume  0.10207E-02 ppm1      5.125 ppm2      0.869 CV     1
 OR { 4171}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 23   and name HD# )
 ASSI { 4179}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 93   and name HN  ))
      4.500     2.600     1.500 peak  4179 weight  0.10000E+01 volume  0.11180E-03 ppm1      4.030 ppm2      9.327 CV     1
 ASSI { 4191}
   (( segid "    " and resid 88   and name HB# ))
   (( segid "    " and resid 90   and name HB# ))
      4.300     2.300     1.700 peak  4191 weight  0.10000E+01 volume  0.15000E-03 ppm1      2.043 ppm2      4.125 CV     1
 ASSI { 4193}
   (( segid "    " and resid 87   and name HB# ))
   (  segid "    " and resid 91   and name HB% )
      3.600     1.700     1.700 peak  4193 weight  0.10000E+01 volume  0.41314E-03 ppm1      2.008 ppm2      1.498 CV     1
 ASSI { 4202}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 59   and name HB  ))
      4.000     2.000     2.000 peak  4202 weight  0.10000E+01 volume  0.24631E-03 ppm1      1.759 ppm2      2.389 CV     1
 ASSI { 4203}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 80   and name HB# ))
      3.400     1.500     1.500 peak  4203 weight  0.10000E+01 volume  0.58688E-03 ppm1      1.751 ppm2      2.808 CV     1
 ASSI { 4204}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 80   and name HB# ))
      3.600     1.600     1.600 peak  4204 weight  0.10000E+01 volume  0.46238E-03 ppm1      1.756 ppm2      2.921 CV     1
 ASSI { 4205}
   (( segid "    " and resid 17   and name HG# ))
   (  segid "    " and resid 105  and name HE% )
      3.700     1.700     1.700 peak  4205 weight  0.10000E+01 volume  0.40137E-03 ppm1      1.749 ppm2      7.306 CV     1
 ASSI { 4207}
   (( segid "    " and resid 87   and name HG# ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     5.300     0.000 peak  4207 weight  0.10000E+01 volume  0.12801E-04 ppm1      2.141 ppm2      8.586 CV     1
 ASSI { 4208}
   (( segid "    " and resid 87   and name HG# ))
   (  segid "    " and resid 80   and name HD% )
      3.900     1.900     1.900 peak  4208 weight  0.10000E+01 volume  0.27584E-03 ppm1      1.755 ppm2      6.805 CV     1
 ASSI { 4210}
   (( segid "    " and resid 87   and name HB# ))
   (( segid "    " and resid 87   and name HG# ))
      2.800     0.900     0.900 peak  4210 weight  0.10000E+01 volume  0.21785E-02 ppm1      2.005 ppm2      1.759 CV     1
 ASSI { 4214}
   (( segid "    " and resid 3    and name HG# ))
   (  segid "    " and resid 3    and name HE% )
      2.500     0.800     0.800 peak  4214 weight  0.10000E+01 volume  0.36140E-02 ppm1      2.156 ppm2      1.628 CV     1
 ASSI { 4216}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 83   and name HA  ))
      3.800     1.800     1.800 peak  4216 weight  0.10000E+01 volume  0.32033E-03 ppm1      2.147 ppm2      4.339 CV     1
 ASSI { 4217}
   (( segid "    " and resid 3    and name HG# ))
   (  segid "    " and resid 117  and name HE% )
      3.800     1.800     1.800 peak  4217 weight  0.10000E+01 volume  0.31208E-03 ppm1      2.151 ppm2      6.607 CV     1
 OR { 4217}
   (( segid "    " and resid 3    and name HG# ))
   (  segid "    " and resid 117  and name HD% )
 ASSI { 4220}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 4    and name HN  ))
      3.800     1.800     1.800 peak  4220 weight  0.10000E+01 volume  0.30908E-03 ppm1      2.151 ppm2      8.062 CV     1
 ASSI { 4221}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 84   and name HN  ))
      4.100     2.100     1.900 peak  4221 weight  0.10000E+01 volume  0.19439E-03 ppm1      2.157 ppm2      8.157 CV     1
 ASSI { 4222}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 3    and name HN  ))
      4.000     2.000     2.000 peak  4222 weight  0.10000E+01 volume  0.22474E-03 ppm1      2.156 ppm2      8.391 CV     1
 ASSI { 4223}
   (( segid "    " and resid 3    and name HG# ))
   (( segid "    " and resid 83   and name HN  ))
      4.700     2.800     1.300 peak  4223 weight  0.10000E+01 volume  0.83619E-04 ppm1      2.160 ppm2      9.839 CV     1
 ASSI { 4224}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 87   and name HD# ))
      4.300     2.300     1.700 peak  4224 weight  0.10000E+01 volume  0.15176E-03 ppm1      0.820 ppm2      4.095 CV     1
 ASSI { 4248}
   (( segid "    " and resid 15   and name HG# ))
   (( segid "    " and resid 13   and name HA  ))
      4.300     2.400     1.700 peak  4248 weight  0.10000E+01 volume  0.14287E-03 ppm1      1.497 ppm2      3.973 CV     1
 ASSI { 4251}
   (( segid "    " and resid 61   and name HB# ))
   (( segid "    " and resid 61   and name HE22))
      4.500     2.600     1.500 peak  4251 weight  0.10000E+01 volume  0.11066E-03 ppm1      2.108 ppm2      7.588 CV     1
 ASSI { 4257}
   (( segid "    " and resid 10   and name HG# ))
   (( segid "    " and resid 11   and name HD# ))
      4.900     3.000     1.100 peak  4257 weight  0.10000E+01 volume  0.67101E-04 ppm1      1.873 ppm2      6.227 CV     1
 ASSI { 4258}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 14   and name HG# ))
      4.000     2.000     2.000 peak  4258 weight  0.10000E+01 volume  0.22298E-03 ppm1      2.982 ppm2      2.469 CV     1
 ASSI { 4259}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 12   and name HB# ))
      5.200     3.400     0.800 peak  4259 weight  0.10000E+01 volume  0.47281E-04 ppm1      3.487 ppm2      2.578 CV     1
 ASSI { 4266}
   (( segid "    " and resid 4    and name HB# ))
   (( segid "    " and resid 4    and name HE# ))
      4.100     2.100     1.900 peak  4266 weight  0.10000E+01 volume  0.19842E-03 ppm1      1.675 ppm2      2.929 CV     1
 ASSI { 4267}
   (( segid "    " and resid 4    and name HD# ))
   (( segid "    " and resid 5    and name HN  ))
      5.300     3.400     0.700 peak  4267 weight  0.10000E+01 volume  0.45320E-04 ppm1      1.632 ppm2      8.593 CV     1
 ASSI { 4270}
   (( segid "    " and resid 5    and name HB# ))
   (( segid "    " and resid 8    and name HD# ))
      4.600     2.700     1.400 peak  4270 weight  0.10000E+01 volume  0.98075E-04 ppm1      2.624 ppm2      2.175 CV     1
 ASSI { 4271}
   (( segid "    " and resid 29   and name HB# ))
   (( segid "    " and resid 30   and name HG# ))
      4.400     2.400     1.600 peak  4271 weight  0.10000E+01 volume  0.13782E-03 ppm1      2.860 ppm2      1.314 CV     1
 ASSI { 4273}
   (( segid "    " and resid 29   and name HB# ))
   (( segid "    " and resid 28   and name HB# ))
      4.300     2.300     1.700 peak  4273 weight  0.10000E+01 volume  0.15206E-03 ppm1      2.855 ppm2      2.339 CV     1
 ASSI { 4274}
   (( segid "    " and resid 29   and name HB# ))
   (( segid "    " and resid 55   and name HB# ))
      4.300     2.300     1.700 peak  4274 weight  0.10000E+01 volume  0.16063E-03 ppm1      2.862 ppm2      3.669 CV     1
 OR { 4274}
   (( segid "    " and resid 29   and name HB# ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 4277}
   (( segid "    " and resid 29   and name HB# ))
   (( segid "    " and resid 30   and name HN  ))
      4.500     2.500     1.500 peak  4277 weight  0.10000E+01 volume  0.11314E-03 ppm1      2.869 ppm2      7.802 CV     1
 ASSI { 4279}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 55   and name HA  ))
      5.000     3.100     1.000 peak  4279 weight  0.10000E+01 volume  0.61527E-04 ppm1      2.702 ppm2      3.666 CV     1
 OR { 4279}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 55   and name HB# ))
 ASSI { 4280}
   (( segid "    " and resid 47   and name HB# ))
   (( segid "    " and resid 46   and name HN  ))
      4.700     2.700     1.300 peak  4280 weight  0.10000E+01 volume  0.92084E-04 ppm1      2.797 ppm2      8.123 CV     1
 ASSI { 4281}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 54   and name HB# ))
      3.600     1.600     1.600 peak  4281 weight  0.10000E+01 volume  0.43450E-03 ppm1      2.794 ppm2      1.992 CV     1
 ASSI { 4283}
   (( segid "    " and resid 28   and name HG# ))
   (( segid "    " and resid 27   and name HN  ))
      5.500     3.800     0.500 peak  4283 weight  0.10000E+01 volume  0.34273E-04 ppm1      1.954 ppm2      8.061 CV     1
 ASSI { 4287}
   (( segid "    " and resid 70   and name HG1#))
   (  segid "    " and resid 111  and name HE% )
      5.500     3.800     0.500 peak  4287 weight  0.10000E+01 volume  0.33860E-04 ppm1      1.331 ppm2      6.648 CV     1
 ASSI { 4290}
   (( segid "    " and resid 109  and name HG1#))
   (  segid "    " and resid 62   and name HE% )
      5.700     4.100     0.300 peak  4290 weight  0.10000E+01 volume  0.26428E-04 ppm1      0.810 ppm2      6.495 CV     1
 ASSI { 4291}
   (( segid "    " and resid 86   and name HG1#))
   (( segid "    " and resid 79   and name HB# ))
      5.300     3.600     0.700 peak  4291 weight  0.10000E+01 volume  0.41500E-04 ppm1      0.807 ppm2      2.596 CV     1
 ASSI { 4302}
   (  segid "    " and resid 107  and name HD# )
   (  segid "    " and resid 31   and name HG# )
      3.300     1.300     1.300 peak  4302 weight  0.10000E+01 volume  0.76620E-03 ppm1      0.880 ppm2      0.346 CV     1
 ASSI { 4303}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 97   and name HB# ))
      4.400     2.500     1.600 peak  4303 weight  0.10000E+01 volume  0.12604E-03 ppm1      0.877 ppm2      3.317 CV     1
 ASSI { 4308}
   (( segid "    " and resid 107  and name HG  ))
   (( segid "    " and resid 100  and name HB# ))
      5.000     3.100     1.000 peak  4308 weight  0.10000E+01 volume  0.64005E-04 ppm1      0.762 ppm2      2.791 CV     1
 ASSI { 4309}
   (( segid "    " and resid 107  and name HB# ))
   (( segid "    " and resid 101  and name HB# ))
      4.300     2.400     1.700 peak  4309 weight  0.10000E+01 volume  0.14153E-03 ppm1      2.056 ppm2      2.273 CV     1
 ASSI { 4310}
   (( segid "    " and resid 107  and name HB# ))
   (( segid "    " and resid 33   and name HB  ))
      4.200     2.200     1.800 peak  4310 weight  0.10000E+01 volume  0.18396E-03 ppm1      2.049 ppm2      1.756 CV     1
 ASSI { 4313}
   (( segid "    " and resid 105  and name HB# ))
   (( segid "    " and resid 21   and name HB# ))
      4.900     3.000     1.100 peak  4313 weight  0.10000E+01 volume  0.71851E-04 ppm1      3.473 ppm2      1.887 CV     1
 ASSI { 4318}
   (( segid "    " and resid 104  and name HB# ))
   (( segid "    " and resid 17   and name HB# ))
      4.100     2.100     1.900 peak  4318 weight  0.10000E+01 volume  0.18912E-03 ppm1      3.117 ppm2      0.901 CV     1
 ASSI { 4319}
   (( segid "    " and resid 104  and name HB# ))
   (( segid "    " and resid 105  and name HN  ))
      4.800     2.900     1.200 peak  4319 weight  0.10000E+01 volume  0.74225E-04 ppm1      2.425 ppm2      7.845 CV     1
 ASSI { 4322}
   (( segid "    " and resid 99   and name HG# ))
   (  segid "    " and resid 96   and name HD# )
      4.400     2.400     1.600 peak  4322 weight  0.10000E+01 volume  0.13647E-03 ppm1      1.611 ppm2      0.907 CV     1
 ASSI { 4326}
   (( segid "    " and resid 99   and name HB# ))
   (( segid "    " and resid 98   and name HB# ))
      5.300     3.500     0.700 peak  4326 weight  0.10000E+01 volume  0.44700E-04 ppm1      1.498 ppm2      2.321 CV     1
 ASSI { 4328}
   (( segid "    " and resid 98   and name HB# ))
   (( segid "    " and resid 100  and name HN  ))
      4.400     2.400     1.600 peak  4328 weight  0.10000E+01 volume  0.13431E-03 ppm1      2.331 ppm2      8.156 CV     1
 ASSI { 4335}
   (  segid "    " and resid 96   and name HD# )
   (  segid "    " and resid 80   and name HD% )
      4.800     2.900     1.200 peak  4335 weight  0.10000E+01 volume  0.77941E-04 ppm1      0.911 ppm2      6.818 CV     1
 ASSI { 4338}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 93   and name HN  ))
      3.900     1.900     1.900 peak  4338 weight  0.10000E+01 volume  0.26913E-03 ppm1      0.912 ppm2      9.331 CV     1
 ASSI { 4339}
   (  segid "    " and resid 96   and name HD# )
   (( segid "    " and resid 97   and name HN  ))
      3.500     1.600     1.600 peak  4339 weight  0.10000E+01 volume  0.48778E-03 ppm1      0.911 ppm2      9.014 CV     1
 ASSI { 4346}
   (( segid "    " and resid 96   and name HB# ))
   (( segid "    " and resid 87   and name HB# ))
      4.300     2.300     1.700 peak  4346 weight  0.10000E+01 volume  0.14586E-03 ppm1      1.824 ppm2      2.154 CV     1
 ASSI { 4348}
   (( segid "    " and resid 95   and name HB# ))
   (( segid "    " and resid 95   and name HE21))
      5.200     3.400     0.800 peak  4348 weight  0.10000E+01 volume  0.45526E-04 ppm1      2.399 ppm2      7.745 CV     1
 ASSI { 4352}
   (( segid "    " and resid 93   and name HB# ))
   (( segid "    " and resid 62   and name HN  ))
      4.600     2.700     1.400 peak  4352 weight  0.10000E+01 volume  0.95284E-04 ppm1      1.391 ppm2      8.851 CV     1
 ASSI { 4353}
   (( segid "    " and resid 93   and name HB# ))
   (  segid "    " and resid 53   and name HG# )
      3.200     1.300     1.300 peak  4353 weight  0.10000E+01 volume  0.84765E-03 ppm1      1.394 ppm2      0.859 CV     1
 ASSI { 4356}
   (( segid "    " and resid 93   and name HG# ))
   (( segid "    " and resid 62   and name HB# ))
      4.500     2.500     1.500 peak  4356 weight  0.10000E+01 volume  0.11913E-03 ppm1      2.194 ppm2      3.274 CV     1
 ASSI { 4361}
   (  segid "    " and resid 92   and name HG# )
   (( segid "    " and resid 57   and name HA  ))
      4.800     2.800     1.200 peak  4361 weight  0.10000E+01 volume  0.81450E-04 ppm1      1.230 ppm2      4.286 CV     1
 ASSI { 4362}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 85   and name HB  ))
      4.000     2.000     2.000 peak  4362 weight  0.10000E+01 volume  0.24425E-03 ppm1      3.024 ppm2      2.205 CV     1
 ASSI { 4366}
   (( segid "    " and resid 81   and name HB# ))
   (( segid "    " and resid 86   and name HG1#))
      6.000     5.300     0.000 peak  4366 weight  0.10000E+01 volume  0.12182E-04 ppm1      2.797 ppm2      0.797 CV     1
 OR { 4366}
   (( segid "    " and resid 81   and name HB# ))
   (  segid "    " and resid 86   and name HD# )
 ASSI { 4367}
   (( segid "    " and resid 81   and name HB# ))
   (( segid "    " and resid 86   and name HA  ))
      5.300     3.500     0.700 peak  4367 weight  0.10000E+01 volume  0.43048E-04 ppm1      2.656 ppm2      5.218 CV     1
 ASSI { 4368}
   (( segid "    " and resid 45   and name HB# ))
   (( segid "    " and resid 44   and name HA# ))
      4.400     2.400     1.600 peak  4368 weight  0.10000E+01 volume  0.13823E-03 ppm1      2.524 ppm2      3.877 CV     1
 ASSI { 4369}
   (( segid "    " and resid 78   and name HB# ))
   (  segid "    " and resid 111  and name HD% )
      4.900     3.000     1.100 peak  4369 weight  0.10000E+01 volume  0.68134E-04 ppm1      1.110 ppm2      6.829 CV     1
 ASSI { 4377}
   (( segid "    " and resid 73   and name HG# ))
   (( segid "    " and resid 76   and name HN  ))
      4.700     2.800     1.300 peak  4377 weight  0.10000E+01 volume  0.83412E-04 ppm1      1.755 ppm2      7.467 CV     1
 ASSI { 4382}
   (( segid "    " and resid 70   and name HG1#))
   (( segid "    " and resid 68   and name HN  ))
      5.200     3.300     0.800 peak  4382 weight  0.10000E+01 volume  0.50378E-04 ppm1      0.948 ppm2      7.327 CV     1
 ASSI { 4383}
   (( segid "    " and resid 109  and name HG1#))
   (  segid "    " and resid 62   and name HE% )
      4.900     3.000     1.100 peak  4383 weight  0.10000E+01 volume  0.65862E-04 ppm1      1.315 ppm2      6.487 CV     1
 ASSI { 4386}
   (( segid "    " and resid 109  and name HG1#))
   (( segid "    " and resid 34   and name HN  ))
      5.300     3.500     0.700 peak  4386 weight  0.10000E+01 volume  0.43254E-04 ppm1      1.323 ppm2      8.766 CV     1
 ASSI { 4392}
   (( segid "    " and resid 69   and name HG# ))
   (  segid "    " and resid 66   and name HG# )
      5.400     3.700     0.600 peak  4392 weight  0.10000E+01 volume  0.37267E-04 ppm1      1.895 ppm2      0.378 CV     1
 ASSI { 4393}
   (( segid "    " and resid 69   and name HG# ))
   (( segid "    " and resid 48   and name HD# ))
      3.400     1.500     1.500 peak  4393 weight  0.10000E+01 volume  0.60113E-03 ppm1      1.704 ppm2      1.373 CV     1
 ASSI { 4394}
   (( segid "    " and resid 69   and name HG# ))
   (  segid "    " and resid 46   and name HD# )
      3.200     1.200     1.200 peak  4394 weight  0.10000E+01 volume  0.96994E-03 ppm1      1.702 ppm2      0.897 CV     1
 ASSI { 4397}
   (( segid "    " and resid 111  and name HB# ))
   (  segid "    " and resid 66   and name HG# )
      3.800     1.800     1.800 peak  4397 weight  0.10000E+01 volume  0.32911E-03 ppm1      3.278 ppm2      0.351 CV     1
 ASSI { 4400}
   (( segid "    " and resid 68   and name HB# ))
   (( segid "    " and resid 71   and name HA  ))
      5.300     3.500     0.700 peak  4400 weight  0.10000E+01 volume  0.43048E-04 ppm1      1.759 ppm2      4.229 CV     1
 ASSI { 4401}
   (( segid "    " and resid 40   and name HE# ))
   (( segid "    " and resid 119  and name HN  ))
      4.600     2.600     1.400 peak  4401 weight  0.10000E+01 volume  0.10334E-03 ppm1      2.883 ppm2      7.409 CV     1
 ASSI { 4404}
   (( segid "    " and resid 111  and name HB# ))
   (  segid "    " and resid 43   and name HD# )
      3.600     1.700     1.700 peak  4404 weight  0.10000E+01 volume  0.40581E-03 ppm1      2.850 ppm2      1.133 CV     1
 ASSI { 4416}
   (( segid "    " and resid 67   and name HG# ))
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak  4416 weight  0.10000E+01 volume  0.34996E-03 ppm1      1.184 ppm2      8.540 CV     1
 ASSI { 4417}
   (( segid "    " and resid 67   and name HG# ))
   (( segid "    " and resid 74   and name HN  ))
      4.800     2.900     1.200 peak  4417 weight  0.10000E+01 volume  0.74638E-04 ppm1      1.170 ppm2      8.780 CV     1
 ASSI { 4420}
   (  segid "    " and resid 66   and name HG# )
   (( segid "    " and resid 112  and name HN  ))
      5.100     3.300     0.900 peak  4420 weight  0.10000E+01 volume  0.53062E-04 ppm1      0.360 ppm2      9.294 CV     1
 ASSI { 4422}
   (( segid "    " and resid 66   and name HG1#))
   (  segid "    " and resid 62   and name HE% )
      3.900     1.900     1.900 peak  4422 weight  0.10000E+01 volume  0.27295E-03 ppm1      0.694 ppm2      6.528 CV     1
 ASSI { 4424}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 66   and name HA  ))
      4.600     2.600     1.400 peak  4424 weight  0.10000E+01 volume  0.10127E-03 ppm1      1.640 ppm2      3.441 CV     1
 ASSI { 4425}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 66   and name HG1#))
      3.900     1.900     1.900 peak  4425 weight  0.10000E+01 volume  0.28750E-03 ppm1      1.637 ppm2      0.696 CV     1
 ASSI { 4426}
   (( segid "    " and resid 65   and name HB# ))
   (( segid "    " and resid 66   and name HG1#))
      4.200     2.200     1.800 peak  4426 weight  0.10000E+01 volume  0.18076E-03 ppm1      1.818 ppm2      0.677 CV     1
 ASSI { 4434}
   (( segid "    " and resid 14   and name HB# ))
   (( segid "    " and resid 15   and name HG# ))
      3.100     1.200     1.200 peak  4434 weight  0.10000E+01 volume  0.11558E-02 ppm1      2.101 ppm2      1.516 CV     1
 ASSI { 4438}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 87   and name HG# ))
      3.300     1.400     1.400 peak  4438 weight  0.10000E+01 volume  0.69156E-03 ppm1      2.396 ppm2      2.155 CV     1
 OR { 4438}
   (( segid "    " and resid 59   and name HB  ))
   (( segid "    " and resid 87   and name HB# ))
 ASSI { 4448}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HE# ))
      4.100     2.100     1.900 peak  4448 weight  0.10000E+01 volume  0.19284E-03 ppm1      1.976 ppm2      2.946 CV     1
 ASSI { 4449}
   (( segid "    " and resid 69   and name HG# ))
   (  segid "    " and resid 51   and name HE% )
      5.000     3.100     1.000 peak  4449 weight  0.10000E+01 volume  0.64211E-04 ppm1      1.897 ppm2      6.631 CV     1
 ASSI { 4451}
   (( segid "    " and resid 54   and name HG# ))
   (( segid "    " and resid 57   and name HB# ))
      3.400     1.500     1.500 peak  4451 weight  0.10000E+01 volume  0.59947E-03 ppm1      2.245 ppm2      1.487 CV     1
 ASSI { 4452}
   (( segid "    " and resid 54   and name HG# ))
   (( segid "    " and resid 57   and name HB# ))
      3.700     1.700     1.700 peak  4452 weight  0.10000E+01 volume  0.38413E-03 ppm1      2.247 ppm2      1.685 CV     1
 ASSI { 4455}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 62   and name HD% )
      3.600     1.600     1.600 peak  4455 weight  0.10000E+01 volume  0.43338E-03 ppm1      1.975 ppm2      6.920 CV     1
 ASSI { 4457}
   (( segid "    " and resid 52   and name HB# ))
   (( segid "    " and resid 30   and name HD# ))
      5.500     3.800     0.500 peak  4457 weight  0.10000E+01 volume  0.33035E-04 ppm1      1.256 ppm2      2.653 CV     1
 ASSI { 4459}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
      5.100     3.300     0.900 peak  4459 weight  0.10000E+01 volume  0.54094E-04 ppm1      1.099 ppm2      6.958 CV     1
 ASSI { 4460}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 111  and name HA  ))
      4.900     3.100     1.100 peak  4460 weight  0.10000E+01 volume  0.65037E-04 ppm1      1.092 ppm2      6.695 CV     1
 ASSI { 4461}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HA  ))
      4.700     2.800     1.300 peak  4461 weight  0.10000E+01 volume  0.86819E-04 ppm1      1.090 ppm2      4.551 CV     1
 ASSI { 4466}
   (( segid "    " and resid 78   and name HG  ))
   (  segid "    " and resid 78   and name HD# )
      2.800     1.000     1.000 peak  4466 weight  0.10000E+01 volume  0.20411E-02 ppm1      1.099 ppm2      0.823 CV     1
 ASSI { 4468}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 30   and name HG# ))
      2.700     0.900     0.900 peak  4468 weight  0.10000E+01 volume  0.22947E-02 ppm1      1.071 ppm2      1.290 CV     1
 ASSI { 4473}
   (( segid "    " and resid 51   and name HB# ))
   (( segid "    " and resid 33   and name HN  ))
      5.000     3.100     1.000 peak  4473 weight  0.10000E+01 volume  0.61940E-04 ppm1      2.826 ppm2      8.893 CV     1
 ASSI { 4481}
   (( segid "    " and resid 50   and name HB# ))
   (( segid "    " and resid 52   and name HN  ))
      5.300     3.500     0.700 peak  4481 weight  0.10000E+01 volume  0.43048E-04 ppm1      1.636 ppm2      8.592 CV     1
 ASSI { 4482}
   (( segid "    " and resid 48   and name HB# ))
   (  segid "    " and resid 46   and name HD# )
      3.700     1.700     1.700 peak  4482 weight  0.10000E+01 volume  0.39641E-03 ppm1      1.638 ppm2      0.871 CV     1
 ASSI { 4483}
   (( segid "    " and resid 50   and name HB# ))
   (  segid "    " and resid 34   and name HG# )
      4.800     2.900     1.200 peak  4483 weight  0.10000E+01 volume  0.76909E-04 ppm1      1.228 ppm2      0.644 CV     1
 ASSI { 4485}
   (( segid "    " and resid 50   and name HD# ))
   (( segid "    " and resid 51   and name HN  ))
      4.300     2.300     1.700 peak  4485 weight  0.10000E+01 volume  0.14804E-03 ppm1      1.595 ppm2      9.500 CV     1
 ASSI { 4486}
   (( segid "    " and resid 50   and name HG# ))
   (  segid "    " and resid 52   and name HD# )
      4.100     2.100     1.900 peak  4486 weight  0.10000E+01 volume  0.19077E-03 ppm1      1.017 ppm2      0.412 CV     1
 ASSI { 4489}
   (( segid "    " and resid 49   and name HB# ))
   (( segid "    " and resid 50   and name HB# ))
      5.100     3.200     0.900 peak  4489 weight  0.10000E+01 volume  0.55436E-04 ppm1      2.159 ppm2      1.224 CV     1
 ASSI { 4490}
   (( segid "    " and resid 49   and name HG# ))
   (  segid "    " and resid 34   and name HD# )
      4.800     2.900     1.200 peak  4490 weight  0.10000E+01 volume  0.77631E-04 ppm1      1.602 ppm2     -0.564 CV     1
 ASSI { 4492}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 36   and name HG# ))
      4.300     2.300     1.700 peak  4492 weight  0.10000E+01 volume  0.14577E-03 ppm1      1.754 ppm2      2.612 CV     1
 ASSI { 4493}
   (( segid "    " and resid 49   and name HG# ))
   (( segid "    " and resid 50   and name HN  ))
      5.400     3.700     0.600 peak  4493 weight  0.10000E+01 volume  0.36957E-04 ppm1      1.731 ppm2      6.992 CV     1
 ASSI { 4495}
   (( segid "    " and resid 49   and name HE# ))
   (  segid "    " and resid 6    and name HG# )
      4.400     2.400     1.600 peak  4495 weight  0.10000E+01 volume  0.13926E-03 ppm1      3.266 ppm2      1.115 CV     1
 ASSI { 4496}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 8    and name HB# ))
      4.700     2.700     1.300 peak  4496 weight  0.10000E+01 volume  0.90123E-04 ppm1      3.246 ppm2      1.444 CV     1
 ASSI { 4497}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 36   and name HA  ))
      5.400     3.600     0.600 peak  4497 weight  0.10000E+01 volume  0.40261E-04 ppm1      3.244 ppm2      4.988 CV     1
 ASSI { 4499}
   (( segid "    " and resid 49   and name HE# ))
   (( segid "    " and resid 11   and name HN  ))
      5.000     3.100     1.000 peak  4499 weight  0.10000E+01 volume  0.60598E-04 ppm1      3.244 ppm2      7.145 CV     1
 ASSI { 4505}
   (( segid "    " and resid 48   and name HG# ))
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.700     1.700 peak  4505 weight  0.10000E+01 volume  0.37897E-03 ppm1      1.159 ppm2      6.975 CV     1
 ASSI { 4514}
   (( segid "    " and resid 46   and name HB# ))
   (( segid "    " and resid 45   and name HB# ))
      4.500     2.500     1.500 peak  4514 weight  0.10000E+01 volume  0.12047E-03 ppm1      1.839 ppm2      2.767 CV     1
 ASSI { 4516}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 42   and name HB# ))
      3.900     1.900     1.900 peak  4516 weight  0.10000E+01 volume  0.28317E-03 ppm1      1.107 ppm2      1.908 CV     1
 ASSI { 4519}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 44   and name HA# ))
      6.000     5.300     0.000 peak  4519 weight  0.10000E+01 volume  0.12285E-04 ppm1      1.105 ppm2      3.867 CV     1
 ASSI { 4521}
   (  segid "    " and resid 43   and name HG# )
   (( segid "    " and resid 112  and name HN  ))
      5.100     3.300     0.900 peak  4521 weight  0.10000E+01 volume  0.52649E-04 ppm1      1.107 ppm2      9.295 CV     1
 ASSI { 4531}
   (( segid "    " and resid 73   and name HD# ))
   (( segid "    " and resid 73   and name HB# ))
      2.900     1.000     1.000 peak  4531 weight  0.10000E+01 volume  0.17490E-02 ppm1      3.290 ppm2      2.112 CV     1
 ASSI { 4533}
   (( segid "    " and resid 25   and name HD# ))
   (( segid "    " and resid 26   and name HN  ))
      4.900     2.900     1.100 peak  4533 weight  0.10000E+01 volume  0.72986E-04 ppm1      1.576 ppm2      7.737 CV     1
 ASSI { 4535}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 40   and name HE# ))
      5.200     3.400     0.800 peak  4535 weight  0.10000E+01 volume  0.48726E-04 ppm1      2.321 ppm2      2.911 CV     1
 ASSI { 4536}
   (( segid "    " and resid 39   and name HB# ))
   (  segid "    " and resid 117  and name HE% )
      5.400     3.700     0.600 peak  4536 weight  0.10000E+01 volume  0.36544E-04 ppm1      2.330 ppm2      6.604 CV     1
 OR { 4536}
   (( segid "    " and resid 39   and name HB# ))
   (  segid "    " and resid 117  and name HD% )
 ASSI { 4537}
   (( segid "    " and resid 39   and name HB# ))
   (( segid "    " and resid 118  and name HA# ))
      4.500     2.500     1.500 peak  4537 weight  0.10000E+01 volume  0.12006E-03 ppm1      1.823 ppm2      3.700 CV     1
 ASSI { 4540}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 39   and name HG# ))
      3.600     1.600     1.600 peak  4540 weight  0.10000E+01 volume  0.46651E-03 ppm1      1.207 ppm2      2.010 CV     1
 ASSI { 4543}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 111  and name HA  ))
      3.900     1.900     1.900 peak  4543 weight  0.10000E+01 volume  0.25168E-03 ppm1      1.205 ppm2      6.716 CV     1
 ASSI { 4545}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 112  and name HN  ))
      4.200     2.200     1.800 peak  4545 weight  0.10000E+01 volume  0.16982E-03 ppm1      1.205 ppm2      9.294 CV     1
 ASSI { 4547}
   (  segid "    " and resid 38   and name HB% )
   (( segid "    " and resid 113  and name HN  ))
      4.800     2.900     1.200 peak  4547 weight  0.10000E+01 volume  0.73811E-04 ppm1      1.204 ppm2      9.439 CV     1
 ASSI { 4550}
   (( segid "    " and resid 37   and name HB# ))
   (( segid "    " and resid 36   and name HB# ))
      4.800     2.900     1.200 peak  4550 weight  0.10000E+01 volume  0.74844E-04 ppm1      1.568 ppm2      2.286 CV     1
 ASSI { 4552}
   (( segid "    " and resid 37   and name HD# ))
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.500     1.500 peak  4552 weight  0.10000E+01 volume  0.11325E-03 ppm1      1.490 ppm2      6.952 CV     1
 ASSI { 4553}
   (( segid "    " and resid 36   and name HB# ))
   (  segid "    " and resid 3    and name HE% )
      3.700     1.800     1.800 peak  4553 weight  0.10000E+01 volume  0.34635E-03 ppm1      1.898 ppm2      1.628 CV     1
 ASSI { 4555}
   (( segid "    " and resid 36   and name HB# ))
   (  segid "    " and resid 5    and name HE% )
      3.800     1.800     1.800 peak  4555 weight  0.10000E+01 volume  0.31755E-03 ppm1      2.286 ppm2      7.429 CV     1
 ASSI { 4557}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 62   and name HZ  ))
      5.100     3.200     0.900 peak  4557 weight  0.10000E+01 volume  0.56468E-04 ppm1      2.057 ppm2      6.253 CV     1
 ASSI { 4558}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 109  and name HG# )
      6.000     5.300     0.000 peak  4558 weight  0.10000E+01 volume  0.12697E-04 ppm1      2.054 ppm2      0.483 CV     1
 ASSI { 4561}
   (  segid "    " and resid 35   and name HG# )
   (  segid "    " and resid 5    and name HD% )
      4.100     2.100     1.900 peak  4561 weight  0.10000E+01 volume  0.19965E-03 ppm1      0.906 ppm2      7.217 CV     1
 OR { 4561}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 5    and name HZ  ))
 ASSI { 4566}
   (  segid "    " and resid 34   and name HG2# )
   (( segid "    " and resid 49   and name HG# ))
      3.400     1.400     1.400 peak  4566 weight  0.10000E+01 volume  0.61651E-03 ppm1      0.654 ppm2      1.544 CV     1
 ASSI { 4570}
   (( segid "    " and resid 34   and name HG1#))
   (( segid "    " and resid 34   and name HA  ))
      6.000     5.200     0.000 peak  4570 weight  0.10000E+01 volume  0.12904E-04 ppm1      0.118 ppm2      4.913 CV     1
 ASSI { 4572}
   (( segid "    " and resid 34   and name HG1#))
   (( segid "    " and resid 32   and name HA  ))
      5.100     3.200     0.900 peak  4572 weight  0.10000E+01 volume  0.55643E-04 ppm1      0.549 ppm2      5.141 CV     1
 ASSI { 4576}
   (  segid "    " and resid 33   and name HG# )
   (( segid "    " and resid 93   and name HG# ))
      5.100     3.300     0.900 peak  4576 weight  0.10000E+01 volume  0.53681E-04 ppm1      0.588 ppm2      2.183 CV     1
 ASSI { 4579}
   (( segid "    " and resid 40   and name HB# ))
   (( segid "    " and resid 41   and name HN  ))
      4.300     2.300     1.700 peak  4579 weight  0.10000E+01 volume  0.15247E-03 ppm1      1.870 ppm2      7.464 CV     1
 ASSI { 4582}
   (( segid "    " and resid 32   and name HB# ))
   (  segid "    " and resid 33   and name HG# )
      4.500     2.600     1.500 peak  4582 weight  0.10000E+01 volume  0.11046E-03 ppm1      1.866 ppm2      0.609 CV     1
 ASSI { 4585}
   (( segid "    " and resid 32   and name HB# ))
   (( segid "    " and resid 52   and name HG  ))
      5.000     3.100     1.000 peak  4585 weight  0.10000E+01 volume  0.61733E-04 ppm1      1.593 ppm2      1.068 CV     1
 ASSI { 4589}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 20   and name HA# ))
      4.200     2.200     1.800 peak  4589 weight  0.10000E+01 volume  0.16404E-03 ppm1      2.535 ppm2      3.086 CV     1
 ASSI { 4590}
   (( segid "    " and resid 32   and name HG# ))
   (( segid "    " and resid 24   and name HD# ))
      4.300     2.300     1.700 peak  4590 weight  0.10000E+01 volume  0.15000E-03 ppm1      2.534 ppm2      2.792 CV     1
 ASSI { 4592}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 93   and name HB# ))
      3.700     1.700     1.700 peak  4592 weight  0.10000E+01 volume  0.35884E-03 ppm1      1.397 ppm2      1.986 CV     1
 ASSI { 4593}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 32   and name HG# ))
      5.000     3.100     1.000 peak  4593 weight  0.10000E+01 volume  0.61424E-04 ppm1      1.378 ppm2      2.525 CV     1
 ASSI { 4595}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 95   and name HN  ))
      5.100     3.300     0.900 peak  4595 weight  0.10000E+01 volume  0.51823E-04 ppm1      0.407 ppm2      7.966 CV     1
 ASSI { 4597}
   (( segid "    " and resid 30   and name HB# ))
   (  segid "    " and resid 23   and name HG# )
      4.300     2.300     1.700 peak  4597 weight  0.10000E+01 volume  0.15825E-03 ppm1      1.430 ppm2      0.870 CV     1
 ASSI { 4602}
   (( segid "    " and resid 30   and name HD# ))
   (( segid "    " and resid 54   and name HD# ))
      4.400     2.400     1.600 peak  4602 weight  0.10000E+01 volume  0.13998E-03 ppm1      2.682 ppm2      3.997 CV     1
 ASSI { 4605}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 29   and name HN  ))
      5.500     3.800     0.500 peak  4605 weight  0.10000E+01 volume  0.33448E-04 ppm1      2.654 ppm2      8.567 CV     1
 ASSI { 4611}
   (( segid "    " and resid 26   and name HB# ))
   (( segid "    " and resid 25   and name HB# ))
      3.700     1.700     1.700 peak  4611 weight  0.10000E+01 volume  0.39631E-03 ppm1      1.484 ppm2      1.773 CV     1
 ASSI { 4613}
   (  segid "    " and resid 107  and name HD# )
   (( segid "    " and resid 101  and name HB# ))
      3.500     1.600     1.600 peak  4613 weight  0.10000E+01 volume  0.48189E-03 ppm1      0.880 ppm2      2.247 CV     1
 ASSI { 4619}
   (( segid "    " and resid 24   and name HD# ))
   (( segid "    " and resid 32   and name HG# ))
      3.900     1.900     1.900 peak  4619 weight  0.10000E+01 volume  0.27223E-03 ppm1      3.246 ppm2      2.535 CV     1
 ASSI { 4625}
   (( segid "    " and resid 23   and name HG1#))
   (( segid "    " and resid 22   and name HN  ))
      5.000     3.100     1.000 peak  4625 weight  0.10000E+01 volume  0.63592E-04 ppm1      1.201 ppm2      7.479 CV     1
 ASSI { 4628}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 23   and name HA  ))
      4.100     2.200     1.900 peak  4628 weight  0.10000E+01 volume  0.18696E-03 ppm1      1.914 ppm2      3.751 CV     1
 ASSI { 4633}
   (( segid "    " and resid 21   and name HB# ))
   (  segid "    " and resid 105  and name HD% )
      3.600     1.600     1.600 peak  4633 weight  0.10000E+01 volume  0.45216E-03 ppm1      1.923 ppm2      7.095 CV     1
 ASSI { 4638}
   (( segid "    " and resid 9    and name HG# ))
   (( segid "    " and resid 5    and name HB# ))
      5.200     3.400     0.800 peak  4638 weight  0.10000E+01 volume  0.47590E-04 ppm1      2.351 ppm2      3.075 CV     1
 ASSI { 4639}
   (( segid "    " and resid 57   and name HB# ))
   (( segid "    " and resid 93   and name HN  ))
      4.900     3.000     1.100 peak  4639 weight  0.10000E+01 volume  0.68547E-04 ppm1      1.713 ppm2      9.364 CV     1
 ASSI { 4644}
   (( segid "    " and resid 57   and name HG  ))
   (( segid "    " and resid 62   and name HB# ))
      4.500     2.500     1.500 peak  4644 weight  0.10000E+01 volume  0.11232E-03 ppm1      2.044 ppm2      3.251 CV     1
 ASSI { 4649}
   (  segid "    " and resid 57   and name HD# )
   (( segid "    " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak  4649 weight  0.10000E+01 volume  0.19253E-03 ppm1      0.996 ppm2      8.111 CV     1
 ASSI { 4652}
   (  segid "    " and resid 72   and name HD# )
   (( segid "    " and resid 43   and name HB  ))
      4.400     2.400     1.600 peak  4652 weight  0.10000E+01 volume  0.13926E-03 ppm1      0.847 ppm2      2.062 CV     1
 ASSI { 4656}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 63   and name HB# ))
      4.200     2.200     1.800 peak  4656 weight  0.10000E+01 volume  0.16466E-03 ppm1      0.817 ppm2      3.098 CV     1
 ASSI { 4658}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 43   and name HB  ))
      3.700     1.800     1.800 peak  4658 weight  0.10000E+01 volume  0.34335E-03 ppm1      0.821 ppm2      2.059 CV     1
 ASSI { 4660}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 67   and name HB# ))
      3.500     1.500     1.500 peak  4660 weight  0.10000E+01 volume  0.56045E-03 ppm1      0.823 ppm2      1.623 CV     1
 ASSI { 4664}
   (  segid "    " and resid 78   and name HD# )
   (( segid "    " and resid 80   and name HZ  ))
      4.000     2.000     2.000 peak  4664 weight  0.10000E+01 volume  0.23774E-03 ppm1      0.821 ppm2      6.412 CV     1
 ASSI { 4671}
   (  segid "    " and resid 77   and name HB% )
   (( segid "    " and resid 113  and name HN  ))
      6.000     5.100     0.000 peak  4671 weight  0.10000E+01 volume  0.13936E-04 ppm1      1.433 ppm2      9.429 CV     1
 ASSI { 4681}
   (( segid "    " and resid 62   and name HB# ))
   (  segid "    " and resid 62   and name HE% )
      3.900     1.900     1.900 peak  4681 weight  0.10000E+01 volume  0.25158E-03 ppm1      3.268 ppm2      6.541 CV     1
 ASSI { 4684}
   (( segid "    " and resid 64   and name HB# ))
   (( segid "    " and resid 61   and name HG# ))
      4.100     2.100     1.900 peak  4684 weight  0.10000E+01 volume  0.19459E-03 ppm1      3.302 ppm2      2.489 CV     1
 ASSI { 4685}
   (( segid "    " and resid 63   and name HB# ))
   (( segid "    " and resid 66   and name HN  ))
      5.300     3.500     0.700 peak  4685 weight  0.10000E+01 volume  0.43668E-04 ppm1      3.101 ppm2      7.834 CV     1
 ASSI { 4687}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 119  and name HB# ))
      6.000     5.400     0.000 peak  4687 weight  0.10000E+01 volume  0.11872E-04 ppm1      2.556 ppm2      1.441 CV     1
 OR { 4687}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 119  and name HG  ))
 ASSI { 4688}
   (( segid "    " and resid 117  and name HB# ))
   (( segid "    " and resid 119  and name HB# ))
      5.200     3.300     0.800 peak  4688 weight  0.10000E+01 volume  0.49965E-04 ppm1      1.925 ppm2      1.510 CV     1
 ASSI { 4693}
   (( segid "    " and resid 102  and name HG# ))
   (( segid "    " and resid 102  and name HN  ))
      3.500     1.600     1.600 peak  4693 weight  0.10000E+01 volume  0.47735E-03 ppm1      3.040 ppm2      8.824 CV     1
 ASSI { 4694}
   (( segid "    " and resid 76   and name HB# ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.200     1.800 peak  4694 weight  0.10000E+01 volume  0.16518E-03 ppm1      2.759 ppm2      4.491 CV     1
 ASSI { 4695}
   (( segid "    " and resid 26   and name HE# ))
   (( segid "    " and resid 26   and name HA  ))
      5.000     3.100     1.000 peak  4695 weight  0.10000E+01 volume  0.62250E-04 ppm1      2.761 ppm2      3.791 CV     1
 ASSI { 4706}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 102  and name HB# ))
      4.900     3.000     1.100 peak  4706 weight  0.10000E+01 volume  0.67101E-04 ppm1      2.273 ppm2      2.700 CV     1
 ASSI { 4707}
   (( segid "    " and resid 101  and name HB# ))
   (( segid "    " and resid 105  and name HA  ))
      5.100     3.200     0.900 peak  4707 weight  0.10000E+01 volume  0.54714E-04 ppm1      2.081 ppm2      3.582 CV     1
 ASSI { 4711}
   (  segid "    " and resid 93   and name HE% )
   (( segid "    " and resid 96   and name HB# ))
      4.000     2.000     2.000 peak  4711 weight  0.10000E+01 volume  0.24312E-03 ppm1      0.985 ppm2      1.592 CV     1
 ASSI { 4714}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 4    and name HN  ))
      4.200     2.200     1.800 peak  4714 weight  0.10000E+01 volume  0.18561E-03 ppm1      1.625 ppm2      8.066 CV     1
 ASSI { 4715}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 32   and name HG# ))
      5.300     3.500     0.700 peak  4715 weight  0.10000E+01 volume  0.42016E-04 ppm1      1.813 ppm2      2.529 CV     1
 ASSI { 4716}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 7    and name HB# ))
      6.000     5.000     0.000 peak  4716 weight  0.10000E+01 volume  0.14556E-04 ppm1      2.249 ppm2      3.501 CV     1
 ASSI { 4717}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 10   and name HN  ))
      5.300     3.500     0.700 peak  4717 weight  0.10000E+01 volume  0.43668E-04 ppm1      1.003 ppm2      8.080 CV     1
 ASSI { 4720}
   (  segid "    " and resid 85   and name HG# )
   (( segid "    " and resid 88   and name HD# ))
      4.400     2.400     1.600 peak  4720 weight  0.10000E+01 volume  0.14019E-03 ppm1      0.981 ppm2      3.980 CV     1
 ASSI { 4724}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 10   and name HG# ))
      4.300     2.300     1.700 peak  4724 weight  0.10000E+01 volume  0.15557E-03 ppm1      3.507 ppm2      2.208 CV     1
 ASSI { 4725}
   (( segid "    " and resid 7    and name HB# ))
   (  segid "    " and resid 34   and name HD# )
      4.900     2.900     1.100 peak  4725 weight  0.10000E+01 volume  0.73089E-04 ppm1      3.513 ppm2     -0.575 CV     1
 ASSI { 4727}
   (( segid "    " and resid 56   and name HB# ))
   (( segid "    " and resid 57   and name HA  ))
      4.700     2.700     1.300 peak  4727 weight  0.10000E+01 volume  0.90123E-04 ppm1      2.801 ppm2      4.266 CV     1
 ASSI { 4734}
   (( segid "    " and resid 7    and name HB# ))
   (( segid "    " and resid 49   and name HG# ))
      3.700     1.700     1.700 peak  4734 weight  0.10000E+01 volume  0.35512E-03 ppm1      2.715 ppm2      1.618 CV     1
 ASSI { 4738}
   (( segid "    " and resid 113  and name HB# ))
   (( segid "    " and resid 114  and name HB# ))
      3.900     1.900     1.900 peak  4738 weight  0.10000E+01 volume  0.26738E-03 ppm1      3.089 ppm2      1.863 CV     1
 ASSI { 4742}
   (( segid "    " and resid 79   and name HB# ))
   (( segid "    " and resid 115  and name HA  ))
      5.000     3.200     1.000 peak  4742 weight  0.10000E+01 volume  0.59359E-04 ppm1      2.534 ppm2      3.415 CV     1
 ASSI { 4743}
   (( segid "    " and resid 45   and name HB# ))
   (( segid "    " and resid 44   and name HA# ))
      4.900     3.000     1.100 peak  4743 weight  0.10000E+01 volume  0.68547E-04 ppm1      2.737 ppm2      4.101 CV     1
 ASSI { 4745}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 64   and name HN  ))
      5.000     3.200     1.000 peak  4745 weight  0.10000E+01 volume  0.59359E-04 ppm1      3.936 ppm2      7.349 CV     1
 OR { 4745}
   (( segid "    " and resid 60   and name HA# ))
   (  segid "    " and resid 64   and name HD% )
 ASSI { 4746}
   (( segid "    " and resid 60   and name HA# ))
   (( segid "    " and resid 64   and name HN  ))
      4.800     2.900     1.200 peak  4746 weight  0.10000E+01 volume  0.77322E-04 ppm1      4.092 ppm2      7.359 CV     1
 OR { 4746}
   (( segid "    " and resid 60   and name HA# ))
   (  segid "    " and resid 64   and name HD% )
 ASSI { 4747}
   (( segid "    " and resid 20   and name HA# ))
   (  segid "    " and resid 105  and name HD% )
      5.300     3.500     0.700 peak  4747 weight  0.10000E+01 volume  0.42739E-04 ppm1      3.087 ppm2      7.077 CV     1
 ASSI { 4749}
   (( segid "    " and resid 94   and name HA# ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     5.200     0.000 peak  4749 weight  0.10000E+01 volume  0.13524E-04 ppm1      3.710 ppm2      7.397 CV     1
 ASSI { 4752}
   (( segid "    " and resid 118  and name HA# ))
   (  segid "    " and resid 116  and name HG# )
      4.200     2.200     1.800 peak  4752 weight  0.10000E+01 volume  0.18417E-03 ppm1      3.695 ppm2      0.754 CV     1
 ASSI { 4754}
   (( segid "    " and resid 8    and name HB# ))
   (  segid "    " and resid 108  and name HD% )
      6.000     5.200     0.000 peak  4754 weight  0.10000E+01 volume  0.13214E-04 ppm1      1.437 ppm2      6.315 CV     1
 ASSI { 4756}
   (( segid "    " and resid 16   and name HG# ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.300     0.000 peak  4756 weight  0.10000E+01 volume  0.12697E-04 ppm1      1.428 ppm2      9.565 CV     1
 ASSI { 4758}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      4.100     2.100     1.900 peak  4758 weight  0.10000E+01 volume  0.21225E-03 ppm1      4.158 ppm2      1.801 CV     1
 ASSI { 4763}
   (( segid "    " and resid 28   and name HD# ))
   (( segid "    " and resid 25   and name HB# ))
      6.000     4.900     0.000 peak  4763 weight  0.10000E+01 volume  0.16001E-04 ppm1      3.286 ppm2      1.723 CV     1
 ASSI { 4766}
   (( segid "    " and resid 88   and name HD# ))
   (( segid "    " and resid 91   and name HN  ))
      5.900     4.400     0.100 peak  4766 weight  0.10000E+01 volume  0.21988E-04 ppm1      3.585 ppm2      7.280 CV     1
 ASSI { 4767}
   (( segid "    " and resid 39   and name HD# ))
   (  segid "    " and resid 119  and name HD# )
      6.000     5.000     0.000 peak  4767 weight  0.10000E+01 volume  0.14762E-04 ppm1      3.851 ppm2      0.794 CV     1
 ASSI { 4771}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      4.300     2.300     1.700 peak  4771 weight  0.10000E+01 volume  0.15351E-03 ppm1      4.418 ppm2      3.051 CV     1
 ASSI { 4776}
   (( segid "    " and resid 54   and name HD# ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.600     0.000 peak  4776 weight  0.10000E+01 volume  0.18995E-04 ppm1      4.003 ppm2      8.382 CV     1
 ASSI { 4780}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 63   and name HE% )
      3.500     1.500     1.500 peak  4780 weight  0.10000E+01 volume  0.52339E-03 ppm1      6.023 ppm2      6.138 CV     1
 ASSI { 4793}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 106  and name HB# ))
      4.200     2.200     1.800 peak  4793 weight  0.10000E+01 volume  0.16930E-03 ppm1      4.133 ppm2      2.022 CV     1
 ASSI { 4795}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.300     0.000 peak  4795 weight  0.10000E+01 volume  0.12285E-04 ppm1      4.137 ppm2      7.617 CV     1
 ASSI { 4803}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.600     2.600     1.400 peak  4803 weight  0.10000E+01 volume  0.10540E-03 ppm1      5.092 ppm2      7.740 CV     1
 ASSI { 4807}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      3.900     1.900     1.900 peak  4807 weight  0.10000E+01 volume  0.26107E-03 ppm1      5.104 ppm2      3.790 CV     1
 ASSI { 4822}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 49   and name HB# ))
      3.600     1.600     1.600 peak  4822 weight  0.10000E+01 volume  0.42398E-03 ppm1      4.977 ppm2      1.939 CV     1
 ASSI { 4826}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 70   and name HD# )
      4.100     2.100     1.900 peak  4826 weight  0.10000E+01 volume  0.19584E-03 ppm1      4.554 ppm2      0.478 CV     1
 ASSI { 4828}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 113  and name HB# ))
      4.700     2.800     1.300 peak  4828 weight  0.10000E+01 volume  0.85477E-04 ppm1      4.555 ppm2      2.694 CV     1
 ASSI { 4833}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      5.500     3.700     0.500 peak  4833 weight  0.10000E+01 volume  0.35925E-04 ppm1      4.559 ppm2      8.451 CV     1
 ASSI { 4838}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 112  and name HB# ))
      5.000     3.100     1.000 peak  4838 weight  0.10000E+01 volume  0.60391E-04 ppm1      6.710 ppm2      4.264 CV     1
 ASSI { 4839}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 79   and name HB# ))
      4.700     2.800     1.300 peak  4839 weight  0.10000E+01 volume  0.87748E-04 ppm1      6.716 ppm2      2.633 CV     1
 ASSI { 4845}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 75   and name HB# ))
      4.300     2.300     1.700 peak  4845 weight  0.10000E+01 volume  0.15702E-03 ppm1      4.356 ppm2      1.974 CV     1
 ASSI { 4850}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB# ))
      3.800     1.800     1.800 peak  4850 weight  0.10000E+01 volume  0.32570E-03 ppm1      4.405 ppm2      1.847 CV     1
 ASSI { 4857}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 67   and name HG# ))
      4.200     2.200     1.800 peak  4857 weight  0.10000E+01 volume  0.16527E-03 ppm1      3.856 ppm2      1.535 CV     1
 ASSI { 4863}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 83   and name HA  ))
      3.500     1.600     1.600 peak  4863 weight  0.10000E+01 volume  0.49882E-03 ppm1      4.052 ppm2      4.323 CV     1
 ASSI { 4864}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 81   and name HA  ))
      5.000     3.100     1.000 peak  4864 weight  0.10000E+01 volume  0.63592E-04 ppm1      4.050 ppm2      5.080 CV     1
 ASSI { 4870}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 38   and name HB% )
      4.400     2.400     1.600 peak  4870 weight  0.10000E+01 volume  0.12667E-03 ppm1      4.217 ppm2      1.203 CV     1
 ASSI { 4877}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 109  and name HD# )
      5.200     3.400     0.800 peak  4877 weight  0.10000E+01 volume  0.45835E-04 ppm1      4.353 ppm2      0.291 CV     1
 ASSI { 4880}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HB# ))
      5.100     3.200     0.900 peak  4880 weight  0.10000E+01 volume  0.55436E-04 ppm1      3.074 ppm2      1.881 CV     1
 ASSI { 4881}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HB# ))
      4.500     2.500     1.500 peak  4881 weight  0.10000E+01 volume  0.11469E-03 ppm1      3.072 ppm2      2.267 CV     1
 ASSI { 4885}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      4.800     2.900     1.200 peak  4885 weight  0.10000E+01 volume  0.77528E-04 ppm1      4.039 ppm2      8.298 CV     1
 ASSI { 4889}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HB# ))
      4.500     2.500     1.500 peak  4889 weight  0.10000E+01 volume  0.11294E-03 ppm1      4.464 ppm2      1.263 CV     1
 ASSI { 4890}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HG# ))
      4.300     2.300     1.700 peak  4890 weight  0.10000E+01 volume  0.15526E-03 ppm1      4.467 ppm2      1.020 CV     1
 ASSI { 4894}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 55   and name HB# ))
      3.800     1.800     1.800 peak  4894 weight  0.10000E+01 volume  0.30041E-03 ppm1      4.161 ppm2      3.647 CV     1
 ASSI { 4895}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 107  and name HG  ))
      4.400     2.400     1.600 peak  4895 weight  0.10000E+01 volume  0.13276E-03 ppm1      4.262 ppm2      0.752 CV     1
 ASSI { 4901}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 107  and name HG  ))
      4.100     2.100     1.900 peak  4901 weight  0.10000E+01 volume  0.20327E-03 ppm1      4.257 ppm2      0.771 CV     1
 ASSI { 4903}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 88   and name HB# ))
      4.200     2.300     1.800 peak  4903 weight  0.10000E+01 volume  0.16249E-03 ppm1      4.427 ppm2      2.048 CV     1
 ASSI { 4904}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      4.900     3.000     1.100 peak  4904 weight  0.10000E+01 volume  0.71747E-04 ppm1      4.433 ppm2      8.598 CV     1
 ASSI { 4905}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      4.800     2.900     1.200 peak  4905 weight  0.10000E+01 volume  0.78561E-04 ppm1      3.973 ppm2      8.057 CV     1
 ASSI { 4907}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 98   and name HB# ))
      4.800     2.900     1.200 peak  4907 weight  0.10000E+01 volume  0.76289E-04 ppm1      3.966 ppm2      2.325 CV     1
 ASSI { 4909}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 28   and name HG# ))
      6.000     4.700     0.000 peak  4909 weight  0.10000E+01 volume  0.17962E-04 ppm1      3.816 ppm2      1.955 CV     1
 ASSI { 4915}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      4.100     2.100     1.900 peak  4915 weight  0.10000E+01 volume  0.19191E-03 ppm1      4.445 ppm2      7.851 CV     1
 ASSI { 4919}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HE# ))
      4.800     2.800     1.200 peak  4919 weight  0.10000E+01 volume  0.80728E-04 ppm1      4.005 ppm2      2.853 CV     1
 ASSI { 4920}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      5.000     3.100     1.000 peak  4920 weight  0.10000E+01 volume  0.60082E-04 ppm1      3.402 ppm2      9.152 CV     1
 ASSI { 4921}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 116  and name HA  ))
      4.900     3.000     1.100 peak  4921 weight  0.10000E+01 volume  0.66172E-04 ppm1      3.391 ppm2      4.148 CV     1
 ASSI { 4923}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 114  and name HG# ))
      4.400     2.400     1.600 peak  4923 weight  0.10000E+01 volume  0.12697E-03 ppm1      3.399 ppm2      2.239 CV     1
 ASSI { 4924}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 114  and name HB# ))
      5.200     3.300     0.800 peak  4924 weight  0.10000E+01 volume  0.50378E-04 ppm1      3.397 ppm2      2.055 CV     1
 ASSI { 4926}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
      6.000     5.100     0.000 peak  4926 weight  0.10000E+01 volume  0.14349E-04 ppm1      5.201 ppm2      6.883 CV     1
 ASSI { 4927}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 80   and name HB# ))
      4.600     2.600     1.400 peak  4927 weight  0.10000E+01 volume  0.10478E-03 ppm1      5.205 ppm2      2.793 CV     1
 ASSI { 4928}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 79   and name HB# ))
      4.900     3.000     1.100 peak  4928 weight  0.10000E+01 volume  0.66276E-04 ppm1      5.207 ppm2      2.585 CV     1
 ASSI { 4929}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 98   and name HG# ))
      4.000     2.000     2.000 peak  4929 weight  0.10000E+01 volume  0.24672E-03 ppm1      3.993 ppm2      2.603 CV     1
 ASSI { 4932}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.900     1.200 peak  4932 weight  0.10000E+01 volume  0.74638E-04 ppm1      4.199 ppm2      8.066 CV     1
 ASSI { 4937}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      4.500     2.500     1.500 peak  4937 weight  0.10000E+01 volume  0.12212E-03 ppm1      3.937 ppm2      8.554 CV     1
 ASSI { 4938}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 65   and name HB# ))
      4.100     2.100     1.900 peak  4938 weight  0.10000E+01 volume  0.18902E-03 ppm1      4.282 ppm2      1.835 CV     1
 ASSI { 4949}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 98   and name HG# ))
      3.600     1.600     1.600 peak  4949 weight  0.10000E+01 volume  0.44060E-03 ppm1      4.155 ppm2      2.602 CV     1
 ASSI { 4950}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 99   and name HB# ))
      6.000     4.400     0.000 peak  4950 weight  0.10000E+01 volume  0.21266E-04 ppm1      4.154 ppm2      1.799 CV     1
 ASSI { 4954}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 105  and name HD% )
      4.700     2.800     1.300 peak  4954 weight  0.10000E+01 volume  0.84754E-04 ppm1      4.067 ppm2      7.092 CV     1
 ASSI { 4957}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB# ))
      4.900     3.000     1.100 peak  4957 weight  0.10000E+01 volume  0.68443E-04 ppm1      5.114 ppm2      1.606 CV     1
 ASSI { 4961}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HG# ))
      4.900     3.000     1.100 peak  4961 weight  0.10000E+01 volume  0.68960E-04 ppm1      3.186 ppm2      1.456 CV     1
 ASSI { 4966}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      4.700     2.800     1.300 peak  4966 weight  0.10000E+01 volume  0.84444E-04 ppm1      4.112 ppm2      8.319 CV     1
 ASSI { 4969}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HA# ))
      6.000     4.800     0.000 peak  4969 weight  0.10000E+01 volume  0.16311E-04 ppm1      4.114 ppm2      3.059 CV     1
 ASSI { 4970}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      4.400     2.400     1.600 peak  4970 weight  0.10000E+01 volume  0.13048E-03 ppm1      4.118 ppm2      3.876 CV     1
 ASSI { 4972}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HG# ))
      3.200     1.300     1.300 peak  4972 weight  0.10000E+01 volume  0.80832E-03 ppm1      3.886 ppm2      1.620 CV     1
 OR { 4972}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HB# ))
 ASSI { 4974}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HE# ))
      6.000     4.900     0.000 peak  4974 weight  0.10000E+01 volume  0.15898E-04 ppm1      3.889 ppm2      2.885 CV     1
 ASSI { 4976}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HB# ))
      6.000     5.100     0.000 peak  4976 weight  0.10000E+01 volume  0.13730E-04 ppm1      3.886 ppm2      1.215 CV     1
 ASSI { 4977}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HG# ))
      6.000     4.900     0.000 peak  4977 weight  0.10000E+01 volume  0.15795E-04 ppm1      5.725 ppm2      2.596 CV     1
 ASSI { 4978}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     5.000     0.000 peak  4978 weight  0.10000E+01 volume  0.15278E-04 ppm1      5.726 ppm2      4.930 CV     1
 ASSI { 4979}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 111  and name HD% )
      4.700     2.700     1.300 peak  4979 weight  0.10000E+01 volume  0.93735E-04 ppm1      5.728 ppm2      6.815 CV     1
 ASSI { 4981}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 5    and name HE% )
      4.600     2.700     1.400 peak  4981 weight  0.10000E+01 volume  0.95387E-04 ppm1      5.727 ppm2      7.404 CV     1
 ASSI { 4982}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      4.800     2.900     1.200 peak  4982 weight  0.10000E+01 volume  0.78148E-04 ppm1      5.729 ppm2      8.547 CV     1
 ASSI { 4983}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 81   and name HB# ))
      3.200     1.300     1.300 peak  4983 weight  0.10000E+01 volume  0.90185E-03 ppm1      4.558 ppm2      2.668 CV     1
 ASSI { 4992}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HD# ))
      4.800     2.900     1.200 peak  4992 weight  0.10000E+01 volume  0.78457E-04 ppm1      3.764 ppm2      1.775 CV     1
 ASSI { 4995}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 42   and name HB# ))
      4.200     2.200     1.800 peak  4995 weight  0.10000E+01 volume  0.16971E-03 ppm1      4.453 ppm2      1.889 CV     1
 ASSI { 5000}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak  5000 weight  0.10000E+01 volume  0.59297E-03 ppm1      3.702 ppm2      8.247 CV     1
 ASSI { 5001}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 93   and name HG# ))
      4.200     2.200     1.800 peak  5001 weight  0.10000E+01 volume  0.16703E-03 ppm1      3.695 ppm2      2.209 CV     1
 ASSI { 5002}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 57   and name HB# ))
      5.300     3.600     0.700 peak  5002 weight  0.10000E+01 volume  0.40984E-04 ppm1      3.697 ppm2      1.690 CV     1
 ASSI { 5005}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HB# ))
      6.000     4.800     0.000 peak  5005 weight  0.10000E+01 volume  0.16930E-04 ppm1      3.701 ppm2      2.807 CV     1
 ASSI { 5015}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      5.900     4.300     0.100 peak  5015 weight  0.10000E+01 volume  0.23640E-04 ppm1      3.608 ppm2      3.202 CV     1
 ASSI { 5016}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 24   and name HD# ))
      5.200     3.300     0.800 peak  5016 weight  0.10000E+01 volume  0.50688E-04 ppm1      3.611 ppm2      2.802 CV     1
 ASSI { 5021}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      4.000     2.000     2.000 peak  5021 weight  0.10000E+01 volume  0.21875E-03 ppm1      4.469 ppm2      7.814 CV     1
 ASSI { 5022}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HB# ))
      4.100     2.100     1.900 peak  5022 weight  0.10000E+01 volume  0.20234E-03 ppm1      4.185 ppm2      3.463 CV     1
 ASSI { 5026}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG# ))
      3.200     1.300     1.300 peak  5026 weight  0.10000E+01 volume  0.87593E-03 ppm1      3.431 ppm2      1.911 CV     1
 OR { 5026}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB# ))
 ASSI { 5031}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 111  and name HD% )
      6.000     5.000     0.000 peak  5031 weight  0.10000E+01 volume  0.14969E-04 ppm1      3.431 ppm2      6.846 CV     1
 ASSI { 5036}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
      5.200     3.300     0.800 peak  5036 weight  0.10000E+01 volume  0.50481E-04 ppm1      4.041 ppm2      3.412 CV     1
 ASSI { 5037}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HB# ))
      4.400     2.500     1.600 peak  5037 weight  0.10000E+01 volume  0.12305E-03 ppm1      4.031 ppm2      1.823 CV     1
 OR { 5037}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HG  ))
 ASSI { 5042}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HG# ))
      4.200     2.200     1.800 peak  5042 weight  0.10000E+01 volume  0.17354E-03 ppm1      4.365 ppm2      2.183 CV     1
 ASSI { 5043}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HG# ))
      4.400     2.400     1.600 peak  5043 weight  0.10000E+01 volume  0.13059E-03 ppm1      4.362 ppm2      1.848 CV     1
 ASSI { 5045}
   (( segid "    " and resid 115  and name HB# ))
   (( segid "    " and resid 79   and name HB# ))
      3.400     1.500     1.500 peak  5045 weight  0.10000E+01 volume  0.57986E-03 ppm1      3.490 ppm2      2.614 CV     1
 ASSI { 5048}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 56   and name HN  ))
      3.900     1.900     1.900 peak  5048 weight  0.10000E+01 volume  0.25230E-03 ppm1      3.658 ppm2      8.253 CV     1
 ASSI { 5049}
   (( segid "    " and resid 55   and name HB# ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     1.600     1.600 peak  5049 weight  0.10000E+01 volume  0.43472E-03 ppm1      3.726 ppm2      8.239 CV     1
 ASSI { 5050}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      4.700     2.800     1.300 peak  5050 weight  0.10000E+01 volume  0.84238E-04 ppm1      3.964 ppm2      8.868 CV     1
 ASSI { 5052}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 17   and name HD# ))
      6.000     4.800     0.000 peak  5052 weight  0.10000E+01 volume  0.16723E-04 ppm1      3.967 ppm2      3.346 CV     1
 ASSI { 5056}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 101  and name HA  ))
      4.300     2.300     1.700 peak  5056 weight  0.10000E+01 volume  0.15340E-03 ppm1      3.860 ppm2      4.253 CV     1
 ASSI { 5063}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      4.600     2.600     1.400 peak  5063 weight  0.10000E+01 volume  0.10654E-03 ppm1      4.480 ppm2      7.443 CV     1
 ASSI { 5066}
   (( segid "    " and resid 90   and name HB# ))
   (( segid "    " and resid 89   and name HB  ))
      3.400     1.500     1.500 peak  5066 weight  0.10000E+01 volume  0.56509E-03 ppm1      3.910 ppm2      4.238 CV     1
 ASSI { 5067}
   (( segid "    " and resid 90   and name HB# ))
   (( segid "    " and resid 89   and name HB  ))
      3.500     1.500     1.500 peak  5067 weight  0.10000E+01 volume  0.50935E-03 ppm1      4.109 ppm2      4.238 CV     1
 ASSI { 5070}
   (( segid "    " and resid 2    and name HB# ))
   (( segid "    " and resid 3    and name HG# ))
      4.200     2.200     1.800 peak  5070 weight  0.10000E+01 volume  0.18520E-03 ppm1      3.834 ppm2      2.176 CV     1
 ASSI { 5071}
   (( segid "    " and resid 2    and name HB# ))
   (( segid "    " and resid 4    and name HG# ))
      5.100     3.200     0.900 peak  5071 weight  0.10000E+01 volume  0.56675E-04 ppm1      3.831 ppm2      1.208 CV     1
 ASSI { 5073}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HB# ))
      5.000     3.200     1.000 peak  5073 weight  0.10000E+01 volume  0.57810E-04 ppm1      4.444 ppm2      1.128 CV     1
 ASSI { 5078}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 24   and name HD# ))
      6.000     4.600     0.000 peak  5078 weight  0.10000E+01 volume  0.19304E-04 ppm1      4.442 ppm2      2.824 CV     1
 ASSI { 5084}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 20   and name HA# ))
      5.500     3.800     0.500 peak  5084 weight  0.10000E+01 volume  0.33654E-04 ppm1      3.759 ppm2      3.075 CV     1
 ASSI { 5088}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 60   and name HA# ))
      3.900     1.900     1.900 peak  5088 weight  0.10000E+01 volume  0.28771E-03 ppm1      3.877 ppm2      4.112 CV     1
 ASSI { 5090}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 87   and name HG# ))
      6.000     5.000     0.000 peak  5090 weight  0.10000E+01 volume  0.14453E-04 ppm1      3.884 ppm2      2.151 CV     1
 OR { 5090}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 87   and name HB# ))
 ASSI { 5091}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 91   and name HB% )
      4.900     3.000     1.100 peak  5091 weight  0.10000E+01 volume  0.71127E-04 ppm1      3.885 ppm2      1.517 CV     1
 ASSI { 5093}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 118  and name HA# ))
      5.200     3.400     0.800 peak  5093 weight  0.10000E+01 volume  0.46765E-04 ppm1      4.242 ppm2      3.683 CV     1
 ASSI { 5098}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 38   and name HA  ))
      4.000     2.000     2.000 peak  5098 weight  0.10000E+01 volume  0.23330E-03 ppm1      3.922 ppm2      4.399 CV     1
 ASSI { 5100}
   (( segid "    " and resid 112  and name HB# ))
   (( segid "    " and resid 114  and name HB# ))
      4.100     2.100     1.900 peak  5100 weight  0.10000E+01 volume  0.19140E-03 ppm1      3.928 ppm2      1.868 CV     1
 ASSI { 5102}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      4.800     2.800     1.200 peak  5102 weight  0.10000E+01 volume  0.82587E-04 ppm1      3.715 ppm2     10.534 CV     1
 ASSI { 5108}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 80   and name HE% )
      4.500     2.600     1.500 peak  5108 weight  0.10000E+01 volume  0.11056E-03 ppm1      3.681 ppm2      6.653 CV     1
 ASSI { 5110}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.800     0.000 peak  5110 weight  0.10000E+01 volume  0.16518E-04 ppm1      3.678 ppm2      8.720 CV     1
 ASSI { 5121}
   (( segid "    " and resid 78   and name HB# ))
   (( segid "    " and resid 80   and name HZ  ))
      5.300     3.500     0.700 peak  5121 weight  0.10000E+01 volume  0.44700E-04 ppm1      1.110 ppm2      6.419 CV     1
 ASSI { 5125}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 19   and name HG# ))
      4.100     2.100     1.900 peak  5125 weight  0.10000E+01 volume  0.19646E-03 ppm1      2.772 ppm2      2.438 CV     1
 ASSI { 5126}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 19   and name HB# ))
      4.000     2.000     2.000 peak  5126 weight  0.10000E+01 volume  0.24508E-03 ppm1      2.770 ppm2      2.345 CV     1
 OR { 5126}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 19   and name HG# ))
 ASSI { 5127}
   (( segid "    " and resid 50   and name HE# ))
   (( segid "    " and resid 19   and name HB# ))
      4.400     2.400     1.600 peak  5127 weight  0.10000E+01 volume  0.12956E-03 ppm1      2.772 ppm2      2.256 CV     1
 ASSI { 5129}
   (( segid "    " and resid 106  and name HB# ))
   (  segid "    " and resid 106  and name HE% )
      4.700     2.700     1.300 peak  5129 weight  0.10000E+01 volume  0.92290E-04 ppm1      2.019 ppm2      7.223 CV     1
 ASSI { 5133}
   (( segid "    " and resid 16   and name HD# ))
   (  segid "    " and resid 106  and name HE% )
      4.100     2.100     1.900 peak  5133 weight  0.10000E+01 volume  0.20161E-03 ppm1      2.303 ppm2      7.221 CV     1
 ASSI { 5136}
   (( segid "    " and resid 8    and name HG# ))
   (( segid "    " and resid 34   and name HB  ))
      4.000     2.000     2.000 peak  5136 weight  0.10000E+01 volume  0.22835E-03 ppm1      2.310 ppm2      1.275 CV     1
 ASSI { 5137}
   (( segid "    " and resid 8    and name HG# ))
   (( segid "    " and resid 5    and name HB# ))
      5.200     3.400     0.800 peak  5137 weight  0.10000E+01 volume  0.46868E-04 ppm1      2.316 ppm2      2.622 CV     1
 ASSI { 5143}
   (( segid "    " and resid 32   and name HG# ))
   (  segid "    " and resid 106  and name HD% )
      5.500     3.800     0.500 peak  5143 weight  0.10000E+01 volume  0.34687E-04 ppm1      1.432 ppm2      6.859 CV     1
 ASSI { 5153}
   (( segid "    " and resid 67   and name HG# ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  5153 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.170 ppm2      7.809 CV     1
 ASSI { 5155}
   (( segid "    " and resid 80   and name HB# ))
   (  segid "    " and resid 63   and name HE% )
      6.000     4.500     0.000 peak  5155 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.810 ppm2      6.150 CV     1
 ASSI { 5157}
   (( segid "    " and resid 19   and name HB# ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  5157 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      4.251 CV     1
 ASSI { 5159}
   (( segid "    " and resid 80   and name HB# ))
   (  segid "    " and resid 89   and name HG# )
      6.000     4.500     0.000 peak  5159 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.839 ppm2      1.351 CV     1
 ASSI { 5164}
   (( segid "    " and resid 22   and name HB# ))
   (( segid "    " and resid 22   and name HE# ))
      5.300     3.500     0.700 peak  5164 weight  0.10000E+01 volume  0.45113E-04 ppm1      1.909 ppm2      2.949 CV     1
 ASSI { 5178}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 15   and name HD# ))
      4.100     2.100     1.900 peak  5178 weight  0.10000E+01 volume  0.21380E-03 ppm1      3.717 ppm2      1.786 CV     1
 ASSI { 5186}
   (( segid "    " and resid 12   and name HD# ))
   (( segid "    " and resid 15   and name HG# ))
      5.400     3.700     0.600 peak  5186 weight  0.10000E+01 volume  0.37164E-04 ppm1      4.011 ppm2      1.579 CV     1
 ASSI { 5189}
   (( segid "    " and resid 102  and name HG# ))
   (( segid "    " and resid 100  and name HB# ))
      3.200     1.300     1.300 peak  5189 weight  0.10000E+01 volume  0.82391E-03 ppm1      2.442 ppm2      3.056 CV     1
 ASSI { 5192}
   (( segid "    " and resid 102  and name HG# ))
   (( segid "    " and resid 103  and name HN  ))
      5.400     3.700     0.600 peak  5192 weight  0.10000E+01 volume  0.36441E-04 ppm1      2.448 ppm2      7.855 CV     1
 ASSI { 5195}
   (( segid "    " and resid 21   and name HG# ))
   (( segid "    " and resid 22   and name HN  ))
      4.700     2.800     1.300 peak  5195 weight  0.10000E+01 volume  0.86303E-04 ppm1      1.920 ppm2      7.441 CV     1
 ASSI { 5197}
   (( segid "    " and resid 100  and name HB# ))
   (( segid "    " and resid 96   and name HB# ))
      5.400     3.600     0.600 peak  5197 weight  0.10000E+01 volume  0.39951E-04 ppm1      3.080 ppm2      1.820 CV     1
 ASSI { 5201}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 33   and name HN  ))
      5.500     3.700     0.500 peak  5201 weight  0.10000E+01 volume  0.36132E-04 ppm1      0.372 ppm2      8.896 CV     1
 ASSI { 5203}
   (  segid "    " and resid 31   and name HG# )
   (  segid "    " and resid 97   and name HE% )
      4.800     2.900     1.200 peak  5203 weight  0.10000E+01 volume  0.75877E-04 ppm1      0.377 ppm2      6.712 CV     1
 ASSI { 5209}
   (  segid "    " and resid 31   and name HG# )
   (( segid "    " and resid 96   and name HB# ))
      5.100     3.200     0.900 peak  5209 weight  0.10000E+01 volume  0.54404E-04 ppm1      0.379 ppm2      1.627 CV     1
 ASSI { 5213}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      5.000     3.100     1.000 peak  5213 weight  0.10000E+01 volume  0.59566E-04 ppm1      4.260 ppm2      7.464 CV     1
 ASSI { 5216}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      5.000     3.100     1.000 peak  5216 weight  0.10000E+01 volume  0.59566E-04 ppm1      3.770 ppm2      8.040 CV     1
 ASSI { 5232}
   (  segid "    " and resid 3    and name HE% )
   (( segid "    " and resid 110  and name HA  ))
      4.000     2.000     2.000 peak  5232 weight  0.10000E+01 volume  0.24797E-03 ppm1      1.628 ppm2      6.515 CV     1
 ASSI { 5241}
   (  segid "    " and resid 6    and name HG# )
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak  5241 weight  0.10000E+01 volume  0.15381E-03 ppm1      1.131 ppm2     10.541 CV     1
 ASSI { 5243}
   (  segid "    " and resid 34   and name HG# )
   (( segid "    " and resid 7    and name HN  ))
      5.300     3.500     0.700 peak  5243 weight  0.10000E+01 volume  0.42119E-04 ppm1      0.665 ppm2     10.531 CV     1
 ASSI { 5251}
   (( segid "    " and resid 16   and name HG# ))
   (( segid "    " and resid 16   and name HD# ))
      5.800     4.200     0.200 peak  5251 weight  0.10000E+01 volume  0.25189E-04 ppm1      1.563 ppm2      2.169 CV     1
 ASSI { 5256}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak  5256 weight  0.10000E+01 volume  0.15041E-03 ppm1      4.364 ppm2     10.516 CV     1
 ASSI { 2343}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 5    and name HB# ))
      3.100     1.200     1.200 peak  2343 weight  0.20000E+01 volume  0.10586E-02 ppm1      1.556 ppm2      2.632 CV     1
 ASSI { 2347}
   (( segid "    " and resid 8    and name HB# ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak  2347 weight  0.20000E+01 volume  0.28420E-03 ppm1      1.427 ppm2      6.910 CV     1
 ASSI { 1053}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 9    and name HB# ))
      2.300     0.600     0.600 peak  1053 weight  0.20000E+01 volume  0.71284E-02 ppm1      3.716 ppm2      2.144 CV     1
 ASSI { 3415}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB# ))
      2.900     1.000     1.000 peak  3415 weight  0.20000E+01 volume  0.17041E-02 ppm1      4.364 ppm2      1.717 CV     1
 ASSI { 1640}
   (( segid "    " and resid 13   and name HB# ))
   (( segid "    " and resid 12   and name HB# ))
      3.400     1.500     1.500 peak  1640 weight  0.20000E+01 volume  0.59658E-03 ppm1      3.480 ppm2      2.093 CV     1
 ASSI { 5249}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      4.700     2.700     1.300 peak  5249 weight  0.20000E+01 volume  0.93529E-04 ppm1      3.770 ppm2      8.904 CV     1
 ASSI { 3699}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.600     1.600 peak  3699 weight  0.20000E+01 volume  0.48086E-03 ppm1      4.198 ppm2      7.604 CV     1
 ASSI { 1710}
   (( segid "    " and resid 27   and name HB# ))
   (( segid "    " and resid 30   and name HG# ))
      2.800     1.000     1.000 peak  1710 weight  0.20000E+01 volume  0.20070E-02 ppm1      2.653 ppm2      1.290 CV     1
 ASSI { 1501}
   (( segid "    " and resid 68   and name HE# ))
   (( segid "    " and resid 68   and name HN  ))
      3.800     1.800     1.800 peak  1501 weight  0.20000E+01 volume  0.32395E-03 ppm1      2.843 ppm2      7.324 CV     1
 ASSI { 2680}
   (( segid "    " and resid 70   and name HG1#))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.100     1.100 peak  2680 weight  0.20000E+01 volume  0.15780E-02 ppm1      1.328 ppm2      7.806 CV     1
 ASSI { 1764}
   (( segid "    " and resid 83   and name HB# ))
   (  segid "    " and resid 82   and name HG# )
      3.400     1.400     1.400 peak  1764 weight  0.20000E+01 volume  0.66586E-03 ppm1      2.702 ppm2      0.852 CV     1
 ASSI { 1771}
   (( segid "    " and resid 83   and name HB# ))
   (( segid "    " and resid 83   and name HD21))
      2.800     1.000     1.000 peak  1771 weight  0.20000E+01 volume  0.20427E-02 ppm1      2.700 ppm2      7.240 CV     1
 ASSI { 3865}
   (  segid "    " and resid 86   and name HD# )
   (( segid "    " and resid 86   and name HG1#))
      1.900     0.400     0.400 peak  3865 weight  0.20000E+01 volume  0.20560E-01 ppm1      0.823 ppm2      1.533 CV     1
 ASSI { 3718}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 104  and name HB# ))
      3.000     1.100     1.100 peak  3718 weight  0.20000E+01 volume  0.12473E-02 ppm1      4.457 ppm2      2.418 CV     1
 ASSI { 3182}
   (  segid "    " and resid 35   and name HG# )
   (( segid "    " and resid 110  and name HN  ))
      4.500     2.500     1.500 peak  3182 weight  0.20000E+01 volume  0.12141E-03 ppm1      0.828 ppm2      8.994 CV     1
 ASSI {  586}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 117  and name HD% )
      2.900     1.100     1.100 peak   586 weight  0.20000E+01 volume  0.15526E-02 ppm1      4.416 ppm2      6.598 CV     1
 ASSI {  3620}
   (( segid "    " and resid 74   and name HB#  ))
   (  segid "    " and resid 73  and name HB# )
      4.000     2.000     2.000 peak 3620  weight  0.20000E+01 volume  0.15526E-02 ppm1      4.416 ppm2      6.598 CV     1
 ASSI {  3621}
   (( segid "    " and resid 39   and name HD#  ))
   (  segid "    " and resid 119  and name HA )
      4.200     2.200     1.800 peak 3621  weight  0.20000E+01 volume  0.15526E-02 ppm1      4.416 ppm2      6.598 CV     1
 ASSI {  4407}
   (( segid "    " and resid 67   and name HD#  ))
   (  segid "    " and resid 74   and name HB# )
      3.100     1.200     1.200 peak 3621  weight  0.20000E+01 volume  0.15526E-02 ppm1      4.416 ppm2      6.598 CV     1
 ASSI {  4372} { 5264}
   (( segid "    " and resid 74   and name HB#  ))
   (  segid "    " and resid 75   and name HG# )
      3.200     1.300     1.300 peak 3621  weight  0.20000E+01 volume  0.15526E-02 ppm1      4.416 ppm2      6.598 CV     1
 ASSI {  5265}
   (( segid "    " and resid 67   and name HD#  ))
   (  segid "    " and resid 72   and name HD# )
      4.900     3.000     1.100 peak 3621  weight  0.20000E+01 volume  0.15526E-02 ppm1      4.416 ppm2      6.598 CV     1
 ASSI {  642}
   (( segid "    " and resid 67   and name HD#  ))
   (  segid "    " and resid 78   and name HD# )
      3.000     1.100     1.100 peak 3621  weight  0.20000E+01 volume  0.15526E-02 ppm1      4.416 ppm2      6.598 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          HT1       GLY   1 206.006 -16.089   6.561
    2   2H    GLY   1          HT2       GLY   1 207.137 -15.622   7.729
    3   3H    GLY   1          HT3       GLY   1 207.467 -15.378   6.088
    4   1HA   GLY   1          HA1       GLY   1 206.750 -13.305   6.434
    5   2HA   GLY   1          HA2       GLY   1 205.161 -14.046   6.325
    6    H    SER   2           HN       SER   2 206.101 -11.684   7.837
    7    HA   SER   2           HA       SER   2 204.714 -12.242  10.274
    8   1HB   SER   2          HB2       SER   2 207.641 -11.511  10.515
    9   2HB   SER   2          HB1       SER   2 206.508 -11.789  11.837
   10    HG   SER   2           HG       SER   2 207.653 -13.661  11.561
   11    H    MET   3           HN       MET   3 203.909 -10.503   8.483
   12    HA   MET   3           HA       MET   3 204.885  -7.865   9.317
   13   1HB   MET   3          HB2       MET   3 203.565  -8.883   6.843
   14   2HB   MET   3          HB1       MET   3 203.306  -7.204   7.296
   15   1HG   MET   3          HG2       MET   3 205.916  -7.176   7.499
   16   2HG   MET   3          HG1       MET   3 205.800  -8.570   6.425
   17   1HE   MET   3          HE1       MET   3 204.985  -4.898   7.041
   18   2HE   MET   3          HE2       MET   3 205.157  -4.183   5.439
   19   3HE   MET   3          HE3       MET   3 206.559  -4.896   6.246
   20    H    LYS   4           HN       LYS   4 203.473  -6.272  10.057
   21    HA   LYS   4           HA       LYS   4 200.791  -7.232  10.819
   22   1HB   LYS   4          HB2       LYS   4 202.897  -5.850  12.391
   23   2HB   LYS   4          HB1       LYS   4 201.233  -5.363  12.690
   24   1HG   LYS   4          HG2       LYS   4 201.484  -7.022  14.240
   25   2HG   LYS   4          HG1       LYS   4 200.831  -7.941  12.882
   26   1HD   LYS   4          HD2       LYS   4 202.596  -9.288  13.235
   27   2HD   LYS   4          HD1       LYS   4 203.498  -8.048  12.364
   28   1HE   LYS   4          HE2       LYS   4 204.587  -7.368  14.210
   29   2HE   LYS   4          HE1       LYS   4 203.157  -7.523  15.229
   30   1HZ   LYS   4          HZ1       LYS   4 205.273  -9.437  14.702
   31   2HZ   LYS   4          HZ2       LYS   4 203.710 -10.082  14.747
   32   3HZ   LYS   4          HZ3       LYS   4 204.314  -9.234  16.081
   33    H    PHE   5           HN       PHE   5 199.127  -6.055  10.128
   34    HA   PHE   5           HA       PHE   5 199.552  -3.232   9.435
   35   1HB   PHE   5          HB2       PHE   5 198.555  -5.427   7.672
   36   2HB   PHE   5          HB1       PHE   5 197.844  -3.828   7.495
   37    HD1  PHE   5           HD1      PHE   5 198.774  -2.448   5.926
   38    HD2  PHE   5           HD2      PHE   5 201.228  -5.373   7.801
   39    HE1  PHE   5           HE1      PHE   5 200.666  -1.768   4.506
   40    HE2  PHE   5           HE2      PHE   5 203.121  -4.696   6.387
   41    HZ   PHE   5           HZ       PHE   5 202.842  -2.894   4.736
   42    H    VAL   6           HN       VAL   6 197.451  -2.050   9.164
   43    HA   VAL   6           HA       VAL   6 195.268  -3.284  10.682
   44    HB   VAL   6           HB       VAL   6 196.526  -1.846  12.241
   45   1HG1  VAL   6          HG11      VAL   6 197.314  -0.213  10.538
   46   2HG1  VAL   6          HG12      VAL   6 196.648   0.524  11.993
   47   3HG1  VAL   6          HG13      VAL   6 195.688   0.472  10.516
   48   1HG2  VAL   6          HG21      VAL   6 194.644  -1.196  13.295
   49   2HG2  VAL   6          HG22      VAL   6 193.853  -2.053  11.972
   50   3HG2  VAL   6          HG23      VAL   6 194.046  -0.301  11.897
   51    H    TYR   7           HN       TYR   7 196.210  -0.513   8.651
   52    HA   TYR   7           HA       TYR   7 193.503   0.032   7.880
   53   1HB   TYR   7          HB2       TYR   7 195.203   1.816   7.795
   54   2HB   TYR   7          HB1       TYR   7 196.085   0.919   6.563
   55    HD1  TYR   7           HD1      TYR   7 195.552   1.156   4.286
   56    HD2  TYR   7           HD2      TYR   7 192.852   2.605   7.240
   57    HE1  TYR   7           HE1      TYR   7 194.224   2.247   2.529
   58    HE2  TYR   7           HE2      TYR   7 191.517   3.700   5.491
   59    HH   TYR   7           HH       TYR   7 192.067   4.604   3.049
   60    H    LYS   8           HN       LYS   8 196.303  -1.484   6.320
   61    HA   LYS   8           HA       LYS   8 194.812  -2.339   4.031
   62   1HB   LYS   8          HB2       LYS   8 197.416  -1.965   4.345
   63   2HB   LYS   8          HB1       LYS   8 197.381  -3.649   4.844
   64   1HG   LYS   8          HG2       LYS   8 195.953  -3.065   2.346
   65   2HG   LYS   8          HG1       LYS   8 197.699  -2.823   2.298
   66   1HD   LYS   8          HD2       LYS   8 198.110  -5.021   2.344
   67   2HD   LYS   8          HD1       LYS   8 196.940  -5.296   3.636
   68   1HE   LYS   8          HE2       LYS   8 195.894  -6.446   1.980
   69   2HE   LYS   8          HE1       LYS   8 195.233  -4.846   1.647
   70   1HZ   LYS   8          HZ1       LYS   8 197.754  -5.447   0.347
   71   2HZ   LYS   8          HZ2       LYS   8 196.375  -4.681  -0.264
   72   3HZ   LYS   8          HZ3       LYS   8 196.437  -6.369  -0.180
   73    H    GLU   9           HN       GLU   9 195.238  -3.457   7.224
   74    HA   GLU   9           HA       GLU   9 194.561  -6.198   6.640
   75   1HB   GLU   9          HB2       GLU   9 195.489  -4.692   9.008
   76   2HB   GLU   9          HB1       GLU   9 194.465  -6.086   9.323
   77   1HG   GLU   9          HG2       GLU   9 196.559  -6.665   7.403
   78   2HG   GLU   9          HG1       GLU   9 197.194  -6.105   8.949
   79    H    GLU  10           HN       GLU  10 193.136  -3.352   8.143
   80    HA   GLU  10           HA       GLU  10 190.730  -4.609   8.969
   81   1HB   GLU  10          HB2       GLU  10 191.556  -1.742   8.580
   82   2HB   GLU  10          HB1       GLU  10 189.899  -2.159   8.992
   83   1HG   GLU  10          HG2       GLU  10 191.688  -3.531  10.750
   84   2HG   GLU  10          HG1       GLU  10 192.081  -1.813  10.723
   85    H    HIS  11           HN       HIS  11 191.334  -2.295   6.316
   86    HA   HIS  11           HA       HIS  11 188.886  -2.334   5.088
   87   1HB   HIS  11          HB2       HIS  11 191.671  -1.974   4.095
   88   2HB   HIS  11          HB1       HIS  11 190.395  -2.173   2.898
   89    HD1  HIS  11           HD1      HIS  11 189.049  -0.143   2.348
   90    HD2  HIS  11           HD2      HIS  11 191.227   0.310   5.856
   91    HE1  HIS  11           HE1      HIS  11 188.751   2.262   3.017
   92    HE2  HIS  11           HE2      HIS  11 189.978   2.479   5.206
   93    HA   PRO  12           HA       PRO  12 188.373  -6.828   4.453
   94   1HB   PRO  12          HB2       PRO  12 186.295  -5.806   2.637
   95   2HB   PRO  12          HB1       PRO  12 186.160  -6.956   3.965
   96   1HG   PRO  12          HG2       PRO  12 185.416  -4.245   4.010
   97   2HG   PRO  12          HG1       PRO  12 185.529  -5.333   5.399
   98   1HD   PRO  12          HD2       PRO  12 187.158  -3.083   4.830
   99   2HD   PRO  12          HD1       PRO  12 187.365  -4.258   6.136
  100    H    PHE  13           HN       PHE  13 188.147  -8.176   2.456
  101    HA   PHE  13           HA       PHE  13 190.131  -7.452   0.582
  102   1HB   PHE  13          HB2       PHE  13 189.365  -9.820   1.298
  103   2HB   PHE  13          HB1       PHE  13 188.114  -9.620   0.074
  104    HD1  PHE  13           HD1      PHE  13 189.175  -8.596  -2.230
  105    HD2  PHE  13           HD2      PHE  13 191.189 -11.024   0.628
  106    HE1  PHE  13           HE1      PHE  13 190.763  -9.314  -3.964
  107    HE2  PHE  13           HE2      PHE  13 192.780 -11.746  -1.105
  108    HZ   PHE  13           HZ       PHE  13 192.569 -10.888  -3.404
  109    H    GLU  14           HN       GLU  14 186.598  -7.634   0.388
  110    HA   GLU  14           HA       GLU  14 186.280  -6.988  -2.294
  111   1HB   GLU  14          HB2       GLU  14 184.621  -6.976   0.102
  112   2HB   GLU  14          HB1       GLU  14 184.169  -5.703  -1.022
  113   1HG   GLU  14          HG2       GLU  14 183.986  -7.397  -2.809
  114   2HG   GLU  14          HG1       GLU  14 184.333  -8.647  -1.616
  115    H    LYS  15           HN       LYS  15 187.236  -5.022   0.379
  116    HA   LYS  15           HA       LYS  15 186.726  -2.508  -0.945
  117   1HB   LYS  15          HB2       LYS  15 188.424  -2.949   1.508
  118   2HB   LYS  15          HB1       LYS  15 187.590  -1.480   1.019
  119   1HG   LYS  15          HG2       LYS  15 185.882  -3.838   1.444
  120   2HG   LYS  15          HG1       LYS  15 186.670  -3.179   2.876
  121   1HD   LYS  15          HD2       LYS  15 185.810  -0.922   2.162
  122   2HD   LYS  15          HD1       LYS  15 184.828  -1.771   0.963
  123   1HE   LYS  15          HE2       LYS  15 183.907  -3.134   2.879
  124   2HE   LYS  15          HE1       LYS  15 184.705  -1.995   3.961
  125   1HZ   LYS  15          HZ1       LYS  15 183.206  -0.394   3.525
  126   2HZ   LYS  15          HZ2       LYS  15 182.213  -1.694   3.097
  127   3HZ   LYS  15          HZ3       LYS  15 183.028  -0.825   1.898
  128    H    ARG  16           HN       ARG  16 189.732  -3.911   0.382
  129    HA   ARG  16           HA       ARG  16 191.509  -2.311  -0.999
  130   1HB   ARG  16          HB2       ARG  16 193.106  -4.308  -0.774
  131   2HB   ARG  16          HB1       ARG  16 192.438  -3.629   0.704
  132   1HG   ARG  16          HG2       ARG  16 190.614  -5.574   0.070
  133   2HG   ARG  16          HG1       ARG  16 192.140  -6.291  -0.442
  134   1HD   ARG  16          HD2       ARG  16 192.260  -4.962   2.162
  135   2HD   ARG  16          HD1       ARG  16 191.153  -6.333   2.105
  136    HE   ARG  16           HE       ARG  16 193.646  -6.999   0.931
  137   1HH1  ARG  16          HH11      ARG  16 192.103  -6.493   4.019
  138   2HH1  ARG  16          HH12      ARG  16 193.181  -7.549   4.871
  139   1HH2  ARG  16          HH21      ARG  16 195.063  -8.388   2.049
  140   2HH2  ARG  16          HH22      ARG  16 194.861  -8.624   3.753
  141    H    ARG  17           HN       ARG  17 189.639  -5.005  -2.125
  142    HA   ARG  17           HA       ARG  17 191.142  -5.350  -4.565
  143   1HB   ARG  17          HB2       ARG  17 190.001  -7.261  -3.544
  144   2HB   ARG  17          HB1       ARG  17 188.453  -6.448  -3.731
  145   1HG   ARG  17          HG2       ARG  17 188.757  -6.488  -6.175
  146   2HG   ARG  17          HG1       ARG  17 190.266  -7.374  -5.950
  147   1HD   ARG  17          HD2       ARG  17 189.161  -9.263  -5.117
  148   2HD   ARG  17          HD1       ARG  17 187.674  -8.367  -4.816
  149    HE   ARG  17           HE       ARG  17 188.426  -8.468  -7.589
  150   1HH1  ARG  17          HH11      ARG  17 186.728 -10.115  -5.022
  151   2HH1  ARG  17          HH12      ARG  17 185.699 -10.996  -6.100
  152   1HH2  ARG  17          HH21      ARG  17 187.072  -9.625  -9.007
  153   2HH2  ARG  17          HH22      ARG  17 185.893 -10.718  -8.363
  154    H    SER  18           HN       SER  18 187.882  -4.193  -3.726
  155    HA   SER  18           HA       SER  18 186.999  -3.399  -6.187
  156   1HB   SER  18          HB2       SER  18 185.473  -3.278  -4.373
  157   2HB   SER  18          HB1       SER  18 186.529  -2.202  -3.456
  158    HG   SER  18           HG       SER  18 185.610  -0.590  -4.419
  159    H    GLU  19           HN       GLU  19 188.885  -1.477  -3.875
  160    HA   GLU  19           HA       GLU  19 189.101   0.830  -5.471
  161   1HB   GLU  19          HB2       GLU  19 190.102  -0.109  -2.949
  162   2HB   GLU  19          HB1       GLU  19 191.395   0.669  -3.849
  163   1HG   GLU  19          HG2       GLU  19 190.441   2.713  -3.733
  164   2HG   GLU  19          HG1       GLU  19 188.800   2.071  -3.745
  165    H    GLY  20           HN       GLY  20 191.219  -1.980  -5.064
  166   1HA   GLY  20          HA2       GLY  20 193.318  -1.048  -6.699
  167   2HA   GLY  20          HA1       GLY  20 193.007  -2.728  -6.292
  168    H    GLU  21           HN       GLU  21 190.742  -3.396  -7.474
  169    HA   GLU  21           HA       GLU  21 191.399  -3.771 -10.131
  170   1HB   GLU  21          HB2       GLU  21 189.861  -5.273  -9.263
  171   2HB   GLU  21          HB1       GLU  21 188.844  -4.004  -8.592
  172   1HG   GLU  21          HG2       GLU  21 187.763  -3.641 -10.549
  173   2HG   GLU  21          HG1       GLU  21 189.149  -4.114 -11.531
  174    H    LYS  22           HN       LYS  22 189.993  -0.999  -8.641
  175    HA   LYS  22           HA       LYS  22 189.001   0.021 -11.186
  176   1HB   LYS  22          HB2       LYS  22 187.467   0.542  -9.532
  177   2HB   LYS  22          HB1       LYS  22 188.708   0.845  -8.326
  178   1HG   LYS  22          HG2       LYS  22 188.563   2.683 -10.652
  179   2HG   LYS  22          HG1       LYS  22 187.298   2.794  -9.426
  180   1HD   LYS  22          HD2       LYS  22 189.571   2.657  -7.902
  181   2HD   LYS  22          HD1       LYS  22 190.115   3.584  -9.302
  182   1HE   LYS  22          HE2       LYS  22 187.506   4.354  -8.149
  183   2HE   LYS  22          HE1       LYS  22 188.928   4.690  -7.160
  184   1HZ   LYS  22          HZ1       LYS  22 188.115   5.856  -9.707
  185   2HZ   LYS  22          HZ2       LYS  22 189.773   5.628  -9.471
  186   3HZ   LYS  22          HZ3       LYS  22 188.887   6.575  -8.384
  187    H    ILE  23           HN       ILE  23 191.289   0.948  -8.639
  188    HA   ILE  23           HA       ILE  23 192.365   3.209  -9.877
  189    HB   ILE  23           HB       ILE  23 193.474   1.248  -7.885
  190   1HG1  ILE  23          HG12      ILE  23 192.930   4.142  -7.385
  191   2HG1  ILE  23          HG11      ILE  23 191.574   3.025  -7.500
  192   1HG2  ILE  23          HG21      ILE  23 195.437   2.429  -7.587
  193   2HG2  ILE  23          HG22      ILE  23 194.821   3.862  -8.399
  194   3HG2  ILE  23          HG23      ILE  23 195.264   2.440  -9.340
  195   1HD1  ILE  23          HD11      ILE  23 193.486   1.860  -5.783
  196   2HD1  ILE  23          HD12      ILE  23 191.879   2.473  -5.390
  197   3HD1  ILE  23          HD13      ILE  23 193.278   3.543  -5.297
  198    H    ARG  24           HN       ARG  24 192.846  -0.172 -10.467
  199    HA   ARG  24           HA       ARG  24 195.279   0.146 -11.977
  200   1HB   ARG  24          HB2       ARG  24 193.369  -2.168 -11.622
  201   2HB   ARG  24          HB1       ARG  24 194.838  -2.260 -12.585
  202   1HG   ARG  24          HG2       ARG  24 194.648  -1.750  -9.626
  203   2HG   ARG  24          HG1       ARG  24 195.242  -3.209 -10.417
  204   1HD   ARG  24          HD2       ARG  24 196.503  -0.495 -10.254
  205   2HD   ARG  24          HD1       ARG  24 197.177  -2.058  -9.801
  206    HE   ARG  24           HE       ARG  24 197.300  -0.829 -12.360
  207   1HH1  ARG  24          HH11      ARG  24 197.035  -3.938 -10.795
  208   2HH1  ARG  24          HH12      ARG  24 197.761  -4.801 -12.109
  209   1HH2  ARG  24          HH21      ARG  24 198.253  -1.964 -14.089
  210   2HH2  ARG  24          HH22      ARG  24 198.452  -3.681 -13.979
  211    H    LYS  25           HN       LYS  25 191.850  -0.348 -12.645
  212    HA   LYS  25           HA       LYS  25 192.150  -0.466 -15.484
  213   1HB   LYS  25          HB2       LYS  25 189.748   0.001 -13.721
  214   2HB   LYS  25          HB1       LYS  25 189.672  -0.295 -15.456
  215   1HG   LYS  25          HG2       LYS  25 190.569  -2.501 -15.177
  216   2HG   LYS  25          HG1       LYS  25 190.868  -2.205 -13.462
  217   1HD   LYS  25          HD2       LYS  25 188.853  -3.543 -13.765
  218   2HD   LYS  25          HD1       LYS  25 188.451  -1.960 -13.096
  219   1HE   LYS  25          HE2       LYS  25 187.268  -1.359 -14.909
  220   2HE   LYS  25          HE1       LYS  25 188.432  -2.073 -16.024
  221   1HZ   LYS  25          HZ1       LYS  25 186.755  -3.517 -16.356
  222   2HZ   LYS  25          HZ2       LYS  25 186.035  -3.227 -14.854
  223   3HZ   LYS  25          HZ3       LYS  25 187.367  -4.263 -14.966
  224    H    LYS  26           HN       LYS  26 191.232   2.018 -13.157
  225    HA   LYS  26           HA       LYS  26 190.644   3.976 -15.143
  226   1HB   LYS  26          HB2       LYS  26 189.906   3.721 -12.596
  227   2HB   LYS  26          HB1       LYS  26 191.275   4.802 -12.373
  228   1HG   LYS  26          HG2       LYS  26 190.301   6.473 -13.716
  229   2HG   LYS  26          HG1       LYS  26 189.079   5.359 -14.336
  230   1HD   LYS  26          HD2       LYS  26 187.790   5.516 -12.473
  231   2HD   LYS  26          HD1       LYS  26 189.173   5.757 -11.405
  232   1HE   LYS  26          HE2       LYS  26 187.620   7.739 -11.705
  233   2HE   LYS  26          HE1       LYS  26 189.337   8.040 -11.964
  234   1HZ   LYS  26          HZ1       LYS  26 187.332   7.563 -14.102
  235   2HZ   LYS  26          HZ2       LYS  26 188.977   7.875 -14.342
  236   3HZ   LYS  26          HZ3       LYS  26 187.980   9.069 -13.678
  237    H    TYR  27           HN       TYR  27 193.372   3.160 -13.110
  238    HA   TYR  27           HA       TYR  27 194.985   5.133 -14.593
  239   1HB   TYR  27          HB2       TYR  27 195.861   4.297 -11.873
  240   2HB   TYR  27          HB1       TYR  27 196.087   5.833 -12.702
  241    HD1  TYR  27           HD1      TYR  27 194.934   4.855  -9.827
  242    HD2  TYR  27           HD2      TYR  27 193.296   6.558 -13.361
  243    HE1  TYR  27           HE1      TYR  27 193.096   5.810  -8.502
  244    HE2  TYR  27           HE2      TYR  27 191.454   7.525 -12.048
  245    HH   TYR  27           HH       TYR  27 191.491   7.861  -8.795
  246    HA   PRO  28           HA       PRO  28 196.846   1.075 -15.527
  247   1HB   PRO  28          HB2       PRO  28 197.798   2.390 -17.949
  248   2HB   PRO  28          HB1       PRO  28 196.689   1.028 -17.785
  249   1HG   PRO  28          HG2       PRO  28 195.887   3.471 -18.638
  250   2HG   PRO  28          HG1       PRO  28 194.829   2.376 -17.729
  251   1HD   PRO  28          HD2       PRO  28 196.385   4.746 -16.759
  252   2HD   PRO  28          HD1       PRO  28 194.721   4.255 -16.371
  253    H    ASP  29           HN       ASP  29 198.207   4.268 -15.365
  254    HA   ASP  29           HA       ASP  29 200.933   3.200 -15.402
  255   1HB   ASP  29          HB2       ASP  29 200.058   6.089 -15.263
  256   2HB   ASP  29          HB1       ASP  29 201.679   5.487 -15.600
  257    H    ARG  30           HN       ARG  30 198.536   3.909 -13.161
  258    HA   ARG  30           HA       ARG  30 200.494   4.528 -11.055
  259   1HB   ARG  30          HB2       ARG  30 197.592   5.097 -11.407
  260   2HB   ARG  30          HB1       ARG  30 198.195   4.888  -9.772
  261   1HG   ARG  30          HG2       ARG  30 199.915   6.651 -11.247
  262   2HG   ARG  30          HG1       ARG  30 198.240   7.201 -11.332
  263   1HD   ARG  30          HD2       ARG  30 198.066   7.147  -8.922
  264   2HD   ARG  30          HD1       ARG  30 199.704   6.506  -8.794
  265    HE   ARG  30           HE       ARG  30 200.529   8.622  -9.127
  266   1HH1  ARG  30          HH11      ARG  30 197.132   8.578  -9.933
  267   2HH1  ARG  30          HH12      ARG  30 197.020  10.298 -10.087
  268   1HH2  ARG  30          HH21      ARG  30 200.380  10.886  -9.330
  269   2HH2  ARG  30          HH22      ARG  30 198.862  11.609  -9.746
  270    H    VAL  31           HN       VAL  31 200.252   3.467  -8.982
  271    HA   VAL  31           HA       VAL  31 198.916   0.855  -9.106
  272    HB   VAL  31           HB       VAL  31 200.805  -0.220  -7.981
  273   1HG1  VAL  31          HG11      VAL  31 201.607  -0.794  -9.968
  274   2HG1  VAL  31          HG12      VAL  31 202.334   0.795 -10.205
  275   3HG1  VAL  31          HG13      VAL  31 200.653   0.517 -10.662
  276   1HG2  VAL  31          HG21      VAL  31 202.303   1.019  -6.902
  277   2HG2  VAL  31          HG22      VAL  31 201.713   2.494  -7.673
  278   3HG2  VAL  31          HG23      VAL  31 202.949   1.519  -8.465
  279    HA   PRO  32           HA       PRO  32 197.394   2.433  -5.193
  280   1HB   PRO  32          HB2       PRO  32 196.032   0.192  -4.450
  281   2HB   PRO  32          HB1       PRO  32 195.406   1.366  -5.611
  282   1HG   PRO  32          HG2       PRO  32 196.736  -1.264  -6.107
  283   2HG   PRO  32          HG1       PRO  32 195.335  -0.548  -6.922
  284   1HD   PRO  32          HD2       PRO  32 197.821  -0.523  -7.998
  285   2HD   PRO  32          HD1       PRO  32 196.648   0.777  -8.279
  286    H    VAL  33           HN       VAL  33 199.015   2.606  -3.742
  287    HA   VAL  33           HA       VAL  33 200.228   0.131  -2.739
  288    HB   VAL  33           HB       VAL  33 201.311   2.942  -2.642
  289   1HG1  VAL  33          HG11      VAL  33 203.403   1.259  -2.121
  290   2HG1  VAL  33          HG12      VAL  33 202.075   0.486  -1.254
  291   3HG1  VAL  33          HG13      VAL  33 202.492   2.164  -0.911
  292   1HG2  VAL  33          HG21      VAL  33 202.098   0.557  -4.330
  293   2HG2  VAL  33          HG22      VAL  33 202.989   2.079  -4.238
  294   3HG2  VAL  33          HG23      VAL  33 201.350   2.058  -4.890
  295    H    ILE  34           HN       ILE  34 200.263  -0.364  -0.606
  296    HA   ILE  34           HA       ILE  34 198.884   1.492   1.210
  297    HB   ILE  34           HB       ILE  34 199.035  -1.486   1.661
  298   1HG1  ILE  34          HG12      ILE  34 197.854  -1.194  -0.435
  299   2HG1  ILE  34          HG11      ILE  34 196.669  -1.526   0.825
  300   1HG2  ILE  34          HG21      ILE  34 197.615   0.838   2.883
  301   2HG2  ILE  34          HG22      ILE  34 198.484  -0.485   3.663
  302   3HG2  ILE  34          HG23      ILE  34 196.886  -0.765   2.963
  303   1HD1  ILE  34          HD11      ILE  34 197.277   1.312   0.237
  304   2HD1  ILE  34          HD12      ILE  34 195.757   0.546   0.703
  305   3HD1  ILE  34          HD13      ILE  34 196.347   0.403  -0.954
  306    H    VAL  35           HN       VAL  35 201.067   2.405   1.403
  307    HA   VAL  35           HA       VAL  35 203.241   1.063   2.535
  308    HB   VAL  35           HB       VAL  35 202.496   3.963   2.935
  309   1HG1  VAL  35          HG11      VAL  35 205.104   4.071   2.955
  310   2HG1  VAL  35          HG12      VAL  35 204.972   2.376   3.430
  311   3HG1  VAL  35          HG13      VAL  35 204.219   3.633   4.418
  312   1HG2  VAL  35          HG21      VAL  35 204.024   2.592   0.732
  313   2HG2  VAL  35          HG22      VAL  35 204.027   4.336   0.995
  314   3HG2  VAL  35          HG23      VAL  35 202.523   3.507   0.589
  315    H    GLU  36           HN       GLU  36 204.079   1.153   4.732
  316    HA   GLU  36           HA       GLU  36 202.173   1.747   6.852
  317   1HB   GLU  36          HB2       GLU  36 202.373  -0.835   5.827
  318   2HB   GLU  36          HB1       GLU  36 203.327  -0.879   7.301
  319   1HG   GLU  36          HG2       GLU  36 200.990   0.507   7.954
  320   2HG   GLU  36          HG1       GLU  36 200.482  -0.854   6.959
  321    H    LYS  37           HN       LYS  37 203.139   1.573   9.015
  322    HA   LYS  37           HA       LYS  37 206.011   2.153   8.898
  323   1HB   LYS  37          HB2       LYS  37 204.205   3.749   9.927
  324   2HB   LYS  37          HB1       LYS  37 204.297   2.666  11.308
  325   1HG   LYS  37          HG2       LYS  37 206.950   3.311  10.583
  326   2HG   LYS  37          HG1       LYS  37 206.024   4.813  10.591
  327   1HD   LYS  37          HD2       LYS  37 206.906   4.477  12.791
  328   2HD   LYS  37          HD1       LYS  37 205.168   4.183  12.852
  329   1HE   LYS  37          HE2       LYS  37 205.417   1.928  13.153
  330   2HE   LYS  37          HE1       LYS  37 206.980   1.888  12.340
  331   1HZ   LYS  37          HZ1       LYS  37 207.440   1.550  14.593
  332   2HZ   LYS  37          HZ2       LYS  37 206.380   2.766  15.100
  333   3HZ   LYS  37          HZ3       LYS  37 207.828   3.175  14.329
  334    H    ALA  38           HN       ALA  38 206.868   0.132   8.943
  335    HA   ALA  38           HA       ALA  38 206.239  -2.162  10.153
  336   1HB   ALA  38          HB1       ALA  38 208.287  -1.693   8.813
  337   2HB   ALA  38          HB2       ALA  38 208.545  -2.742  10.207
  338   3HB   ALA  38          HB3       ALA  38 209.026  -1.044  10.281
  339    HA   PRO  39           HA       PRO  39 205.994  -1.874  14.536
  340   1HB   PRO  39          HB2       PRO  39 207.073  -4.322  15.180
  341   2HB   PRO  39          HB1       PRO  39 205.399  -4.074  14.658
  342   1HG   PRO  39          HG2       PRO  39 207.774  -4.945  13.077
  343   2HG   PRO  39          HG1       PRO  39 206.112  -5.550  13.019
  344   1HD   PRO  39          HD2       PRO  39 207.062  -3.888  11.161
  345   2HD   PRO  39          HD1       PRO  39 205.383  -3.772  11.732
  346    H    LYS  40           HN       LYS  40 207.263  -1.358  16.278
  347    HA   LYS  40           HA       LYS  40 209.094  -0.795  17.485
  348   1HB   LYS  40          HB2       LYS  40 210.342  -2.918  15.750
  349   2HB   LYS  40          HB1       LYS  40 211.232  -2.077  17.011
  350   1HG   LYS  40          HG2       LYS  40 210.542  -3.725  18.341
  351   2HG   LYS  40          HG1       LYS  40 208.992  -2.885  18.345
  352   1HD   LYS  40          HD2       LYS  40 208.840  -4.360  16.042
  353   2HD   LYS  40          HD1       LYS  40 209.757  -5.427  17.106
  354   1HE   LYS  40          HE2       LYS  40 207.481  -4.182  18.434
  355   2HE   LYS  40          HE1       LYS  40 207.014  -5.158  17.043
  356   1HZ   LYS  40          HZ1       LYS  40 208.954  -6.352  18.849
  357   2HZ   LYS  40          HZ2       LYS  40 207.641  -7.057  18.049
  358   3HZ   LYS  40          HZ3       LYS  40 207.389  -6.165  19.464
  359    H    ALA  41           HN       ALA  41 208.909  -0.138  14.174
  360    HA   ALA  41           HA       ALA  41 211.321   0.971  13.493
  361   1HB   ALA  41          HB1       ALA  41 210.229   2.129  11.806
  362   2HB   ALA  41          HB2       ALA  41 208.767   2.347  12.764
  363   3HB   ALA  41          HB3       ALA  41 209.159   0.756  12.101
  364    H    ARG  42           HN       ARG  42 212.340   2.856  13.937
  365    HA   ARG  42           HA       ARG  42 211.411   4.341  16.256
  366   1HB   ARG  42          HB2       ARG  42 214.027   4.754  14.816
  367   2HB   ARG  42          HB1       ARG  42 213.627   5.167  16.479
  368   1HG   ARG  42          HG2       ARG  42 213.822   2.986  17.209
  369   2HG   ARG  42          HG1       ARG  42 213.563   2.314  15.598
  370   1HD   ARG  42          HD2       ARG  42 215.745   2.336  15.150
  371   2HD   ARG  42          HD1       ARG  42 215.905   4.010  15.679
  372    HE   ARG  42           HE       ARG  42 216.513   1.643  17.195
  373   1HH1  ARG  42          HH11      ARG  42 215.670   5.026  17.379
  374   2HH1  ARG  42          HH12      ARG  42 216.362   5.241  18.951
  375   1HH2  ARG  42          HH21      ARG  42 217.422   1.924  19.264
  376   2HH2  ARG  42          HH22      ARG  42 217.358   3.481  20.021
  377    H    ILE  43           HN       ILE  43 210.005   4.674  13.894
  378    HA   ILE  43           HA       ILE  43 210.510   7.512  13.285
  379    HB   ILE  43           HB       ILE  43 209.296   6.840  11.075
  380   1HG1  ILE  43          HG12      ILE  43 210.588   4.237  11.897
  381   2HG1  ILE  43          HG11      ILE  43 208.855   4.523  11.788
  382   1HG2  ILE  43          HG21      ILE  43 212.168   6.510  11.803
  383   2HG2  ILE  43          HG22      ILE  43 211.395   7.763  10.831
  384   3HG2  ILE  43          HG23      ILE  43 211.629   6.147  10.163
  385   1HD1  ILE  43          HD11      ILE  43 209.680   5.255   9.316
  386   2HD1  ILE  43          HD12      ILE  43 209.064   3.659   9.754
  387   3HD1  ILE  43          HD13      ILE  43 210.803   3.951   9.700
  388    H    GLY  44           HN       GLY  44 208.519   8.549  12.324
  389   1HA   GLY  44          HA2       GLY  44 206.394   8.341  14.202
  390   2HA   GLY  44          HA1       GLY  44 206.405   9.344  12.759
  391    H    ASP  45           HN       ASP  45 204.326   7.569  14.006
  392    HA   ASP  45           HA       ASP  45 203.949   5.436  12.099
  393   1HB   ASP  45          HB2       ASP  45 202.025   6.487  14.182
  394   2HB   ASP  45          HB1       ASP  45 201.911   4.951  13.330
  395    H    LEU  46           HN       LEU  46 202.706   5.433  10.328
  396    HA   LEU  46           HA       LEU  46 201.555   7.977   9.498
  397   1HB   LEU  46          HB2       LEU  46 202.546   5.542   8.148
  398   2HB   LEU  46          HB1       LEU  46 201.187   6.337   7.377
  399    HG   LEU  46           HG       LEU  46 203.896   7.526   7.951
  400   1HD1  LEU  46          HD11      LEU  46 203.369   7.873   5.311
  401   2HD1  LEU  46          HD12      LEU  46 202.589   6.321   5.620
  402   3HD1  LEU  46          HD13      LEU  46 204.302   6.538   5.982
  403   1HD2  LEU  46          HD21      LEU  46 202.317   9.226   6.333
  404   2HD2  LEU  46          HD22      LEU  46 202.985   9.546   7.932
  405   3HD2  LEU  46          HD23      LEU  46 201.377   8.840   7.772
  406    H    ASP  47           HN       ASP  47 199.433   8.271   8.913
  407    HA   ASP  47           HA       ASP  47 197.574   6.135   9.725
  408   1HB   ASP  47          HB2       ASP  47 195.951   7.912  10.233
  409   2HB   ASP  47          HB1       ASP  47 197.431   8.114  11.166
  410    H    LYS  48           HN       LYS  48 198.882   7.366   7.056
  411    HA   LYS  48           HA       LYS  48 196.467   7.696   5.476
  412   1HB   LYS  48          HB2       LYS  48 198.318   9.200   5.028
  413   2HB   LYS  48          HB1       LYS  48 199.402   7.844   4.761
  414   1HG   LYS  48          HG2       LYS  48 197.826   7.206   2.846
  415   2HG   LYS  48          HG1       LYS  48 197.178   8.839   3.019
  416   1HD   LYS  48          HD2       LYS  48 199.972   9.122   3.004
  417   2HD   LYS  48          HD1       LYS  48 199.601   7.958   1.732
  418   1HE   LYS  48          HE2       LYS  48 199.403   9.923   0.570
  419   2HE   LYS  48          HE1       LYS  48 197.739   9.698   1.112
  420   1HZ   LYS  48          HZ1       LYS  48 198.656  11.081   3.147
  421   2HZ   LYS  48          HZ2       LYS  48 198.059  11.834   1.755
  422   3HZ   LYS  48          HZ3       LYS  48 199.727  11.659   1.971
  423    H    LYS  49           HN       LYS  49 199.398   5.687   5.246
  424    HA   LYS  49           HA       LYS  49 199.752   3.558   4.583
  425   1HB   LYS  49          HB2       LYS  49 196.831   3.421   5.227
  426   2HB   LYS  49          HB1       LYS  49 197.589   2.065   4.401
  427   1HG   LYS  49          HG2       LYS  49 199.105   2.988   6.711
  428   2HG   LYS  49          HG1       LYS  49 197.475   2.443   7.112
  429   1HD   LYS  49          HD2       LYS  49 198.329   0.511   5.364
  430   2HD   LYS  49          HD1       LYS  49 199.807   0.913   6.237
  431   1HE   LYS  49          HE2       LYS  49 197.208  -0.116   7.323
  432   2HE   LYS  49          HE1       LYS  49 198.810  -0.820   7.473
  433   1HZ   LYS  49          HZ1       LYS  49 198.881   0.173   9.444
  434   2HZ   LYS  49          HZ2       LYS  49 197.530   1.138   9.117
  435   3HZ   LYS  49          HZ3       LYS  49 199.066   1.637   8.618
  436    H    LYS  50           HN       LYS  50 196.749   4.709   3.007
  437    HA   LYS  50           HA       LYS  50 197.271   3.354   0.574
  438   1HB   LYS  50          HB2       LYS  50 195.272   5.240   1.606
  439   2HB   LYS  50          HB1       LYS  50 195.574   5.398  -0.118
  440   1HG   LYS  50          HG2       LYS  50 195.285   2.629   0.638
  441   2HG   LYS  50          HG1       LYS  50 193.886   3.583   1.133
  442   1HD   LYS  50          HD2       LYS  50 193.264   3.032  -1.001
  443   2HD   LYS  50          HD1       LYS  50 194.106   4.552  -1.307
  444   1HE   LYS  50          HE2       LYS  50 196.192   3.075  -1.627
  445   2HE   LYS  50          HE1       LYS  50 195.046   1.746  -1.778
  446   1HZ   LYS  50          HZ1       LYS  50 195.867   3.272  -3.819
  447   2HZ   LYS  50          HZ2       LYS  50 194.438   4.070  -3.391
  448   3HZ   LYS  50          HZ3       LYS  50 194.399   2.429  -3.799
  449    H    TYR  51           HN       TYR  51 198.203   4.006  -1.305
  450    HA   TYR  51           HA       TYR  51 199.079   6.756  -1.633
  451   1HB   TYR  51          HB2       TYR  51 200.970   4.432  -1.355
  452   2HB   TYR  51          HB1       TYR  51 201.416   5.880  -2.253
  453    HD1  TYR  51           HD1      TYR  51 201.811   7.981  -1.106
  454    HD2  TYR  51           HD2      TYR  51 200.702   4.489   1.042
  455    HE1  TYR  51           HE1      TYR  51 202.482   9.070   0.992
  456    HE2  TYR  51           HE2      TYR  51 201.366   5.563   3.152
  457    HH   TYR  51           HH       TYR  51 201.637   7.888   4.026
  458    H    LEU  52           HN       LEU  52 198.526   7.300  -3.626
  459    HA   LEU  52           HA       LEU  52 198.333   5.212  -5.671
  460   1HB   LEU  52          HB2       LEU  52 196.607   7.221  -5.044
  461   2HB   LEU  52          HB1       LEU  52 197.520   7.972  -6.338
  462    HG   LEU  52           HG       LEU  52 196.911   6.193  -7.870
  463   1HD1  LEU  52          HD11      LEU  52 196.557   4.172  -7.004
  464   2HD1  LEU  52          HD12      LEU  52 194.930   4.732  -6.618
  465   3HD1  LEU  52          HD13      LEU  52 196.207   4.827  -5.406
  466   1HD2  LEU  52          HD21      LEU  52 194.947   7.152  -8.327
  467   2HD2  LEU  52          HD22      LEU  52 195.208   8.111  -6.871
  468   3HD2  LEU  52          HD23      LEU  52 194.240   6.639  -6.795
  469    H    VAL  53           HN       VAL  53 200.662   5.084  -5.780
  470    HA   VAL  53           HA       VAL  53 201.989   7.361  -7.051
  471    HB   VAL  53           HB       VAL  53 203.937   5.441  -6.814
  472   1HG1  VAL  53          HG11      VAL  53 204.742   6.762  -4.923
  473   2HG1  VAL  53          HG12      VAL  53 203.157   7.522  -4.776
  474   3HG1  VAL  53          HG13      VAL  53 204.136   7.795  -6.217
  475   1HG2  VAL  53          HG21      VAL  53 203.758   4.572  -4.511
  476   2HG2  VAL  53          HG22      VAL  53 202.531   3.911  -5.588
  477   3HG2  VAL  53          HG23      VAL  53 202.105   5.174  -4.433
  478    HA   PRO  54           HA       PRO  54 202.020   5.790 -11.154
  479   1HB   PRO  54          HB2       PRO  54 204.956   6.243 -11.161
  480   2HB   PRO  54          HB1       PRO  54 203.720   6.860 -12.263
  481   1HG   PRO  54          HG2       PRO  54 204.841   8.450 -10.439
  482   2HG   PRO  54          HG1       PRO  54 203.116   8.581 -10.832
  483   1HD   PRO  54          HD2       PRO  54 204.431   7.339  -8.455
  484   2HD   PRO  54          HD1       PRO  54 202.919   8.264  -8.556
  485    H    SER  55           HN       SER  55 203.769   4.418 -12.555
  486    HA   SER  55           HA       SER  55 204.251   1.991 -10.961
  487   1HB   SER  55          HB2       SER  55 202.742   2.321 -13.306
  488   2HB   SER  55          HB1       SER  55 204.221   1.505 -13.813
  489    HG   SER  55           HG       SER  55 203.335  -0.223 -13.033
  490    H    ASP  56           HN       ASP  56 205.743   4.469 -12.723
  491    HA   ASP  56           HA       ASP  56 208.146   2.873 -13.219
  492   1HB   ASP  56          HB2       ASP  56 208.923   4.894 -14.473
  493   2HB   ASP  56          HB1       ASP  56 207.446   4.188 -15.123
  494    H    LEU  57           HN       LEU  57 206.767   4.821 -10.893
  495    HA   LEU  57           HA       LEU  57 208.890   6.403 -10.019
  496   1HB   LEU  57          HB2       LEU  57 206.581   6.673  -9.237
  497   2HB   LEU  57          HB1       LEU  57 206.700   5.149  -8.377
  498    HG   LEU  57           HG       LEU  57 208.787   6.379  -7.273
  499   1HD1  LEU  57          HD11      LEU  57 208.346   8.723  -6.909
  500   2HD1  LEU  57          HD12      LEU  57 206.900   8.634  -7.914
  501   3HD1  LEU  57          HD13      LEU  57 208.491   8.396  -8.635
  502   1HD2  LEU  57          HD21      LEU  57 205.925   6.202  -6.592
  503   2HD2  LEU  57          HD22      LEU  57 206.872   7.356  -5.653
  504   3HD2  LEU  57          HD23      LEU  57 207.343   5.657  -5.696
  505    H    THR  58           HN       THR  58 210.854   5.655  -9.584
  506    HA   THR  58           HA       THR  58 211.397   3.000  -8.761
  507    HB   THR  58           HB       THR  58 213.707   3.856  -8.340
  508    HG1  THR  58           HG1      THR  58 213.357   5.938  -7.735
  509   1HG2  THR  58          HG21      THR  58 213.647   3.161 -10.487
  510   2HG2  THR  58          HG22      THR  58 213.917   4.882 -10.763
  511   3HG2  THR  58          HG23      THR  58 212.293   4.209 -10.911
  512    H    VAL  59           HN       VAL  59 212.289   2.265  -6.821
  513    HA   VAL  59           HA       VAL  59 210.877   2.915  -4.531
  514    HB   VAL  59           HB       VAL  59 213.414   1.417  -5.028
  515   1HG1  VAL  59          HG11      VAL  59 213.403   0.754  -2.601
  516   2HG1  VAL  59          HG12      VAL  59 212.292   2.093  -2.311
  517   3HG1  VAL  59          HG13      VAL  59 213.919   2.410  -2.916
  518   1HG2  VAL  59          HG21      VAL  59 212.144  -0.446  -4.768
  519   2HG2  VAL  59          HG22      VAL  59 210.881   0.671  -5.284
  520   3HG2  VAL  59          HG23      VAL  59 211.087   0.305  -3.572
  521    H    GLY  60           HN       GLY  60 213.901   4.209  -5.760
  522   1HA   GLY  60          HA2       GLY  60 214.745   5.568  -3.434
  523   2HA   GLY  60          HA1       GLY  60 215.183   5.996  -5.085
  524    H    GLN  61           HN       GLN  61 212.516   6.423  -6.011
  525    HA   GLN  61           HA       GLN  61 212.147   9.134  -5.163
  526   1HB   GLN  61          HB2       GLN  61 210.527   7.367  -6.995
  527   2HB   GLN  61          HB1       GLN  61 210.235   9.086  -6.748
  528   1HG   GLN  61          HG2       GLN  61 212.506   9.556  -7.533
  529   2HG   GLN  61          HG1       GLN  61 212.727   7.841  -7.858
  530   1HE2  GLN  61          HE21      GLN  61 210.206   7.260  -8.887
  531   2HE2  GLN  61          HE22      GLN  61 210.030   8.037 -10.420
  532    H    PHE  62           HN       PHE  62 210.276   6.137  -4.925
  533    HA   PHE  62           HA       PHE  62 208.044   7.038  -3.574
  534   1HB   PHE  62          HB2       PHE  62 208.589   4.684  -4.450
  535   2HB   PHE  62          HB1       PHE  62 209.377   4.427  -2.896
  536    HD1  PHE  62           HD1      PHE  62 208.019   2.854  -1.861
  537    HD2  PHE  62           HD2      PHE  62 206.268   6.311  -3.609
  538    HE1  PHE  62           HE1      PHE  62 205.847   2.250  -0.870
  539    HE2  PHE  62           HE2      PHE  62 204.095   5.718  -2.624
  540    HZ   PHE  62           HZ       PHE  62 203.884   3.686  -1.257
  541    H    TYR  63           HN       TYR  63 211.188   6.100  -2.262
  542    HA   TYR  63           HA       TYR  63 210.650   6.213   0.456
  543   1HB   TYR  63          HB2       TYR  63 213.058   6.597  -1.241
  544   2HB   TYR  63          HB1       TYR  63 213.159   7.191   0.412
  545    HD1  TYR  63           HD1      TYR  63 213.916   4.533  -1.597
  546    HD2  TYR  63           HD2      TYR  63 212.133   5.363   2.169
  547    HE1  TYR  63           HE1      TYR  63 214.482   2.264  -0.837
  548    HE2  TYR  63           HE2      TYR  63 212.693   3.108   2.943
  549    HH   TYR  63           HH       TYR  63 214.844   1.261   1.845
  550    H    PHE  64           HN       PHE  64 212.321   8.719  -1.339
  551    HA   PHE  64           HA       PHE  64 212.312  10.802   0.358
  552   1HB   PHE  64          HB2       PHE  64 213.401  11.125  -1.679
  553   2HB   PHE  64          HB1       PHE  64 211.999  10.625  -2.615
  554    HD1  PHE  64           HD1      PHE  64 210.514  12.189  -3.483
  555    HD2  PHE  64           HD2      PHE  64 213.353  13.385  -0.546
  556    HE1  PHE  64           HE1      PHE  64 209.950  14.550  -3.903
  557    HE2  PHE  64           HE2      PHE  64 212.791  15.746  -0.956
  558    HZ   PHE  64           HZ       PHE  64 211.089  16.330  -2.638
  559    H    LEU  65           HN       LEU  65 209.502   9.688  -1.466
  560    HA   LEU  65           HA       LEU  65 207.903  11.959  -0.785
  561   1HB   LEU  65          HB2       LEU  65 206.537  11.159  -2.339
  562   2HB   LEU  65          HB1       LEU  65 207.735   9.912  -2.629
  563    HG   LEU  65           HG       LEU  65 206.546   8.588  -0.816
  564   1HD1  LEU  65          HD11      LEU  65 204.551   9.268   0.017
  565   2HD1  LEU  65          HD12      LEU  65 204.069  10.043  -1.492
  566   3HD1  LEU  65          HD13      LEU  65 205.172  10.869  -0.390
  567   1HD2  LEU  65          HD21      LEU  65 205.139   7.574  -2.406
  568   2HD2  LEU  65          HD22      LEU  65 206.460   8.273  -3.344
  569   3HD2  LEU  65          HD23      LEU  65 204.897   9.087  -3.276
  570    H    ILE  66           HN       ILE  66 208.322   8.699   0.489
  571    HA   ILE  66           HA       ILE  66 206.263   8.950   2.462
  572    HB   ILE  66           HB       ILE  66 208.553   7.001   2.200
  573   1HG1  ILE  66          HG12      ILE  66 206.936   6.759   0.425
  574   2HG1  ILE  66          HG11      ILE  66 206.727   5.427   1.556
  575   1HG2  ILE  66          HG21      ILE  66 206.808   5.720   3.797
  576   2HG2  ILE  66          HG22      ILE  66 206.561   7.378   4.344
  577   3HG2  ILE  66          HG23      ILE  66 208.172   6.662   4.401
  578   1HD1  ILE  66          HD11      ILE  66 204.786   6.481   2.506
  579   2HD1  ILE  66          HD12      ILE  66 204.603   6.370   0.755
  580   3HD1  ILE  66          HD13      ILE  66 205.028   7.909   1.503
  581    H    ARG  67           HN       ARG  67 209.749   9.417   2.357
  582    HA   ARG  67           HA       ARG  67 210.417   9.655   5.011
  583   1HB   ARG  67          HB2       ARG  67 211.502  10.545   2.477
  584   2HB   ARG  67          HB1       ARG  67 211.742  11.785   3.701
  585   1HG   ARG  67          HG2       ARG  67 213.363  10.633   4.683
  586   2HG   ARG  67          HG1       ARG  67 212.404   9.152   4.707
  587   1HD   ARG  67          HD2       ARG  67 213.123   8.537   2.549
  588   2HD   ARG  67          HD1       ARG  67 213.769  10.148   2.226
  589    HE   ARG  67           HE       ARG  67 215.148   9.150   4.413
  590   1HH1  ARG  67          HH11      ARG  67 214.716   8.335   1.048
  591   2HH1  ARG  67          HH12      ARG  67 216.279   7.608   0.894
  592   1HH2  ARG  67          HH21      ARG  67 217.205   8.193   4.213
  593   2HH2  ARG  67          HH22      ARG  67 217.693   7.526   2.690
  594    H    LYS  68           HN       LYS  68 208.830  12.081   2.961
  595    HA   LYS  68           HA       LYS  68 208.834  14.137   4.925
  596   1HB   LYS  68          HB2       LYS  68 206.913  13.793   2.627
  597   2HB   LYS  68          HB1       LYS  68 207.290  15.286   3.477
  598   1HG   LYS  68          HG2       LYS  68 209.039  15.687   2.172
  599   2HG   LYS  68          HG1       LYS  68 209.666  14.052   2.391
  600   1HD   LYS  68          HD2       LYS  68 208.198  13.219   0.661
  601   2HD   LYS  68          HD1       LYS  68 207.449  14.807   0.490
  602   1HE   LYS  68          HE2       LYS  68 210.361  14.217  -0.015
  603   2HE   LYS  68          HE1       LYS  68 209.123  14.301  -1.267
  604   1HZ   LYS  68          HZ1       LYS  68 209.107  16.614   0.408
  605   2HZ   LYS  68          HZ2       LYS  68 209.223  16.507  -1.275
  606   3HZ   LYS  68          HZ3       LYS  68 210.616  16.386  -0.324
  607    H    ARG  69           HN       ARG  69 206.430  11.749   3.886
  608    HA   ARG  69           HA       ARG  69 204.306  12.530   5.491
  609   1HB   ARG  69          HB2       ARG  69 205.027   9.679   4.805
  610   2HB   ARG  69          HB1       ARG  69 203.430  10.302   5.197
  611   1HG   ARG  69          HG2       ARG  69 204.636  11.704   2.965
  612   2HG   ARG  69          HG1       ARG  69 204.489   9.970   2.673
  613   1HD   ARG  69          HD2       ARG  69 202.221  10.022   2.688
  614   2HD   ARG  69          HD1       ARG  69 202.149  11.342   3.854
  615    HE   ARG  69           HE       ARG  69 201.992  11.577   1.053
  616   1HH1  ARG  69          HH11      ARG  69 203.440  13.140   3.816
  617   2HH1  ARG  69          HH12      ARG  69 203.478  14.701   3.071
  618   1HH2  ARG  69          HH21      ARG  69 202.041  13.630   0.070
  619   2HH2  ARG  69          HH22      ARG  69 202.683  14.981   0.944
  620    H    ILE  70           HN       ILE  70 207.283  11.035   6.359
  621    HA   ILE  70           HA       ILE  70 206.263  10.492   9.061
  622    HB   ILE  70           HB       ILE  70 208.752   9.321   8.996
  623   1HG1  ILE  70          HG12      ILE  70 207.404   8.515   6.431
  624   2HG1  ILE  70          HG11      ILE  70 208.663   9.746   6.472
  625   1HG2  ILE  70          HG21      ILE  70 206.506   7.603   8.196
  626   2HG2  ILE  70          HG22      ILE  70 206.242   8.597   9.627
  627   3HG2  ILE  70          HG23      ILE  70 207.603   7.477   9.571
  628   1HD1  ILE  70          HD11      ILE  70 210.311   8.246   6.907
  629   2HD1  ILE  70          HD12      ILE  70 209.209   7.217   5.994
  630   3HD1  ILE  70          HD13      ILE  70 209.234   7.137   7.756
  631    H    HIS  71           HN       HIS  71 208.307  12.501   7.230
  632    HA   HIS  71           HA       HIS  71 209.400  14.403   7.853
  633   1HB   HIS  71          HB2       HIS  71 209.294  13.577  10.748
  634   2HB   HIS  71          HB1       HIS  71 209.458  15.196  10.078
  635    HD1  HIS  71           HD1      HIS  71 206.945  14.268   8.023
  636    HD2  HIS  71           HD2      HIS  71 207.034  14.712  12.153
  637    HE1  HIS  71           HE1      HIS  71 204.554  14.634   8.712
  638    HE2  HIS  71           HE2      HIS  71 204.643  14.983  11.205
  639    H    LEU  72           HN       LEU  72 210.801  12.562   6.807
  640    HA   LEU  72           HA       LEU  72 213.236  12.339   8.454
  641   1HB   LEU  72          HB2       LEU  72 212.059  10.412   6.485
  642   2HB   LEU  72          HB1       LEU  72 213.759  10.362   6.918
  643    HG   LEU  72           HG       LEU  72 212.445   8.698   8.141
  644   1HD1  LEU  72          HD11      LEU  72 213.991  10.817   9.442
  645   2HD1  LEU  72          HD12      LEU  72 214.174   9.063   9.511
  646   3HD1  LEU  72          HD13      LEU  72 212.975   9.868  10.527
  647   1HD2  LEU  72          HD21      LEU  72 210.657   9.187   9.514
  648   2HD2  LEU  72          HD22      LEU  72 210.392  10.261   8.139
  649   3HD2  LEU  72          HD23      LEU  72 211.081  10.894   9.636
  650    H    ARG  73           HN       ARG  73 215.122  12.958   7.529
  651    HA   ARG  73           HA       ARG  73 214.916  14.298   4.943
  652   1HB   ARG  73          HB2       ARG  73 217.503  14.714   5.788
  653   2HB   ARG  73          HB1       ARG  73 216.158  15.812   6.053
  654   1HG   ARG  73          HG2       ARG  73 216.905  13.649   8.000
  655   2HG   ARG  73          HG1       ARG  73 217.576  15.279   8.060
  656   1HD   ARG  73          HD2       ARG  73 214.615  14.930   7.948
  657   2HD   ARG  73          HD1       ARG  73 215.454  14.640   9.470
  658    HE   ARG  73           HE       ARG  73 214.916  17.164   8.268
  659   1HH1  ARG  73          HH11      ARG  73 217.232  15.455  10.240
  660   2HH1  ARG  73          HH12      ARG  73 217.814  16.887  11.020
  661   1HH2  ARG  73          HH21      ARG  73 215.681  19.050   9.290
  662   2HH2  ARG  73          HH22      ARG  73 216.932  18.929  10.480
  663    H    ALA  74           HN       ALA  74 216.611  13.928   3.315
  664    HA   ALA  74           HA       ALA  74 216.827  11.350   2.486
  665   1HB   ALA  74          HB1       ALA  74 219.240  12.933   1.923
  666   2HB   ALA  74          HB2       ALA  74 217.710  13.714   1.518
  667   3HB   ALA  74          HB3       ALA  74 218.111  12.145   0.817
  668    H    GLU  75           HN       GLU  75 218.962  13.017   4.721
  669    HA   GLU  75           HA       GLU  75 220.904  10.950   4.867
  670   1HB   GLU  75          HB2       GLU  75 220.353  13.485   6.247
  671   2HB   GLU  75          HB1       GLU  75 221.218  12.285   7.195
  672   1HG   GLU  75          HG2       GLU  75 222.197  12.751   4.455
  673   2HG   GLU  75          HG1       GLU  75 222.424  14.062   5.610
  674    H    ASP  76           HN       ASP  76 218.012  11.761   6.690
  675    HA   ASP  76           HA       ASP  76 218.292  10.057   8.874
  676   1HB   ASP  76          HB2       ASP  76 215.978  11.256   7.446
  677   2HB   ASP  76          HB1       ASP  76 215.658   9.948   8.574
  678    H    ALA  77           HN       ALA  77 217.141   8.068   9.320
  679    HA   ALA  77           HA       ALA  77 217.573   6.186   7.157
  680   1HB   ALA  77          HB1       ALA  77 218.538   5.646   9.306
  681   2HB   ALA  77          HB2       ALA  77 217.313   4.455   8.866
  682   3HB   ALA  77          HB3       ALA  77 216.944   5.701  10.059
  683    H    LEU  78           HN       LEU  78 216.103   4.963   6.208
  684    HA   LEU  78           HA       LEU  78 213.459   4.532   7.115
  685   1HB   LEU  78          HB2       LEU  78 213.076   6.814   6.447
  686   2HB   LEU  78          HB1       LEU  78 213.871   6.543   4.907
  687    HG   LEU  78           HG       LEU  78 212.046   4.983   4.275
  688   1HD1  LEU  78          HD11      LEU  78 211.216   4.179   6.307
  689   2HD1  LEU  78          HD12      LEU  78 209.933   5.216   5.679
  690   3HD1  LEU  78          HD13      LEU  78 210.993   5.803   6.960
  691   1HD2  LEU  78          HD21      LEU  78 211.080   7.722   5.081
  692   2HD2  LEU  78          HD22      LEU  78 210.380   6.681   3.841
  693   3HD2  LEU  78          HD23      LEU  78 211.995   7.354   3.619
  694    H    PHE  79           HN       PHE  79 213.409   2.452   6.527
  695    HA   PHE  79           HA       PHE  79 214.190   1.780   3.764
  696   1HB   PHE  79          HB2       PHE  79 214.246  -0.064   6.162
  697   2HB   PHE  79          HB1       PHE  79 214.813  -0.435   4.539
  698    HD1  PHE  79           HD1      PHE  79 215.424   1.853   7.404
  699    HD2  PHE  79           HD2      PHE  79 217.026  -0.084   3.971
  700    HE1  PHE  79           HE1      PHE  79 217.674   2.638   8.017
  701    HE2  PHE  79           HE2      PHE  79 219.280   0.695   4.579
  702    HZ   PHE  79           HZ       PHE  79 219.605   2.058   6.604
  703    H    PHE  80           HN       PHE  80 212.734   0.761   2.505
  704    HA   PHE  80           HA       PHE  80 210.058   0.442   3.554
  705   1HB   PHE  80          HB2       PHE  80 211.237   0.271   0.789
  706   2HB   PHE  80          HB1       PHE  80 209.576  -0.211   1.116
  707    HD1  PHE  80           HD1      PHE  80 209.099   1.971   3.254
  708    HD2  PHE  80           HD2      PHE  80 210.699   2.051  -0.687
  709    HE1  PHE  80           HE1      PHE  80 208.393   4.314   3.023
  710    HE2  PHE  80           HE2      PHE  80 209.988   4.391  -0.930
  711    HZ   PHE  80           HZ       PHE  80 208.836   5.526   0.926
  712    H    PHE  81           HN       PHE  81 208.895  -1.453   3.637
  713    HA   PHE  81           HA       PHE  81 210.359  -3.926   3.092
  714   1HB   PHE  81          HB2       PHE  81 208.868  -3.314   5.649
  715   2HB   PHE  81          HB1       PHE  81 209.555  -4.881   5.225
  716    HD1  PHE  81           HD1      PHE  81 210.301  -1.441   6.222
  717    HD2  PHE  81           HD2      PHE  81 211.928  -5.261   5.294
  718    HE1  PHE  81           HE1      PHE  81 212.465  -0.741   7.158
  719    HE2  PHE  81           HE2      PHE  81 214.096  -4.570   6.230
  720    HZ   PHE  81           HZ       PHE  81 214.373  -2.305   7.155
  721    H    VAL  82           HN       VAL  82 209.226  -4.932   1.598
  722    HA   VAL  82           HA       VAL  82 206.288  -4.917   1.799
  723    HB   VAL  82           HB       VAL  82 207.312  -3.880  -0.279
  724   1HG1  VAL  82          HG11      VAL  82 207.823  -6.694  -1.180
  725   2HG1  VAL  82          HG12      VAL  82 209.086  -5.727  -0.416
  726   3HG1  VAL  82          HG13      VAL  82 208.342  -5.178  -1.919
  727   1HG2  VAL  82          HG21      VAL  82 205.640  -6.236  -1.038
  728   2HG2  VAL  82          HG22      VAL  82 205.544  -4.564  -1.595
  729   3HG2  VAL  82          HG23      VAL  82 204.985  -4.989   0.023
  730    H    ASN  83           HN       ASN  83 205.432  -6.789   2.427
  731    HA   ASN  83           HA       ASN  83 205.154  -9.018   2.822
  732   1HB   ASN  83          HB2       ASN  83 207.227  -9.469   0.659
  733   2HB   ASN  83          HB1       ASN  83 206.044 -10.630   1.252
  734   1HD2  ASN  83          HD21      ASN  83 203.735  -9.326   1.276
  735   2HD2  ASN  83          HD22      ASN  83 203.309  -8.768  -0.303
  736    H    ASN  84           HN       ASN  84 207.357  -7.275   3.927
  737    HA   ASN  84           HA       ASN  84 208.688  -7.579   5.770
  738   1HB   ASN  84          HB2       ASN  84 207.672 -10.021   5.741
  739   2HB   ASN  84          HB1       ASN  84 209.277 -10.439   5.149
  740   1HD2  ASN  84          HD21      ASN  84 207.854  -8.352   7.647
  741   2HD2  ASN  84          HD22      ASN  84 208.934  -8.836   8.904
  742    H    VAL  85           HN       VAL  85 209.421  -7.679   2.603
  743    HA   VAL  85           HA       VAL  85 212.306  -7.929   3.115
  744    HB   VAL  85           HB       VAL  85 211.408  -9.570   1.546
  745   1HG1  VAL  85          HG11      VAL  85 210.230  -7.217   0.328
  746   2HG1  VAL  85          HG12      VAL  85 209.783  -8.915   0.171
  747   3HG1  VAL  85          HG13      VAL  85 211.068  -8.246  -0.833
  748   1HG2  VAL  85          HG21      VAL  85 213.173  -7.695   0.026
  749   2HG2  VAL  85          HG22      VAL  85 213.184  -9.459   0.030
  750   3HG2  VAL  85          HG23      VAL  85 213.752  -8.570   1.444
  751    H    ILE  86           HN       ILE  86 213.702  -6.590   1.860
  752    HA   ILE  86           HA       ILE  86 212.647  -3.877   1.625
  753    HB   ILE  86           HB       ILE  86 215.500  -4.856   1.568
  754   1HG1  ILE  86          HG12      ILE  86 213.644  -3.990   3.736
  755   2HG1  ILE  86          HG11      ILE  86 214.879  -5.244   3.750
  756   1HG2  ILE  86          HG21      ILE  86 216.222  -2.699   1.379
  757   2HG2  ILE  86          HG22      ILE  86 214.787  -2.034   2.158
  758   3HG2  ILE  86          HG23      ILE  86 214.712  -2.560   0.477
  759   1HD1  ILE  86          HD11      ILE  86 215.377  -2.284   3.852
  760   2HD1  ILE  86          HD12      ILE  86 216.609  -3.546   3.893
  761   3HD1  ILE  86          HD13      ILE  86 215.453  -3.397   5.215
  762    HA   PRO  87           HA       PRO  87 212.725  -4.386  -2.834
  763   1HB   PRO  87          HB2       PRO  87 211.614  -2.036  -3.484
  764   2HB   PRO  87          HB1       PRO  87 210.664  -3.332  -2.748
  765   1HG   PRO  87          HG2       PRO  87 211.844  -0.893  -1.477
  766   2HG   PRO  87          HG1       PRO  87 210.243  -1.615  -1.238
  767   1HD   PRO  87          HD2       PRO  87 212.363  -1.994   0.461
  768   2HD   PRO  87          HD1       PRO  87 211.028  -3.146   0.272
  769    HA   PRO  88           HA       PRO  88 216.461  -2.262  -3.935
  770   1HB   PRO  88          HB2       PRO  88 215.755  -2.570  -6.751
  771   2HB   PRO  88          HB1       PRO  88 217.027  -3.373  -5.827
  772   1HG   PRO  88          HG2       PRO  88 214.842  -4.687  -6.726
  773   2HG   PRO  88          HG1       PRO  88 215.664  -5.123  -5.217
  774   1HD   PRO  88          HD2       PRO  88 213.169  -3.508  -5.614
  775   2HD   PRO  88          HD1       PRO  88 213.510  -4.784  -4.423
  776    H    THR  89           HN       THR  89 216.896  -0.153  -4.021
  777    HA   THR  89           HA       THR  89 215.050   1.852  -4.468
  778    HB   THR  89           HB       THR  89 217.072   3.343  -4.832
  779    HG1  THR  89           HG1      THR  89 218.366   0.848  -4.528
  780   1HG2  THR  89          HG21      THR  89 216.201   3.075  -2.609
  781   2HG2  THR  89          HG22      THR  89 217.966   3.059  -2.564
  782   3HG2  THR  89          HG23      THR  89 217.066   1.548  -2.421
  783    H    SER  90           HN       SER  90 216.898   0.044  -6.774
  784    HA   SER  90           HA       SER  90 216.509   1.897  -8.940
  785   1HB   SER  90          HB2       SER  90 217.739   0.400 -10.259
  786   2HB   SER  90          HB1       SER  90 218.419   0.170  -8.648
  787    HG   SER  90           HG       SER  90 217.227  -1.701  -8.433
  788    H    ALA  91           HN       ALA  91 214.827  -0.847  -7.615
  789    HA   ALA  91           HA       ALA  91 213.258  -1.528  -9.852
  790   1HB   ALA  91          HB1       ALA  91 212.591  -1.819  -6.923
  791   2HB   ALA  91          HB2       ALA  91 213.473  -2.988  -7.907
  792   3HB   ALA  91          HB3       ALA  91 211.779  -2.642  -8.257
  793    H    THR  92           HN       THR  92 211.056  -1.051 -10.306
  794    HA   THR  92           HA       THR  92 210.306   1.668  -9.504
  795    HB   THR  92           HB       THR  92 208.929   1.733 -11.490
  796    HG1  THR  92           HG1      THR  92 208.625  -0.026 -12.769
  797   1HG2  THR  92          HG21      THR  92 211.400   0.389 -12.483
  798   2HG2  THR  92          HG22      THR  92 211.494   1.956 -11.680
  799   3HG2  THR  92          HG23      THR  92 210.529   1.772 -13.146
  800    H    MET  93           HN       MET  93 208.238   2.171  -8.784
  801    HA   MET  93           HA       MET  93 207.024   0.490  -6.977
  802   1HB   MET  93          HB2       MET  93 205.983   2.841  -8.524
  803   2HB   MET  93          HB1       MET  93 204.951   1.972  -7.399
  804   1HG   MET  93          HG2       MET  93 207.569   2.768  -6.342
  805   2HG   MET  93          HG1       MET  93 206.480   4.090  -6.753
  806   1HE   MET  93          HE1       MET  93 205.030   0.685  -4.027
  807   2HE   MET  93          HE2       MET  93 206.732   0.727  -4.487
  808   3HE   MET  93          HE3       MET  93 205.487   0.551  -5.726
  809    H    GLY  94           HN       GLY  94 206.265   0.911 -10.410
  810   1HA   GLY  94          HA2       GLY  94 203.960  -0.683 -10.505
  811   2HA   GLY  94          HA1       GLY  94 205.047  -0.393 -11.856
  812    H    GLN  95           HN       GLN  95 207.366  -1.536 -10.556
  813    HA   GLN  95           HA       GLN  95 206.966  -4.252 -11.286
  814   1HB   GLN  95          HB2       GLN  95 209.306  -2.920  -9.905
  815   2HB   GLN  95          HB1       GLN  95 209.317  -4.555 -10.553
  816   1HG   GLN  95          HG2       GLN  95 208.467  -2.613 -12.524
  817   2HG   GLN  95          HG1       GLN  95 210.063  -2.246 -11.872
  818   1HE2  GLN  95          HE21      GLN  95 210.932  -2.709 -13.939
  819   2HE2  GLN  95          HE22      GLN  95 211.171  -4.340 -14.455
  820    H    LEU  96           HN       LEU  96 207.571  -2.605  -8.191
  821    HA   LEU  96           HA       LEU  96 207.578  -4.834  -6.529
  822   1HB   LEU  96          HB2       LEU  96 206.386  -2.137  -5.870
  823   2HB   LEU  96          HB1       LEU  96 206.959  -3.333  -4.723
  824    HG   LEU  96           HG       LEU  96 208.656  -1.761  -6.659
  825   1HD1  LEU  96          HD11      LEU  96 208.388  -0.250  -5.000
  826   2HD1  LEU  96          HD12      LEU  96 209.634  -1.223  -4.220
  827   3HD1  LEU  96          HD13      LEU  96 207.936  -1.472  -3.811
  828   1HD2  LEU  96          HD21      LEU  96 209.572  -3.720  -4.563
  829   2HD2  LEU  96          HD22      LEU  96 210.556  -2.885  -5.765
  830   3HD2  LEU  96          HD23      LEU  96 209.407  -4.123  -6.272
  831    H    TYR  97           HN       TYR  97 204.923  -2.984  -7.872
  832    HA   TYR  97           HA       TYR  97 202.823  -4.177  -6.434
  833   1HB   TYR  97          HB2       TYR  97 202.507  -2.120  -7.711
  834   2HB   TYR  97          HB1       TYR  97 202.843  -2.975  -9.213
  835    HD1  TYR  97           HD1      TYR  97 200.336  -2.046  -6.828
  836    HD2  TYR  97           HD2      TYR  97 201.236  -4.794  -9.944
  837    HE1  TYR  97           HE1      TYR  97 197.942  -2.559  -7.058
  838    HE2  TYR  97           HE2      TYR  97 198.845  -5.316 -10.186
  839    HH   TYR  97           HH       TYR  97 196.799  -5.198  -8.937
  840    H    GLN  98           HN       GLN  98 203.979  -4.846  -9.741
  841    HA   GLN  98           HA       GLN  98 202.398  -7.146 -10.123
  842   1HB   GLN  98          HB2       GLN  98 204.997  -6.362 -11.429
  843   2HB   GLN  98          HB1       GLN  98 203.871  -7.571 -12.032
  844   1HG   GLN  98          HG2       GLN  98 202.220  -5.465 -11.839
  845   2HG   GLN  98          HG1       GLN  98 203.744  -4.632 -12.145
  846   1HE2  GLN  98          HE21      GLN  98 204.968  -5.317 -14.039
  847   2HE2  GLN  98          HE22      GLN  98 204.110  -5.859 -15.437
  848    H    GLU  99           HN       GLU  99 205.375  -6.645  -8.447
  849    HA   GLU  99           HA       GLU  99 205.883  -9.535  -8.378
  850   1HB   GLU  99          HB2       GLU  99 207.627  -7.143  -7.964
  851   2HB   GLU  99          HB1       GLU  99 208.097  -8.711  -7.324
  852   1HG   GLU  99          HG2       GLU  99 209.155  -8.652  -9.369
  853   2HG   GLU  99          HG1       GLU  99 207.687  -9.567  -9.711
  854    H    HIS 100           HN       HIS 100 204.236  -7.378  -6.507
  855    HA   HIS 100           HA       HIS 100 204.555  -9.083  -4.190
  856   1HB   HIS 100          HB2       HIS 100 205.218  -6.144  -4.000
  857   2HB   HIS 100          HB1       HIS 100 205.071  -7.244  -2.636
  858    HD1  HIS 100           HD1      HIS 100 207.052  -8.741  -2.113
  859    HD2  HIS 100           HD2      HIS 100 207.527  -6.567  -5.622
  860    HE1  HIS 100           HE1      HIS 100 209.458  -9.047  -2.773
  861    HE2  HIS 100           HE2      HIS 100 209.745  -7.650  -4.850
  862    H    HIS 101           HN       HIS 101 202.445  -7.661  -6.143
  863    HA   HIS 101           HA       HIS 101 200.691  -6.350  -4.326
  864   1HB   HIS 101          HB2       HIS 101 199.040  -6.412  -6.088
  865   2HB   HIS 101          HB1       HIS 101 200.597  -6.001  -6.790
  866    HD1  HIS 101           HD1      HIS 101 197.793  -8.243  -7.188
  867    HD2  HIS 101           HD2      HIS 101 201.850  -8.381  -8.078
  868    HE1  HIS 101           HE1      HIS 101 198.050 -10.082  -8.883
  869    HE2  HIS 101           HE2      HIS 101 200.501 -10.097  -9.462
  870    H    GLU 102           HN       GLU 102 200.056  -7.467  -2.576
  871    HA   GLU 102           HA       GLU 102 199.514 -10.258  -2.594
  872   1HB   GLU 102          HB2       GLU 102 198.955  -8.078  -0.586
  873   2HB   GLU 102          HB1       GLU 102 198.523  -9.760  -0.304
  874   1HG   GLU 102          HG2       GLU 102 201.205  -9.781  -1.109
  875   2HG   GLU 102          HG1       GLU 102 201.047  -8.443   0.027
  876    H    GLU 103           HN       GLU 103 198.047  -9.878  -4.581
  877    HA   GLU 103           HA       GLU 103 195.976  -9.978  -5.514
  878   1HB   GLU 103          HB2       GLU 103 195.906 -11.488  -3.183
  879   2HB   GLU 103          HB1       GLU 103 194.469 -10.482  -3.071
  880   1HG   GLU 103          HG2       GLU 103 193.688 -12.353  -4.158
  881   2HG   GLU 103          HG1       GLU 103 194.026 -11.254  -5.495
  882    H    ASP 104           HN       ASP 104 193.438  -9.343  -4.497
  883    HA   ASP 104           HA       ASP 104 192.043  -7.550  -4.407
  884   1HB   ASP 104          HB2       ASP 104 193.386  -5.807  -2.613
  885   2HB   ASP 104          HB1       ASP 104 192.052  -6.902  -2.274
  886    H    PHE 105           HN       PHE 105 194.375  -7.422  -6.309
  887    HA   PHE 105           HA       PHE 105 195.404  -5.939  -7.713
  888   1HB   PHE 105          HB2       PHE 105 192.818  -4.456  -7.197
  889   2HB   PHE 105          HB1       PHE 105 193.927  -4.118  -8.522
  890    HD1  PHE 105           HD1      PHE 105 193.313  -4.950 -10.560
  891    HD2  PHE 105           HD2      PHE 105 192.213  -7.097  -7.055
  892    HE1  PHE 105           HE1      PHE 105 192.166  -6.624 -11.948
  893    HE2  PHE 105           HE2      PHE 105 191.067  -8.774  -8.437
  894    HZ   PHE 105           HZ       PHE 105 191.040  -8.540 -10.889
  895    H    PHE 106           HN       PHE 106 195.824  -5.552  -4.770
  896    HA   PHE 106           HA       PHE 106 196.564  -2.707  -4.786
  897   1HB   PHE 106          HB2       PHE 106 195.294  -4.403  -2.772
  898   2HB   PHE 106          HB1       PHE 106 196.670  -3.500  -2.148
  899    HD1  PHE 106           HD1      PHE 106 194.497  -2.327  -4.863
  900    HD2  PHE 106           HD2      PHE 106 195.447  -2.044  -0.723
  901    HE1  PHE 106           HE1      PHE 106 193.082  -0.308  -4.674
  902    HE2  PHE 106           HE2      PHE 106 194.034  -0.037  -0.528
  903    HZ   PHE 106           HZ       PHE 106 192.852   0.832  -2.505
  904    H    LEU 107           HN       LEU 107 198.392  -2.175  -3.396
  905    HA   LEU 107           HA       LEU 107 200.482  -4.231  -3.291
  906   1HB   LEU 107          HB2       LEU 107 200.958  -3.033  -5.304
  907   2HB   LEU 107          HB1       LEU 107 200.643  -1.486  -4.546
  908    HG   LEU 107           HG       LEU 107 203.042  -1.837  -4.991
  909   1HD1  LEU 107          HD11      LEU 107 202.033  -0.639  -2.908
  910   2HD1  LEU 107          HD12      LEU 107 203.768  -0.862  -3.093
  911   3HD1  LEU 107          HD13      LEU 107 202.846  -1.941  -2.046
  912   1HD2  LEU 107          HD21      LEU 107 203.847  -3.902  -4.748
  913   2HD2  LEU 107          HD22      LEU 107 202.480  -4.401  -3.751
  914   3HD2  LEU 107          HD23      LEU 107 203.865  -3.596  -3.011
  915    H    TYR 108           HN       TYR 108 200.628  -4.397  -1.076
  916    HA   TYR 108           HA       TYR 108 200.611  -1.900   0.454
  917   1HB   TYR 108          HB2       TYR 108 199.685  -3.023   2.209
  918   2HB   TYR 108          HB1       TYR 108 199.170  -4.096   0.917
  919    HD1  TYR 108           HD1      TYR 108 201.693  -5.612   0.419
  920    HD2  TYR 108           HD2      TYR 108 199.833  -4.351   4.012
  921    HE1  TYR 108           HE1      TYR 108 202.749  -7.494   1.605
  922    HE2  TYR 108           HE2      TYR 108 200.883  -6.228   5.230
  923    HH   TYR 108           HH       TYR 108 202.727  -7.742   5.039
  924    H    ILE 109           HN       ILE 109 202.246  -1.210   1.695
  925    HA   ILE 109           HA       ILE 109 204.735  -2.770   1.721
  926    HB   ILE 109           HB       ILE 109 204.435   0.102   0.866
  927   1HG1  ILE 109          HG12      ILE 109 204.924  -2.476  -0.570
  928   2HG1  ILE 109          HG11      ILE 109 203.806  -1.175  -0.943
  929   1HG2  ILE 109          HG21      ILE 109 206.473  -0.023   2.083
  930   2HG2  ILE 109          HG22      ILE 109 206.902  -0.064   0.374
  931   3HG2  ILE 109          HG23      ILE 109 206.912  -1.553   1.319
  932   1HD1  ILE 109          HD11      ILE 109 205.703   0.222  -1.641
  933   2HD1  ILE 109          HD12      ILE 109 205.549  -1.257  -2.592
  934   3HD1  ILE 109          HD13      ILE 109 206.782  -1.138  -1.332
  935    H    ALA 110           HN       ALA 110 206.370  -1.855   3.205
  936    HA   ALA 110           HA       ALA 110 205.223  -0.301   5.433
  937   1HB   ALA 110          HB1       ALA 110 206.706  -1.761   6.927
  938   2HB   ALA 110          HB2       ALA 110 206.723  -2.893   5.576
  939   3HB   ALA 110          HB3       ALA 110 205.195  -2.452   6.338
  940    H    TYR 111           HN       TYR 111 206.917   0.608   6.841
  941    HA   TYR 111           HA       TYR 111 209.519   0.981   5.584
  942   1HB   TYR 111          HB2       TYR 111 209.394   3.361   5.455
  943   2HB   TYR 111          HB1       TYR 111 207.972   2.727   4.640
  944    HD1  TYR 111           HD1      TYR 111 209.148   4.234   7.791
  945    HD2  TYR 111           HD2      TYR 111 205.817   3.339   5.339
  946    HE1  TYR 111           HE1      TYR 111 207.722   5.599   9.258
  947    HE2  TYR 111           HE2      TYR 111 204.366   4.702   6.775
  948    HH   TYR 111           HH       TYR 111 204.318   5.541   9.069
  949    H    SER 112           HN       SER 112 211.095   1.081   7.058
  950    HA   SER 112           HA       SER 112 210.422   1.813   9.841
  951   1HB   SER 112          HB2       SER 112 210.741  -0.332  10.404
  952   2HB   SER 112          HB1       SER 112 211.373  -0.741   8.813
  953    HG   SER 112           HG       SER 112 212.734   0.111  11.115
  954    H    ASP 113           HN       ASP 113 212.453   2.216  11.141
  955    HA   ASP 113           HA       ASP 113 214.168   3.983   9.597
  956   1HB   ASP 113          HB2       ASP 113 213.170   4.784  11.706
  957   2HB   ASP 113          HB1       ASP 113 214.028   3.518  12.585
  958    H    GLU 114           HN       GLU 114 214.262   0.834   9.969
  959    HA   GLU 114           HA       GLU 114 217.196   0.734  10.096
  960   1HB   GLU 114          HB2       GLU 114 215.458  -1.411  11.302
  961   2HB   GLU 114          HB1       GLU 114 217.197  -1.204  11.468
  962   1HG   GLU 114          HG2       GLU 114 216.204   1.150  12.470
  963   2HG   GLU 114          HG1       GLU 114 215.017  -0.040  13.002
  964    H    SER 115           HN       SER 115 217.895  -1.586   9.357
  965    HA   SER 115           HA       SER 115 216.803  -1.895   6.706
  966   1HB   SER 115          HB2       SER 115 218.602  -3.627   6.446
  967   2HB   SER 115          HB1       SER 115 219.193  -2.029   6.906
  968    HG   SER 115           HG       SER 115 219.969  -4.018   8.095
  969    H    VAL 116           HN       VAL 116 215.691  -3.006   9.539
  970    HA   VAL 116           HA       VAL 116 214.791  -5.553   8.393
  971    HB   VAL 116           HB       VAL 116 214.098  -5.434  11.147
  972   1HG1  VAL 116          HG11      VAL 116 215.980  -7.083   9.495
  973   2HG1  VAL 116          HG12      VAL 116 214.403  -7.519  10.155
  974   3HG1  VAL 116          HG13      VAL 116 215.795  -7.359  11.227
  975   1HG2  VAL 116          HG21      VAL 116 216.442  -5.406  12.112
  976   2HG2  VAL 116          HG22      VAL 116 215.771  -3.843  11.651
  977   3HG2  VAL 116          HG23      VAL 116 216.951  -4.637  10.610
  978    H    TYR 117           HN       TYR 117 212.538  -6.069   8.843
  979    HA   TYR 117           HA       TYR 117 210.812  -3.943   8.231
  980   1HB   TYR 117          HB2       TYR 117 210.113  -6.143   7.632
  981   2HB   TYR 117          HB1       TYR 117 210.272  -6.720   9.290
  982    HD1  TYR 117           HD1      TYR 117 208.170  -7.335  10.047
  983    HD2  TYR 117           HD2      TYR 117 208.594  -3.716   7.859
  984    HE1  TYR 117           HE1      TYR 117 205.809  -6.806  10.475
  985    HE2  TYR 117           HE2      TYR 117 206.234  -3.181   8.268
  986    HH   TYR 117           HH       TYR 117 204.143  -4.360   8.815
  987    H    GLY 118           HN       GLY 118 211.729  -2.511   9.997
  988   1HA   GLY 118          HA2       GLY 118 211.312  -1.301  11.902
  989   2HA   GLY 118          HA1       GLY 118 209.782  -2.161  12.012
  990    H    LEU 119           HN       LEU 119 210.078  -4.524  12.684
  991    HA   LEU 119           HA       LEU 119 210.496  -4.991  15.189
  992   1HB   LEU 119          HB2       LEU 119 211.390  -6.659  12.873
  993   2HB   LEU 119          HB1       LEU 119 211.618  -7.235  14.518
  994    HG   LEU 119           HG       LEU 119 208.906  -6.268  14.049
  995   1HD1  LEU 119          HD11      LEU 119 209.271  -8.867  12.731
  996   2HD1  LEU 119          HD12      LEU 119 209.901  -7.485  11.834
  997   3HD1  LEU 119          HD13      LEU 119 208.204  -7.523  12.320
  998   1HD2  LEU 119          HD21      LEU 119 209.996  -8.922  14.967
  999   2HD2  LEU 119          HD22      LEU 119 208.335  -8.353  15.139
 1000   3HD2  LEU 119          HD23      LEU 119 209.641  -7.542  16.007
  Start of MODEL    2
    1   1H    GLY   1          HT1       GLY   1 210.201 -14.444   7.710
    2   2H    GLY   1          HT2       GLY   1 208.982 -14.029   6.613
    3   3H    GLY   1          HT3       GLY   1 208.605 -14.928   7.995
    4   1HA   GLY   1          HA1       GLY   1 209.719 -12.793   9.129
    5   2HA   GLY   1          HA2       GLY   1 209.017 -12.070   7.688
    6    H    SER   2           HN       SER   2 207.789 -10.942   9.467
    7    HA   SER   2           HA       SER   2 205.188 -12.154   9.669
    8   1HB   SER   2          HB2       SER   2 206.549 -13.031  11.657
    9   2HB   SER   2          HB1       SER   2 206.501 -11.378  12.270
   10    HG   SER   2           HG       SER   2 204.133 -11.596  11.977
   11    H    MET   3           HN       MET   3 204.616 -10.325   8.431
   12    HA   MET   3           HA       MET   3 205.092  -7.683   9.452
   13   1HB   MET   3          HB2       MET   3 203.530  -8.741   7.109
   14   2HB   MET   3          HB1       MET   3 203.510  -7.039   7.548
   15   1HG   MET   3          HG2       MET   3 206.109  -7.291   7.454
   16   2HG   MET   3          HG1       MET   3 205.728  -8.686   6.449
   17   1HE   MET   3          HE1       MET   3 206.850  -5.148   6.110
   18   2HE   MET   3          HE2       MET   3 205.336  -4.892   6.984
   19   3HE   MET   3          HE3       MET   3 205.512  -4.294   5.336
   20    H    LYS   4           HN       LYS   4 203.468  -6.165  10.035
   21    HA   LYS   4           HA       LYS   4 200.912  -7.293  10.920
   22   1HB   LYS   4          HB2       LYS   4 203.065  -6.178  12.613
   23   2HB   LYS   4          HB1       LYS   4 201.440  -5.608  12.977
   24   1HG   LYS   4          HG2       LYS   4 201.705  -7.446  14.366
   25   2HG   LYS   4          HG1       LYS   4 200.789  -8.089  13.001
   26   1HD   LYS   4          HD2       LYS   4 202.362  -9.638  12.731
   27   2HD   LYS   4          HD1       LYS   4 203.505  -8.358  12.321
   28   1HE   LYS   4          HE2       LYS   4 202.924  -9.393  15.095
   29   2HE   LYS   4          HE1       LYS   4 204.351  -9.768  14.129
   30   1HZ   LYS   4          HZ1       LYS   4 204.345  -7.850  15.912
   31   2HZ   LYS   4          HZ2       LYS   4 203.745  -6.950  14.612
   32   3HZ   LYS   4          HZ3       LYS   4 205.241  -7.725  14.482
   33    H    PHE   5           HN       PHE   5 199.517  -6.156   9.713
   34    HA   PHE   5           HA       PHE   5 199.890  -3.236   9.541
   35   1HB   PHE   5          HB2       PHE   5 198.669  -5.200   7.608
   36   2HB   PHE   5          HB1       PHE   5 198.365  -3.469   7.493
   37    HD1  PHE   5           HD1      PHE   5 201.412  -5.522   8.150
   38    HD2  PHE   5           HD2      PHE   5 199.536  -2.545   5.761
   39    HE1  PHE   5           HE1      PHE   5 203.486  -5.246   6.871
   40    HE2  PHE   5           HE2      PHE   5 201.612  -2.268   4.472
   41    HZ   PHE   5           HZ       PHE   5 203.594  -3.621   5.026
   42    H    VAL   6           HN       VAL   6 197.605  -2.242   8.863
   43    HA   VAL   6           HA       VAL   6 195.465  -3.378  10.486
   44    HB   VAL   6           HB       VAL   6 195.239  -0.664  11.050
   45   1HG1  VAL   6          HG11      VAL   6 194.593  -2.384  12.571
   46   2HG1  VAL   6          HG12      VAL   6 195.795  -1.375  13.375
   47   3HG1  VAL   6          HG13      VAL   6 196.257  -2.948  12.726
   48   1HG2  VAL   6          HG21      VAL   6 197.426  -0.047  10.510
   49   2HG2  VAL   6          HG22      VAL   6 198.114  -1.513  11.209
   50   3HG2  VAL   6          HG23      VAL   6 197.450  -0.262  12.259
   51    H    TYR   7           HN       TYR   7 195.950  -0.169   8.992
   52    HA   TYR   7           HA       TYR   7 193.439   0.101   7.919
   53   1HB   TYR   7          HB2       TYR   7 195.370   1.794   7.929
   54   2HB   TYR   7          HB1       TYR   7 195.879   1.040   6.421
   55    HD1  TYR   7           HD1      TYR   7 192.782   2.454   7.967
   56    HD2  TYR   7           HD2      TYR   7 195.134   1.982   4.451
   57    HE1  TYR   7           HE1      TYR   7 191.205   3.875   6.729
   58    HE2  TYR   7           HE2      TYR   7 193.563   3.404   3.205
   59    HH   TYR   7           HH       TYR   7 191.500   5.433   4.485
   60    H    LYS   8           HN       LYS   8 196.250  -1.477   6.461
   61    HA   LYS   8           HA       LYS   8 194.882  -2.187   4.049
   62   1HB   LYS   8          HB2       LYS   8 196.943  -2.800   3.326
   63   2HB   LYS   8          HB1       LYS   8 197.518  -2.039   4.803
   64   1HG   LYS   8          HG2       LYS   8 198.574  -4.093   4.825
   65   2HG   LYS   8          HG1       LYS   8 197.181  -4.370   5.867
   66   1HD   LYS   8          HD2       LYS   8 196.131  -5.040   3.480
   67   2HD   LYS   8          HD1       LYS   8 197.819  -5.473   3.204
   68   1HE   LYS   8          HE2       LYS   8 196.470  -6.343   5.721
   69   2HE   LYS   8          HE1       LYS   8 196.146  -7.212   4.221
   70   1HZ   LYS   8          HZ1       LYS   8 198.770  -7.154   4.113
   71   2HZ   LYS   8          HZ2       LYS   8 197.938  -8.371   4.943
   72   3HZ   LYS   8          HZ3       LYS   8 198.603  -7.069   5.794
   73    H    GLU   9           HN       GLU   9 195.466  -3.651   7.165
   74    HA   GLU   9           HA       GLU   9 194.618  -6.270   6.470
   75   1HB   GLU   9          HB2       GLU   9 195.597  -4.906   8.815
   76   2HB   GLU   9          HB1       GLU   9 194.239  -5.944   9.222
   77   1HG   GLU   9          HG2       GLU   9 195.998  -7.360   7.483
   78   2HG   GLU   9          HG1       GLU   9 196.929  -6.666   8.810
   79    H    GLU  10           HN       GLU  10 193.094  -3.808   8.537
   80    HA   GLU  10           HA       GLU  10 190.652  -4.947   8.949
   81   1HB   GLU  10          HB2       GLU  10 191.268  -2.030   8.460
   82   2HB   GLU  10          HB1       GLU  10 189.754  -2.625   9.128
   83   1HG   GLU  10          HG2       GLU  10 191.230  -3.730  10.922
   84   2HG   GLU  10          HG1       GLU  10 192.481  -2.627  10.354
   85    H    HIS  11           HN       HIS  11 191.272  -2.571   6.345
   86    HA   HIS  11           HA       HIS  11 188.886  -2.729   5.000
   87   1HB   HIS  11          HB2       HIS  11 191.674  -2.123   4.206
   88   2HB   HIS  11          HB1       HIS  11 190.560  -2.496   2.894
   89    HD1  HIS  11           HD1      HIS  11 191.370   0.101   5.426
   90    HD2  HIS  11           HD2      HIS  11 188.476  -0.618   2.533
   91    HE1  HIS  11           HE1      HIS  11 190.150   2.281   5.139
   92    HE2  HIS  11           HE2      HIS  11 188.343   1.795   3.452
   93    HA   PRO  12           HA       PRO  12 188.762  -7.242   4.291
   94   1HB   PRO  12          HB2       PRO  12 186.557  -6.497   2.527
   95   2HB   PRO  12          HB1       PRO  12 186.553  -7.547   3.941
   96   1HG   PRO  12          HG2       PRO  12 185.635  -4.859   3.760
   97   2HG   PRO  12          HG1       PRO  12 185.686  -5.894   5.190
   98   1HD   PRO  12          HD2       PRO  12 187.237  -3.597   4.726
   99   2HD   PRO  12          HD1       PRO  12 187.478  -4.798   6.004
  100    H    PHE  13           HN       PHE  13 188.550  -8.544   2.241
  101    HA   PHE  13           HA       PHE  13 190.448  -7.600   0.342
  102   1HB   PHE  13          HB2       PHE  13 190.005 -10.029   1.077
  103   2HB   PHE  13          HB1       PHE  13 188.666  -9.990  -0.064
  104    HD1  PHE  13           HD1      PHE  13 189.201  -9.412  -2.495
  105    HD2  PHE  13           HD2      PHE  13 192.164 -10.506   0.359
  106    HE1  PHE  13           HE1      PHE  13 190.739 -10.010  -4.319
  107    HE2  PHE  13           HE2      PHE  13 193.704 -11.102  -1.461
  108    HZ   PHE  13           HZ       PHE  13 192.991 -10.856  -3.803
  109    H    GLU  14           HN       GLU  14 186.949  -8.086   0.316
  110    HA   GLU  14           HA       GLU  14 186.479  -7.521  -2.379
  111   1HB   GLU  14          HB2       GLU  14 184.920  -8.073  -0.137
  112   2HB   GLU  14          HB1       GLU  14 184.396  -6.471  -0.641
  113   1HG   GLU  14          HG2       GLU  14 183.906  -7.297  -2.862
  114   2HG   GLU  14          HG1       GLU  14 184.515  -8.892  -2.426
  115    H    LYS  15           HN       LYS  15 187.419  -5.477   0.200
  116    HA   LYS  15           HA       LYS  15 186.528  -3.032  -1.064
  117   1HB   LYS  15          HB2       LYS  15 188.399  -3.253   1.287
  118   2HB   LYS  15          HB1       LYS  15 187.330  -1.923   0.865
  119   1HG   LYS  15          HG2       LYS  15 186.134  -4.570   1.459
  120   2HG   LYS  15          HG1       LYS  15 186.740  -3.582   2.785
  121   1HD   LYS  15          HD2       LYS  15 185.108  -2.057   2.573
  122   2HD   LYS  15          HD1       LYS  15 185.114  -2.157   0.806
  123   1HE   LYS  15          HE2       LYS  15 183.258  -3.358   0.909
  124   2HE   LYS  15          HE1       LYS  15 184.167  -4.627   1.727
  125   1HZ   LYS  15          HZ1       LYS  15 182.307  -2.682   2.817
  126   2HZ   LYS  15          HZ2       LYS  15 183.680  -2.984   3.758
  127   3HZ   LYS  15          HZ3       LYS  15 182.651  -4.257   3.330
  128    H    ARG  16           HN       ARG  16 189.681  -4.373  -0.079
  129    HA   ARG  16           HA       ARG  16 191.263  -2.510  -1.435
  130   1HB   ARG  16          HB2       ARG  16 191.828  -5.385  -0.707
  131   2HB   ARG  16          HB1       ARG  16 193.046  -4.265  -1.299
  132   1HG   ARG  16          HG2       ARG  16 192.807  -2.882   0.635
  133   2HG   ARG  16          HG1       ARG  16 191.414  -3.816   1.188
  134   1HD   ARG  16          HD2       ARG  16 193.262  -4.548   2.473
  135   2HD   ARG  16          HD1       ARG  16 192.942  -5.816   1.290
  136    HE   ARG  16           HE       ARG  16 194.924  -3.893   0.464
  137   1HH1  ARG  16          HH11      ARG  16 194.352  -6.899   2.144
  138   2HH1  ARG  16          HH12      ARG  16 195.971  -7.473   1.925
  139   1HH2  ARG  16          HH21      ARG  16 197.052  -4.648   0.175
  140   2HH2  ARG  16          HH22      ARG  16 197.504  -6.196   0.808
  141    H    ARG  17           HN       ARG  17 189.880  -5.589  -2.472
  142    HA   ARG  17           HA       ARG  17 191.142  -5.672  -5.009
  143   1HB   ARG  17          HB2       ARG  17 189.772  -7.493  -3.643
  144   2HB   ARG  17          HB1       ARG  17 188.443  -6.882  -4.618
  145   1HG   ARG  17          HG2       ARG  17 190.075  -7.258  -6.604
  146   2HG   ARG  17          HG1       ARG  17 190.909  -8.327  -5.473
  147   1HD   ARG  17          HD2       ARG  17 189.036  -9.729  -5.253
  148   2HD   ARG  17          HD1       ARG  17 187.957  -8.540  -5.980
  149    HE   ARG  17           HE       ARG  17 189.678  -9.066  -7.980
  150   1HH1  ARG  17          HH11      ARG  17 187.803 -11.138  -5.888
  151   2HH1  ARG  17          HH12      ARG  17 187.646 -12.396  -7.069
  152   1HH2  ARG  17          HH21      ARG  17 189.471 -10.720  -9.533
  153   2HH2  ARG  17          HH22      ARG  17 188.592 -12.159  -9.136
  154    H    SER  18           HN       SER  18 187.916  -4.610  -3.962
  155    HA   SER  18           HA       SER  18 186.886  -3.822  -6.385
  156   1HB   SER  18          HB2       SER  18 185.410  -3.848  -4.531
  157   2HB   SER  18          HB1       SER  18 186.447  -2.771  -3.592
  158    HG   SER  18           HG       SER  18 185.229  -1.971  -6.018
  159    H    GLU  19           HN       GLU  19 188.511  -1.745  -3.994
  160    HA   GLU  19           HA       GLU  19 188.640   0.560  -5.555
  161   1HB   GLU  19          HB2       GLU  19 189.622  -0.327  -3.033
  162   2HB   GLU  19          HB1       GLU  19 190.937   0.459  -3.894
  163   1HG   GLU  19          HG2       GLU  19 189.919   2.494  -3.878
  164   2HG   GLU  19          HG1       GLU  19 188.298   1.805  -3.824
  165    H    GLY  20           HN       GLY  20 191.022  -2.035  -5.117
  166   1HA   GLY  20          HA2       GLY  20 193.042  -0.953  -6.728
  167   2HA   GLY  20          HA1       GLY  20 192.834  -2.661  -6.375
  168    H    GLU  21           HN       GLU  21 190.730  -3.524  -7.617
  169    HA   GLU  21           HA       GLU  21 191.383  -3.808 -10.247
  170   1HB   GLU  21          HB2       GLU  21 189.853  -5.331  -9.384
  171   2HB   GLU  21          HB1       GLU  21 188.787  -4.073  -8.775
  172   1HG   GLU  21          HG2       GLU  21 187.731  -3.827 -10.742
  173   2HG   GLU  21          HG1       GLU  21 189.182  -4.152 -11.689
  174    H    LYS  22           HN       LYS  22 189.749  -1.122  -8.774
  175    HA   LYS  22           HA       LYS  22 188.860  -0.081 -11.342
  176   1HB   LYS  22          HB2       LYS  22 187.253   0.398  -9.755
  177   2HB   LYS  22          HB1       LYS  22 188.433   0.669  -8.482
  178   1HG   LYS  22          HG2       LYS  22 188.418   2.593 -10.731
  179   2HG   LYS  22          HG1       LYS  22 187.050   2.637  -9.617
  180   1HD   LYS  22          HD2       LYS  22 189.377   2.431  -8.034
  181   2HD   LYS  22          HD1       LYS  22 189.706   3.655  -9.263
  182   1HE   LYS  22          HE2       LYS  22 187.172   4.306  -8.489
  183   2HE   LYS  22          HE1       LYS  22 187.867   3.714  -6.981
  184   1HZ   LYS  22          HZ1       LYS  22 189.832   5.281  -7.844
  185   2HZ   LYS  22          HZ2       LYS  22 188.587   5.824  -6.837
  186   3HZ   LYS  22          HZ3       LYS  22 188.506   6.101  -8.503
  187    H    ILE  23           HN       ILE  23 191.096   0.763  -8.740
  188    HA   ILE  23           HA       ILE  23 192.150   3.105  -9.865
  189    HB   ILE  23           HB       ILE  23 193.229   1.095  -7.904
  190   1HG1  ILE  23          HG12      ILE  23 192.677   3.974  -7.335
  191   2HG1  ILE  23          HG11      ILE  23 191.321   2.869  -7.524
  192   1HG2  ILE  23          HG21      ILE  23 194.586   3.723  -8.304
  193   2HG2  ILE  23          HG22      ILE  23 195.049   2.338  -9.291
  194   3HG2  ILE  23          HG23      ILE  23 195.189   2.257  -7.538
  195   1HD1  ILE  23          HD11      ILE  23 191.581   2.146  -5.457
  196   2HD1  ILE  23          HD12      ILE  23 192.858   3.341  -5.236
  197   3HD1  ILE  23          HD13      ILE  23 193.261   1.711  -5.776
  198    H    ARG  24           HN       ARG  24 192.699  -0.250 -10.545
  199    HA   ARG  24           HA       ARG  24 195.159   0.150 -11.989
  200   1HB   ARG  24          HB2       ARG  24 193.281  -2.217 -11.843
  201   2HB   ARG  24          HB1       ARG  24 194.853  -2.231 -12.634
  202   1HG   ARG  24          HG2       ARG  24 194.305  -1.848  -9.701
  203   2HG   ARG  24          HG1       ARG  24 195.045  -3.249 -10.472
  204   1HD   ARG  24          HD2       ARG  24 196.169  -0.503 -10.060
  205   2HD   ARG  24          HD1       ARG  24 196.849  -2.058  -9.591
  206    HE   ARG  24           HE       ARG  24 197.248  -0.713 -12.049
  207   1HH1  ARG  24          HH11      ARG  24 196.827  -3.912 -10.717
  208   2HH1  ARG  24          HH12      ARG  24 197.691  -4.694 -11.996
  209   1HH2  ARG  24          HH21      ARG  24 198.386  -1.741 -13.730
  210   2HH2  ARG  24          HH22      ARG  24 198.577  -3.462 -13.706
  211    H    LYS  25           HN       LYS  25 191.751  -0.319 -12.738
  212    HA   LYS  25           HA       LYS  25 192.116  -0.371 -15.576
  213   1HB   LYS  25          HB2       LYS  25 189.671   0.006 -13.852
  214   2HB   LYS  25          HB1       LYS  25 189.636  -0.234 -15.597
  215   1HG   LYS  25          HG2       LYS  25 190.527  -2.437 -15.384
  216   2HG   LYS  25          HG1       LYS  25 190.846  -2.195 -13.663
  217   1HD   LYS  25          HD2       LYS  25 188.838  -3.544 -14.002
  218   2HD   LYS  25          HD1       LYS  25 188.440  -1.998 -13.249
  219   1HE   LYS  25          HE2       LYS  25 187.122  -1.416 -14.950
  220   2HE   LYS  25          HE1       LYS  25 188.361  -1.828 -16.136
  221   1HZ   LYS  25          HZ1       LYS  25 186.713  -3.309 -16.655
  222   2HZ   LYS  25          HZ2       LYS  25 186.200  -3.497 -15.054
  223   3HZ   LYS  25          HZ3       LYS  25 187.625  -4.242 -15.578
  224    H    LYS  26           HN       LYS  26 191.106   2.029 -13.198
  225    HA   LYS  26           HA       LYS  26 190.538   4.037 -15.137
  226   1HB   LYS  26          HB2       LYS  26 189.757   3.701 -12.610
  227   2HB   LYS  26          HB1       LYS  26 191.104   4.799 -12.336
  228   1HG   LYS  26          HG2       LYS  26 190.128   6.485 -13.653
  229   2HG   LYS  26          HG1       LYS  26 188.936   5.368 -14.325
  230   1HD   LYS  26          HD2       LYS  26 187.642   5.396 -12.437
  231   2HD   LYS  26          HD1       LYS  26 189.003   5.768 -11.379
  232   1HE   LYS  26          HE2       LYS  26 187.597   7.698 -11.473
  233   2HE   LYS  26          HE1       LYS  26 189.066   8.050 -12.381
  234   1HZ   LYS  26          HZ1       LYS  26 187.236   8.829 -13.644
  235   2HZ   LYS  26          HZ2       LYS  26 186.395   7.371 -13.476
  236   3HZ   LYS  26          HZ3       LYS  26 187.797   7.432 -14.419
  237    H    TYR  27           HN       TYR  27 193.240   3.171 -13.098
  238    HA   TYR  27           HA       TYR  27 194.850   5.234 -14.455
  239   1HB   TYR  27          HB2       TYR  27 195.668   4.238 -11.764
  240   2HB   TYR  27          HB1       TYR  27 195.948   5.807 -12.508
  241    HD1  TYR  27           HD1      TYR  27 193.168   6.583 -13.222
  242    HD2  TYR  27           HD2      TYR  27 194.713   4.753  -9.711
  243    HE1  TYR  27           HE1      TYR  27 191.302   7.518 -11.922
  244    HE2  TYR  27           HE2      TYR  27 192.852   5.677  -8.396
  245    HH   TYR  27           HH       TYR  27 190.966   8.136  -9.368
  246    HA   PRO  28           HA       PRO  28 196.757   1.239 -15.571
  247   1HB   PRO  28          HB2       PRO  28 197.596   2.618 -17.991
  248   2HB   PRO  28          HB1       PRO  28 196.501   1.245 -17.820
  249   1HG   PRO  28          HG2       PRO  28 195.665   3.714 -18.586
  250   2HG   PRO  28          HG1       PRO  28 194.638   2.582 -17.691
  251   1HD   PRO  28          HD2       PRO  28 196.194   4.932 -16.679
  252   2HD   PRO  28          HD1       PRO  28 194.545   4.410 -16.266
  253    H    ASP  29           HN       ASP  29 198.007   4.418 -15.177
  254    HA   ASP  29           HA       ASP  29 200.767   3.413 -15.332
  255   1HB   ASP  29          HB2       ASP  29 199.580   6.152 -15.661
  256   2HB   ASP  29          HB1       ASP  29 201.282   5.957 -15.252
  257    H    ARG  30           HN       ARG  30 198.515   3.616 -13.074
  258    HA   ARG  30           HA       ARG  30 200.392   4.541 -10.996
  259   1HB   ARG  30          HB2       ARG  30 197.396   4.796 -11.155
  260   2HB   ARG  30          HB1       ARG  30 198.267   4.961  -9.639
  261   1HG   ARG  30          HG2       ARG  30 199.529   6.625 -11.557
  262   2HG   ARG  30          HG1       ARG  30 197.790   6.911 -11.632
  263   1HD   ARG  30          HD2       ARG  30 197.794   7.180  -9.163
  264   2HD   ARG  30          HD1       ARG  30 199.552   7.068  -9.197
  265    HE   ARG  30           HE       ARG  30 197.924   9.259 -10.276
  266   1HH1  ARG  30          HH11      ARG  30 201.072   7.960  -9.481
  267   2HH1  ARG  30          HH12      ARG  30 201.871   9.486  -9.639
  268   1HH2  ARG  30          HH21      ARG  30 198.985  11.254 -10.489
  269   2HH2  ARG  30          HH22      ARG  30 200.693  11.351 -10.214
  270    H    VAL  31           HN       VAL  31 200.149   3.484  -8.894
  271    HA   VAL  31           HA       VAL  31 198.949   0.813  -9.031
  272    HB   VAL  31           HB       VAL  31 200.865  -0.224  -7.974
  273   1HG1  VAL  31          HG11      VAL  31 201.902  -0.592  -9.921
  274   2HG1  VAL  31          HG12      VAL  31 202.320   1.107 -10.133
  275   3HG1  VAL  31          HG13      VAL  31 200.717   0.530 -10.590
  276   1HG2  VAL  31          HG21      VAL  31 202.220   1.038  -6.734
  277   2HG2  VAL  31          HG22      VAL  31 201.688   2.521  -7.529
  278   3HG2  VAL  31          HG23      VAL  31 202.978   1.555  -8.240
  279    HA   PRO  32           HA       PRO  32 197.377   2.409  -5.135
  280   1HB   PRO  32          HB2       PRO  32 195.999   0.165  -4.422
  281   2HB   PRO  32          HB1       PRO  32 195.380   1.370  -5.554
  282   1HG   PRO  32          HG2       PRO  32 196.663  -1.269  -6.109
  283   2HG   PRO  32          HG1       PRO  32 195.285  -0.502  -6.915
  284   1HD   PRO  32          HD2       PRO  32 197.781  -0.512  -7.975
  285   2HD   PRO  32          HD1       PRO  32 196.633   0.815  -8.242
  286    H    VAL  33           HN       VAL  33 199.034   2.556  -3.731
  287    HA   VAL  33           HA       VAL  33 200.217   0.075  -2.718
  288    HB   VAL  33           HB       VAL  33 201.286   2.890  -2.581
  289   1HG1  VAL  33          HG11      VAL  33 202.401   2.062  -0.806
  290   2HG1  VAL  33          HG12      VAL  33 203.400   1.295  -2.040
  291   3HG1  VAL  33          HG13      VAL  33 202.103   0.387  -1.266
  292   1HG2  VAL  33          HG21      VAL  33 201.318   1.952  -4.835
  293   2HG2  VAL  33          HG22      VAL  33 202.166   0.521  -4.238
  294   3HG2  VAL  33          HG23      VAL  33 202.951   2.101  -4.186
  295    H    ILE  34           HN       ILE  34 200.452  -0.313  -0.529
  296    HA   ILE  34           HA       ILE  34 198.925   1.437   1.275
  297    HB   ILE  34           HB       ILE  34 199.070  -1.583   1.487
  298   1HG1  ILE  34          HG12      ILE  34 197.660  -0.954  -0.387
  299   2HG1  ILE  34          HG11      ILE  34 196.634  -1.464   0.953
  300   1HG2  ILE  34          HG21      ILE  34 197.036  -0.797   3.083
  301   2HG2  ILE  34          HG22      ILE  34 198.131   0.573   3.261
  302   3HG2  ILE  34          HG23      ILE  34 198.689  -1.054   3.646
  303   1HD1  ILE  34          HD11      ILE  34 196.581   0.966  -0.491
  304   2HD1  ILE  34          HD12      ILE  34 197.038   1.331   1.174
  305   3HD1  ILE  34          HD13      ILE  34 195.544   0.452   0.842
  306    H    VAL  35           HN       VAL  35 201.041   2.410   1.578
  307    HA   VAL  35           HA       VAL  35 203.237   1.042   2.668
  308    HB   VAL  35           HB       VAL  35 202.497   3.936   3.111
  309   1HG1  VAL  35          HG11      VAL  35 204.974   2.332   3.561
  310   2HG1  VAL  35          HG12      VAL  35 204.221   3.556   4.589
  311   3HG1  VAL  35          HG13      VAL  35 205.100   4.040   3.137
  312   1HG2  VAL  35          HG21      VAL  35 202.523   3.447   0.745
  313   2HG2  VAL  35          HG22      VAL  35 204.081   2.635   0.900
  314   3HG2  VAL  35          HG23      VAL  35 203.962   4.375   1.170
  315    H    GLU  36           HN       GLU  36 204.022   0.944   4.804
  316    HA   GLU  36           HA       GLU  36 202.119   1.484   6.967
  317   1HB   GLU  36          HB2       GLU  36 202.520  -1.064   5.892
  318   2HB   GLU  36          HB1       GLU  36 203.479  -1.058   7.359
  319   1HG   GLU  36          HG2       GLU  36 200.525  -0.559   7.088
  320   2HG   GLU  36          HG1       GLU  36 201.329  -1.898   7.905
  321    H    LYS  37           HN       LYS  37 203.130   1.598   9.072
  322    HA   LYS  37           HA       LYS  37 205.974   2.243   8.861
  323   1HB   LYS  37          HB2       LYS  37 204.226   3.833   9.913
  324   2HB   LYS  37          HB1       LYS  37 204.243   2.730  11.284
  325   1HG   LYS  37          HG2       LYS  37 206.933   3.320  10.670
  326   2HG   LYS  37          HG1       LYS  37 206.049   4.844  10.657
  327   1HD   LYS  37          HD2       LYS  37 206.828   4.487  12.881
  328   2HD   LYS  37          HD1       LYS  37 205.085   4.200  12.880
  329   1HE   LYS  37          HE2       LYS  37 205.322   1.932  13.147
  330   2HE   LYS  37          HE1       LYS  37 206.924   1.909  12.413
  331   1HZ   LYS  37          HZ1       LYS  37 206.227   2.088  15.146
  332   2HZ   LYS  37          HZ2       LYS  37 207.128   3.451  14.707
  333   3HZ   LYS  37          HZ3       LYS  37 207.758   1.902  14.453
  334    H    ALA  38           HN       ALA  38 206.762   0.167   8.795
  335    HA   ALA  38           HA       ALA  38 206.324  -2.105  10.042
  336   1HB   ALA  38          HB1       ALA  38 208.344  -1.451   8.662
  337   2HB   ALA  38          HB2       ALA  38 208.606  -2.642   9.937
  338   3HB   ALA  38          HB3       ALA  38 209.096  -0.959  10.187
  339    HA   PRO  39           HA       PRO  39 205.935  -1.617  14.439
  340   1HB   PRO  39          HB2       PRO  39 207.105  -4.136  15.002
  341   2HB   PRO  39          HB1       PRO  39 205.384  -3.764  14.883
  342   1HG   PRO  39          HG2       PRO  39 207.190  -5.006  12.911
  343   2HG   PRO  39          HG1       PRO  39 205.441  -5.176  13.103
  344   1HD   PRO  39          HD2       PRO  39 206.571  -3.765  11.094
  345   2HD   PRO  39          HD1       PRO  39 204.994  -3.346  11.792
  346    H    LYS  40           HN       LYS  40 207.326  -1.529  16.347
  347    HA   LYS  40           HA       LYS  40 209.227  -1.000  17.466
  348   1HB   LYS  40          HB2       LYS  40 210.344  -2.778  15.322
  349   2HB   LYS  40          HB1       LYS  40 211.402  -1.987  16.480
  350   1HG   LYS  40          HG2       LYS  40 211.072  -3.951  17.564
  351   2HG   LYS  40          HG1       LYS  40 209.706  -3.043  18.211
  352   1HD   LYS  40          HD2       LYS  40 208.838  -4.194  15.788
  353   2HD   LYS  40          HD1       LYS  40 209.707  -5.458  16.658
  354   1HE   LYS  40          HE2       LYS  40 207.391  -5.542  17.285
  355   2HE   LYS  40          HE1       LYS  40 208.327  -4.955  18.658
  356   1HZ   LYS  40          HZ1       LYS  40 206.658  -3.344  16.809
  357   2HZ   LYS  40          HZ2       LYS  40 207.696  -2.670  17.962
  358   3HZ   LYS  40          HZ3       LYS  40 206.387  -3.620  18.457
  359    H    ALA  41           HN       ALA  41 209.330  -0.351  13.981
  360    HA   ALA  41           HA       ALA  41 211.427   1.230  13.549
  361   1HB   ALA  41          HB1       ALA  41 209.440   0.805  12.003
  362   2HB   ALA  41          HB2       ALA  41 210.240   2.375  11.880
  363   3HB   ALA  41          HB3       ALA  41 208.712   2.234  12.746
  364    H    ARG  42           HN       ARG  42 212.285   3.067  14.258
  365    HA   ARG  42           HA       ARG  42 210.979   4.452  16.451
  366   1HB   ARG  42          HB2       ARG  42 213.734   5.047  15.390
  367   2HB   ARG  42          HB1       ARG  42 213.099   5.348  17.001
  368   1HG   ARG  42          HG2       ARG  42 213.406   3.190  17.681
  369   2HG   ARG  42          HG1       ARG  42 213.247   2.536  16.050
  370   1HD   ARG  42          HD2       ARG  42 215.447   3.564  15.498
  371   2HD   ARG  42          HD1       ARG  42 215.606   4.028  17.190
  372    HE   ARG  42           HE       ARG  42 215.167   1.370  17.336
  373   1HH1  ARG  42          HH11      ARG  42 217.422   3.301  15.499
  374   2HH1  ARG  42          HH12      ARG  42 218.641   2.072  15.468
  375   1HH2  ARG  42          HH21      ARG  42 216.769  -0.248  17.294
  376   2HH2  ARG  42          HH22      ARG  42 218.271   0.057  16.485
  377    H    ILE  43           HN       ILE  43 209.891   4.764  13.923
  378    HA   ILE  43           HA       ILE  43 210.406   7.609  13.352
  379    HB   ILE  43           HB       ILE  43 209.272   6.930  11.100
  380   1HG1  ILE  43          HG12      ILE  43 210.464   4.306  12.002
  381   2HG1  ILE  43          HG11      ILE  43 208.743   4.633  11.823
  382   1HG2  ILE  43          HG21      ILE  43 211.572   6.251  10.229
  383   2HG2  ILE  43          HG22      ILE  43 212.116   6.429  11.899
  384   3HG2  ILE  43          HG23      ILE  43 211.436   7.812  11.040
  385   1HD1  ILE  43          HD11      ILE  43 210.754   3.984   9.819
  386   2HD1  ILE  43          HD12      ILE  43 209.689   5.321   9.377
  387   3HD1  ILE  43          HD13      ILE  43 209.006   3.747   9.806
  388    H    GLY  44           HN       GLY  44 208.477   8.709  12.378
  389   1HA   GLY  44          HA2       GLY  44 206.284   8.542  14.154
  390   2HA   GLY  44          HA1       GLY  44 206.342   9.500  12.682
  391    H    ASP  45           HN       ASP  45 204.257   7.695  13.964
  392    HA   ASP  45           HA       ASP  45 203.923   5.558  12.050
  393   1HB   ASP  45          HB2       ASP  45 201.971   6.574  14.126
  394   2HB   ASP  45          HB1       ASP  45 201.888   5.038  13.268
  395    H    LEU  46           HN       LEU  46 202.795   5.610  10.224
  396    HA   LEU  46           HA       LEU  46 201.636   8.117   9.372
  397   1HB   LEU  46          HB2       LEU  46 202.798   5.810   8.126
  398   2HB   LEU  46          HB1       LEU  46 201.221   6.118   7.423
  399    HG   LEU  46           HG       LEU  46 202.928   8.495   7.706
  400   1HD1  LEU  46          HD11      LEU  46 204.147   7.827   5.565
  401   2HD1  LEU  46          HD12      LEU  46 203.717   6.169   5.983
  402   3HD1  LEU  46          HD13      LEU  46 204.717   7.124   7.078
  403   1HD2  LEU  46          HD21      LEU  46 200.778   8.577   6.594
  404   2HD2  LEU  46          HD22      LEU  46 201.288   7.319   5.467
  405   3HD2  LEU  46          HD23      LEU  46 202.069   8.900   5.437
  406    H    ASP  47           HN       ASP  47 199.519   8.447   8.730
  407    HA   ASP  47           HA       ASP  47 197.590   6.396   9.603
  408   1HB   ASP  47          HB2       ASP  47 196.049   8.233  10.173
  409   2HB   ASP  47          HB1       ASP  47 197.545   8.334  11.096
  410    H    LYS  48           HN       LYS  48 198.865   7.072   6.935
  411    HA   LYS  48           HA       LYS  48 196.430   7.675   5.400
  412   1HB   LYS  48          HB2       LYS  48 198.273   9.187   4.932
  413   2HB   LYS  48          HB1       LYS  48 199.352   7.835   4.634
  414   1HG   LYS  48          HG2       LYS  48 197.700   7.218   2.753
  415   2HG   LYS  48          HG1       LYS  48 197.126   8.877   2.935
  416   1HD   LYS  48          HD2       LYS  48 199.938   9.027   2.868
  417   2HD   LYS  48          HD1       LYS  48 199.472   7.898   1.591
  418   1HE   LYS  48          HE2       LYS  48 199.531  10.103   0.660
  419   2HE   LYS  48          HE1       LYS  48 197.847   9.593   0.770
  420   1HZ   LYS  48          HZ1       LYS  48 198.134  10.825   3.104
  421   2HZ   LYS  48          HZ2       LYS  48 197.619  11.614   1.700
  422   3HZ   LYS  48          HZ3       LYS  48 199.237  11.717   2.181
  423    H    LYS  49           HN       LYS  49 199.332   5.627   5.258
  424    HA   LYS  49           HA       LYS  49 199.680   3.499   4.592
  425   1HB   LYS  49          HB2       LYS  49 196.776   3.437   5.251
  426   2HB   LYS  49          HB1       LYS  49 197.441   2.079   4.348
  427   1HG   LYS  49          HG2       LYS  49 199.101   2.803   6.609
  428   2HG   LYS  49          HG1       LYS  49 197.452   2.399   7.087
  429   1HD   LYS  49          HD2       LYS  49 197.957   0.425   5.308
  430   2HD   LYS  49          HD1       LYS  49 199.572   0.694   5.962
  431   1HE   LYS  49          HE2       LYS  49 197.073  -0.104   7.412
  432   2HE   LYS  49          HE1       LYS  49 198.613  -0.955   7.331
  433   1HZ   LYS  49          HZ1       LYS  49 199.361   1.360   8.422
  434   2HZ   LYS  49          HZ2       LYS  49 198.924  -0.003   9.323
  435   3HZ   LYS  49          HZ3       LYS  49 197.796   1.228   9.052
  436    H    LYS  50           HN       LYS  50 196.653   4.499   2.958
  437    HA   LYS  50           HA       LYS  50 197.332   3.180   0.547
  438   1HB   LYS  50          HB2       LYS  50 195.018   4.034   1.472
  439   2HB   LYS  50          HB1       LYS  50 195.434   5.489   0.577
  440   1HG   LYS  50          HG2       LYS  50 195.541   4.277  -1.480
  441   2HG   LYS  50          HG1       LYS  50 195.361   2.737  -0.637
  442   1HD   LYS  50          HD2       LYS  50 193.267   4.869  -0.405
  443   2HD   LYS  50          HD1       LYS  50 193.295   3.779  -1.792
  444   1HE   LYS  50          HE2       LYS  50 192.461   2.086  -0.602
  445   2HE   LYS  50          HE1       LYS  50 193.583   2.366   0.730
  446   1HZ   LYS  50          HZ1       LYS  50 191.423   4.291   0.454
  447   2HZ   LYS  50          HZ2       LYS  50 192.086   3.599   1.848
  448   3HZ   LYS  50          HZ3       LYS  50 190.963   2.732   0.927
  449    H    TYR  51           HN       TYR  51 198.200   3.896  -1.330
  450    HA   TYR  51           HA       TYR  51 198.935   6.689  -1.651
  451   1HB   TYR  51          HB2       TYR  51 200.945   4.459  -1.393
  452   2HB   TYR  51          HB1       TYR  51 201.315   5.947  -2.256
  453    HD1  TYR  51           HD1      TYR  51 201.563   8.053  -1.053
  454    HD2  TYR  51           HD2      TYR  51 200.722   4.432   1.003
  455    HE1  TYR  51           HE1      TYR  51 202.200   9.119   1.067
  456    HE2  TYR  51           HE2      TYR  51 201.350   5.485   3.135
  457    HH   TYR  51           HH       TYR  51 203.120   7.879   3.545
  458    H    LEU  52           HN       LEU  52 198.472   7.228  -3.680
  459    HA   LEU  52           HA       LEU  52 198.298   5.100  -5.685
  460   1HB   LEU  52          HB2       LEU  52 196.554   7.098  -5.129
  461   2HB   LEU  52          HB1       LEU  52 197.493   7.856  -6.400
  462    HG   LEU  52           HG       LEU  52 196.933   6.083  -7.950
  463   1HD1  LEU  52          HD11      LEU  52 196.378   4.625  -5.563
  464   2HD1  LEU  52          HD12      LEU  52 196.458   4.045  -7.226
  465   3HD1  LEU  52          HD13      LEU  52 194.932   4.641  -6.573
  466   1HD2  LEU  52          HD21      LEU  52 195.206   7.981  -7.031
  467   2HD2  LEU  52          HD22      LEU  52 194.247   6.511  -6.865
  468   3HD2  LEU  52          HD23      LEU  52 194.924   6.950  -8.432
  469    H    VAL  53           HN       VAL  53 200.662   5.026  -5.650
  470    HA   VAL  53           HA       VAL  53 202.021   7.241  -6.970
  471    HB   VAL  53           HB       VAL  53 203.996   5.479  -6.751
  472   1HG1  VAL  53          HG11      VAL  53 203.430   7.777  -5.567
  473   2HG1  VAL  53          HG12      VAL  53 204.753   6.751  -5.014
  474   3HG1  VAL  53          HG13      VAL  53 203.205   6.721  -4.171
  475   1HG2  VAL  53          HG21      VAL  53 202.371   4.704  -4.354
  476   2HG2  VAL  53          HG22      VAL  53 203.827   3.949  -5.001
  477   3HG2  VAL  53          HG23      VAL  53 202.292   3.780  -5.853
  478    HA   PRO  54           HA       PRO  54 201.983   5.688 -11.083
  479   1HB   PRO  54          HB2       PRO  54 204.923   6.123 -11.123
  480   2HB   PRO  54          HB1       PRO  54 203.678   6.750 -12.209
  481   1HG   PRO  54          HG2       PRO  54 204.833   8.324 -10.390
  482   2HG   PRO  54          HG1       PRO  54 203.107   8.474 -10.773
  483   1HD   PRO  54          HD2       PRO  54 204.424   7.223  -8.402
  484   2HD   PRO  54          HD1       PRO  54 202.914   8.153  -8.496
  485    H    SER  55           HN       SER  55 203.652   4.273 -12.519
  486    HA   SER  55           HA       SER  55 204.166   1.860 -10.913
  487   1HB   SER  55          HB2       SER  55 202.743   2.239 -13.371
  488   2HB   SER  55          HB1       SER  55 204.133   1.196 -13.668
  489    HG   SER  55           HG       SER  55 202.587  -0.171 -12.989
  490    H    ASP  56           HN       ASP  56 205.648   4.326 -12.696
  491    HA   ASP  56           HA       ASP  56 208.041   2.717 -13.216
  492   1HB   ASP  56          HB2       ASP  56 207.484   5.568 -14.062
  493   2HB   ASP  56          HB1       ASP  56 208.788   4.529 -14.628
  494    H    LEU  57           HN       LEU  57 206.681   4.759 -10.938
  495    HA   LEU  57           HA       LEU  57 208.759   6.357 -10.058
  496   1HB   LEU  57          HB2       LEU  57 206.447   6.491  -9.233
  497   2HB   LEU  57          HB1       LEU  57 206.668   4.967  -8.391
  498    HG   LEU  57           HG       LEU  57 208.713   6.342  -7.334
  499   1HD1  LEU  57          HD11      LEU  57 208.130   8.620  -6.929
  500   2HD1  LEU  57          HD12      LEU  57 206.589   8.427  -7.766
  501   3HD1  LEU  57          HD13      LEU  57 208.101   8.343  -8.670
  502   1HD2  LEU  57          HD21      LEU  57 206.957   7.014  -5.528
  503   2HD2  LEU  57          HD22      LEU  57 207.289   5.312  -5.848
  504   3HD2  LEU  57          HD23      LEU  57 205.853   6.074  -6.531
  505    H    THR  58           HN       THR  58 210.760   5.775  -9.482
  506    HA   THR  58           HA       THR  58 211.391   3.086  -8.744
  507    HB   THR  58           HB       THR  58 213.680   3.965  -8.372
  508    HG1  THR  58           HG1      THR  58 213.215   6.030  -7.669
  509   1HG2  THR  58          HG21      THR  58 213.551   5.229 -10.824
  510   2HG2  THR  58          HG22      THR  58 212.214   4.077 -10.849
  511   3HG2  THR  58          HG23      THR  58 213.855   3.518 -10.526
  512    H    VAL  59           HN       VAL  59 212.293   2.365  -6.812
  513    HA   VAL  59           HA       VAL  59 210.883   2.971  -4.518
  514    HB   VAL  59           HB       VAL  59 213.478   1.576  -5.015
  515   1HG1  VAL  59          HG11      VAL  59 213.512   0.905  -2.605
  516   2HG1  VAL  59          HG12      VAL  59 212.301   2.151  -2.296
  517   3HG1  VAL  59          HG13      VAL  59 213.901   2.602  -2.887
  518   1HG2  VAL  59          HG21      VAL  59 210.938   0.754  -5.248
  519   2HG2  VAL  59          HG22      VAL  59 211.239   0.318  -3.566
  520   3HG2  VAL  59          HG23      VAL  59 212.274  -0.324  -4.841
  521    H    GLY  60           HN       GLY  60 213.856   4.370  -5.753
  522   1HA   GLY  60          HA2       GLY  60 214.663   5.759  -3.437
  523   2HA   GLY  60          HA1       GLY  60 215.067   6.208  -5.090
  524    H    GLN  61           HN       GLN  61 212.328   6.480  -5.942
  525    HA   GLN  61           HA       GLN  61 211.864   9.185  -5.098
  526   1HB   GLN  61          HB2       GLN  61 210.302   7.366  -6.926
  527   2HB   GLN  61          HB1       GLN  61 209.965   9.076  -6.680
  528   1HG   GLN  61          HG2       GLN  61 212.232   9.597  -7.466
  529   2HG   GLN  61          HG1       GLN  61 212.473   7.888  -7.814
  530   1HE2  GLN  61          HE21      GLN  61 209.902   7.323  -8.802
  531   2HE2  GLN  61          HE22      GLN  61 209.723   8.100 -10.336
  532    H    PHE  62           HN       PHE  62 210.094   6.111  -4.882
  533    HA   PHE  62           HA       PHE  62 207.844   6.933  -3.511
  534   1HB   PHE  62          HB2       PHE  62 208.446   4.595  -4.393
  535   2HB   PHE  62          HB1       PHE  62 209.257   4.356  -2.849
  536    HD1  PHE  62           HD1      PHE  62 206.078   6.129  -3.569
  537    HD2  PHE  62           HD2      PHE  62 207.959   2.772  -1.758
  538    HE1  PHE  62           HE1      PHE  62 203.934   5.481  -2.557
  539    HE2  PHE  62           HE2      PHE  62 205.816   2.118  -0.740
  540    HZ   PHE  62           HZ       PHE  62 203.801   3.475  -1.143
  541    H    TYR  63           HN       TYR  63 211.026   6.092  -2.226
  542    HA   TYR  63           HA       TYR  63 210.509   6.193   0.499
  543   1HB   TYR  63          HB2       TYR  63 212.890   6.667  -1.218
  544   2HB   TYR  63          HB1       TYR  63 212.978   7.255   0.437
  545    HD1  TYR  63           HD1      TYR  63 212.072   5.404   2.206
  546    HD2  TYR  63           HD2      TYR  63 213.771   4.623  -1.607
  547    HE1  TYR  63           HE1      TYR  63 212.711   3.156   2.963
  548    HE2  TYR  63           HE2      TYR  63 214.414   2.365  -0.868
  549    HH   TYR  63           HH       TYR  63 213.789   0.729   0.812
  550    H    PHE  64           HN       PHE  64 212.040   8.757  -1.352
  551    HA   PHE  64           HA       PHE  64 211.971  10.845   0.344
  552   1HB   PHE  64          HB2       PHE  64 212.998  11.254  -1.702
  553   2HB   PHE  64          HB1       PHE  64 211.615  10.682  -2.624
  554    HD1  PHE  64           HD1      PHE  64 210.054  12.174  -3.475
  555    HD2  PHE  64           HD2      PHE  64 212.784  13.474  -0.479
  556    HE1  PHE  64           HE1      PHE  64 209.314  14.499  -3.812
  557    HE2  PHE  64           HE2      PHE  64 212.048  15.799  -0.809
  558    HZ   PHE  64           HZ       PHE  64 210.311  16.313  -2.477
  559    H    LEU  65           HN       LEU  65 209.174   9.682  -1.506
  560    HA   LEU  65           HA       LEU  65 207.498  11.850  -0.753
  561   1HB   LEU  65          HB2       LEU  65 206.128  10.984  -2.266
  562   2HB   LEU  65          HB1       LEU  65 207.379   9.798  -2.586
  563    HG   LEU  65           HG       LEU  65 206.304   8.422  -0.741
  564   1HD1  LEU  65          HD11      LEU  65 203.741   9.746  -1.365
  565   2HD1  LEU  65          HD12      LEU  65 204.826  10.631  -0.290
  566   3HD1  LEU  65          HD13      LEU  65 204.296   9.002   0.134
  567   1HD2  LEU  65          HD21      LEU  65 204.881   7.347  -2.293
  568   2HD2  LEU  65          HD22      LEU  65 206.184   8.060  -3.246
  569   3HD2  LEU  65          HD23      LEU  65 204.605   8.842  -3.186
  570    H    ILE  66           HN       ILE  66 208.087   8.625   0.533
  571    HA   ILE  66           HA       ILE  66 206.067   8.822   2.558
  572    HB   ILE  66           HB       ILE  66 208.381   6.914   2.224
  573   1HG1  ILE  66          HG12      ILE  66 206.739   6.689   0.462
  574   2HG1  ILE  66          HG11      ILE  66 206.594   5.320   1.560
  575   1HG2  ILE  66          HG21      ILE  66 206.654   5.591   3.819
  576   2HG2  ILE  66          HG22      ILE  66 206.421   7.241   4.398
  577   3HG2  ILE  66          HG23      ILE  66 208.031   6.519   4.416
  578   1HD1  ILE  66          HD11      ILE  66 204.613   6.185   2.514
  579   2HD1  ILE  66          HD12      ILE  66 204.440   6.323   0.765
  580   3HD1  ILE  66          HD13      ILE  66 204.832   7.747   1.727
  581    H    ARG  67           HN       ARG  67 209.523   9.401   2.338
  582    HA   ARG  67           HA       ARG  67 210.281   9.549   4.966
  583   1HB   ARG  67          HB2       ARG  67 211.243  10.591   2.438
  584   2HB   ARG  67          HB1       ARG  67 211.577  11.711   3.750
  585   1HG   ARG  67          HG2       ARG  67 213.266  10.463   4.452
  586   2HG   ARG  67          HG1       ARG  67 212.226   9.043   4.575
  587   1HD   ARG  67          HD2       ARG  67 212.570   8.588   2.207
  588   2HD   ARG  67          HD1       ARG  67 213.581  10.028   2.074
  589    HE   ARG  67           HE       ARG  67 214.506   8.175   4.057
  590   1HH1  ARG  67          HH11      ARG  67 214.557   8.956   0.656
  591   2HH1  ARG  67          HH12      ARG  67 216.058   8.142   0.364
  592   1HH2  ARG  67          HH21      ARG  67 216.480   7.105   3.675
  593   2HH2  ARG  67          HH22      ARG  67 217.150   7.091   2.077
  594    H    LYS  68           HN       LYS  68 208.862  12.217   3.051
  595    HA   LYS  68           HA       LYS  68 208.859  14.097   5.150
  596   1HB   LYS  68          HB2       LYS  68 206.957  13.926   2.812
  597   2HB   LYS  68          HB1       LYS  68 207.263  15.345   3.805
  598   1HG   LYS  68          HG2       LYS  68 209.388  15.664   2.913
  599   2HG   LYS  68          HG1       LYS  68 209.473  14.013   2.290
  600   1HD   LYS  68          HD2       LYS  68 207.220  15.504   1.216
  601   2HD   LYS  68          HD1       LYS  68 208.773  16.262   0.850
  602   1HE   LYS  68          HE2       LYS  68 209.586  14.235  -0.154
  603   2HE   LYS  68          HE1       LYS  68 208.151  13.359   0.374
  604   1HZ   LYS  68          HZ1       LYS  68 206.824  14.856  -1.055
  605   2HZ   LYS  68          HZ2       LYS  68 207.912  13.897  -1.924
  606   3HZ   LYS  68          HZ3       LYS  68 208.260  15.529  -1.646
  607    H    ARG  69           HN       ARG  69 206.400  11.804   4.028
  608    HA   ARG  69           HA       ARG  69 204.290  12.517   5.664
  609   1HB   ARG  69          HB2       ARG  69 205.082   9.685   4.971
  610   2HB   ARG  69          HB1       ARG  69 203.477  10.246   5.419
  611   1HG   ARG  69          HG2       ARG  69 204.584  11.674   3.140
  612   2HG   ARG  69          HG1       ARG  69 204.421   9.939   2.864
  613   1HD   ARG  69          HD2       ARG  69 202.183  10.022   2.847
  614   2HD   ARG  69          HD1       ARG  69 202.114  11.193   4.165
  615    HE   ARG  69           HE       ARG  69 202.095  11.745   1.339
  616   1HH1  ARG  69          HH11      ARG  69 202.772  13.039   4.509
  617   2HH1  ARG  69          HH12      ARG  69 202.565  14.686   4.017
  618   1HH2  ARG  69          HH21      ARG  69 201.822  13.909   0.692
  619   2HH2  ARG  69          HH22      ARG  69 202.025  15.181   1.851
  620    H    ILE  70           HN       ILE  70 207.297  11.069   6.516
  621    HA   ILE  70           HA       ILE  70 206.340  10.535   9.248
  622    HB   ILE  70           HB       ILE  70 208.900   9.432   9.055
  623   1HG1  ILE  70          HG12      ILE  70 207.364   8.316   6.742
  624   2HG1  ILE  70          HG11      ILE  70 208.383   9.728   6.500
  625   1HG2  ILE  70          HG21      ILE  70 206.460   8.695   9.954
  626   2HG2  ILE  70          HG22      ILE  70 207.859   7.627   9.875
  627   3HG2  ILE  70          HG23      ILE  70 206.659   7.603   8.584
  628   1HD1  ILE  70          HD11      ILE  70 210.269   8.555   6.629
  629   2HD1  ILE  70          HD12      ILE  70 209.222   7.188   6.249
  630   3HD1  ILE  70          HD13      ILE  70 209.666   7.521   7.924
  631    H    HIS  71           HN       HIS  71 207.868  12.837   7.520
  632    HA   HIS  71           HA       HIS  71 208.976  14.711   8.108
  633   1HB   HIS  71          HB2       HIS  71 209.222  13.609  10.912
  634   2HB   HIS  71          HB1       HIS  71 209.376  15.288  10.405
  635    HD1  HIS  71           HD1      HIS  71 207.456  15.274  12.465
  636    HD2  HIS  71           HD2      HIS  71 206.334  14.009   8.669
  637    HE1  HIS  71           HE1      HIS  71 204.949  15.462  12.407
  638    HE2  HIS  71           HE2      HIS  71 204.287  14.625  10.124
  639    H    LEU  72           HN       LEU  72 210.273  12.948   6.786
  640    HA   LEU  72           HA       LEU  72 212.952  12.814   8.004
  641   1HB   LEU  72          HB2       LEU  72 211.767  10.981   5.936
  642   2HB   LEU  72          HB1       LEU  72 213.378  10.852   6.620
  643    HG   LEU  72           HG       LEU  72 210.738  10.137   7.817
  644   1HD1  LEU  72          HD11      LEU  72 213.264   8.721   8.411
  645   2HD1  LEU  72          HD12      LEU  72 212.675   8.651   6.750
  646   3HD1  LEU  72          HD13      LEU  72 211.653   8.083   8.072
  647   1HD2  LEU  72          HD21      LEU  72 211.259  11.331   9.662
  648   2HD2  LEU  72          HD22      LEU  72 212.974  11.409   9.263
  649   3HD2  LEU  72          HD23      LEU  72 212.305   9.950   9.990
  650    H    ARG  73           HN       ARG  73 214.308  14.212   7.106
  651    HA   ARG  73           HA       ARG  73 213.680  15.406   4.545
  652   1HB   ARG  73          HB2       ARG  73 215.820  16.742   5.081
  653   2HB   ARG  73          HB1       ARG  73 214.387  17.015   6.061
  654   1HG   ARG  73          HG2       ARG  73 216.530  16.866   7.327
  655   2HG   ARG  73          HG1       ARG  73 215.278  15.750   7.861
  656   1HD   ARG  73          HD2       ARG  73 216.344  13.933   6.713
  657   2HD   ARG  73          HD1       ARG  73 217.519  15.033   5.993
  658    HE   ARG  73           HE       ARG  73 218.731  14.926   7.924
  659   1HH1  ARG  73          HH11      ARG  73 215.477  13.874   8.614
  660   2HH1  ARG  73          HH12      ARG  73 215.844  13.391  10.235
  661   1HH2  ARG  73          HH21      ARG  73 219.214  14.293  10.055
  662   2HH2  ARG  73          HH22      ARG  73 217.964  13.631  11.054
  663    H    ALA  74           HN       ALA  74 214.307  12.735   4.177
  664    HA   ALA  74           HA       ALA  74 215.475  11.500   2.652
  665   1HB   ALA  74          HB1       ALA  74 215.905  13.983   1.728
  666   2HB   ALA  74          HB2       ALA  74 216.611  12.537   1.005
  667   3HB   ALA  74          HB3       ALA  74 217.560  13.515   2.126
  668    H    GLU  75           HN       GLU  75 217.599  13.487   4.751
  669    HA   GLU  75           HA       GLU  75 219.667  11.528   4.761
  670   1HB   GLU  75          HB2       GLU  75 219.129  14.036   6.258
  671   2HB   GLU  75          HB1       GLU  75 220.326  12.921   6.894
  672   1HG   GLU  75          HG2       GLU  75 220.884  13.176   4.167
  673   2HG   GLU  75          HG1       GLU  75 220.540  14.805   4.749
  674    H    ASP  76           HN       ASP  76 216.787  12.018   6.613
  675    HA   ASP  76           HA       ASP  76 217.462  10.520   8.903
  676   1HB   ASP  76          HB2       ASP  76 215.277  11.968   8.129
  677   2HB   ASP  76          HB1       ASP  76 214.664  10.320   8.040
  678    H    ALA  77           HN       ALA  77 216.749   8.384   9.471
  679    HA   ALA  77           HA       ALA  77 217.319   6.506   7.391
  680   1HB   ALA  77          HB1       ALA  77 216.977   4.806   9.170
  681   2HB   ALA  77          HB2       ALA  77 216.568   6.117  10.278
  682   3HB   ALA  77          HB3       ALA  77 218.179   6.035   9.565
  683    H    LEU  78           HN       LEU  78 216.011   5.140   6.381
  684    HA   LEU  78           HA       LEU  78 213.342   4.557   7.121
  685   1HB   LEU  78          HB2       LEU  78 212.943   6.828   6.375
  686   2HB   LEU  78          HB1       LEU  78 213.755   6.502   4.857
  687    HG   LEU  78           HG       LEU  78 211.957   4.795   4.379
  688   1HD1  LEU  78          HD11      LEU  78 210.914   5.967   6.922
  689   2HD1  LEU  78          HD12      LEU  78 210.990   4.280   6.413
  690   3HD1  LEU  78          HD13      LEU  78 209.802   5.365   5.692
  691   1HD2  LEU  78          HD21      LEU  78 210.444   6.401   3.525
  692   2HD2  LEU  78          HD22      LEU  78 212.039   7.154   3.487
  693   3HD2  LEU  78          HD23      LEU  78 210.890   7.583   4.756
  694    H    PHE  79           HN       PHE  79 213.160   2.529   6.459
  695    HA   PHE  79           HA       PHE  79 214.153   1.829   3.778
  696   1HB   PHE  79          HB2       PHE  79 214.275   0.011   6.194
  697   2HB   PHE  79          HB1       PHE  79 214.900  -0.329   4.585
  698    HD1  PHE  79           HD1      PHE  79 215.337   1.876   7.529
  699    HD2  PHE  79           HD2      PHE  79 217.076   0.267   3.995
  700    HE1  PHE  79           HE1      PHE  79 217.523   2.786   8.196
  701    HE2  PHE  79           HE2      PHE  79 219.266   1.175   4.655
  702    HZ   PHE  79           HZ       PHE  79 219.491   2.436   6.759
  703    H    PHE  80           HN       PHE  80 212.685   0.862   2.512
  704    HA   PHE  80           HA       PHE  80 210.055   0.370   3.576
  705   1HB   PHE  80          HB2       PHE  80 211.222   0.230   0.801
  706   2HB   PHE  80          HB1       PHE  80 209.577  -0.290   1.147
  707    HD1  PHE  80           HD1      PHE  80 209.066   1.899   3.277
  708    HD2  PHE  80           HD2      PHE  80 210.628   1.990  -0.681
  709    HE1  PHE  80           HE1      PHE  80 208.292   4.218   3.031
  710    HE2  PHE  80           HE2      PHE  80 209.854   4.310  -0.934
  711    HZ   PHE  80           HZ       PHE  80 208.685   5.426   0.923
  712    H    PHE  81           HN       PHE  81 208.997  -1.581   3.725
  713    HA   PHE  81           HA       PHE  81 210.587  -3.985   3.178
  714   1HB   PHE  81          HB2       PHE  81 209.040  -3.413   5.711
  715   2HB   PHE  81          HB1       PHE  81 209.754  -4.972   5.303
  716    HD1  PHE  81           HD1      PHE  81 210.408  -1.553   6.381
  717    HD2  PHE  81           HD2      PHE  81 212.158  -5.288   5.330
  718    HE1  PHE  81           HE1      PHE  81 212.550  -0.823   7.357
  719    HE2  PHE  81           HE2      PHE  81 214.298  -4.568   6.312
  720    HZ   PHE  81           HZ       PHE  81 214.501  -2.332   7.318
  721    H    VAL  82           HN       VAL  82 209.433  -4.587   1.405
  722    HA   VAL  82           HA       VAL  82 206.534  -4.882   1.640
  723    HB   VAL  82           HB       VAL  82 208.028  -5.561  -0.836
  724   1HG1  VAL  82          HG11      VAL  82 205.275  -4.689  -0.117
  725   2HG1  VAL  82          HG12      VAL  82 205.794  -6.069  -1.082
  726   3HG1  VAL  82          HG13      VAL  82 205.874  -4.440  -1.757
  727   1HG2  VAL  82          HG21      VAL  82 207.983  -2.941   0.391
  728   2HG2  VAL  82          HG22      VAL  82 207.239  -2.935  -1.207
  729   3HG2  VAL  82          HG23      VAL  82 208.893  -3.513  -1.006
  730    H    ASN  83           HN       ASN  83 205.803  -6.764   2.384
  731    HA   ASN  83           HA       ASN  83 205.592  -9.001   2.774
  732   1HB   ASN  83          HB2       ASN  83 207.519  -9.430   0.481
  733   2HB   ASN  83          HB1       ASN  83 206.325 -10.565   1.104
  734   1HD2  ASN  83          HD21      ASN  83 206.074 -10.372  -1.405
  735   2HD2  ASN  83          HD22      ASN  83 204.817  -9.303  -1.914
  736    H    ASN  84           HN       ASN  84 207.622  -7.355   3.997
  737    HA   ASN  84           HA       ASN  84 209.218  -7.595   5.587
  738   1HB   ASN  84          HB2       ASN  84 209.173 -10.542   4.885
  739   2HB   ASN  84          HB1       ASN  84 209.985  -9.829   6.273
  740   1HD2  ASN  84          HD21      ASN  84 207.193 -11.266   5.177
  741   2HD2  ASN  84          HD22      ASN  84 206.147 -10.851   6.487
  742    H    VAL  85           HN       VAL  85 209.732  -7.213   2.647
  743    HA   VAL  85           HA       VAL  85 212.604  -7.856   2.728
  744    HB   VAL  85           HB       VAL  85 211.015  -7.864   0.184
  745   1HG1  VAL  85          HG11      VAL  85 213.181  -7.672  -0.480
  746   2HG1  VAL  85          HG12      VAL  85 213.096  -9.427  -0.323
  747   3HG1  VAL  85          HG13      VAL  85 213.809  -8.460   0.967
  748   1HG2  VAL  85          HG21      VAL  85 211.812 -10.317   1.737
  749   2HG2  VAL  85          HG22      VAL  85 210.855 -10.244   0.257
  750   3HG2  VAL  85          HG23      VAL  85 210.192  -9.620   1.767
  751    H    ILE  86           HN       ILE  86 213.974  -6.368   1.724
  752    HA   ILE  86           HA       ILE  86 212.867  -3.685   1.516
  753    HB   ILE  86           HB       ILE  86 215.739  -4.598   1.507
  754   1HG1  ILE  86          HG12      ILE  86 213.808  -3.831   3.647
  755   2HG1  ILE  86          HG11      ILE  86 215.072  -5.055   3.666
  756   1HG2  ILE  86          HG21      ILE  86 216.289  -2.248   1.857
  757   2HG2  ILE  86          HG22      ILE  86 214.579  -1.824   1.770
  758   3HG2  ILE  86          HG23      ILE  86 215.403  -2.462   0.347
  759   1HD1  ILE  86          HD11      ILE  86 215.504  -2.088   3.847
  760   2HD1  ILE  86          HD12      ILE  86 216.756  -3.328   3.908
  761   3HD1  ILE  86          HD13      ILE  86 215.553  -3.226   5.191
  762    HA   PRO  87           HA       PRO  87 212.944  -4.248  -2.959
  763   1HB   PRO  87          HB2       PRO  87 211.779  -1.874  -3.570
  764   2HB   PRO  87          HB1       PRO  87 210.859  -3.276  -3.013
  765   1HG   PRO  87          HG2       PRO  87 211.794  -0.887  -1.469
  766   2HG   PRO  87          HG1       PRO  87 210.225  -1.711  -1.416
  767   1HD   PRO  87          HD2       PRO  87 212.149  -2.114   0.447
  768   2HD   PRO  87          HD1       PRO  87 211.007  -3.385  -0.039
  769    HA   PRO  88           HA       PRO  88 216.601  -1.973  -3.995
  770   1HB   PRO  88          HB2       PRO  88 215.890  -2.181  -6.819
  771   2HB   PRO  88          HB1       PRO  88 217.191  -2.982  -5.937
  772   1HG   PRO  88          HG2       PRO  88 215.040  -4.322  -6.881
  773   2HG   PRO  88          HG1       PRO  88 215.886  -4.797  -5.397
  774   1HD   PRO  88          HD2       PRO  88 213.338  -3.253  -5.712
  775   2HD   PRO  88          HD1       PRO  88 213.733  -4.559  -4.573
  776    H    THR  89           HN       THR  89 217.030   0.148  -4.077
  777    HA   THR  89           HA       THR  89 215.104   2.117  -4.402
  778    HB   THR  89           HB       THR  89 217.126   3.653  -4.787
  779    HG1  THR  89           HG1      THR  89 218.425   1.807  -5.555
  780   1HG2  THR  89          HG21      THR  89 216.133   3.271  -2.563
  781   2HG2  THR  89          HG22      THR  89 217.878   3.530  -2.514
  782   3HG2  THR  89          HG23      THR  89 217.222   1.902  -2.344
  783    H    SER  90           HN       SER  90 216.915   0.405  -6.794
  784    HA   SER  90           HA       SER  90 216.437   2.333  -8.891
  785   1HB   SER  90          HB2       SER  90 217.561   0.753 -10.348
  786   2HB   SER  90          HB1       SER  90 218.476   0.896  -8.848
  787    HG   SER  90           HG       SER  90 216.723  -1.194  -9.620
  788    H    ALA  91           HN       ALA  91 214.961  -0.588  -7.673
  789    HA   ALA  91           HA       ALA  91 213.386  -1.270  -9.888
  790   1HB   ALA  91          HB1       ALA  91 212.810  -1.675  -6.956
  791   2HB   ALA  91          HB2       ALA  91 213.674  -2.786  -8.020
  792   3HB   ALA  91          HB3       ALA  91 211.958  -2.466  -8.282
  793    H    THR  92           HN       THR  92 211.173  -0.890 -10.327
  794    HA   THR  92           HA       THR  92 210.281   1.761  -9.450
  795    HB   THR  92           HB       THR  92 208.822   1.729 -11.418
  796    HG1  THR  92           HG1      THR  92 208.396  -0.058 -12.404
  797   1HG2  THR  92          HG21      THR  92 210.511   1.594 -13.218
  798   2HG2  THR  92          HG22      THR  92 211.660   0.956 -12.041
  799   3HG2  THR  92          HG23      THR  92 211.012   2.585 -11.849
  800    H    MET  93           HN       MET  93 208.229   2.129  -8.640
  801    HA   MET  93           HA       MET  93 207.131   0.349  -6.882
  802   1HB   MET  93          HB2       MET  93 205.813   2.601  -8.396
  803   2HB   MET  93          HB1       MET  93 205.009   1.720  -7.106
  804   1HG   MET  93          HG2       MET  93 207.465   3.436  -6.901
  805   2HG   MET  93          HG1       MET  93 205.879   3.737  -6.201
  806   1HE   MET  93          HE1       MET  93 205.767   0.611  -3.701
  807   2HE   MET  93          HE2       MET  93 205.774   0.210  -5.420
  808   3HE   MET  93          HE3       MET  93 204.800   1.557  -4.832
  809    H    GLY  94           HN       GLY  94 206.270   0.799 -10.296
  810   1HA   GLY  94          HA2       GLY  94 204.073  -0.940 -10.378
  811   2HA   GLY  94          HA1       GLY  94 205.115  -0.560 -11.744
  812    H    GLN  95           HN       GLN  95 207.537  -1.572 -10.684
  813    HA   GLN  95           HA       GLN  95 207.334  -4.281 -11.417
  814   1HB   GLN  95          HB2       GLN  95 209.509  -2.724 -10.026
  815   2HB   GLN  95          HB1       GLN  95 209.677  -4.424 -10.439
  816   1HG   GLN  95          HG2       GLN  95 209.591  -3.984 -12.745
  817   2HG   GLN  95          HG1       GLN  95 209.001  -2.343 -12.489
  818   1HE2  GLN  95          HE21      GLN  95 211.110  -2.710 -14.120
  819   2HE2  GLN  95          HE22      GLN  95 212.563  -2.141 -13.378
  820    H    LEU  96           HN       LEU  96 207.410  -2.642  -8.305
  821    HA   LEU  96           HA       LEU  96 207.546  -5.004  -6.726
  822   1HB   LEU  96          HB2       LEU  96 206.392  -2.328  -5.933
  823   2HB   LEU  96          HB1       LEU  96 206.960  -3.588  -4.856
  824    HG   LEU  96           HG       LEU  96 208.627  -1.830  -6.647
  825   1HD1  LEU  96          HD11      LEU  96 209.660  -1.156  -4.540
  826   2HD1  LEU  96          HD12      LEU  96 208.568  -2.225  -3.658
  827   3HD1  LEU  96          HD13      LEU  96 207.926  -0.834  -4.535
  828   1HD2  LEU  96          HD21      LEU  96 209.381  -4.235  -6.628
  829   2HD2  LEU  96          HD22      LEU  96 209.644  -4.056  -4.894
  830   3HD2  LEU  96          HD23      LEU  96 210.558  -3.065  -6.033
  831    H    TYR  97           HN       TYR  97 204.935  -3.016  -7.993
  832    HA   TYR  97           HA       TYR  97 202.821  -4.300  -6.640
  833   1HB   TYR  97          HB2       TYR  97 202.524  -2.122  -7.703
  834   2HB   TYR  97          HB1       TYR  97 202.810  -2.840  -9.287
  835    HD1  TYR  97           HD1      TYR  97 201.189  -4.744  -9.996
  836    HD2  TYR  97           HD2      TYR  97 200.362  -1.957  -6.893
  837    HE1  TYR  97           HE1      TYR  97 198.786  -5.234 -10.205
  838    HE2  TYR  97           HE2      TYR  97 197.958  -2.439  -7.090
  839    HH   TYR  97           HH       TYR  97 196.372  -3.486  -8.291
  840    H    GLN  98           HN       GLN  98 204.625  -5.080  -9.518
  841    HA   GLN  98           HA       GLN  98 202.719  -7.094 -10.347
  842   1HB   GLN  98          HB2       GLN  98 205.434  -6.367 -11.433
  843   2HB   GLN  98          HB1       GLN  98 204.330  -7.527 -12.160
  844   1HG   GLN  98          HG2       GLN  98 202.764  -5.295 -11.902
  845   2HG   GLN  98          HG1       GLN  98 204.346  -4.621 -12.293
  846   1HE2  GLN  98          HE21      GLN  98 205.022  -4.669 -14.338
  847   2HE2  GLN  98          HE22      GLN  98 204.219  -5.484 -15.632
  848    H    GLU  99           HN       GLU  99 205.632  -6.920  -8.471
  849    HA   GLU  99           HA       GLU  99 205.764  -9.865  -8.445
  850   1HB   GLU  99          HB2       GLU  99 207.912  -7.788  -8.157
  851   2HB   GLU  99          HB1       GLU  99 208.157  -9.458  -7.661
  852   1HG   GLU  99          HG2       GLU  99 207.258  -9.907 -10.118
  853   2HG   GLU  99          HG1       GLU  99 207.922  -8.293 -10.369
  854    H    HIS 100           HN       HIS 100 204.651  -7.415  -6.529
  855    HA   HIS 100           HA       HIS 100 205.159  -9.032  -4.137
  856   1HB   HIS 100          HB2       HIS 100 205.509  -6.036  -4.267
  857   2HB   HIS 100          HB1       HIS 100 205.540  -6.993  -2.791
  858    HD1  HIS 100           HD1      HIS 100 207.778  -7.764  -2.072
  859    HD2  HIS 100           HD2      HIS 100 207.674  -6.879  -6.129
  860    HE1  HIS 100           HE1      HIS 100 210.143  -8.035  -2.879
  861    HE2  HIS 100           HE2      HIS 100 210.072  -7.403  -5.317
  862    H    HIS 101           HN       HIS 101 202.833  -7.761  -6.069
  863    HA   HIS 101           HA       HIS 101 201.047  -6.722  -4.092
  864   1HB   HIS 101          HB2       HIS 101 199.378  -6.673  -5.827
  865   2HB   HIS 101          HB1       HIS 101 200.904  -6.130  -6.514
  866    HD1  HIS 101           HD1      HIS 101 198.152  -8.202  -7.310
  867    HD2  HIS 101           HD2      HIS 101 202.263  -8.556  -7.814
  868    HE1  HIS 101           HE1      HIS 101 198.464  -9.927  -9.113
  869    HE2  HIS 101           HE2      HIS 101 200.956 -10.080  -9.445
  870    H    GLU 102           HN       GLU 102 200.363  -8.001  -2.496
  871    HA   GLU 102           HA       GLU 102 199.990 -10.826  -2.849
  872   1HB   GLU 102          HB2       GLU 102 199.411  -8.949  -0.555
  873   2HB   GLU 102          HB1       GLU 102 199.076 -10.673  -0.487
  874   1HG   GLU 102          HG2       GLU 102 201.809  -9.825  -1.261
  875   2HG   GLU 102          HG1       GLU 102 201.328  -9.635   0.424
  876    H    GLU 103           HN       GLU 103 198.471 -10.048  -4.749
  877    HA   GLU 103           HA       GLU 103 196.389 -10.007  -5.650
  878   1HB   GLU 103          HB2       GLU 103 196.404 -12.023  -3.763
  879   2HB   GLU 103          HB1       GLU 103 194.976 -11.094  -3.328
  880   1HG   GLU 103          HG2       GLU 103 193.976 -11.448  -5.423
  881   2HG   GLU 103          HG1       GLU 103 195.486 -12.013  -6.137
  882    H    ASP 104           HN       ASP 104 193.892  -9.522  -4.813
  883    HA   ASP 104           HA       ASP 104 192.431  -7.968  -3.987
  884   1HB   ASP 104          HB2       ASP 104 194.474  -8.049  -2.015
  885   2HB   ASP 104          HB1       ASP 104 194.092  -6.352  -2.297
  886    H    PHE 105           HN       PHE 105 194.875  -7.444  -5.985
  887    HA   PHE 105           HA       PHE 105 195.518  -5.782  -7.396
  888   1HB   PHE 105          HB2       PHE 105 192.787  -4.715  -6.653
  889   2HB   PHE 105          HB1       PHE 105 193.768  -4.106  -7.981
  890    HD1  PHE 105           HD1      PHE 105 193.134  -4.819 -10.058
  891    HD2  PHE 105           HD2      PHE 105 192.613  -7.443  -6.745
  892    HE1  PHE 105           HE1      PHE 105 192.170  -6.515 -11.555
  893    HE2  PHE 105           HE2      PHE 105 191.651  -9.142  -8.238
  894    HZ   PHE 105           HZ       PHE 105 191.426  -8.680 -10.646
  895    H    PHE 106           HN       PHE 106 195.777  -5.433  -4.305
  896    HA   PHE 106           HA       PHE 106 196.477  -2.588  -4.406
  897   1HB   PHE 106          HB2       PHE 106 194.866  -4.068  -2.492
  898   2HB   PHE 106          HB1       PHE 106 196.193  -3.207  -1.715
  899    HD1  PHE 106           HD1      PHE 106 194.119  -2.366  -4.664
  900    HD2  PHE 106           HD2      PHE 106 195.307  -1.332  -0.710
  901    HE1  PHE 106           HE1      PHE 106 192.829  -0.259  -4.826
  902    HE2  PHE 106           HE2      PHE 106 194.022   0.765  -0.862
  903    HZ   PHE 106           HZ       PHE 106 192.782   1.301  -2.922
  904    H    LEU 107           HN       LEU 107 198.559  -2.290  -4.403
  905    HA   LEU 107           HA       LEU 107 200.428  -4.267  -3.445
  906   1HB   LEU 107          HB2       LEU 107 201.052  -3.023  -5.396
  907   2HB   LEU 107          HB1       LEU 107 200.709  -1.494  -4.616
  908    HG   LEU 107           HG       LEU 107 203.119  -1.843  -4.892
  909   1HD1  LEU 107          HD11      LEU 107 202.795  -2.142  -1.975
  910   2HD1  LEU 107          HD12      LEU 107 201.930  -0.820  -2.758
  911   3HD1  LEU 107          HD13      LEU 107 203.681  -0.939  -2.911
  912   1HD2  LEU 107          HD21      LEU 107 202.478  -4.416  -3.549
  913   2HD2  LEU 107          HD22      LEU 107 204.020  -3.651  -3.164
  914   3HD2  LEU 107          HD23      LEU 107 203.633  -4.065  -4.835
  915    H    TYR 108           HN       TYR 108 201.133  -4.376  -1.356
  916    HA   TYR 108           HA       TYR 108 200.739  -1.976   0.304
  917   1HB   TYR 108          HB2       TYR 108 199.757  -3.185   1.948
  918   2HB   TYR 108          HB1       TYR 108 199.414  -4.299   0.633
  919    HD1  TYR 108           HD1      TYR 108 200.156  -4.318   3.827
  920    HD2  TYR 108           HD2      TYR 108 201.850  -5.766   0.221
  921    HE1  TYR 108           HE1      TYR 108 201.304  -6.099   5.096
  922    HE2  TYR 108           HE2      TYR 108 203.006  -7.552   1.461
  923    HH   TYR 108           HH       TYR 108 202.277  -8.675   4.172
  924    H    ILE 109           HN       ILE 109 202.307  -1.311   1.678
  925    HA   ILE 109           HA       ILE 109 204.859  -2.777   1.678
  926    HB   ILE 109           HB       ILE 109 204.486   0.124   0.956
  927   1HG1  ILE 109          HG12      ILE 109 204.920  -2.364  -0.635
  928   2HG1  ILE 109          HG11      ILE 109 203.842  -1.010  -0.928
  929   1HG2  ILE 109          HG21      ILE 109 206.951  -0.021   0.391
  930   2HG2  ILE 109          HG22      ILE 109 206.976  -1.529   1.303
  931   3HG2  ILE 109          HG23      ILE 109 206.543  -0.019   2.105
  932   1HD1  ILE 109          HD11      ILE 109 205.729   0.360  -1.614
  933   2HD1  ILE 109          HD12      ILE 109 205.611  -1.111  -2.582
  934   3HD1  ILE 109          HD13      ILE 109 206.822  -0.989  -1.303
  935    H    ALA 110           HN       ALA 110 206.460  -1.801   3.196
  936    HA   ALA 110           HA       ALA 110 205.271  -0.353   5.468
  937   1HB   ALA 110          HB1       ALA 110 206.691  -1.819   6.965
  938   2HB   ALA 110          HB2       ALA 110 206.868  -2.899   5.583
  939   3HB   ALA 110          HB3       ALA 110 205.267  -2.582   6.256
  940    H    TYR 111           HN       TYR 111 206.903   0.651   6.848
  941    HA   TYR 111           HA       TYR 111 209.535   1.006   5.635
  942   1HB   TYR 111          HB2       TYR 111 209.402   3.381   5.513
  943   2HB   TYR 111          HB1       TYR 111 207.975   2.756   4.700
  944    HD1  TYR 111           HD1      TYR 111 205.793   3.210   5.527
  945    HD2  TYR 111           HD2      TYR 111 209.198   4.398   7.755
  946    HE1  TYR 111           HE1      TYR 111 204.350   4.574   6.967
  947    HE2  TYR 111           HE2      TYR 111 207.780   5.766   9.225
  948    HH   TYR 111           HH       TYR 111 205.667   6.373   9.731
  949    H    SER 112           HN       SER 112 211.068   0.991   7.144
  950    HA   SER 112           HA       SER 112 210.349   1.741   9.909
  951   1HB   SER 112          HB2       SER 112 210.798  -0.813   9.213
  952   2HB   SER 112          HB1       SER 112 212.464  -0.306   9.496
  953    HG   SER 112           HG       SER 112 212.009   0.092  11.580
  954    H    ASP 113           HN       ASP 113 212.376   2.121  11.253
  955    HA   ASP 113           HA       ASP 113 214.079   3.952   9.763
  956   1HB   ASP 113          HB2       ASP 113 212.958   4.623  11.911
  957   2HB   ASP 113          HB1       ASP 113 214.000   3.474  12.748
  958    H    GLU 114           HN       GLU 114 214.252   0.850   9.938
  959    HA   GLU 114           HA       GLU 114 217.169   0.786  10.214
  960   1HB   GLU 114          HB2       GLU 114 215.438  -1.435  11.288
  961   2HB   GLU 114          HB1       GLU 114 217.165  -1.200  11.518
  962   1HG   GLU 114          HG2       GLU 114 216.844   0.541  13.043
  963   2HG   GLU 114          HG1       GLU 114 215.165   0.773  12.557
  964    H    SER 115           HN       SER 115 217.971  -1.450   9.371
  965    HA   SER 115           HA       SER 115 216.864  -1.726   6.712
  966   1HB   SER 115          HB2       SER 115 218.808  -3.298   6.373
  967   2HB   SER 115          HB1       SER 115 219.256  -1.657   6.842
  968    HG   SER 115           HG       SER 115 219.791  -3.968   8.090
  969    H    VAL 116           HN       VAL 116 216.003  -3.063   9.558
  970    HA   VAL 116           HA       VAL 116 215.249  -5.623   8.314
  971    HB   VAL 116           HB       VAL 116 214.752  -5.699  11.125
  972   1HG1  VAL 116          HG11      VAL 116 215.099  -7.689   9.917
  973   2HG1  VAL 116          HG12      VAL 116 216.494  -7.538  10.985
  974   3HG1  VAL 116          HG13      VAL 116 216.644  -7.129   9.275
  975   1HG2  VAL 116          HG21      VAL 116 216.451  -3.916  11.311
  976   2HG2  VAL 116          HG22      VAL 116 217.611  -4.957  10.484
  977   3HG2  VAL 116          HG23      VAL 116 216.972  -5.425  12.060
  978    H    TYR 117           HN       TYR 117 213.093  -6.112   8.211
  979    HA   TYR 117           HA       TYR 117 211.175  -4.179   8.141
  980   1HB   TYR 117          HB2       TYR 117 210.558  -6.299   7.276
  981   2HB   TYR 117          HB1       TYR 117 210.879  -7.106   8.814
  982    HD1  TYR 117           HD1      TYR 117 208.837  -4.205   7.656
  983    HD2  TYR 117           HD2      TYR 117 208.976  -7.786   9.941
  984    HE1  TYR 117           HE1      TYR 117 206.514  -3.843   8.346
  985    HE2  TYR 117           HE2      TYR 117 206.647  -7.436  10.638
  986    HH   TYR 117           HH       TYR 117 205.076  -5.463  10.881
  987    H    GLY 118           HN       GLY 118 211.171  -2.691   9.745
  988   1HA   GLY 118          HA2       GLY 118 211.427  -2.167  12.125
  989   2HA   GLY 118          HA1       GLY 118 209.726  -2.191  11.696
  990    H    LEU 119           HN       LEU 119 212.330  -4.075  13.137
  991    HA   LEU 119           HA       LEU 119 210.347  -5.355  14.824
  992   1HB   LEU 119          HB2       LEU 119 211.832  -6.659  12.739
  993   2HB   LEU 119          HB1       LEU 119 212.272  -7.334  14.302
  994    HG   LEU 119           HG       LEU 119 209.628  -7.270  14.611
  995   1HD1  LEU 119          HD11      LEU 119 208.621  -8.107  12.465
  996   2HD1  LEU 119          HD12      LEU 119 210.080  -7.532  11.656
  997   3HD1  LEU 119          HD13      LEU 119 209.035  -6.391  12.506
  998   1HD2  LEU 119          HD21      LEU 119 210.955  -9.501  13.087
  999   2HD2  LEU 119          HD22      LEU 119 209.620  -9.614  14.234
 1000   3HD2  LEU 119          HD23      LEU 119 211.238  -9.202  14.802
  Start of MODEL    3
    1   1H    GLY   1          HT1       GLY   1 208.281 -11.238  15.763
    2   2H    GLY   1          HT2       GLY   1 208.376 -12.760  15.033
    3   3H    GLY   1          HT3       GLY   1 207.501 -12.565  16.468
    4   1HA   GLY   1          HA1       GLY   1 205.877 -12.671  14.807
    5   2HA   GLY   1          HA2       GLY   1 206.026 -10.971  15.226
    6    H    SER   2           HN       SER   2 205.059 -10.599  13.114
    7    HA   SER   2           HA       SER   2 207.124 -10.288  11.096
    8   1HB   SER   2          HB2       SER   2 205.995 -11.425   9.351
    9   2HB   SER   2          HB1       SER   2 205.962 -12.531  10.725
   10    HG   SER   2           HG       SER   2 203.915 -12.441   9.828
   11    H    MET   3           HN       MET   3 205.294  -9.602   8.989
   12    HA   MET   3           HA       MET   3 204.875  -6.901   9.585
   13   1HB   MET   3          HB2       MET   3 203.872  -8.643   7.349
   14   2HB   MET   3          HB1       MET   3 203.492  -6.928   7.443
   15   1HG   MET   3          HG2       MET   3 206.196  -6.916   7.769
   16   2HG   MET   3          HG1       MET   3 205.968  -8.269   6.664
   17   1HE   MET   3          HE1       MET   3 206.740  -4.478   6.543
   18   2HE   MET   3          HE2       MET   3 205.247  -4.646   7.468
   19   3HE   MET   3          HE3       MET   3 205.224  -3.835   5.904
   20    H    LYS   4           HN       LYS   4 203.256  -5.765  10.366
   21    HA   LYS   4           HA       LYS   4 200.678  -7.104  10.830
   22   1HB   LYS   4          HB2       LYS   4 202.484  -5.719  12.744
   23   2HB   LYS   4          HB1       LYS   4 200.754  -5.452  12.937
   24   1HG   LYS   4          HG2       LYS   4 201.083  -7.257  14.307
   25   2HG   LYS   4          HG1       LYS   4 200.641  -8.061  12.799
   26   1HD   LYS   4          HD2       LYS   4 202.738  -8.871  12.459
   27   2HD   LYS   4          HD1       LYS   4 203.514  -7.479  13.215
   28   1HE   LYS   4          HE2       LYS   4 203.780  -8.644  15.086
   29   2HE   LYS   4          HE1       LYS   4 202.032  -8.832  15.218
   30   1HZ   LYS   4          HZ1       LYS   4 202.216 -10.967  14.715
   31   2HZ   LYS   4          HZ2       LYS   4 203.900 -10.815  14.756
   32   3HZ   LYS   4          HZ3       LYS   4 203.071 -10.632  13.294
   33    H    PHE   5           HN       PHE   5 199.345  -6.093   9.449
   34    HA   PHE   5           HA       PHE   5 199.506  -3.161   9.251
   35   1HB   PHE   5          HB2       PHE   5 198.574  -5.265   7.306
   36   2HB   PHE   5          HB1       PHE   5 198.146  -3.570   7.106
   37    HD1  PHE   5           HD1      PHE   5 201.263  -5.370   8.065
   38    HD2  PHE   5           HD2      PHE   5 199.396  -2.583   5.452
   39    HE1  PHE   5           HE1      PHE   5 203.412  -4.968   6.961
   40    HE2  PHE   5           HE2      PHE   5 201.552  -2.174   4.340
   41    HZ   PHE   5           HZ       PHE   5 203.565  -3.370   5.093
   42    H    VAL   6           HN       VAL   6 197.438  -2.016   8.940
   43    HA   VAL   6           HA       VAL   6 195.219  -3.339  10.338
   44    HB   VAL   6           HB       VAL   6 194.836  -0.657  10.869
   45   1HG1  VAL   6          HG11      VAL   6 194.622  -2.743  12.322
   46   2HG1  VAL   6          HG12      VAL   6 195.110  -1.247  13.119
   47   3HG1  VAL   6          HG13      VAL   6 196.314  -2.478  12.741
   48   1HG2  VAL   6          HG21      VAL   6 196.981   0.080  11.899
   49   2HG2  VAL   6          HG22      VAL   6 197.025  -0.002  10.138
   50   3HG2  VAL   6          HG23      VAL   6 197.778  -1.275  11.099
   51    H    TYR   7           HN       TYR   7 195.498  -0.117   8.808
   52    HA   TYR   7           HA       TYR   7 192.987   0.015   7.752
   53   1HB   TYR   7          HB2       TYR   7 194.965   1.725   7.645
   54   2HB   TYR   7          HB1       TYR   7 195.265   0.999   6.068
   55    HD1  TYR   7           HD1      TYR   7 194.519   2.385   4.386
   56    HD2  TYR   7           HD2      TYR   7 192.149   1.974   7.894
   57    HE1  TYR   7           HE1      TYR   7 192.800   3.829   3.385
   58    HE2  TYR   7           HE2      TYR   7 190.422   3.416   6.904
   59    HH   TYR   7           HH       TYR   7 190.775   5.439   4.666
   60    H    LYS   8           HN       LYS   8 195.827  -1.399   6.136
   61    HA   LYS   8           HA       LYS   8 194.326  -2.263   3.862
   62   1HB   LYS   8          HB2       LYS   8 196.342  -2.859   2.983
   63   2HB   LYS   8          HB1       LYS   8 196.968  -1.888   4.309
   64   1HG   LYS   8          HG2       LYS   8 198.233  -3.782   4.506
   65   2HG   LYS   8          HG1       LYS   8 196.912  -4.153   5.613
   66   1HD   LYS   8          HD2       LYS   8 195.795  -5.371   3.729
   67   2HD   LYS   8          HD1       LYS   8 197.259  -5.126   2.783
   68   1HE   LYS   8          HE2       LYS   8 198.551  -6.434   4.289
   69   2HE   LYS   8          HE1       LYS   8 197.246  -6.473   5.473
   70   1HZ   LYS   8          HZ1       LYS   8 196.073  -8.010   4.261
   71   2HZ   LYS   8          HZ2       LYS   8 197.658  -8.498   3.933
   72   3HZ   LYS   8          HZ3       LYS   8 196.799  -7.593   2.792
   73    H    GLU   9           HN       GLU   9 195.278  -3.654   6.930
   74    HA   GLU   9           HA       GLU   9 194.553  -6.327   6.349
   75   1HB   GLU   9          HB2       GLU   9 195.951  -5.196   8.328
   76   2HB   GLU   9          HB1       GLU   9 194.403  -5.354   9.143
   77   1HG   GLU   9          HG2       GLU   9 195.989  -7.574   7.876
   78   2HG   GLU   9          HG1       GLU   9 195.814  -7.263   9.602
   79    H    GLU  10           HN       GLU  10 192.977  -4.040   8.574
   80    HA   GLU  10           HA       GLU  10 190.631  -5.351   9.021
   81   1HB   GLU  10          HB2       GLU  10 191.043  -2.378   8.665
   82   2HB   GLU  10          HB1       GLU  10 189.594  -3.099   9.351
   83   1HG   GLU  10          HG2       GLU  10 191.217  -4.208  11.024
   84   2HG   GLU  10          HG1       GLU  10 192.356  -2.975  10.485
   85    H    HIS  11           HN       HIS  11 191.340  -3.172   6.299
   86    HA   HIS  11           HA       HIS  11 188.805  -3.309   5.077
   87   1HB   HIS  11          HB2       HIS  11 191.563  -2.623   4.147
   88   2HB   HIS  11          HB1       HIS  11 190.299  -2.860   2.943
   89    HD1  HIS  11           HD1      HIS  11 190.342  -0.995   6.271
   90    HD2  HIS  11           HD2      HIS  11 189.380  -0.417   2.270
   91    HE1  HIS  11           HE1      HIS  11 189.458   1.354   6.124
   92    HE2  HIS  11           HE2      HIS  11 188.813   1.657   3.708
   93    HA   PRO  12           HA       PRO  12 188.927  -7.788   4.254
   94   1HB   PRO  12          HB2       PRO  12 186.744  -7.304   2.440
   95   2HB   PRO  12          HB1       PRO  12 186.724  -8.145   3.988
   96   1HG   PRO  12          HG2       PRO  12 185.895  -5.424   3.356
   97   2HG   PRO  12          HG1       PRO  12 185.576  -6.380   4.807
   98   1HD   PRO  12          HD2       PRO  12 187.246  -4.207   4.738
   99   2HD   PRO  12          HD1       PRO  12 187.385  -5.534   5.907
  100    H    PHE  13           HN       PHE  13 188.723  -9.057   2.142
  101    HA   PHE  13           HA       PHE  13 190.737  -8.178   0.385
  102   1HB   PHE  13          HB2       PHE  13 189.919 -10.588   0.921
  103   2HB   PHE  13          HB1       PHE  13 188.756 -10.301  -0.369
  104    HD1  PHE  13           HD1      PHE  13 189.991  -9.122  -2.521
  105    HD2  PHE  13           HD2      PHE  13 191.760 -11.780   0.299
  106    HE1  PHE  13           HE1      PHE  13 191.688  -9.755  -4.185
  107    HE2  PHE  13           HE2      PHE  13 193.460 -12.416  -1.362
  108    HZ   PHE  13           HZ       PHE  13 193.427 -11.404  -3.606
  109    H    GLU  14           HN       GLU  14 187.221  -8.468  -0.048
  110    HA   GLU  14           HA       GLU  14 187.032  -7.624  -2.670
  111   1HB   GLU  14          HB2       GLU  14 185.250  -8.017  -0.478
  112   2HB   GLU  14          HB1       GLU  14 184.846  -6.485  -1.240
  113   1HG   GLU  14          HG2       GLU  14 185.177  -8.152  -3.389
  114   2HG   GLU  14          HG1       GLU  14 184.448  -9.211  -2.182
  115    H    LYS  15           HN       LYS  15 187.757  -5.781   0.163
  116    HA   LYS  15           HA       LYS  15 187.155  -3.220  -0.975
  117   1HB   LYS  15          HB2       LYS  15 188.916  -3.822   1.406
  118   2HB   LYS  15          HB1       LYS  15 188.103  -2.308   1.034
  119   1HG   LYS  15          HG2       LYS  15 186.377  -4.674   1.275
  120   2HG   LYS  15          HG1       LYS  15 187.171  -4.130   2.743
  121   1HD   LYS  15          HD2       LYS  15 185.438  -2.465   0.936
  122   2HD   LYS  15          HD1       LYS  15 184.990  -3.100   2.522
  123   1HE   LYS  15          HE2       LYS  15 187.427  -1.677   2.812
  124   2HE   LYS  15          HE1       LYS  15 186.318  -0.663   1.890
  125   1HZ   LYS  15          HZ1       LYS  15 185.815  -0.136   4.062
  126   2HZ   LYS  15          HZ2       LYS  15 186.022  -1.718   4.625
  127   3HZ   LYS  15          HZ3       LYS  15 184.648  -1.315   3.722
  128    H    ARG  16           HN       ARG  16 190.188  -4.922  -0.185
  129    HA   ARG  16           HA       ARG  16 191.898  -3.021  -1.356
  130   1HB   ARG  16          HB2       ARG  16 192.377  -5.995  -1.070
  131   2HB   ARG  16          HB1       ARG  16 193.606  -4.754  -1.281
  132   1HG   ARG  16          HG2       ARG  16 193.305  -3.921   0.878
  133   2HG   ARG  16          HG1       ARG  16 191.742  -4.719   1.065
  134   1HD   ARG  16          HD2       ARG  16 193.769  -6.673   0.519
  135   2HD   ARG  16          HD1       ARG  16 194.273  -5.655   1.867
  136    HE   ARG  16           HE       ARG  16 191.692  -6.307   2.446
  137   1HH1  ARG  16          HH11      ARG  16 194.574  -8.136   1.724
  138   2HH1  ARG  16          HH12      ARG  16 194.105  -9.495   2.688
  139   1HH2  ARG  16          HH21      ARG  16 191.070  -8.097   3.712
  140   2HH2  ARG  16          HH22      ARG  16 192.115  -9.474   3.815
  141    H    ARG  17           HN       ARG  17 190.249  -5.853  -2.630
  142    HA   ARG  17           HA       ARG  17 191.482  -5.796  -5.195
  143   1HB   ARG  17          HB2       ARG  17 190.381  -7.800  -4.180
  144   2HB   ARG  17          HB1       ARG  17 188.826  -7.018  -4.436
  145   1HG   ARG  17          HG2       ARG  17 189.281  -6.967  -6.857
  146   2HG   ARG  17          HG1       ARG  17 190.792  -7.832  -6.566
  147   1HD   ARG  17          HD2       ARG  17 189.638  -9.751  -5.776
  148   2HD   ARG  17          HD1       ARG  17 188.106  -8.882  -5.709
  149    HE   ARG  17           HE       ARG  17 188.772  -8.731  -8.320
  150   1HH1  ARG  17          HH11      ARG  17 188.551 -11.397  -6.079
  151   2HH1  ARG  17          HH12      ARG  17 188.123 -12.549  -7.298
  152   1HH2  ARG  17          HH21      ARG  17 188.211 -10.246  -9.926
  153   2HH2  ARG  17          HH22      ARG  17 187.930 -11.896  -9.482
  154    H    SER  18           HN       SER  18 188.302  -4.729  -3.997
  155    HA   SER  18           HA       SER  18 187.170  -3.805  -6.301
  156   1HB   SER  18          HB2       SER  18 185.828  -3.735  -4.364
  157   2HB   SER  18          HB1       SER  18 187.011  -2.774  -3.475
  158    HG   SER  18           HG       SER  18 185.531  -1.880  -5.729
  159    H    GLU  19           HN       GLU  19 188.647  -1.518  -4.014
  160    HA   GLU  19           HA       GLU  19 188.903   0.627  -5.693
  161   1HB   GLU  19          HB2       GLU  19 189.786  -0.072  -3.121
  162   2HB   GLU  19          HB1       GLU  19 191.213   0.484  -3.983
  163   1HG   GLU  19          HG2       GLU  19 190.328   2.599  -4.334
  164   2HG   GLU  19          HG1       GLU  19 188.678   2.061  -4.020
  165    H    GLY  20           HN       GLY  20 191.357  -1.883  -5.101
  166   1HA   GLY  20          HA2       GLY  20 193.342  -0.880  -6.780
  167   2HA   GLY  20          HA1       GLY  20 193.140  -2.577  -6.369
  168    H    GLU  21           HN       GLU  21 191.039  -3.483  -7.566
  169    HA   GLU  21           HA       GLU  21 191.657  -3.904 -10.171
  170   1HB   GLU  21          HB2       GLU  21 190.061  -5.315  -9.229
  171   2HB   GLU  21          HB1       GLU  21 189.043  -3.981  -8.709
  172   1HG   GLU  21          HG2       GLU  21 187.986  -3.857 -10.667
  173   2HG   GLU  21          HG1       GLU  21 189.449  -4.172 -11.596
  174    H    LYS  22           HN       LYS  22 189.764  -1.233  -8.862
  175    HA   LYS  22           HA       LYS  22 189.007  -0.254 -11.463
  176   1HB   LYS  22          HB2       LYS  22 187.427   0.388  -9.920
  177   2HB   LYS  22          HB1       LYS  22 188.605   0.605  -8.635
  178   1HG   LYS  22          HG2       LYS  22 188.705   2.502 -10.913
  179   2HG   LYS  22          HG1       LYS  22 187.352   2.640  -9.788
  180   1HD   LYS  22          HD2       LYS  22 189.734   2.302  -8.268
  181   2HD   LYS  22          HD1       LYS  22 190.025   3.559  -9.472
  182   1HE   LYS  22          HE2       LYS  22 189.157   4.755  -7.686
  183   2HE   LYS  22          HE1       LYS  22 187.741   4.494  -8.703
  184   1HZ   LYS  22          HZ1       LYS  22 188.409   2.630  -6.512
  185   2HZ   LYS  22          HZ2       LYS  22 186.919   2.877  -7.274
  186   3HZ   LYS  22          HZ3       LYS  22 187.531   4.046  -6.215
  187    H    ILE  23           HN       ILE  23 191.206   0.763  -8.897
  188    HA   ILE  23           HA       ILE  23 192.357   2.992 -10.071
  189    HB   ILE  23           HB       ILE  23 193.400   0.907  -8.173
  190   1HG1  ILE  23          HG12      ILE  23 192.963   3.806  -7.572
  191   2HG1  ILE  23          HG11      ILE  23 191.578   2.730  -7.697
  192   1HG2  ILE  23          HG21      ILE  23 194.843   3.489  -8.698
  193   2HG2  ILE  23          HG22      ILE  23 195.263   2.005  -9.552
  194   3HG2  ILE  23          HG23      ILE  23 195.398   2.082  -7.797
  195   1HD1  ILE  23          HD11      ILE  23 193.275   3.166  -5.501
  196   2HD1  ILE  23          HD12      ILE  23 193.531   1.507  -6.041
  197   3HD1  ILE  23          HD13      ILE  23 191.908   2.060  -5.629
  198    H    ARG  24           HN       ARG  24 192.732  -0.369 -10.795
  199    HA   ARG  24           HA       ARG  24 195.094   0.040 -12.438
  200   1HB   ARG  24          HB2       ARG  24 193.454  -2.461 -12.010
  201   2HB   ARG  24          HB1       ARG  24 195.046  -2.369 -12.754
  202   1HG   ARG  24          HG2       ARG  24 194.575  -1.467  -9.937
  203   2HG   ARG  24          HG1       ARG  24 194.901  -3.154 -10.330
  204   1HD   ARG  24          HD2       ARG  24 196.670  -0.783 -10.912
  205   2HD   ARG  24          HD1       ARG  24 196.950  -2.035  -9.703
  206    HE   ARG  24           HE       ARG  24 196.744  -3.375 -12.085
  207   1HH1  ARG  24          HH11      ARG  24 198.771  -0.825 -10.833
  208   2HH1  ARG  24          HH12      ARG  24 200.134  -1.258 -11.810
  209   1HH2  ARG  24          HH21      ARG  24 198.536  -3.947 -13.370
  210   2HH2  ARG  24          HH22      ARG  24 200.000  -3.031 -13.250
  211    H    LYS  25           HN       LYS  25 191.661  -0.083 -12.773
  212    HA   LYS  25           HA       LYS  25 191.533  -0.888 -15.496
  213   1HB   LYS  25          HB2       LYS  25 189.608   0.621 -13.736
  214   2HB   LYS  25          HB1       LYS  25 189.231   0.093 -15.371
  215   1HG   LYS  25          HG2       LYS  25 190.206  -2.155 -13.973
  216   2HG   LYS  25          HG1       LYS  25 189.032  -1.351 -12.932
  217   1HD   LYS  25          HD2       LYS  25 188.620  -2.346 -15.736
  218   2HD   LYS  25          HD1       LYS  25 187.854  -2.931 -14.259
  219   1HE   LYS  25          HE2       LYS  25 186.981  -0.499 -14.055
  220   2HE   LYS  25          HE1       LYS  25 187.371  -0.397 -15.772
  221   1HZ   LYS  25          HZ1       LYS  25 185.585  -2.442 -14.565
  222   2HZ   LYS  25          HZ2       LYS  25 185.895  -2.224 -16.214
  223   3HZ   LYS  25          HZ3       LYS  25 185.051  -1.040 -15.349
  224    H    LYS  26           HN       LYS  26 191.244   2.267 -13.891
  225    HA   LYS  26           HA       LYS  26 191.391   3.615 -16.430
  226   1HB   LYS  26          HB2       LYS  26 189.934   4.245 -14.385
  227   2HB   LYS  26          HB1       LYS  26 191.385   5.070 -13.841
  228   1HG   LYS  26          HG2       LYS  26 191.118   5.846 -16.483
  229   2HG   LYS  26          HG1       LYS  26 189.465   5.832 -15.867
  230   1HD   LYS  26          HD2       LYS  26 191.728   7.181 -14.419
  231   2HD   LYS  26          HD1       LYS  26 190.750   8.006 -15.633
  232   1HE   LYS  26          HE2       LYS  26 188.757   7.675 -14.343
  233   2HE   LYS  26          HE1       LYS  26 189.615   6.648 -13.195
  234   1HZ   LYS  26          HZ1       LYS  26 191.068   8.862 -13.037
  235   2HZ   LYS  26          HZ2       LYS  26 189.729   8.565 -12.047
  236   3HZ   LYS  26          HZ3       LYS  26 189.567   9.546 -13.416
  237    H    TYR  27           HN       TYR  27 193.486   2.936 -13.732
  238    HA   TYR  27           HA       TYR  27 195.580   4.528 -15.060
  239   1HB   TYR  27          HB2       TYR  27 196.152   3.760 -12.288
  240   2HB   TYR  27          HB1       TYR  27 196.364   5.307 -13.090
  241    HD1  TYR  27           HD1      TYR  27 193.567   5.977 -13.819
  242    HD2  TYR  27           HD2      TYR  27 195.163   4.254 -10.277
  243    HE1  TYR  27           HE1      TYR  27 191.678   6.885 -12.527
  244    HE2  TYR  27           HE2      TYR  27 193.278   5.148  -8.978
  245    HH   TYR  27           HH       TYR  27 190.787   5.852  -9.595
  246    HA   PRO  28           HA       PRO  28 196.958   0.197 -15.502
  247   1HB   PRO  28          HB2       PRO  28 198.113   1.070 -18.015
  248   2HB   PRO  28          HB1       PRO  28 196.808  -0.084 -17.741
  249   1HG   PRO  28          HG2       PRO  28 196.429   2.353 -18.900
  250   2HG   PRO  28          HG1       PRO  28 195.177   1.508 -17.975
  251   1HD   PRO  28          HD2       PRO  28 196.980   3.739 -17.122
  252   2HD   PRO  28          HD1       PRO  28 195.249   3.496 -16.797
  253    H    ASP  29           HN       ASP  29 198.628   3.245 -15.735
  254    HA   ASP  29           HA       ASP  29 201.247   1.979 -15.586
  255   1HB   ASP  29          HB2       ASP  29 200.243   4.721 -16.138
  256   2HB   ASP  29          HB1       ASP  29 201.839   4.582 -15.407
  257    H    ARG  30           HN       ARG  30 198.916   3.453 -13.502
  258    HA   ARG  30           HA       ARG  30 200.823   3.944 -11.368
  259   1HB   ARG  30          HB2       ARG  30 197.870   4.343 -11.711
  260   2HB   ARG  30          HB1       ARG  30 198.574   4.382 -10.104
  261   1HG   ARG  30          HG2       ARG  30 200.119   6.047 -11.824
  262   2HG   ARG  30          HG1       ARG  30 198.411   6.454 -12.000
  263   1HD   ARG  30          HD2       ARG  30 198.367   6.407  -9.429
  264   2HD   ARG  30          HD1       ARG  30 200.121   6.532  -9.546
  265    HE   ARG  30           HE       ARG  30 198.234   8.617  -9.942
  266   1HH1  ARG  30          HH11      ARG  30 201.317   7.431 -11.066
  267   2HH1  ARG  30          HH12      ARG  30 201.872   8.992 -11.573
  268   1HH2  ARG  30          HH21      ARG  30 198.963  10.668 -10.607
  269   2HH2  ARG  30          HH22      ARG  30 200.537  10.829 -11.310
  270    H    VAL  31           HN       VAL  31 200.563   2.982  -9.235
  271    HA   VAL  31           HA       VAL  31 199.244   0.364  -9.252
  272    HB   VAL  31           HB       VAL  31 201.066  -0.710  -8.105
  273   1HG1  VAL  31          HG11      VAL  31 201.385   0.465 -10.749
  274   2HG1  VAL  31          HG12      VAL  31 201.629  -1.195 -10.204
  275   3HG1  VAL  31          HG13      VAL  31 202.913  -0.002 -10.003
  276   1HG2  VAL  31          HG21      VAL  31 202.008   2.006  -7.699
  277   2HG2  VAL  31          HG22      VAL  31 203.277   0.944  -8.306
  278   3HG2  VAL  31          HG23      VAL  31 202.410   0.522  -6.827
  279    HA   PRO  32           HA       PRO  32 197.571   2.260  -5.539
  280   1HB   PRO  32          HB2       PRO  32 196.056   0.114  -4.799
  281   2HB   PRO  32          HB1       PRO  32 195.551   1.286  -6.019
  282   1HG   PRO  32          HG2       PRO  32 196.797  -1.409  -6.383
  283   2HG   PRO  32          HG1       PRO  32 195.450  -0.674  -7.273
  284   1HD   PRO  32          HD2       PRO  32 197.945  -0.759  -8.279
  285   2HD   PRO  32          HD1       PRO  32 196.864   0.618  -8.578
  286    H    VAL  33           HN       VAL  33 199.155   2.396  -4.063
  287    HA   VAL  33           HA       VAL  33 200.158  -0.082  -2.855
  288    HB   VAL  33           HB       VAL  33 201.371   2.685  -2.898
  289   1HG1  VAL  33          HG11      VAL  33 201.876   1.454  -0.812
  290   2HG1  VAL  33          HG12      VAL  33 203.300   1.753  -1.806
  291   3HG1  VAL  33          HG13      VAL  33 202.563   0.154  -1.781
  292   1HG2  VAL  33          HG21      VAL  33 201.467   1.538  -5.047
  293   2HG2  VAL  33          HG22      VAL  33 202.204   0.125  -4.278
  294   3HG2  VAL  33          HG23      VAL  33 203.073   1.662  -4.328
  295    H    ILE  34           HN       ILE  34 200.357  -0.266  -0.606
  296    HA   ILE  34           HA       ILE  34 198.836   1.694   0.969
  297    HB   ILE  34           HB       ILE  34 198.639  -1.312   1.073
  298   1HG1  ILE  34          HG12      ILE  34 197.111   0.003  -0.405
  299   2HG1  ILE  34          HG11      ILE  34 196.271  -0.907   0.848
  300   1HG2  ILE  34          HG21      ILE  34 198.486   0.569   3.294
  301   2HG2  ILE  34          HG22      ILE  34 198.582  -1.192   3.305
  302   3HG2  ILE  34          HG23      ILE  34 197.022  -0.395   3.104
  303   1HD1  ILE  34          HD11      ILE  34 195.872   1.726   0.259
  304   2HD1  ILE  34          HD12      ILE  34 196.959   1.812   1.645
  305   3HD1  ILE  34          HD13      ILE  34 195.432   0.939   1.774
  306    H    VAL  35           HN       VAL  35 200.981   2.578   1.335
  307    HA   VAL  35           HA       VAL  35 203.075   1.178   2.558
  308    HB   VAL  35           HB       VAL  35 202.445   4.119   2.829
  309   1HG1  VAL  35          HG11      VAL  35 204.097   3.731   4.398
  310   2HG1  VAL  35          HG12      VAL  35 205.037   4.142   2.961
  311   3HG1  VAL  35          HG13      VAL  35 204.852   2.453   3.439
  312   1HG2  VAL  35          HG21      VAL  35 202.541   3.482   0.495
  313   2HG2  VAL  35          HG22      VAL  35 204.069   2.641   0.761
  314   3HG2  VAL  35          HG23      VAL  35 203.986   4.396   0.925
  315    H    GLU  36           HN       GLU  36 203.864   1.312   4.742
  316    HA   GLU  36           HA       GLU  36 201.916   1.978   6.816
  317   1HB   GLU  36          HB2       GLU  36 202.265  -0.650   5.900
  318   2HB   GLU  36          HB1       GLU  36 203.173  -0.576   7.403
  319   1HG   GLU  36          HG2       GLU  36 200.317   0.333   7.145
  320   2HG   GLU  36          HG1       GLU  36 200.784  -1.304   7.604
  321    H    LYS  37           HN       LYS  37 202.879   2.112   8.959
  322    HA   LYS  37           HA       LYS  37 205.746   2.712   8.814
  323   1HB   LYS  37          HB2       LYS  37 203.941   4.344   9.761
  324   2HB   LYS  37          HB1       LYS  37 204.005   3.321  11.190
  325   1HG   LYS  37          HG2       LYS  37 206.674   3.901  10.549
  326   2HG   LYS  37          HG1       LYS  37 205.789   5.416  10.368
  327   1HD   LYS  37          HD2       LYS  37 206.509   5.319  12.625
  328   2HD   LYS  37          HD1       LYS  37 204.780   4.965  12.634
  329   1HE   LYS  37          HE2       LYS  37 205.101   2.738  13.119
  330   2HE   LYS  37          HE1       LYS  37 206.730   2.723  12.445
  331   1HZ   LYS  37          HZ1       LYS  37 207.061   4.416  14.460
  332   2HZ   LYS  37          HZ2       LYS  37 207.293   2.747  14.611
  333   3HZ   LYS  37          HZ3       LYS  37 205.837   3.447  15.112
  334    H    ALA  38           HN       ALA  38 206.754   0.805   9.038
  335    HA   ALA  38           HA       ALA  38 206.152  -1.481  10.293
  336   1HB   ALA  38          HB1       ALA  38 208.249  -0.906   9.018
  337   2HB   ALA  38          HB2       ALA  38 208.446  -2.002  10.386
  338   3HB   ALA  38          HB3       ALA  38 208.901  -0.300  10.548
  339    HA   PRO  39           HA       PRO  39 206.132  -1.055  14.654
  340   1HB   PRO  39          HB2       PRO  39 207.616  -3.417  15.251
  341   2HB   PRO  39          HB1       PRO  39 205.865  -3.217  15.222
  342   1HG   PRO  39          HG2       PRO  39 207.395  -4.715  13.440
  343   2HG   PRO  39          HG1       PRO  39 205.704  -4.236  13.224
  344   1HD   PRO  39          HD2       PRO  39 208.150  -3.129  11.998
  345   2HD   PRO  39          HD1       PRO  39 206.482  -3.115  11.406
  346    H    LYS  40           HN       LYS  40 207.415  -0.763  16.582
  347    HA   LYS  40           HA       LYS  40 209.159   0.206  17.684
  348   1HB   LYS  40          HB2       LYS  40 210.648  -1.785  15.978
  349   2HB   LYS  40          HB1       LYS  40 211.369  -0.905  17.318
  350   1HG   LYS  40          HG2       LYS  40 210.818  -2.867  18.346
  351   2HG   LYS  40          HG1       LYS  40 209.364  -1.918  18.663
  352   1HD   LYS  40          HD2       LYS  40 208.088  -3.134  17.206
  353   2HD   LYS  40          HD1       LYS  40 209.455  -3.532  16.165
  354   1HE   LYS  40          HE2       LYS  40 209.267  -5.563  17.111
  355   2HE   LYS  40          HE1       LYS  40 210.163  -4.819  18.435
  356   1HZ   LYS  40          HZ1       LYS  40 207.380  -5.633  18.307
  357   2HZ   LYS  40          HZ2       LYS  40 207.671  -4.162  19.089
  358   3HZ   LYS  40          HZ3       LYS  40 208.432  -5.572  19.631
  359    H    ALA  41           HN       ALA  41 208.767   0.871  14.453
  360    HA   ALA  41           HA       ALA  41 211.139   2.082  13.686
  361   1HB   ALA  41          HB1       ALA  41 209.975   3.010  11.911
  362   2HB   ALA  41          HB2       ALA  41 208.489   3.181  12.841
  363   3HB   ALA  41          HB3       ALA  41 209.011   1.581  12.297
  364    H    ARG  42           HN       ARG  42 212.066   3.967  14.190
  365    HA   ARG  42           HA       ARG  42 210.861   5.575  16.287
  366   1HB   ARG  42          HB2       ARG  42 213.571   6.086  15.094
  367   2HB   ARG  42          HB1       ARG  42 213.000   6.438  16.720
  368   1HG   ARG  42          HG2       ARG  42 213.076   4.129  17.322
  369   2HG   ARG  42          HG1       ARG  42 213.407   3.652  15.657
  370   1HD   ARG  42          HD2       ARG  42 215.554   4.777  15.734
  371   2HD   ARG  42          HD1       ARG  42 215.218   5.357  17.364
  372    HE   ARG  42           HE       ARG  42 215.123   2.493  17.094
  373   1HH1  ARG  42          HH11      ARG  42 217.169   5.252  17.713
  374   2HH1  ARG  42          HH12      ARG  42 218.364   4.331  18.562
  375   1HH2  ARG  42          HH21      ARG  42 216.694   1.281  18.210
  376   2HH2  ARG  42          HH22      ARG  42 218.096   2.077  18.844
  377    H    ILE  43           HN       ILE  43 209.684   5.659  13.780
  378    HA   ILE  43           HA       ILE  43 210.186   8.440  12.941
  379    HB   ILE  43           HB       ILE  43 209.009   7.542  10.783
  380   1HG1  ILE  43          HG12      ILE  43 210.349   5.053  11.836
  381   2HG1  ILE  43          HG11      ILE  43 208.608   5.292  11.711
  382   1HG2  ILE  43          HG21      ILE  43 211.777   6.600  10.815
  383   2HG2  ILE  43          HG22      ILE  43 211.547   8.242  11.417
  384   3HG2  ILE  43          HG23      ILE  43 210.999   7.809   9.797
  385   1HD1  ILE  43          HD11      ILE  43 209.489   5.866   9.189
  386   2HD1  ILE  43          HD12      ILE  43 208.781   4.339   9.728
  387   3HD1  ILE  43          HD13      ILE  43 210.535   4.535   9.690
  388    H    GLY  44           HN       GLY  44 208.236   9.346  11.777
  389   1HA   GLY  44          HA2       GLY  44 206.043   9.343  13.608
  390   2HA   GLY  44          HA1       GLY  44 206.141  10.238  12.098
  391    H    ASP  45           HN       ASP  45 204.036   8.469  13.457
  392    HA   ASP  45           HA       ASP  45 203.675   6.264  11.657
  393   1HB   ASP  45          HB2       ASP  45 201.596   5.886  12.829
  394   2HB   ASP  45          HB1       ASP  45 202.852   6.260  14.005
  395    H    LEU  46           HN       LEU  46 202.605   6.212   9.788
  396    HA   LEU  46           HA       LEU  46 201.614   8.694   8.696
  397   1HB   LEU  46          HB2       LEU  46 202.725   6.274   7.675
  398   2HB   LEU  46          HB1       LEU  46 201.162   6.527   6.920
  399    HG   LEU  46           HG       LEU  46 202.945   8.876   7.025
  400   1HD1  LEU  46          HD11      LEU  46 204.078   8.030   4.912
  401   2HD1  LEU  46          HD12      LEU  46 203.558   6.421   5.411
  402   3HD1  LEU  46          HD13      LEU  46 204.638   7.358   6.445
  403   1HD2  LEU  46          HD21      LEU  46 200.783   9.027   5.970
  404   2HD2  LEU  46          HD22      LEU  46 201.148   7.640   4.941
  405   3HD2  LEU  46          HD23      LEU  46 202.038   9.150   4.737
  406    H    ASP  47           HN       ASP  47 199.562   9.077   7.922
  407    HA   ASP  47           HA       ASP  47 197.460   7.354   9.042
  408   1HB   ASP  47          HB2       ASP  47 196.005   9.403   8.745
  409   2HB   ASP  47          HB1       ASP  47 197.292   9.563   9.937
  410    H    LYS  48           HN       LYS  48 198.856   8.541   6.146
  411    HA   LYS  48           HA       LYS  48 196.537   7.780   4.529
  412   1HB   LYS  48          HB2       LYS  48 197.497   9.912   3.947
  413   2HB   LYS  48          HB1       LYS  48 199.110   9.219   3.859
  414   1HG   LYS  48          HG2       LYS  48 197.501   7.769   2.055
  415   2HG   LYS  48          HG1       LYS  48 197.144   9.478   1.809
  416   1HD   LYS  48          HD2       LYS  48 199.895   9.431   2.048
  417   2HD   LYS  48          HD1       LYS  48 199.538   7.953   1.153
  418   1HE   LYS  48          HE2       LYS  48 199.941   9.993  -0.258
  419   2HE   LYS  48          HE1       LYS  48 198.419   9.155  -0.560
  420   1HZ   LYS  48          HZ1       LYS  48 198.214  11.217   1.434
  421   2HZ   LYS  48          HZ2       LYS  48 197.246  10.924   0.077
  422   3HZ   LYS  48          HZ3       LYS  48 198.682  11.805  -0.082
  423    H    LYS  49           HN       LYS  49 196.710   5.519   4.845
  424    HA   LYS  49           HA       LYS  49 199.066   4.041   4.375
  425   1HB   LYS  49          HB2       LYS  49 196.182   3.418   4.696
  426   2HB   LYS  49          HB1       LYS  49 197.162   2.199   3.892
  427   1HG   LYS  49          HG2       LYS  49 198.527   3.100   6.232
  428   2HG   LYS  49          HG1       LYS  49 196.869   2.654   6.651
  429   1HD   LYS  49          HD2       LYS  49 197.500   0.607   5.034
  430   2HD   LYS  49          HD1       LYS  49 199.100   0.981   5.674
  431   1HE   LYS  49          HE2       LYS  49 197.993   0.914   7.974
  432   2HE   LYS  49          HE1       LYS  49 196.625   0.148   7.161
  433   1HZ   LYS  49          HZ1       LYS  49 197.699  -1.766   7.058
  434   2HZ   LYS  49          HZ2       LYS  49 198.848  -1.115   8.114
  435   3HZ   LYS  49          HZ3       LYS  49 199.104  -1.056   6.445
  436    H    LYS  50           HN       LYS  50 196.254   4.684   2.291
  437    HA   LYS  50           HA       LYS  50 197.209   3.218   0.078
  438   1HB   LYS  50          HB2       LYS  50 194.833   3.950   0.522
  439   2HB   LYS  50          HB1       LYS  50 195.303   5.550  -0.029
  440   1HG   LYS  50          HG2       LYS  50 194.805   4.917  -2.090
  441   2HG   LYS  50          HG1       LYS  50 196.172   3.806  -2.028
  442   1HD   LYS  50          HD2       LYS  50 193.989   2.762  -2.683
  443   2HD   LYS  50          HD1       LYS  50 194.783   2.011  -1.301
  444   1HE   LYS  50          HE2       LYS  50 192.983   4.155  -0.521
  445   2HE   LYS  50          HE1       LYS  50 192.160   2.882  -1.420
  446   1HZ   LYS  50          HZ1       LYS  50 192.187   1.633   0.390
  447   2HZ   LYS  50          HZ2       LYS  50 192.957   2.864   1.255
  448   3HZ   LYS  50          HZ3       LYS  50 193.877   1.692   0.453
  449    H    TYR  51           HN       TYR  51 198.167   3.831  -1.819
  450    HA   TYR  51           HA       TYR  51 199.114   6.552  -2.186
  451   1HB   TYR  51          HB2       TYR  51 200.923   4.204  -1.677
  452   2HB   TYR  51          HB1       TYR  51 201.463   5.565  -2.653
  453    HD1  TYR  51           HD1      TYR  51 201.850   7.742  -1.641
  454    HD2  TYR  51           HD2      TYR  51 200.585   4.425   0.688
  455    HE1  TYR  51           HE1      TYR  51 202.478   8.952   0.404
  456    HE2  TYR  51           HE2      TYR  51 201.205   5.622   2.748
  457    HH   TYR  51           HH       TYR  51 203.144   7.828   3.072
  458    H    LEU  52           HN       LEU  52 198.648   7.001  -4.241
  459    HA   LEU  52           HA       LEU  52 198.593   4.800  -6.177
  460   1HB   LEU  52          HB2       LEU  52 196.831   6.869  -5.742
  461   2HB   LEU  52          HB1       LEU  52 197.758   7.458  -7.107
  462    HG   LEU  52           HG       LEU  52 197.145   5.533  -8.436
  463   1HD1  LEU  52          HD11      LEU  52 196.622   4.363  -5.876
  464   2HD1  LEU  52          HD12      LEU  52 196.707   3.590  -7.459
  465   3HD1  LEU  52          HD13      LEU  52 195.177   4.250  -6.880
  466   1HD2  LEU  52          HD21      LEU  52 195.352   7.476  -7.495
  467   2HD2  LEU  52          HD22      LEU  52 194.458   5.957  -7.515
  468   3HD2  LEU  52          HD23      LEU  52 195.242   6.537  -8.983
  469    H    VAL  53           HN       VAL  53 200.889   4.673  -6.250
  470    HA   VAL  53           HA       VAL  53 202.242   6.915  -7.565
  471    HB   VAL  53           HB       VAL  53 204.203   5.040  -7.140
  472   1HG1  VAL  53          HG11      VAL  53 203.276   7.327  -5.415
  473   2HG1  VAL  53          HG12      VAL  53 204.510   7.349  -6.674
  474   3HG1  VAL  53          HG13      VAL  53 204.803   6.479  -5.168
  475   1HG2  VAL  53          HG21      VAL  53 202.261   4.881  -4.840
  476   2HG2  VAL  53          HG22      VAL  53 203.938   4.345  -4.769
  477   3HG2  VAL  53          HG23      VAL  53 202.808   3.557  -5.869
  478    HA   PRO  54           HA       PRO  54 202.418   5.122 -11.566
  479   1HB   PRO  54          HB2       PRO  54 205.358   5.567 -11.491
  480   2HB   PRO  54          HB1       PRO  54 204.168   6.109 -12.680
  481   1HG   PRO  54          HG2       PRO  54 205.216   7.813 -10.916
  482   2HG   PRO  54          HG1       PRO  54 203.513   7.921 -11.395
  483   1HD   PRO  54          HD2       PRO  54 204.713   6.857  -8.878
  484   2HD   PRO  54          HD1       PRO  54 203.196   7.748  -9.118
  485    H    SER  55           HN       SER  55 204.113   3.614 -12.845
  486    HA   SER  55           HA       SER  55 204.532   1.292 -11.090
  487   1HB   SER  55          HB2       SER  55 204.384  -0.074 -13.155
  488   2HB   SER  55          HB1       SER  55 202.926   0.882 -12.891
  489    HG   SER  55           HG       SER  55 204.977   1.246 -14.784
  490    H    ASP  56           HN       ASP  56 206.125   3.625 -13.007
  491    HA   ASP  56           HA       ASP  56 208.544   2.003 -13.236
  492   1HB   ASP  56          HB2       ASP  56 207.565   3.545 -15.109
  493   2HB   ASP  56          HB1       ASP  56 208.314   4.842 -14.184
  494    H    LEU  57           HN       LEU  57 207.065   4.050 -11.071
  495    HA   LEU  57           HA       LEU  57 209.135   5.687 -10.180
  496   1HB   LEU  57          HB2       LEU  57 206.791   5.954  -9.500
  497   2HB   LEU  57          HB1       LEU  57 206.910   4.480  -8.553
  498    HG   LEU  57           HG       LEU  57 208.925   5.771  -7.433
  499   1HD1  LEU  57          HD11      LEU  57 207.233   7.925  -8.646
  500   2HD1  LEU  57          HD12      LEU  57 208.984   7.727  -8.700
  501   3HD1  LEU  57          HD13      LEU  57 208.197   8.196  -7.194
  502   1HD2  LEU  57          HD21      LEU  57 206.058   5.612  -6.879
  503   2HD2  LEU  57          HD22      LEU  57 206.881   6.928  -6.045
  504   3HD2  LEU  57          HD23      LEU  57 207.437   5.268  -5.836
  505    H    THR  58           HN       THR  58 211.091   4.897  -9.767
  506    HA   THR  58           HA       THR  58 211.639   2.329  -8.759
  507    HB   THR  58           HB       THR  58 213.895   3.614  -8.126
  508    HG1  THR  58           HG1      THR  58 212.905   5.234 -10.210
  509   1HG2  THR  58          HG21      THR  58 213.071   2.084 -10.257
  510   2HG2  THR  58          HG22      THR  58 214.720   2.611  -9.920
  511   3HG2  THR  58          HG23      THR  58 213.701   3.548 -11.013
  512    H    VAL  59           HN       VAL  59 212.214   1.600  -6.755
  513    HA   VAL  59           HA       VAL  59 210.832   2.402  -4.550
  514    HB   VAL  59           HB       VAL  59 213.424   0.933  -4.848
  515   1HG1  VAL  59          HG11      VAL  59 213.780   2.017  -2.760
  516   2HG1  VAL  59          HG12      VAL  59 213.258   0.371  -2.397
  517   3HG1  VAL  59          HG13      VAL  59 212.120   1.711  -2.245
  518   1HG2  VAL  59          HG21      VAL  59 211.036  -0.178  -3.498
  519   2HG2  VAL  59          HG22      VAL  59 212.182  -0.947  -4.595
  520   3HG2  VAL  59          HG23      VAL  59 210.929   0.116  -5.234
  521    H    GLY  60           HN       GLY  60 213.882   3.669  -5.731
  522   1HA   GLY  60          HA2       GLY  60 214.651   5.149  -3.463
  523   2HA   GLY  60          HA1       GLY  60 215.112   5.513  -5.122
  524    H    GLN  61           HN       GLN  61 212.659   6.034  -6.262
  525    HA   GLN  61           HA       GLN  61 212.203   8.714  -5.498
  526   1HB   GLN  61          HB2       GLN  61 210.587   6.840  -7.232
  527   2HB   GLN  61          HB1       GLN  61 210.253   8.560  -7.061
  528   1HG   GLN  61          HG2       GLN  61 212.586   8.986  -7.847
  529   2HG   GLN  61          HG1       GLN  61 212.691   7.268  -8.226
  530   1HE2  GLN  61          HE21      GLN  61 210.681   6.506  -9.506
  531   2HE2  GLN  61          HE22      GLN  61 210.256   7.472 -10.873
  532    H    PHE  62           HN       PHE  62 210.288   5.762  -5.093
  533    HA   PHE  62           HA       PHE  62 208.076   6.759  -3.793
  534   1HB   PHE  62          HB2       PHE  62 208.619   4.341  -4.497
  535   2HB   PHE  62          HB1       PHE  62 209.382   4.194  -2.917
  536    HD1  PHE  62           HD1      PHE  62 206.294   6.035  -3.827
  537    HD2  PHE  62           HD2      PHE  62 207.999   2.721  -1.778
  538    HE1  PHE  62           HE1      PHE  62 204.102   5.528  -2.835
  539    HE2  PHE  62           HE2      PHE  62 205.808   2.204  -0.782
  540    HZ   PHE  62           HZ       PHE  62 203.858   3.611  -1.315
  541    H    TYR  63           HN       TYR  63 211.208   5.883  -2.410
  542    HA   TYR  63           HA       TYR  63 210.677   6.185   0.292
  543   1HB   TYR  63          HB2       TYR  63 213.075   6.434  -1.436
  544   2HB   TYR  63          HB1       TYR  63 213.190   7.177   0.154
  545    HD1  TYR  63           HD1      TYR  63 213.953   4.358  -1.607
  546    HD2  TYR  63           HD2      TYR  63 212.168   5.503   2.076
  547    HE1  TYR  63           HE1      TYR  63 214.538   2.169  -0.650
  548    HE2  TYR  63           HE2      TYR  63 212.747   3.328   3.045
  549    HH   TYR  63           HH       TYR  63 214.909   1.407   2.110
  550    H    PHE  64           HN       PHE  64 212.349   8.572  -1.661
  551    HA   PHE  64           HA       PHE  64 212.333  10.768  -0.115
  552   1HB   PHE  64          HB2       PHE  64 213.412  10.969  -2.169
  553   2HB   PHE  64          HB1       PHE  64 212.016  10.393  -3.068
  554    HD1  PHE  64           HD1      PHE  64 210.543  11.879  -4.066
  555    HD2  PHE  64           HD2      PHE  64 213.301  13.299  -1.151
  556    HE1  PHE  64           HE1      PHE  64 209.941  14.199  -4.632
  557    HE2  PHE  64           HE2      PHE  64 212.702  15.620  -1.708
  558    HZ   PHE  64           HZ       PHE  64 211.020  16.072  -3.451
  559    H    LEU  65           HN       LEU  65 209.519   9.532  -1.859
  560    HA   LEU  65           HA       LEU  65 207.921  11.841  -1.313
  561   1HB   LEU  65          HB2       LEU  65 206.562  10.955  -2.829
  562   2HB   LEU  65          HB1       LEU  65 207.757   9.690  -3.040
  563    HG   LEU  65           HG       LEU  65 206.556   8.480  -1.156
  564   1HD1  LEU  65          HD11      LEU  65 204.090   9.905  -1.938
  565   2HD1  LEU  65          HD12      LEU  65 205.186  10.780  -0.868
  566   3HD1  LEU  65          HD13      LEU  65 204.550   9.206  -0.387
  567   1HD2  LEU  65          HD21      LEU  65 204.935   8.837  -3.662
  568   2HD2  LEU  65          HD22      LEU  65 205.142   7.381  -2.691
  569   3HD2  LEU  65          HD23      LEU  65 206.485   7.998  -3.653
  570    H    ILE  66           HN       ILE  66 208.308   8.645   0.139
  571    HA   ILE  66           HA       ILE  66 206.244   9.033   2.085
  572    HB   ILE  66           HB       ILE  66 208.531   7.062   1.964
  573   1HG1  ILE  66          HG12      ILE  66 206.925   6.678   0.210
  574   2HG1  ILE  66          HG11      ILE  66 206.691   5.447   1.447
  575   1HG2  ILE  66          HG21      ILE  66 206.778   5.902   3.645
  576   2HG2  ILE  66          HG22      ILE  66 206.541   7.597   4.074
  577   3HG2  ILE  66          HG23      ILE  66 208.147   6.876   4.182
  578   1HD1  ILE  66          HD11      ILE  66 205.021   7.932   1.168
  579   2HD1  ILE  66          HD12      ILE  66 204.754   6.596   2.285
  580   3HD1  ILE  66          HD13      ILE  66 204.586   6.342   0.548
  581    H    ARG  67           HN       ARG  67 209.700   9.560   1.913
  582    HA   ARG  67           HA       ARG  67 210.420   9.931   4.537
  583   1HB   ARG  67          HB2       ARG  67 211.511  10.517   1.998
  584   2HB   ARG  67          HB1       ARG  67 211.578  12.023   2.906
  585   1HG   ARG  67          HG2       ARG  67 213.271  11.301   4.142
  586   2HG   ARG  67          HG1       ARG  67 212.466   9.768   4.490
  587   1HD   ARG  67          HD2       ARG  67 214.549   9.374   3.315
  588   2HD   ARG  67          HD1       ARG  67 213.177   8.919   2.301
  589    HE   ARG  67           HE       ARG  67 214.075  11.600   1.838
  590   1HH1  ARG  67          HH11      ARG  67 214.632   8.247   1.045
  591   2HH1  ARG  67          HH12      ARG  67 215.372   8.601  -0.480
  592   1HH2  ARG  67          HH21      ARG  67 215.050  12.067  -0.168
  593   2HH2  ARG  67          HH22      ARG  67 215.611  10.769  -1.168
  594    H    LYS  68           HN       LYS  68 208.754  12.224   2.408
  595    HA   LYS  68           HA       LYS  68 208.768  14.370   4.287
  596   1HB   LYS  68          HB2       LYS  68 206.862  13.948   1.986
  597   2HB   LYS  68          HB1       LYS  68 207.255  15.471   2.771
  598   1HG   LYS  68          HG2       LYS  68 208.975  15.798   1.416
  599   2HG   LYS  68          HG1       LYS  68 209.639  14.204   1.785
  600   1HD   LYS  68          HD2       LYS  68 208.215  13.188   0.109
  601   2HD   LYS  68          HD1       LYS  68 207.441  14.741  -0.211
  602   1HE   LYS  68          HE2       LYS  68 210.376  14.179  -0.605
  603   2HE   LYS  68          HE1       LYS  68 209.166  14.109  -1.885
  604   1HZ   LYS  68          HZ1       LYS  68 210.581  16.315  -1.124
  605   2HZ   LYS  68          HZ2       LYS  68 209.059  16.568  -0.431
  606   3HZ   LYS  68          HZ3       LYS  68 209.198  16.308  -2.097
  607    H    ARG  69           HN       ARG  69 206.419  11.888   3.361
  608    HA   ARG  69           HA       ARG  69 204.256  12.736   4.888
  609   1HB   ARG  69          HB2       ARG  69 205.052   9.868   4.376
  610   2HB   ARG  69          HB1       ARG  69 203.440  10.463   4.750
  611   1HG   ARG  69          HG2       ARG  69 204.619  11.751   2.424
  612   2HG   ARG  69          HG1       ARG  69 204.444  10.004   2.242
  613   1HD   ARG  69          HD2       ARG  69 202.208  10.121   2.141
  614   2HD   ARG  69          HD1       ARG  69 202.116  11.333   3.419
  615    HE   ARG  69           HE       ARG  69 203.107  12.351   0.918
  616   1HH1  ARG  69          HH11      ARG  69 200.250  11.673   2.804
  617   2HH1  ARG  69          HH12      ARG  69 199.270  12.828   1.965
  618   1HH2  ARG  69          HH21      ARG  69 201.820  13.870  -0.186
  619   2HH2  ARG  69          HH22      ARG  69 200.161  14.075   0.267
  620    H    ILE  70           HN       ILE  70 207.256  11.375   5.871
  621    HA   ILE  70           HA       ILE  70 206.234  10.913   8.584
  622    HB   ILE  70           HB       ILE  70 208.853   9.986   8.578
  623   1HG1  ILE  70          HG12      ILE  70 207.521   8.894   6.108
  624   2HG1  ILE  70          HG11      ILE  70 208.692  10.207   6.036
  625   1HG2  ILE  70          HG21      ILE  70 206.726   8.045   7.967
  626   2HG2  ILE  70          HG22      ILE  70 206.450   9.106   9.346
  627   3HG2  ILE  70          HG23      ILE  70 207.886   8.087   9.294
  628   1HD1  ILE  70          HD11      ILE  70 210.440   8.855   6.466
  629   2HD1  ILE  70          HD12      ILE  70 209.360   7.650   5.764
  630   3HD1  ILE  70          HD13      ILE  70 209.504   7.789   7.517
  631    H    HIS  71           HN       HIS  71 208.094  13.026   6.699
  632    HA   HIS  71           HA       HIS  71 209.016  15.031   7.217
  633   1HB   HIS  71          HB2       HIS  71 208.705  14.341  10.143
  634   2HB   HIS  71          HB1       HIS  71 209.010  15.928   9.453
  635    HD1  HIS  71           HD1      HIS  71 206.856  16.782  10.665
  636    HD2  HIS  71           HD2      HIS  71 206.184  13.879   7.769
  637    HE1  HIS  71           HE1      HIS  71 204.384  16.843  10.211
  638    HE2  HIS  71           HE2      HIS  71 203.990  15.022   8.515
  639    H    LEU  72           HN       LEU  72 210.599  13.228   6.391
  640    HA   LEU  72           HA       LEU  72 212.907  13.163   8.224
  641   1HB   LEU  72          HB2       LEU  72 211.944  11.333   6.102
  642   2HB   LEU  72          HB1       LEU  72 213.681  11.501   6.301
  643    HG   LEU  72           HG       LEU  72 213.347  10.962   8.742
  644   1HD1  LEU  72          HD11      LEU  72 211.052  11.437   9.029
  645   2HD1  LEU  72          HD12      LEU  72 211.245   9.694   9.235
  646   3HD1  LEU  72          HD13      LEU  72 210.590  10.339   7.729
  647   1HD2  LEU  72          HD21      LEU  72 213.117   9.166   6.438
  648   2HD2  LEU  72          HD22      LEU  72 212.609   8.471   7.977
  649   3HD2  LEU  72          HD23      LEU  72 214.234   9.133   7.801
  650    H    ARG  73           HN       ARG  73 214.917  13.807   7.479
  651    HA   ARG  73           HA       ARG  73 214.820  15.561   5.111
  652   1HB   ARG  73          HB2       ARG  73 216.962  16.521   6.358
  653   2HB   ARG  73          HB1       ARG  73 215.335  17.052   6.759
  654   1HG   ARG  73          HG2       ARG  73 216.518  14.747   8.231
  655   2HG   ARG  73          HG1       ARG  73 217.018  16.390   8.637
  656   1HD   ARG  73          HD2       ARG  73 214.545  16.934   8.825
  657   2HD   ARG  73          HD1       ARG  73 214.259  15.195   8.765
  658    HE   ARG  73           HE       ARG  73 216.172  15.802  10.754
  659   1HH1  ARG  73          HH11      ARG  73 212.752  16.036  10.100
  660   2HH1  ARG  73          HH12      ARG  73 212.301  15.972  11.769
  661   1HH2  ARG  73          HH21      ARG  73 215.580  15.715  12.952
  662   2HH2  ARG  73          HH22      ARG  73 213.906  15.790  13.390
  663    H    ALA  74           HN       ALA  74 215.257  12.986   4.496
  664    HA   ALA  74           HA       ALA  74 216.648  11.634   3.309
  665   1HB   ALA  74          HB1       ALA  74 218.922  13.470   3.169
  666   2HB   ALA  74          HB2       ALA  74 217.397  14.152   2.602
  667   3HB   ALA  74          HB3       ALA  74 218.023  12.670   1.880
  668    H    GLU  75           HN       GLU  75 218.928  13.553   5.283
  669    HA   GLU  75           HA       GLU  75 220.707  11.560   5.895
  670   1HB   GLU  75          HB2       GLU  75 219.782  13.906   7.545
  671   2HB   GLU  75          HB1       GLU  75 221.081  12.845   8.068
  672   1HG   GLU  75          HG2       GLU  75 222.032  13.405   5.675
  673   2HG   GLU  75          HG1       GLU  75 221.021  14.836   5.870
  674    H    ASP  76           HN       ASP  76 217.536  12.133   7.195
  675    HA   ASP  76           HA       ASP  76 217.647  10.474   9.471
  676   1HB   ASP  76          HB2       ASP  76 215.339  11.264   7.690
  677   2HB   ASP  76          HB1       ASP  76 215.155  10.372   9.198
  678    H    ALA  77           HN       ALA  77 216.410   8.464   9.682
  679    HA   ALA  77           HA       ALA  77 217.254   6.636   7.567
  680   1HB   ALA  77          HB1       ALA  77 218.006   5.960   9.701
  681   2HB   ALA  77          HB2       ALA  77 216.701   4.861   9.251
  682   3HB   ALA  77          HB3       ALA  77 216.402   6.159  10.409
  683    H    LEU  78           HN       LEU  78 215.939   5.370   6.422
  684    HA   LEU  78           HA       LEU  78 213.177   4.970   7.029
  685   1HB   LEU  78          HB2       LEU  78 213.006   7.228   6.164
  686   2HB   LEU  78          HB1       LEU  78 213.907   6.781   4.730
  687    HG   LEU  78           HG       LEU  78 212.071   5.290   4.049
  688   1HD1  LEU  78          HD11      LEU  78 210.860   6.267   6.612
  689   2HD1  LEU  78          HD12      LEU  78 211.077   4.608   6.053
  690   3HD1  LEU  78          HD13      LEU  78 209.873   5.647   5.288
  691   1HD2  LEU  78          HD21      LEU  78 210.406   7.072   3.564
  692   2HD2  LEU  78          HD22      LEU  78 212.066   7.519   3.166
  693   3HD2  LEU  78          HD23      LEU  78 211.310   8.147   4.631
  694    H    PHE  79           HN       PHE  79 213.177   2.856   6.601
  695    HA   PHE  79           HA       PHE  79 214.129   1.997   3.947
  696   1HB   PHE  79          HB2       PHE  79 214.180   0.342   6.483
  697   2HB   PHE  79          HB1       PHE  79 214.784  -0.143   4.903
  698    HD1  PHE  79           HD1      PHE  79 215.312   2.271   7.662
  699    HD2  PHE  79           HD2      PHE  79 216.977   0.320   4.266
  700    HE1  PHE  79           HE1      PHE  79 217.530   3.155   8.249
  701    HE2  PHE  79           HE2      PHE  79 219.201   1.204   4.846
  702    HZ   PHE  79           HZ       PHE  79 219.479   2.624   6.841
  703    H    PHE  80           HN       PHE  80 212.681   0.948   2.720
  704    HA   PHE  80           HA       PHE  80 210.013   0.621   3.752
  705   1HB   PHE  80          HB2       PHE  80 211.230   0.262   1.023
  706   2HB   PHE  80          HB1       PHE  80 209.564  -0.190   1.364
  707    HD1  PHE  80           HD1      PHE  80 210.722   1.940  -0.579
  708    HD2  PHE  80           HD2      PHE  80 209.064   2.134   3.336
  709    HE1  PHE  80           HE1      PHE  80 210.022   4.260  -0.991
  710    HE2  PHE  80           HE2      PHE  80 208.364   4.454   2.933
  711    HZ   PHE  80           HZ       PHE  80 208.844   5.520   0.767
  712    H    PHE  81           HN       PHE  81 208.843  -1.286   3.871
  713    HA   PHE  81           HA       PHE  81 210.343  -3.773   3.557
  714   1HB   PHE  81          HB2       PHE  81 208.802  -2.988   6.035
  715   2HB   PHE  81          HB1       PHE  81 209.476  -4.589   5.733
  716    HD1  PHE  81           HD1      PHE  81 211.831  -5.002   5.919
  717    HD2  PHE  81           HD2      PHE  81 210.259  -1.088   6.482
  718    HE1  PHE  81           HE1      PHE  81 213.985  -4.279   6.868
  719    HE2  PHE  81           HE2      PHE  81 212.413  -0.356   7.429
  720    HZ   PHE  81           HZ       PHE  81 214.283  -1.951   7.615
  721    H    VAL  82           HN       VAL  82 209.228  -4.756   2.004
  722    HA   VAL  82           HA       VAL  82 206.293  -4.841   2.236
  723    HB   VAL  82           HB       VAL  82 207.256  -3.755   0.152
  724   1HG1  VAL  82          HG11      VAL  82 209.132  -5.349  -0.129
  725   2HG1  VAL  82          HG12      VAL  82 208.158  -5.151  -1.586
  726   3HG1  VAL  82          HG13      VAL  82 207.965  -6.590  -0.586
  727   1HG2  VAL  82          HG21      VAL  82 205.423  -4.370  -1.027
  728   2HG2  VAL  82          HG22      VAL  82 204.992  -5.132   0.505
  729   3HG2  VAL  82          HG23      VAL  82 205.711  -6.095  -0.786
  730    H    ASN  83           HN       ASN  83 205.473  -6.752   2.787
  731    HA   ASN  83           HA       ASN  83 205.259  -8.998   3.131
  732   1HB   ASN  83          HB2       ASN  83 207.462  -9.348   1.082
  733   2HB   ASN  83          HB1       ASN  83 206.297 -10.559   1.602
  734   1HD2  ASN  83          HD21      ASN  83 205.972 -10.684  -0.753
  735   2HD2  ASN  83          HD22      ASN  83 204.823  -9.614  -1.475
  736    H    ASN  84           HN       ASN  84 207.378  -7.157   4.309
  737    HA   ASN  84           HA       ASN  84 208.633  -7.389   6.213
  738   1HB   ASN  84          HB2       ASN  84 207.687  -9.916   6.084
  739   2HB   ASN  84          HB1       ASN  84 209.394 -10.217   5.776
  740   1HD2  ASN  84          HD21      ASN  84 207.223 -10.256   8.121
  741   2HD2  ASN  84          HD22      ASN  84 208.196  -9.816   9.480
  742    H    VAL  85           HN       VAL  85 209.480  -7.461   3.112
  743    HA   VAL  85           HA       VAL  85 212.349  -7.670   3.713
  744    HB   VAL  85           HB       VAL  85 211.526  -9.391   2.188
  745   1HG1  VAL  85          HG11      VAL  85 211.244  -8.190  -0.255
  746   2HG1  VAL  85          HG12      VAL  85 210.368  -7.105   0.823
  747   3HG1  VAL  85          HG13      VAL  85 209.929  -8.810   0.744
  748   1HG2  VAL  85          HG21      VAL  85 213.325  -9.271   0.658
  749   2HG2  VAL  85          HG22      VAL  85 213.858  -8.449   2.124
  750   3HG2  VAL  85          HG23      VAL  85 213.341  -7.509   0.723
  751    H    ILE  86           HN       ILE  86 213.748  -6.351   2.446
  752    HA   ILE  86           HA       ILE  86 212.643  -3.678   2.057
  753    HB   ILE  86           HB       ILE  86 215.515  -4.597   2.137
  754   1HG1  ILE  86          HG12      ILE  86 213.573  -3.625   4.184
  755   2HG1  ILE  86          HG11      ILE  86 214.809  -4.870   4.315
  756   1HG2  ILE  86          HG21      ILE  86 214.770  -1.758   2.550
  757   2HG2  ILE  86          HG22      ILE  86 214.692  -2.370   0.899
  758   3HG2  ILE  86          HG23      ILE  86 216.204  -2.457   1.800
  759   1HD1  ILE  86          HD11      ILE  86 215.355  -1.921   4.205
  760   2HD1  ILE  86          HD12      ILE  86 216.526  -3.207   4.491
  761   3HD1  ILE  86          HD13      ILE  86 215.267  -2.881   5.679
  762    HA   PRO  87           HA       PRO  87 212.658  -4.611  -2.364
  763   1HB   PRO  87          HB2       PRO  87 211.605  -2.216  -3.140
  764   2HB   PRO  87          HB1       PRO  87 210.628  -3.559  -2.537
  765   1HG   PRO  87          HG2       PRO  87 211.604  -1.128  -1.092
  766   2HG   PRO  87          HG1       PRO  87 210.012  -1.906  -1.025
  767   1HD   PRO  87          HD2       PRO  87 211.868  -2.268   0.899
  768   2HD   PRO  87          HD1       PRO  87 210.737  -3.553   0.424
  769    HA   PRO  88           HA       PRO  88 216.430  -2.603  -3.527
  770   1HB   PRO  88          HB2       PRO  88 215.759  -3.098  -6.330
  771   2HB   PRO  88          HB1       PRO  88 217.023  -3.830  -5.340
  772   1HG   PRO  88          HG2       PRO  88 214.854  -5.212  -6.168
  773   2HG   PRO  88          HG1       PRO  88 215.657  -5.538  -4.623
  774   1HD   PRO  88          HD2       PRO  88 213.161  -3.975  -5.166
  775   2HD   PRO  88          HD1       PRO  88 213.499  -5.151  -3.877
  776    H    THR  89           HN       THR  89 216.856  -0.501  -3.712
  777    HA   THR  89           HA       THR  89 215.044   1.480  -4.332
  778    HB   THR  89           HB       THR  89 217.070   2.935  -4.757
  779    HG1  THR  89           HG1      THR  89 218.330   0.438  -4.421
  780   1HG2  THR  89          HG21      THR  89 217.940   2.810  -2.484
  781   2HG2  THR  89          HG22      THR  89 217.114   1.269  -2.254
  782   3HG2  THR  89          HG23      THR  89 216.177   2.741  -2.514
  783    H    SER  90           HN       SER  90 216.916  -0.487  -6.484
  784    HA   SER  90           HA       SER  90 216.592   1.211  -8.776
  785   1HB   SER  90          HB2       SER  90 218.521  -0.281  -8.611
  786   2HB   SER  90          HB1       SER  90 217.454  -1.684  -8.567
  787    HG   SER  90           HG       SER  90 218.254  -0.133 -10.702
  788    H    ALA  91           HN       ALA  91 214.886  -1.522  -7.377
  789    HA   ALA  91           HA       ALA  91 213.315  -2.226  -9.592
  790   1HB   ALA  91          HB1       ALA  91 212.616  -2.417  -6.663
  791   2HB   ALA  91          HB2       ALA  91 213.464  -3.636  -7.613
  792   3HB   ALA  91          HB3       ALA  91 211.781  -3.248  -7.977
  793    H    THR  92           HN       THR  92 211.143  -1.718 -10.109
  794    HA   THR  92           HA       THR  92 210.414   1.025  -9.371
  795    HB   THR  92           HB       THR  92 209.060   1.046 -11.402
  796    HG1  THR  92           HG1      THR  92 209.093  -0.763 -12.776
  797   1HG2  THR  92          HG21      THR  92 211.879   0.097 -11.761
  798   2HG2  THR  92          HG22      THR  92 211.244   1.738 -11.877
  799   3HG2  THR  92          HG23      THR  92 210.851   0.550 -13.121
  800    H    MET  93           HN       MET  93 208.368   1.562  -8.660
  801    HA   MET  93           HA       MET  93 207.059  -0.085  -6.904
  802   1HB   MET  93          HB2       MET  93 206.029   2.226  -8.537
  803   2HB   MET  93          HB1       MET  93 205.037   1.420  -7.331
  804   1HG   MET  93          HG2       MET  93 207.674   2.230  -6.373
  805   2HG   MET  93          HG1       MET  93 206.640   3.561  -6.884
  806   1HE   MET  93          HE1       MET  93 206.735   0.279  -5.046
  807   2HE   MET  93          HE2       MET  93 204.974   0.204  -5.122
  808   3HE   MET  93          HE3       MET  93 205.780   0.521  -3.585
  809    H    GLY  94           HN       GLY  94 206.672   0.118 -10.363
  810   1HA   GLY  94          HA2       GLY  94 204.255  -1.360 -10.554
  811   2HA   GLY  94          HA1       GLY  94 205.413  -1.099 -11.851
  812    H    GLN  95           HN       GLN  95 207.671  -2.291 -10.747
  813    HA   GLN  95           HA       GLN  95 207.239  -4.993 -11.386
  814   1HB   GLN  95          HB2       GLN  95 209.540  -3.694  -9.908
  815   2HB   GLN  95          HB1       GLN  95 209.550  -5.342 -10.520
  816   1HG   GLN  95          HG2       GLN  95 208.805  -3.620 -12.647
  817   2HG   GLN  95          HG1       GLN  95 210.236  -2.949 -11.866
  818   1HE2  GLN  95          HE21      GLN  95 209.262  -6.321 -12.253
  819   2HE2  GLN  95          HE22      GLN  95 210.641  -6.801 -13.177
  820    H    LEU  96           HN       LEU  96 207.457  -3.282  -8.321
  821    HA   LEU  96           HA       LEU  96 207.405  -5.563  -6.655
  822   1HB   LEU  96          HB2       LEU  96 206.383  -2.779  -6.071
  823   2HB   LEU  96          HB1       LEU  96 206.718  -4.017  -4.877
  824    HG   LEU  96           HG       LEU  96 208.727  -2.591  -6.614
  825   1HD1  LEU  96          HD11      LEU  96 208.258  -2.632  -3.638
  826   2HD1  LEU  96          HD12      LEU  96 207.978  -1.279  -4.734
  827   3HD1  LEU  96          HD13      LEU  96 209.621  -1.849  -4.439
  828   1HD2  LEU  96          HD21      LEU  96 210.051  -4.365  -6.421
  829   2HD2  LEU  96          HD22      LEU  96 208.859  -5.206  -5.428
  830   3HD2  LEU  96          HD23      LEU  96 210.037  -4.133  -4.672
  831    H    TYR  97           HN       TYR  97 204.849  -3.347  -7.723
  832    HA   TYR  97           HA       TYR  97 202.702  -4.672  -6.523
  833   1HB   TYR  97          HB2       TYR  97 202.405  -2.445  -7.373
  834   2HB   TYR  97          HB1       TYR  97 202.808  -2.965  -9.007
  835    HD1  TYR  97           HD1      TYR  97 200.198  -2.602  -6.552
  836    HD2  TYR  97           HD2      TYR  97 201.236  -4.517 -10.212
  837    HE1  TYR  97           HE1      TYR  97 197.815  -3.026  -7.002
  838    HE2  TYR  97           HE2      TYR  97 198.857  -4.939 -10.671
  839    HH   TYR  97           HH       TYR  97 196.710  -4.239 -10.067
  840    H    GLN  98           HN       GLN  98 204.363  -5.247  -9.555
  841    HA   GLN  98           HA       GLN  98 202.413  -7.077 -10.546
  842   1HB   GLN  98          HB2       GLN  98 205.287  -6.613 -11.327
  843   2HB   GLN  98          HB1       GLN  98 204.187  -7.686 -12.180
  844   1HG   GLN  98          HG2       GLN  98 202.895  -5.189 -11.935
  845   2HG   GLN  98          HG1       GLN  98 204.542  -4.883 -12.482
  846   1HE2  GLN  98          HE21      GLN  98 204.857  -4.957 -14.582
  847   2HE2  GLN  98          HE22      GLN  98 203.880  -5.797 -15.731
  848    H    GLU  99           HN       GLU  99 205.129  -7.315  -8.401
  849    HA   GLU  99           HA       GLU  99 204.831 -10.247  -8.375
  850   1HB   GLU  99          HB2       GLU  99 207.270  -8.530  -8.009
  851   2HB   GLU  99          HB1       GLU  99 207.230 -10.233  -7.563
  852   1HG   GLU  99          HG2       GLU  99 206.278 -10.309 -10.105
  853   2HG   GLU  99          HG1       GLU  99 207.423  -8.970 -10.190
  854    H    HIS 100           HN       HIS 100 203.576  -8.009  -6.646
  855    HA   HIS 100           HA       HIS 100 204.138  -9.368  -4.135
  856   1HB   HIS 100          HB2       HIS 100 204.398  -6.391  -4.479
  857   2HB   HIS 100          HB1       HIS 100 204.284  -7.188  -2.916
  858    HD1  HIS 100           HD1      HIS 100 206.549  -7.194  -5.979
  859    HD2  HIS 100           HD2      HIS 100 206.667  -7.988  -1.898
  860    HE1  HIS 100           HE1      HIS 100 208.965  -7.638  -5.447
  861    HE2  HIS 100           HE2      HIS 100 209.003  -8.186  -2.989
  862    H    HIS 101           HN       HIS 101 202.051  -7.310  -5.989
  863    HA   HIS 101           HA       HIS 101 200.062  -6.720  -4.183
  864   1HB   HIS 101          HB2       HIS 101 198.583  -6.415  -6.008
  865   2HB   HIS 101          HB1       HIS 101 200.187  -6.024  -6.622
  866    HD1  HIS 101           HD1      HIS 101 201.354  -8.334  -7.799
  867    HD2  HIS 101           HD2      HIS 101 197.213  -7.994  -7.707
  868    HE1  HIS 101           HE1      HIS 101 200.511  -9.902  -9.576
  869    HE2  HIS 101           HE2      HIS 101 198.008  -9.618  -9.557
  870    H    GLU 102           HN       GLU 102 199.096  -8.001  -2.791
  871    HA   GLU 102           HA       GLU 102 198.971 -10.814  -3.063
  872   1HB   GLU 102          HB2       GLU 102 197.635  -8.926  -1.126
  873   2HB   GLU 102          HB1       GLU 102 197.577 -10.680  -0.987
  874   1HG   GLU 102          HG2       GLU 102 200.286  -9.681  -1.306
  875   2HG   GLU 102          HG1       GLU 102 199.475  -9.007   0.106
  876    H    GLU 103           HN       GLU 103 197.883 -10.485  -5.290
  877    HA   GLU 103           HA       GLU 103 196.049 -10.581  -6.660
  878   1HB   GLU 103          HB2       GLU 103 196.254 -12.838  -5.614
  879   2HB   GLU 103          HB1       GLU 103 195.043 -12.354  -4.435
  880   1HG   GLU 103          HG2       GLU 103 193.334 -12.424  -5.948
  881   2HG   GLU 103          HG1       GLU 103 194.391 -12.093  -7.321
  882    H    ASP 104           HN       ASP 104 195.890  -8.400  -4.638
  883    HA   ASP 104           HA       ASP 104 192.953  -8.118  -4.596
  884   1HB   ASP 104          HB2       ASP 104 193.493  -6.450  -2.666
  885   2HB   ASP 104          HB1       ASP 104 193.478  -8.177  -2.324
  886    H    PHE 105           HN       PHE 105 195.121  -7.353  -6.564
  887    HA   PHE 105           HA       PHE 105 195.705  -5.612  -7.897
  888   1HB   PHE 105          HB2       PHE 105 192.897  -4.911  -7.089
  889   2HB   PHE 105          HB1       PHE 105 193.815  -3.876  -8.178
  890    HD1  PHE 105           HD1      PHE 105 191.472  -6.394  -8.088
  891    HD2  PHE 105           HD2      PHE 105 195.056  -5.312 -10.110
  892    HE1  PHE 105           HE1      PHE 105 190.833  -7.828  -9.981
  893    HE2  PHE 105           HE2      PHE 105 194.421  -6.740 -12.009
  894    HZ   PHE 105           HZ       PHE 105 192.307  -8.001 -11.946
  895    H    PHE 106           HN       PHE 106 196.229  -5.427  -4.924
  896    HA   PHE 106           HA       PHE 106 196.702  -2.536  -4.797
  897   1HB   PHE 106          HB2       PHE 106 195.473  -4.357  -2.878
  898   2HB   PHE 106          HB1       PHE 106 196.803  -3.441  -2.174
  899    HD1  PHE 106           HD1      PHE 106 195.628  -1.964  -0.769
  900    HD2  PHE 106           HD2      PHE 106 194.550  -2.345  -4.865
  901    HE1  PHE 106           HE1      PHE 106 194.157   0.000  -0.552
  902    HE2  PHE 106           HE2      PHE 106 193.073  -0.369  -4.657
  903    HZ   PHE 106           HZ       PHE 106 192.878   0.798  -2.499
  904    H    LEU 107           HN       LEU 107 198.363  -2.467  -2.613
  905    HA   LEU 107           HA       LEU 107 200.504  -4.321  -2.740
  906   1HB   LEU 107          HB2       LEU 107 200.753  -3.178  -4.918
  907   2HB   LEU 107          HB1       LEU 107 200.949  -1.652  -4.076
  908    HG   LEU 107           HG       LEU 107 203.115  -2.326  -4.751
  909   1HD1  LEU 107          HD11      LEU 107 203.010  -1.509  -2.444
  910   2HD1  LEU 107          HD12      LEU 107 204.334  -2.639  -2.703
  911   3HD1  LEU 107          HD13      LEU 107 202.878  -3.169  -1.869
  912   1HD2  LEU 107          HD21      LEU 107 202.120  -4.879  -4.708
  913   2HD2  LEU 107          HD22      LEU 107 203.252  -4.896  -3.355
  914   3HD2  LEU 107          HD23      LEU 107 203.811  -4.444  -4.965
  915    H    TYR 108           HN       TYR 108 200.141  -4.156  -0.465
  916    HA   TYR 108           HA       TYR 108 200.567  -1.587   0.809
  917   1HB   TYR 108          HB2       TYR 108 200.277  -2.872   2.958
  918   2HB   TYR 108          HB1       TYR 108 198.895  -2.907   1.875
  919    HD1  TYR 108           HD1      TYR 108 201.333  -4.860   3.656
  920    HD2  TYR 108           HD2      TYR 108 198.462  -4.967   0.523
  921    HE1  TYR 108           HE1      TYR 108 201.310  -7.316   3.775
  922    HE2  TYR 108           HE2      TYR 108 198.429  -7.426   0.629
  923    HH   TYR 108           HH       TYR 108 199.006  -9.189   2.623
  924    H    ILE 109           HN       ILE 109 202.303  -0.860   1.713
  925    HA   ILE 109           HA       ILE 109 204.676  -2.595   1.915
  926    HB   ILE 109           HB       ILE 109 204.490   0.257   0.954
  927   1HG1  ILE 109          HG12      ILE 109 204.872  -2.389  -0.394
  928   2HG1  ILE 109          HG11      ILE 109 203.785  -1.070  -0.806
  929   1HG2  ILE 109          HG21      ILE 109 206.893  -1.488   1.462
  930   2HG2  ILE 109          HG22      ILE 109 206.531   0.096   2.152
  931   3HG2  ILE 109          HG23      ILE 109 206.946  -0.047   0.447
  932   1HD1  ILE 109          HD11      ILE 109 205.381  -1.043  -2.484
  933   2HD1  ILE 109          HD12      ILE 109 206.707  -1.339  -1.357
  934   3HD1  ILE 109          HD13      ILE 109 205.908   0.234  -1.386
  935    H    ALA 110           HN       ALA 110 206.371  -1.601   3.379
  936    HA   ALA 110           HA       ALA 110 205.174   0.038   5.506
  937   1HB   ALA 110          HB1       ALA 110 206.699  -2.520   5.828
  938   2HB   ALA 110          HB2       ALA 110 205.134  -2.070   6.508
  939   3HB   ALA 110          HB3       ALA 110 206.610  -1.322   7.118
  940    H    TYR 111           HN       TYR 111 206.790   1.059   6.892
  941    HA   TYR 111           HA       TYR 111 209.442   1.370   5.716
  942   1HB   TYR 111          HB2       TYR 111 209.311   3.738   5.468
  943   2HB   TYR 111          HB1       TYR 111 207.916   3.062   4.639
  944    HD1  TYR 111           HD1      TYR 111 209.016   4.813   7.679
  945    HD2  TYR 111           HD2      TYR 111 205.716   3.599   5.321
  946    HE1  TYR 111           HE1      TYR 111 207.548   6.238   9.035
  947    HE2  TYR 111           HE2      TYR 111 204.219   5.026   6.644
  948    HH   TYR 111           HH       TYR 111 205.464   7.038   9.296
  949    H    SER 112           HN       SER 112 210.905   1.357   7.289
  950    HA   SER 112           HA       SER 112 210.105   2.255   9.988
  951   1HB   SER 112          HB2       SER 112 210.548  -0.319   9.437
  952   2HB   SER 112          HB1       SER 112 212.221   0.180   9.694
  953    HG   SER 112           HG       SER 112 211.814   0.547  11.756
  954    H    ASP 113           HN       ASP 113 212.070   2.700  11.381
  955    HA   ASP 113           HA       ASP 113 213.826   4.470   9.885
  956   1HB   ASP 113          HB2       ASP 113 212.664   5.282  11.922
  957   2HB   ASP 113          HB1       ASP 113 213.547   4.089  12.874
  958    H    GLU 114           HN       GLU 114 213.988   1.373  10.179
  959    HA   GLU 114           HA       GLU 114 216.897   1.316  10.526
  960   1HB   GLU 114          HB2       GLU 114 215.019  -0.697  11.778
  961   2HB   GLU 114          HB1       GLU 114 216.776  -0.752  11.828
  962   1HG   GLU 114          HG2       GLU 114 216.539   1.590  12.941
  963   2HG   GLU 114          HG1       GLU 114 214.894   1.050  13.275
  964    H    SER 115           HN       SER 115 217.728  -0.948   9.799
  965    HA   SER 115           HA       SER 115 216.673  -1.363   7.143
  966   1HB   SER 115          HB2       SER 115 218.599  -2.869   6.830
  967   2HB   SER 115          HB1       SER 115 219.098  -1.305   7.473
  968    HG   SER 115           HG       SER 115 220.099  -2.613   8.831
  969    H    VAL 116           HN       VAL 116 215.889  -2.643  10.106
  970    HA   VAL 116           HA       VAL 116 215.068  -5.208   8.937
  971    HB   VAL 116           HB       VAL 116 214.447  -5.154  11.712
  972   1HG1  VAL 116          HG11      VAL 116 216.388  -6.660   9.991
  973   2HG1  VAL 116          HG12      VAL 116 214.864  -7.205  10.692
  974   3HG1  VAL 116          HG13      VAL 116 216.272  -6.959  11.725
  975   1HG2  VAL 116          HG21      VAL 116 216.024  -3.454  12.177
  976   2HG2  VAL 116          HG22      VAL 116 217.223  -4.161  11.094
  977   3HG2  VAL 116          HG23      VAL 116 216.814  -4.972  12.606
  978    H    TYR 117           HN       TYR 117 212.912  -5.674   8.813
  979    HA   TYR 117           HA       TYR 117 211.048  -3.696   8.544
  980   1HB   TYR 117          HB2       TYR 117 210.391  -5.812   7.738
  981   2HB   TYR 117          HB1       TYR 117 210.680  -6.590   9.297
  982    HD1  TYR 117           HD1      TYR 117 208.705  -7.296  10.299
  983    HD2  TYR 117           HD2      TYR 117 208.745  -3.622   8.160
  984    HE1  TYR 117           HE1      TYR 117 206.377  -6.881  10.969
  985    HE2  TYR 117           HE2      TYR 117 206.420  -3.204   8.807
  986    HH   TYR 117           HH       TYR 117 204.877  -4.824  11.254
  987    H    GLY 118           HN       GLY 118 211.326  -2.172  10.213
  988   1HA   GLY 118          HA2       GLY 118 211.286  -1.449  12.468
  989   2HA   GLY 118          HA1       GLY 118 209.593  -1.697  12.074
  990    H    LEU 119           HN       LEU 119 212.403  -3.615  13.154
  991    HA   LEU 119           HA       LEU 119 210.876  -4.571  15.416
  992   1HB   LEU 119          HB2       LEU 119 211.392  -6.197  13.008
  993   2HB   LEU 119          HB1       LEU 119 211.703  -6.985  14.547
  994    HG   LEU 119           HG       LEU 119 209.138  -5.565  14.459
  995   1HD1  LEU 119          HD11      LEU 119 208.124  -6.539  12.725
  996   2HD1  LEU 119          HD12      LEU 119 208.875  -8.102  13.051
  997   3HD1  LEU 119          HD13      LEU 119 209.747  -6.882  12.123
  998   1HD2  LEU 119          HD21      LEU 119 209.696  -8.451  15.078
  999   2HD2  LEU 119          HD22      LEU 119 208.383  -7.432  15.666
 1000   3HD2  LEU 119          HD23      LEU 119 210.034  -7.151  16.221
  Start of MODEL    4
    1   1H    GLY   1          HT1       GLY   1 205.452 -15.469   6.249
    2   2H    GLY   1          HT2       GLY   1 204.573 -15.247   4.821
    3   3H    GLY   1          HT3       GLY   1 203.761 -15.557   6.273
    4   1HA   GLY   1          HA1       GLY   1 205.338 -13.125   5.631
    5   2HA   GLY   1          HA2       GLY   1 203.586 -13.224   5.705
    6    H    SER   2           HN       SER   2 205.628 -11.645   7.247
    7    HA   SER   2           HA       SER   2 204.541 -12.260   9.896
    8   1HB   SER   2          HB2       SER   2 207.347 -11.361   9.935
    9   2HB   SER   2          HB1       SER   2 206.539 -12.587  10.912
   10    HG   SER   2           HG       SER   2 206.920 -14.082   9.385
   11    H    MET   3           HN       MET   3 203.596 -10.289   8.229
   12    HA   MET   3           HA       MET   3 204.783  -7.813   9.256
   13   1HB   MET   3          HB2       MET   3 202.984  -8.356   6.902
   14   2HB   MET   3          HB1       MET   3 203.290  -6.730   7.496
   15   1HG   MET   3          HG2       MET   3 205.782  -7.358   7.217
   16   2HG   MET   3          HG1       MET   3 205.164  -8.637   6.173
   17   1HE   MET   3          HE1       MET   3 205.103  -4.598   6.659
   18   2HE   MET   3          HE2       MET   3 205.888  -4.358   5.100
   19   3HE   MET   3          HE3       MET   3 206.640  -5.393   6.315
   20    H    LYS   4           HN       LYS   4 203.548  -6.256  10.304
   21    HA   LYS   4           HA       LYS   4 200.941  -7.205  11.299
   22   1HB   LYS   4          HB2       LYS   4 202.973  -5.416  12.647
   23   2HB   LYS   4          HB1       LYS   4 201.391  -5.810  13.306
   24   1HG   LYS   4          HG2       LYS   4 202.955  -7.212  14.385
   25   2HG   LYS   4          HG1       LYS   4 202.076  -8.224  13.238
   26   1HD   LYS   4          HD2       LYS   4 203.902  -8.580  11.951
   27   2HD   LYS   4          HD1       LYS   4 204.534  -6.954  12.216
   28   1HE   LYS   4          HE2       LYS   4 204.687  -9.296  14.106
   29   2HE   LYS   4          HE1       LYS   4 206.022  -8.553  13.228
   30   1HZ   LYS   4          HZ1       LYS   4 205.013  -6.459  14.563
   31   2HZ   LYS   4          HZ2       LYS   4 206.292  -7.414  15.122
   32   3HZ   LYS   4          HZ3       LYS   4 204.718  -7.708  15.667
   33    H    PHE   5           HN       PHE   5 199.582  -6.231   9.852
   34    HA   PHE   5           HA       PHE   5 199.752  -3.301   9.607
   35   1HB   PHE   5          HB2       PHE   5 198.696  -5.425   7.751
   36   2HB   PHE   5          HB1       PHE   5 198.218  -3.740   7.576
   37    HD1  PHE   5           HD1      PHE   5 201.493  -5.324   8.387
   38    HD2  PHE   5           HD2      PHE   5 199.265  -2.891   5.707
   39    HE1  PHE   5           HE1      PHE   5 203.531  -4.877   7.102
   40    HE2  PHE   5           HE2      PHE   5 201.305  -2.439   4.414
   41    HZ   PHE   5           HZ       PHE   5 203.446  -3.435   5.110
   42    H    VAL   6           HN       VAL   6 197.595  -2.194   9.349
   43    HA   VAL   6           HA       VAL   6 195.484  -3.566  10.860
   44    HB   VAL   6           HB       VAL   6 196.709  -2.030  12.376
   45   1HG1  VAL   6          HG11      VAL   6 197.295  -0.339  10.655
   46   2HG1  VAL   6          HG12      VAL   6 196.593   0.349  12.118
   47   3HG1  VAL   6          HG13      VAL   6 195.613   0.190  10.662
   48   1HG2  VAL   6          HG21      VAL   6 194.557  -0.642  12.956
   49   2HG2  VAL   6          HG22      VAL   6 194.585  -2.394  13.155
   50   3HG2  VAL   6          HG23      VAL   6 193.824  -1.681  11.733
   51    H    TYR   7           HN       TYR   7 196.234  -0.779   8.773
   52    HA   TYR   7           HA       TYR   7 193.491  -0.327   8.097
   53   1HB   TYR   7          HB2       TYR   7 195.464   1.340   7.879
   54   2HB   TYR   7          HB1       TYR   7 195.801   0.520   6.358
   55    HD1  TYR   7           HD1      TYR   7 192.808   1.913   8.124
   56    HD2  TYR   7           HD2      TYR   7 194.974   1.551   4.480
   57    HE1  TYR   7           HE1      TYR   7 191.141   3.329   7.000
   58    HE2  TYR   7           HE2      TYR   7 193.314   2.967   3.346
   59    HH   TYR   7           HH       TYR   7 191.016   3.673   3.598
   60    H    LYS   8           HN       LYS   8 196.174  -1.359   5.974
   61    HA   LYS   8           HA       LYS   8 194.572  -2.497   3.995
   62   1HB   LYS   8          HB2       LYS   8 196.892  -2.075   3.521
   63   2HB   LYS   8          HB1       LYS   8 197.416  -3.101   4.843
   64   1HG   LYS   8          HG2       LYS   8 197.793  -4.517   3.119
   65   2HG   LYS   8          HG1       LYS   8 196.109  -4.935   3.435
   66   1HD   LYS   8          HD2       LYS   8 195.884  -2.804   1.723
   67   2HD   LYS   8          HD1       LYS   8 197.319  -3.631   1.116
   68   1HE   LYS   8          HE2       LYS   8 195.083  -5.406   1.785
   69   2HE   LYS   8          HE1       LYS   8 194.748  -4.275   0.474
   70   1HZ   LYS   8          HZ1       LYS   8 196.831  -5.056  -0.587
   71   2HZ   LYS   8          HZ2       LYS   8 195.649  -6.259  -0.452
   72   3HZ   LYS   8          HZ3       LYS   8 196.964  -6.244   0.612
   73    H    GLU   9           HN       GLU   9 195.512  -3.628   7.123
   74    HA   GLU   9           HA       GLU   9 194.895  -6.379   6.712
   75   1HB   GLU   9          HB2       GLU   9 195.852  -4.702   8.888
   76   2HB   GLU   9          HB1       GLU   9 194.730  -5.941   9.430
   77   1HG   GLU   9          HG2       GLU   9 196.717  -6.970   7.581
   78   2HG   GLU   9          HG1       GLU   9 197.433  -6.249   9.021
   79    H    GLU  10           HN       GLU  10 193.360  -3.891   8.727
   80    HA   GLU  10           HA       GLU  10 191.006  -5.287   9.253
   81   1HB   GLU  10          HB2       GLU  10 191.554  -2.319   9.163
   82   2HB   GLU  10          HB1       GLU  10 190.039  -3.005   9.731
   83   1HG   GLU  10          HG2       GLU  10 192.569  -3.975  10.947
   84   2HG   GLU  10          HG1       GLU  10 191.978  -2.373  11.387
   85    H    HIS  11           HN       HIS  11 191.711  -2.879   6.710
   86    HA   HIS  11           HA       HIS  11 189.164  -2.802   5.563
   87   1HB   HIS  11          HB2       HIS  11 191.900  -2.154   4.665
   88   2HB   HIS  11          HB1       HIS  11 190.758  -2.508   3.376
   89    HD1  HIS  11           HD1      HIS  11 190.792  -0.325   6.500
   90    HD2  HIS  11           HD2      HIS  11 189.435  -0.302   2.574
   91    HE1  HIS  11           HE1      HIS  11 189.721   1.927   6.171
   92    HE2  HIS  11           HE2      HIS  11 188.832   1.885   3.816
   93    HA   PRO  12           HA       PRO  12 188.704  -7.126   4.424
   94   1HB   PRO  12          HB2       PRO  12 186.600  -5.825   2.757
   95   2HB   PRO  12          HB1       PRO  12 186.493  -7.258   3.786
   96   1HG   PRO  12          HG2       PRO  12 185.490  -4.931   4.604
   97   2HG   PRO  12          HG1       PRO  12 186.325  -6.008   5.738
   98   1HD   PRO  12          HD2       PRO  12 187.256  -3.470   4.500
   99   2HD   PRO  12          HD1       PRO  12 187.623  -4.153   6.096
  100    H    PHE  13           HN       PHE  13 188.395  -8.265   2.272
  101    HA   PHE  13           HA       PHE  13 190.392  -7.287   0.458
  102   1HB   PHE  13          HB2       PHE  13 190.023  -9.725   1.092
  103   2HB   PHE  13          HB1       PHE  13 188.605  -9.684   0.051
  104    HD1  PHE  13           HD1      PHE  13 189.062  -8.800  -2.387
  105    HD2  PHE  13           HD2      PHE  13 192.024 -10.409   0.207
  106    HE1  PHE  13           HE1      PHE  13 190.469  -9.340  -4.332
  107    HE2  PHE  13           HE2      PHE  13 193.435 -10.952  -1.732
  108    HZ   PHE  13           HZ       PHE  13 192.655 -10.421  -4.004
  109    H    GLU  14           HN       GLU  14 186.932  -7.344   0.629
  110    HA   GLU  14           HA       GLU  14 186.356  -6.908  -2.104
  111   1HB   GLU  14          HB2       GLU  14 184.799  -6.033   0.337
  112   2HB   GLU  14          HB1       GLU  14 184.170  -6.127  -1.303
  113   1HG   GLU  14          HG2       GLU  14 185.305  -8.647  -0.579
  114   2HG   GLU  14          HG1       GLU  14 184.179  -8.125   0.672
  115    H    LYS  15           HN       LYS  15 187.805  -4.951   0.249
  116    HA   LYS  15           HA       LYS  15 186.969  -2.424  -0.886
  117   1HB   LYS  15          HB2       LYS  15 188.747  -3.208   1.393
  118   2HB   LYS  15          HB1       LYS  15 188.647  -1.555   0.821
  119   1HG   LYS  15          HG2       LYS  15 187.222  -2.147   2.804
  120   2HG   LYS  15          HG1       LYS  15 186.406  -1.347   1.464
  121   1HD   LYS  15          HD2       LYS  15 186.213  -4.108   0.976
  122   2HD   LYS  15          HD1       LYS  15 185.856  -3.880   2.686
  123   1HE   LYS  15          HE2       LYS  15 184.443  -1.854   1.624
  124   2HE   LYS  15          HE1       LYS  15 184.373  -3.007   0.294
  125   1HZ   LYS  15          HZ1       LYS  15 182.631  -3.806   1.435
  126   2HZ   LYS  15          HZ2       LYS  15 183.119  -3.117   2.900
  127   3HZ   LYS  15          HZ3       LYS  15 183.802  -4.575   2.383
  128    H    ARG  16           HN       ARG  16 190.178  -3.783  -0.155
  129    HA   ARG  16           HA       ARG  16 191.598  -2.089  -1.852
  130   1HB   ARG  16          HB2       ARG  16 193.068  -4.465  -1.888
  131   2HB   ARG  16          HB1       ARG  16 193.281  -3.110  -0.795
  132   1HG   ARG  16          HG2       ARG  16 191.275  -5.211  -0.127
  133   2HG   ARG  16          HG1       ARG  16 192.989  -5.539   0.106
  134   1HD   ARG  16          HD2       ARG  16 191.645  -4.568   2.071
  135   2HD   ARG  16          HD1       ARG  16 193.227  -3.886   1.712
  136    HE   ARG  16           HE       ARG  16 190.631  -2.614   1.284
  137   1HH1  ARG  16          HH11      ARG  16 194.110  -2.441   0.999
  138   2HH1  ARG  16          HH12      ARG  16 194.127  -0.723   0.801
  139   1HH2  ARG  16          HH21      ARG  16 190.662  -0.360   1.010
  140   2HH2  ARG  16          HH22      ARG  16 192.174   0.457   0.801
  141    H    ARG  17           HN       ARG  17 189.997  -5.147  -2.495
  142    HA   ARG  17           HA       ARG  17 190.995  -5.494  -5.131
  143   1HB   ARG  17          HB2       ARG  17 189.902  -7.282  -3.738
  144   2HB   ARG  17          HB1       ARG  17 188.361  -6.488  -4.033
  145   1HG   ARG  17          HG2       ARG  17 188.699  -6.817  -6.458
  146   2HG   ARG  17          HG1       ARG  17 190.180  -7.708  -6.098
  147   1HD   ARG  17          HD2       ARG  17 189.034  -9.564  -5.673
  148   2HD   ARG  17          HD1       ARG  17 187.987  -8.719  -4.535
  149    HE   ARG  17           HE       ARG  17 187.155  -8.064  -7.116
  150   1HH1  ARG  17          HH11      ARG  17 187.306 -10.860  -5.034
  151   2HH1  ARG  17          HH12      ARG  17 185.935 -11.629  -5.760
  152   1HH2  ARG  17          HH21      ARG  17 185.350  -9.074  -8.070
  153   2HH2  ARG  17          HH22      ARG  17 184.824 -10.616  -7.483
  154    H    SER  18           HN       SER  18 187.881  -4.304  -3.899
  155    HA   SER  18           HA       SER  18 186.748  -3.519  -6.280
  156   1HB   SER  18          HB2       SER  18 185.348  -3.523  -4.369
  157   2HB   SER  18          HB1       SER  18 186.446  -2.480  -3.465
  158    HG   SER  18           HG       SER  18 185.782  -0.753  -4.628
  159    H    GLU  19           HN       GLU  19 188.482  -1.455  -3.957
  160    HA   GLU  19           HA       GLU  19 188.593   0.835  -5.555
  161   1HB   GLU  19          HB2       GLU  19 189.565  -0.008  -3.022
  162   2HB   GLU  19          HB1       GLU  19 190.902   0.722  -3.898
  163   1HG   GLU  19          HG2       GLU  19 189.898   2.779  -3.995
  164   2HG   GLU  19          HG1       GLU  19 188.277   2.113  -3.805
  165    H    GLY  20           HN       GLY  20 191.002  -1.725  -5.042
  166   1HA   GLY  20          HA2       GLY  20 193.009  -0.704  -6.686
  167   2HA   GLY  20          HA1       GLY  20 192.787  -2.405  -6.309
  168    H    GLU  21           HN       GLU  21 190.596  -3.192  -7.533
  169    HA   GLU  21           HA       GLU  21 191.281  -3.541 -10.165
  170   1HB   GLU  21          HB2       GLU  21 189.729  -5.042  -9.318
  171   2HB   GLU  21          HB1       GLU  21 188.691  -3.772  -8.686
  172   1HG   GLU  21          HG2       GLU  21 187.610  -3.497 -10.635
  173   2HG   GLU  21          HG1       GLU  21 189.047  -3.824 -11.603
  174    H    LYS  22           HN       LYS  22 189.710  -0.810  -8.718
  175    HA   LYS  22           HA       LYS  22 188.847   0.214 -11.303
  176   1HB   LYS  22          HB2       LYS  22 187.221   0.781  -9.785
  177   2HB   LYS  22          HB1       LYS  22 188.361   0.940  -8.458
  178   1HG   LYS  22          HG2       LYS  22 188.423   2.940 -10.665
  179   2HG   LYS  22          HG1       LYS  22 187.148   3.033  -9.449
  180   1HD   LYS  22          HD2       LYS  22 189.357   2.681  -7.895
  181   2HD   LYS  22          HD1       LYS  22 190.017   3.624  -9.232
  182   1HE   LYS  22          HE2       LYS  22 188.180   5.265  -8.904
  183   2HE   LYS  22          HE1       LYS  22 187.670   4.352  -7.485
  184   1HZ   LYS  22          HZ1       LYS  22 190.460   5.232  -7.640
  185   2HZ   LYS  22          HZ2       LYS  22 189.466   5.034  -6.286
  186   3HZ   LYS  22          HZ3       LYS  22 189.279   6.390  -7.280
  187    H    ILE  23           HN       ILE  23 191.069   1.049  -8.692
  188    HA   ILE  23           HA       ILE  23 192.173   3.368  -9.807
  189    HB   ILE  23           HB       ILE  23 193.240   1.318  -7.879
  190   1HG1  ILE  23          HG12      ILE  23 192.564   4.173  -7.275
  191   2HG1  ILE  23          HG11      ILE  23 191.283   2.976  -7.420
  192   1HG2  ILE  23          HG21      ILE  23 195.087   2.511  -9.145
  193   2HG2  ILE  23          HG22      ILE  23 195.122   2.652  -7.390
  194   3HG2  ILE  23          HG23      ILE  23 194.526   3.991  -8.367
  195   1HD1  ILE  23          HD11      ILE  23 193.223   1.856  -5.741
  196   2HD1  ILE  23          HD12      ILE  23 191.618   2.443  -5.310
  197   3HD1  ILE  23          HD13      ILE  23 193.007   3.526  -5.221
  198    H    ARG  24           HN       ARG  24 192.620   0.027 -10.534
  199    HA   ARG  24           HA       ARG  24 195.114   0.398 -11.958
  200   1HB   ARG  24          HB2       ARG  24 193.283  -1.994 -11.694
  201   2HB   ARG  24          HB1       ARG  24 194.864  -2.015 -12.470
  202   1HG   ARG  24          HG2       ARG  24 194.418  -1.275  -9.590
  203   2HG   ARG  24          HG1       ARG  24 194.831  -2.898 -10.142
  204   1HD   ARG  24          HD2       ARG  24 196.488  -0.436 -10.668
  205   2HD   ARG  24          HD1       ARG  24 196.773  -1.568  -9.347
  206    HE   ARG  24           HE       ARG  24 196.785  -3.163 -11.526
  207   1HH1  ARG  24          HH11      ARG  24 198.476  -0.215 -10.731
  208   2HH1  ARG  24          HH12      ARG  24 199.866  -0.609 -11.686
  209   1HH2  ARG  24          HH21      ARG  24 198.612  -3.682 -12.780
  210   2HH2  ARG  24          HH22      ARG  24 199.944  -2.577 -12.849
  211    H    LYS  25           HN       LYS  25 191.702  -0.045 -12.679
  212    HA   LYS  25           HA       LYS  25 192.052  -0.394 -15.484
  213   1HB   LYS  25          HB2       LYS  25 189.657   0.299 -13.801
  214   2HB   LYS  25          HB1       LYS  25 189.577   0.002 -15.534
  215   1HG   LYS  25          HG2       LYS  25 190.297  -2.253 -15.256
  216   2HG   LYS  25          HG1       LYS  25 190.658  -1.981 -13.550
  217   1HD   LYS  25          HD2       LYS  25 188.566  -3.153 -13.709
  218   2HD   LYS  25          HD1       LYS  25 188.238  -1.499 -13.187
  219   1HE   LYS  25          HE2       LYS  25 186.865  -1.229 -14.909
  220   2HE   LYS  25          HE1       LYS  25 188.200  -1.534 -16.020
  221   1HZ   LYS  25          HZ1       LYS  25 187.719  -3.860 -15.982
  222   2HZ   LYS  25          HZ2       LYS  25 186.282  -3.038 -16.326
  223   3HZ   LYS  25          HZ3       LYS  25 186.546  -3.664 -14.778
  224    H    LYS  26           HN       LYS  26 191.145   2.380 -13.454
  225    HA   LYS  26           HA       LYS  26 190.879   4.089 -15.731
  226   1HB   LYS  26          HB2       LYS  26 189.752   4.234 -13.360
  227   2HB   LYS  26          HB1       LYS  26 191.154   5.243 -13.024
  228   1HG   LYS  26          HG2       LYS  26 190.335   6.205 -15.432
  229   2HG   LYS  26          HG1       LYS  26 188.800   5.777 -14.671
  230   1HD   LYS  26          HD2       LYS  26 190.934   7.591 -13.568
  231   2HD   LYS  26          HD1       LYS  26 189.347   8.073 -14.165
  232   1HE   LYS  26          HE2       LYS  26 188.344   6.630 -12.369
  233   2HE   LYS  26          HE1       LYS  26 189.969   6.441 -11.711
  234   1HZ   LYS  26          HZ1       LYS  26 189.982   8.528 -10.909
  235   2HZ   LYS  26          HZ2       LYS  26 188.300   8.365 -10.963
  236   3HZ   LYS  26          HZ3       LYS  26 189.110   9.170 -12.209
  237    H    TYR  27           HN       TYR  27 193.318   3.448 -13.300
  238    HA   TYR  27           HA       TYR  27 195.099   5.289 -14.757
  239   1HB   TYR  27          HB2       TYR  27 195.939   4.399 -12.060
  240   2HB   TYR  27          HB1       TYR  27 196.122   5.964 -12.837
  241    HD1  TYR  27           HD1      TYR  27 193.454   6.887 -13.344
  242    HD2  TYR  27           HD2      TYR  27 194.922   4.647 -10.041
  243    HE1  TYR  27           HE1      TYR  27 191.656   7.797 -11.927
  244    HE2  TYR  27           HE2      TYR  27 193.122   5.539  -8.622
  245    HH   TYR  27           HH       TYR  27 191.455   8.145  -9.197
  246    HA   PRO  28           HA       PRO  28 196.823   1.157 -15.624
  247   1HB   PRO  28          HB2       PRO  28 197.827   2.362 -18.072
  248   2HB   PRO  28          HB1       PRO  28 196.639   1.072 -17.878
  249   1HG   PRO  28          HG2       PRO  28 196.000   3.557 -18.785
  250   2HG   PRO  28          HG1       PRO  28 194.865   2.528 -17.892
  251   1HD   PRO  28          HD2       PRO  28 196.518   4.824 -16.909
  252   2HD   PRO  28          HD1       PRO  28 194.828   4.412 -16.543
  253    H    ASP  29           HN       ASP  29 198.264   4.295 -15.425
  254    HA   ASP  29           HA       ASP  29 200.962   3.140 -15.444
  255   1HB   ASP  29          HB2       ASP  29 201.755   5.463 -15.619
  256   2HB   ASP  29          HB1       ASP  29 200.636   5.056 -16.916
  257    H    ARG  30           HN       ARG  30 198.573   3.958 -13.266
  258    HA   ARG  30           HA       ARG  30 200.484   4.701 -11.163
  259   1HB   ARG  30          HB2       ARG  30 197.712   5.367 -11.735
  260   2HB   ARG  30          HB1       ARG  30 197.921   4.818 -10.080
  261   1HG   ARG  30          HG2       ARG  30 199.962   6.720 -10.882
  262   2HG   ARG  30          HG1       ARG  30 198.328   7.370 -11.033
  263   1HD   ARG  30          HD2       ARG  30 198.288   6.056  -8.608
  264   2HD   ARG  30          HD1       ARG  30 199.889   6.791  -8.656
  265    HE   ARG  30           HE       ARG  30 197.438   8.135  -8.246
  266   1HH1  ARG  30          HH11      ARG  30 200.506   8.492  -9.869
  267   2HH1  ARG  30          HH12      ARG  30 200.476  10.223  -9.814
  268   1HH2  ARG  30          HH21      ARG  30 197.396  10.412  -8.174
  269   2HH2  ARG  30          HH22      ARG  30 198.711  11.312  -8.851
  270    H    VAL  31           HN       VAL  31 200.205   3.700  -9.025
  271    HA   VAL  31           HA       VAL  31 198.988   1.037  -9.101
  272    HB   VAL  31           HB       VAL  31 200.901  -0.011  -8.049
  273   1HG1  VAL  31          HG11      VAL  31 200.785   0.866 -10.700
  274   2HG1  VAL  31          HG12      VAL  31 201.717  -0.485 -10.056
  275   3HG1  VAL  31          HG13      VAL  31 202.456   1.112 -10.192
  276   1HG2  VAL  31          HG21      VAL  31 201.770   2.722  -7.656
  277   2HG2  VAL  31          HG22      VAL  31 203.034   1.743  -8.399
  278   3HG2  VAL  31          HG23      VAL  31 202.315   1.239  -6.869
  279    HA   PRO  32           HA       PRO  32 197.478   2.701  -5.205
  280   1HB   PRO  32          HB2       PRO  32 196.045   0.494  -4.488
  281   2HB   PRO  32          HB1       PRO  32 195.454   1.702  -5.633
  282   1HG   PRO  32          HG2       PRO  32 196.714  -0.959  -6.164
  283   2HG   PRO  32          HG1       PRO  32 195.326  -0.199  -6.964
  284   1HD   PRO  32          HD2       PRO  32 197.793  -0.215  -8.065
  285   2HD   PRO  32          HD1       PRO  32 196.662   1.134  -8.296
  286    H    VAL  33           HN       VAL  33 199.120   2.798  -3.768
  287    HA   VAL  33           HA       VAL  33 200.261   0.277  -2.805
  288    HB   VAL  33           HB       VAL  33 201.389   3.066  -2.625
  289   1HG1  VAL  33          HG11      VAL  33 202.523   2.196  -0.891
  290   2HG1  VAL  33          HG12      VAL  33 203.468   1.388  -2.141
  291   3HG1  VAL  33          HG13      VAL  33 202.148   0.534  -1.342
  292   1HG2  VAL  33          HG21      VAL  33 201.381   2.179  -4.895
  293   2HG2  VAL  33          HG22      VAL  33 202.196   0.710  -4.340
  294   3HG2  VAL  33          HG23      VAL  33 203.024   2.270  -4.260
  295    H    ILE  34           HN       ILE  34 200.494  -0.159  -0.627
  296    HA   ILE  34           HA       ILE  34 199.041   1.615   1.212
  297    HB   ILE  34           HB       ILE  34 199.080  -1.408   1.366
  298   1HG1  ILE  34          HG12      ILE  34 197.614  -0.715  -0.422
  299   2HG1  ILE  34          HG11      ILE  34 196.611  -1.138   0.963
  300   1HG2  ILE  34          HG21      ILE  34 198.642   0.599   3.335
  301   2HG2  ILE  34          HG22      ILE  34 198.537  -1.151   3.499
  302   3HG2  ILE  34          HG23      ILE  34 197.113  -0.223   3.023
  303   1HD1  ILE  34          HD11      ILE  34 196.861   1.371  -0.450
  304   2HD1  ILE  34          HD12      ILE  34 197.085   1.561   1.290
  305   3HD1  ILE  34          HD13      ILE  34 195.610   0.819   0.666
  306    H    VAL  35           HN       VAL  35 201.204   2.509   1.510
  307    HA   VAL  35           HA       VAL  35 203.344   1.036   2.572
  308    HB   VAL  35           HB       VAL  35 202.687   3.960   2.955
  309   1HG1  VAL  35          HG11      VAL  35 205.248   4.048   3.223
  310   2HG1  VAL  35          HG12      VAL  35 205.114   2.329   3.598
  311   3HG1  VAL  35          HG13      VAL  35 204.272   3.519   4.593
  312   1HG2  VAL  35          HG21      VAL  35 204.026   2.399   0.804
  313   2HG2  VAL  35          HG22      VAL  35 204.627   4.015   1.174
  314   3HG2  VAL  35          HG23      VAL  35 202.948   3.789   0.687
  315    H    GLU  36           HN       GLU  36 204.163   1.016   4.768
  316    HA   GLU  36           HA       GLU  36 202.247   1.589   6.890
  317   1HB   GLU  36          HB2       GLU  36 202.426  -0.965   5.803
  318   2HB   GLU  36          HB1       GLU  36 203.407  -1.061   7.258
  319   1HG   GLU  36          HG2       GLU  36 201.046   0.317   7.946
  320   2HG   GLU  36          HG1       GLU  36 200.569  -1.081   6.986
  321    H    LYS  37           HN       LYS  37 203.201   1.388   9.056
  322    HA   LYS  37           HA       LYS  37 206.074   1.965   8.951
  323   1HB   LYS  37          HB2       LYS  37 204.295   3.568   9.992
  324   2HB   LYS  37          HB1       LYS  37 204.335   2.456  11.354
  325   1HG   LYS  37          HG2       LYS  37 207.016   3.069  10.696
  326   2HG   LYS  37          HG1       LYS  37 206.117   4.585  10.728
  327   1HD   LYS  37          HD2       LYS  37 206.941   4.189  12.933
  328   2HD   LYS  37          HD1       LYS  37 205.201   3.898  12.955
  329   1HE   LYS  37          HE2       LYS  37 205.444   1.628  13.177
  330   2HE   LYS  37          HE1       LYS  37 207.036   1.623  12.421
  331   1HZ   LYS  37          HZ1       LYS  37 207.697   1.363  14.545
  332   2HZ   LYS  37          HZ2       LYS  37 206.304   2.065  15.198
  333   3HZ   LYS  37          HZ3       LYS  37 207.543   3.048  14.601
  334    H    ALA  38           HN       ALA  38 206.894  -0.079   8.942
  335    HA   ALA  38           HA       ALA  38 206.279  -2.384  10.120
  336   1HB   ALA  38          HB1       ALA  38 209.074  -1.301  10.317
  337   2HB   ALA  38          HB2       ALA  38 208.345  -1.836   8.798
  338   3HB   ALA  38          HB3       ALA  38 208.564  -2.980  10.122
  339    HA   PRO  39           HA       PRO  39 206.019  -2.130  14.515
  340   1HB   PRO  39          HB2       PRO  39 207.045  -4.616  15.120
  341   2HB   PRO  39          HB1       PRO  39 205.372  -4.315  14.628
  342   1HG   PRO  39          HG2       PRO  39 207.690  -5.254  13.009
  343   2HG   PRO  39          HG1       PRO  39 206.002  -5.781  12.955
  344   1HD   PRO  39          HD2       PRO  39 207.032  -4.132  11.118
  345   2HD   PRO  39          HD1       PRO  39 205.354  -3.970  11.678
  346    H    LYS  40           HN       LYS  40 207.323  -1.725  16.292
  347    HA   LYS  40           HA       LYS  40 209.190  -1.249  17.487
  348   1HB   LYS  40          HB2       LYS  40 210.406  -3.257  15.599
  349   2HB   LYS  40          HB1       LYS  40 211.305  -2.505  16.908
  350   1HG   LYS  40          HG2       LYS  40 210.617  -4.509  17.829
  351   2HG   LYS  40          HG1       LYS  40 209.405  -3.369  18.415
  352   1HD   LYS  40          HD2       LYS  40 207.751  -4.232  17.088
  353   2HD   LYS  40          HD1       LYS  40 208.879  -4.786  15.849
  354   1HE   LYS  40          HE2       LYS  40 208.239  -6.783  16.785
  355   2HE   LYS  40          HE1       LYS  40 209.679  -6.413  17.734
  356   1HZ   LYS  40          HZ1       LYS  40 206.873  -5.892  18.554
  357   2HZ   LYS  40          HZ2       LYS  40 208.243  -5.496  19.461
  358   3HZ   LYS  40          HZ3       LYS  40 207.872  -7.117  19.154
  359    H    ALA  41           HN       ALA  41 208.996  -0.495  14.167
  360    HA   ALA  41           HA       ALA  41 211.377   0.689  13.535
  361   1HB   ALA  41          HB1       ALA  41 208.798   2.045  12.861
  362   2HB   ALA  41          HB2       ALA  41 209.224   0.489  12.137
  363   3HB   ALA  41          HB3       ALA  41 210.264   1.895  11.895
  364    H    ARG  42           HN       ARG  42 212.397   2.533  14.084
  365    HA   ARG  42           HA       ARG  42 211.418   3.958  16.418
  366   1HB   ARG  42          HB2       ARG  42 214.063   4.436  15.062
  367   2HB   ARG  42          HB1       ARG  42 213.624   4.744  16.737
  368   1HG   ARG  42          HG2       ARG  42 213.674   2.448  17.276
  369   2HG   ARG  42          HG1       ARG  42 213.729   1.977  15.576
  370   1HD   ARG  42          HD2       ARG  42 215.945   1.972  15.665
  371   2HD   ARG  42          HD1       ARG  42 215.925   3.695  16.037
  372    HE   ARG  42           HE       ARG  42 215.463   2.025  18.326
  373   1HH1  ARG  42          HH11      ARG  42 217.907   3.485  16.307
  374   2HH1  ARG  42          HH12      ARG  42 219.119   3.466  17.544
  375   1HH2  ARG  42          HH21      ARG  42 217.055   1.998  19.954
  376   2HH2  ARG  42          HH22      ARG  42 218.636   2.621  19.615
  377    H    ILE  43           HN       ILE  43 210.070   4.356  14.029
  378    HA   ILE  43           HA       ILE  43 210.601   7.207  13.504
  379    HB   ILE  43           HB       ILE  43 209.390   6.595  11.268
  380   1HG1  ILE  43          HG12      ILE  43 210.697   3.976  12.011
  381   2HG1  ILE  43          HG11      ILE  43 208.960   4.256  11.940
  382   1HG2  ILE  43          HG21      ILE  43 212.268   6.201  11.977
  383   2HG2  ILE  43          HG22      ILE  43 211.507   7.536  11.113
  384   3HG2  ILE  43          HG23      ILE  43 211.703   5.972  10.322
  385   1HD1  ILE  43          HD11      ILE  43 209.757   5.072   9.479
  386   2HD1  ILE  43          HD12      ILE  43 209.125   3.470   9.877
  387   3HD1  ILE  43          HD13      ILE  43 210.868   3.742   9.808
  388    H    GLY  44           HN       GLY  44 208.635   8.303  12.575
  389   1HA   GLY  44          HA2       GLY  44 206.480   8.040  14.414
  390   2HA   GLY  44          HA1       GLY  44 206.527   9.107  13.019
  391    H    ASP  45           HN       ASP  45 204.439   7.241  14.180
  392    HA   ASP  45           HA       ASP  45 204.062   5.216  12.171
  393   1HB   ASP  45          HB2       ASP  45 202.104   6.221  14.248
  394   2HB   ASP  45          HB1       ASP  45 201.987   4.718  13.336
  395    H    LEU  46           HN       LEU  46 202.620   5.194  10.493
  396    HA   LEU  46           HA       LEU  46 201.630   7.820   9.669
  397   1HB   LEU  46          HB2       LEU  46 202.511   5.369   8.267
  398   2HB   LEU  46          HB1       LEU  46 201.198   6.252   7.516
  399    HG   LEU  46           HG       LEU  46 204.011   7.179   8.023
  400   1HD1  LEU  46          HD11      LEU  46 203.361   7.839   5.484
  401   2HD1  LEU  46          HD12      LEU  46 202.384   6.386   5.708
  402   3HD1  LEU  46          HD13      LEU  46 204.131   6.323   5.950
  403   1HD2  LEU  46          HD21      LEU  46 201.593   8.840   7.348
  404   2HD2  LEU  46          HD22      LEU  46 203.252   9.369   7.076
  405   3HD2  LEU  46          HD23      LEU  46 202.695   9.035   8.712
  406    H    ASP  47           HN       ASP  47 199.522   8.192   9.068
  407    HA   ASP  47           HA       ASP  47 197.589   6.093   9.805
  408   1HB   ASP  47          HB2       ASP  47 196.037   7.924  10.424
  409   2HB   ASP  47          HB1       ASP  47 197.502   7.929  11.400
  410    H    LYS  48           HN       LYS  48 198.883   6.838   7.194
  411    HA   LYS  48           HA       LYS  48 196.476   7.545   5.656
  412   1HB   LYS  48          HB2       LYS  48 198.308   9.083   5.284
  413   2HB   LYS  48          HB1       LYS  48 199.412   7.755   4.961
  414   1HG   LYS  48          HG2       LYS  48 198.104   7.194   2.950
  415   2HG   LYS  48          HG1       LYS  48 197.070   8.590   3.263
  416   1HD   LYS  48          HD2       LYS  48 198.940  10.092   3.004
  417   2HD   LYS  48          HD1       LYS  48 200.057   8.734   2.851
  418   1HE   LYS  48          HE2       LYS  48 199.485   8.334   0.700
  419   2HE   LYS  48          HE1       LYS  48 197.796   8.767   0.957
  420   1HZ   LYS  48          HZ1       LYS  48 199.070  10.304  -0.512
  421   2HZ   LYS  48          HZ2       LYS  48 199.989  10.760   0.833
  422   3HZ   LYS  48          HZ3       LYS  48 198.325  11.058   0.807
  423    H    LYS  49           HN       LYS  49 199.382   5.509   5.450
  424    HA   LYS  49           HA       LYS  49 199.744   3.419   4.685
  425   1HB   LYS  49          HB2       LYS  49 196.773   3.278   5.109
  426   2HB   LYS  49          HB1       LYS  49 197.631   1.927   4.376
  427   1HG   LYS  49          HG2       LYS  49 198.861   2.931   6.835
  428   2HG   LYS  49          HG1       LYS  49 197.233   2.282   7.045
  429   1HD   LYS  49          HD2       LYS  49 198.378   0.411   5.418
  430   2HD   LYS  49          HD1       LYS  49 199.746   0.908   6.417
  431   1HE   LYS  49          HE2       LYS  49 198.773   0.149   8.359
  432   2HE   LYS  49          HE1       LYS  49 197.139   0.317   7.730
  433   1HZ   LYS  49          HZ1       LYS  49 198.172  -1.554   6.112
  434   2HZ   LYS  49          HZ2       LYS  49 197.256  -1.883   7.492
  435   3HZ   LYS  49          HZ3       LYS  49 198.943  -1.920   7.574
  436    H    LYS  50           HN       LYS  50 196.762   4.515   3.035
  437    HA   LYS  50           HA       LYS  50 197.430   3.309   0.576
  438   1HB   LYS  50          HB2       LYS  50 195.131   3.909   1.214
  439   2HB   LYS  50          HB1       LYS  50 195.551   5.613   1.113
  440   1HG   LYS  50          HG2       LYS  50 194.798   5.512  -0.976
  441   2HG   LYS  50          HG1       LYS  50 196.297   4.662  -1.350
  442   1HD   LYS  50          HD2       LYS  50 194.516   3.348  -2.220
  443   2HD   LYS  50          HD1       LYS  50 195.108   2.522  -0.778
  444   1HE   LYS  50          HE2       LYS  50 192.751   2.454  -0.646
  445   2HE   LYS  50          HE1       LYS  50 193.266   3.697   0.493
  446   1HZ   LYS  50          HZ1       LYS  50 191.689   4.883  -0.557
  447   2HZ   LYS  50          HZ2       LYS  50 191.751   3.955  -1.969
  448   3HZ   LYS  50          HZ3       LYS  50 192.908   5.158  -1.697
  449    H    TYR  51           HN       TYR  51 198.277   4.087  -1.301
  450    HA   TYR  51           HA       TYR  51 199.172   6.837  -1.503
  451   1HB   TYR  51          HB2       TYR  51 201.063   4.506  -1.290
  452   2HB   TYR  51          HB1       TYR  51 201.513   5.970  -2.160
  453    HD1  TYR  51           HD1      TYR  51 200.831   4.503   1.101
  454    HD2  TYR  51           HD2      TYR  51 201.885   8.057  -0.968
  455    HE1  TYR  51           HE1      TYR  51 201.505   5.529   3.233
  456    HE2  TYR  51           HE2      TYR  51 202.567   9.099   1.150
  457    HH   TYR  51           HH       TYR  51 203.349   8.300   3.428
  458    H    LEU  52           HN       LEU  52 198.581   7.435  -3.474
  459    HA   LEU  52           HA       LEU  52 198.393   5.419  -5.586
  460   1HB   LEU  52          HB2       LEU  52 196.745   7.519  -4.871
  461   2HB   LEU  52          HB1       LEU  52 197.596   8.157  -6.263
  462    HG   LEU  52           HG       LEU  52 196.780   6.390  -7.670
  463   1HD1  LEU  52          HD11      LEU  52 196.144   5.114  -5.086
  464   2HD1  LEU  52          HD12      LEU  52 196.673   4.400  -6.608
  465   3HD1  LEU  52          HD13      LEU  52 194.986   4.863  -6.392
  466   1HD2  LEU  52          HD21      LEU  52 194.281   6.934  -6.208
  467   2HD2  LEU  52          HD22      LEU  52 194.693   7.207  -7.901
  468   3HD2  LEU  52          HD23      LEU  52 195.230   8.349  -6.668
  469    H    VAL  53           HN       VAL  53 200.669   5.221  -5.830
  470    HA   VAL  53           HA       VAL  53 202.010   7.536  -7.046
  471    HB   VAL  53           HB       VAL  53 203.992   5.682  -6.779
  472   1HG1  VAL  53          HG11      VAL  53 203.110   7.669  -4.686
  473   2HG1  VAL  53          HG12      VAL  53 204.076   8.037  -6.115
  474   3HG1  VAL  53          HG13      VAL  53 204.727   6.987  -4.855
  475   1HG2  VAL  53          HG21      VAL  53 202.104   5.283  -4.462
  476   2HG2  VAL  53          HG22      VAL  53 203.789   4.767  -4.483
  477   3HG2  VAL  53          HG23      VAL  53 202.640   4.067  -5.620
  478    HA   PRO  54           HA       PRO  54 202.055   5.914 -11.130
  479   1HB   PRO  54          HB2       PRO  54 204.986   6.404 -11.144
  480   2HB   PRO  54          HB1       PRO  54 203.742   6.986 -12.256
  481   1HG   PRO  54          HG2       PRO  54 204.835   8.621 -10.458
  482   2HG   PRO  54          HG1       PRO  54 203.108   8.718 -10.852
  483   1HD   PRO  54          HD2       PRO  54 204.444   7.535  -8.456
  484   2HD   PRO  54          HD1       PRO  54 202.916   8.432  -8.569
  485    H    SER  55           HN       SER  55 203.817   4.551 -12.525
  486    HA   SER  55           HA       SER  55 204.330   2.139 -10.915
  487   1HB   SER  55          HB2       SER  55 202.851   2.452 -13.300
  488   2HB   SER  55          HB1       SER  55 204.329   1.600 -13.744
  489    HG   SER  55           HG       SER  55 202.284   0.468 -12.791
  490    H    ASP  56           HN       ASP  56 205.804   4.641 -12.639
  491    HA   ASP  56           HA       ASP  56 208.225   3.071 -13.144
  492   1HB   ASP  56          HB2       ASP  56 207.167   5.671 -14.190
  493   2HB   ASP  56          HB1       ASP  56 208.906   5.401 -14.183
  494    H    LEU  57           HN       LEU  57 206.804   5.000 -10.822
  495    HA   LEU  57           HA       LEU  57 208.863   6.620  -9.912
  496   1HB   LEU  57          HB2       LEU  57 206.549   6.754  -9.102
  497   2HB   LEU  57          HB1       LEU  57 206.765   5.225  -8.267
  498    HG   LEU  57           HG       LEU  57 208.788   6.520  -7.157
  499   1HD1  LEU  57          HD11      LEU  57 206.852   8.759  -7.672
  500   2HD1  LEU  57          HD12      LEU  57 208.347   8.527  -8.578
  501   3HD1  LEU  57          HD13      LEU  57 208.406   8.837  -6.843
  502   1HD2  LEU  57          HD21      LEU  57 207.292   5.691  -5.648
  503   2HD2  LEU  57          HD22      LEU  57 205.901   6.395  -6.472
  504   3HD2  LEU  57          HD23      LEU  57 206.946   7.412  -5.480
  505    H    THR  58           HN       THR  58 210.861   5.939  -9.564
  506    HA   THR  58           HA       THR  58 211.574   3.314  -8.826
  507    HB   THR  58           HB       THR  58 213.754   4.748  -8.091
  508    HG1  THR  58           HG1      THR  58 212.650   6.292 -10.175
  509   1HG2  THR  58          HG21      THR  58 212.906   3.348 -10.425
  510   2HG2  THR  58          HG22      THR  58 214.536   3.573  -9.787
  511   3HG2  THR  58          HG23      THR  58 213.850   4.762 -10.894
  512    H    VAL  59           HN       VAL  59 212.181   2.411  -6.917
  513    HA   VAL  59           HA       VAL  59 210.832   2.985  -4.614
  514    HB   VAL  59           HB       VAL  59 213.433   1.570  -5.089
  515   1HG1  VAL  59          HG11      VAL  59 213.307   0.741  -2.738
  516   2HG1  VAL  59          HG12      VAL  59 212.080   1.968  -2.421
  517   3HG1  VAL  59          HG13      VAL  59 213.714   2.452  -2.873
  518   1HG2  VAL  59          HG21      VAL  59 212.205  -0.331  -5.095
  519   2HG2  VAL  59          HG22      VAL  59 210.925   0.788  -5.565
  520   3HG2  VAL  59          HG23      VAL  59 211.067   0.267  -3.887
  521    H    GLY  60           HN       GLY  60 213.916   4.307  -5.688
  522   1HA   GLY  60          HA2       GLY  60 214.674   5.577  -3.289
  523   2HA   GLY  60          HA1       GLY  60 215.178   6.061  -4.903
  524    H    GLN  61           HN       GLN  61 212.515   6.519  -5.884
  525    HA   GLN  61           HA       GLN  61 212.154   9.218  -5.010
  526   1HB   GLN  61          HB2       GLN  61 210.506   7.484  -6.847
  527   2HB   GLN  61          HB1       GLN  61 210.262   9.210  -6.602
  528   1HG   GLN  61          HG2       GLN  61 212.571   9.596  -7.370
  529   2HG   GLN  61          HG1       GLN  61 212.693   7.878  -7.746
  530   1HE2  GLN  61          HE21      GLN  61 210.104   7.494  -8.741
  531   2HE2  GLN  61          HE22      GLN  61 209.966   8.310 -10.258
  532    H    PHE  62           HN       PHE  62 210.263   6.232  -4.778
  533    HA   PHE  62           HA       PHE  62 208.041   7.184  -3.425
  534   1HB   PHE  62          HB2       PHE  62 208.508   4.833  -4.354
  535   2HB   PHE  62          HB1       PHE  62 209.284   4.512  -2.809
  536    HD1  PHE  62           HD1      PHE  62 207.880   2.984  -1.775
  537    HD2  PHE  62           HD2      PHE  62 206.235   6.501  -3.511
  538    HE1  PHE  62           HE1      PHE  62 205.688   2.439  -0.795
  539    HE2  PHE  62           HE2      PHE  62 204.042   5.966  -2.536
  540    HZ   PHE  62           HZ       PHE  62 203.768   3.933  -1.179
  541    H    TYR  63           HN       TYR  63 211.169   6.157  -2.145
  542    HA   TYR  63           HA       TYR  63 210.634   6.194   0.579
  543   1HB   TYR  63          HB2       TYR  63 213.055   6.634  -1.099
  544   2HB   TYR  63          HB1       TYR  63 213.147   7.129   0.586
  545    HD1  TYR  63           HD1      TYR  63 213.740   4.533  -1.628
  546    HD2  TYR  63           HD2      TYR  63 212.250   5.263   2.283
  547    HE1  TYR  63           HE1      TYR  63 214.283   2.219  -0.998
  548    HE2  TYR  63           HE2      TYR  63 212.784   2.956   2.928
  549    HH   TYR  63           HH       TYR  63 214.709   0.899   0.971
  550    H    PHE  64           HN       PHE  64 212.354   8.740  -1.117
  551    HA   PHE  64           HA       PHE  64 212.352  10.765   0.638
  552   1HB   PHE  64          HB2       PHE  64 213.453  11.163  -1.372
  553   2HB   PHE  64          HB1       PHE  64 212.066  10.679  -2.337
  554    HD1  PHE  64           HD1      PHE  64 213.346  13.393  -0.156
  555    HD2  PHE  64           HD2      PHE  64 210.611  12.255  -3.213
  556    HE1  PHE  64           HE1      PHE  64 212.771  15.758  -0.515
  557    HE2  PHE  64           HE2      PHE  64 210.029  14.620  -3.576
  558    HZ   PHE  64           HZ       PHE  64 211.111  16.374  -2.227
  559    H    LEU  65           HN       LEU  65 209.543   9.741  -1.234
  560    HA   LEU  65           HA       LEU  65 207.961  11.998  -0.465
  561   1HB   LEU  65          HB2       LEU  65 206.608  11.289  -2.075
  562   2HB   LEU  65          HB1       LEU  65 207.789  10.036  -2.404
  563    HG   LEU  65           HG       LEU  65 206.568   8.640  -0.689
  564   1HD1  LEU  65          HD11      LEU  65 204.037   9.951  -1.164
  565   2HD1  LEU  65          HD12      LEU  65 205.159  11.021  -0.321
  566   3HD1  LEU  65          HD13      LEU  65 204.766   9.443   0.359
  567   1HD2  LEU  65          HD21      LEU  65 204.954   9.352  -3.127
  568   2HD2  LEU  65          HD22      LEU  65 205.074   7.788  -2.323
  569   3HD2  LEU  65          HD23      LEU  65 206.458   8.435  -3.204
  570    H    ILE  66           HN       ILE  66 208.181   8.615   0.572
  571    HA   ILE  66           HA       ILE  66 206.163   8.828   2.559
  572    HB   ILE  66           HB       ILE  66 208.429   6.866   2.217
  573   1HG1  ILE  66          HG12      ILE  66 206.784   6.671   0.478
  574   2HG1  ILE  66          HG11      ILE  66 206.544   5.333   1.596
  575   1HG2  ILE  66          HG21      ILE  66 206.405   7.123   4.379
  576   2HG2  ILE  66          HG22      ILE  66 208.080   6.574   4.456
  577   3HG2  ILE  66          HG23      ILE  66 206.829   5.506   3.819
  578   1HD1  ILE  66          HD11      ILE  66 204.409   5.912   1.663
  579   2HD1  ILE  66          HD12      ILE  66 204.726   7.415   0.799
  580   3HD1  ILE  66          HD13      ILE  66 204.895   7.354   2.553
  581    H    ARG  67           HN       ARG  67 209.611   9.383   2.477
  582    HA   ARG  67           HA       ARG  67 210.277   9.442   5.146
  583   1HB   ARG  67          HB2       ARG  67 211.336  10.569   2.667
  584   2HB   ARG  67          HB1       ARG  67 211.680  11.585   4.060
  585   1HG   ARG  67          HG2       ARG  67 213.288  10.220   4.740
  586   2HG   ARG  67          HG1       ARG  67 212.204   8.827   4.686
  587   1HD   ARG  67          HD2       ARG  67 212.727   8.388   2.436
  588   2HD   ARG  67          HD1       ARG  67 213.474   9.972   2.220
  589    HE   ARG  67           HE       ARG  67 214.810   8.406   4.196
  590   1HH1  ARG  67          HH11      ARG  67 214.493   8.908   0.758
  591   2HH1  ARG  67          HH12      ARG  67 216.075   8.304   0.398
  592   1HH2  ARG  67          HH21      ARG  67 216.891   7.610   3.725
  593   2HH2  ARG  67          HH22      ARG  67 217.436   7.566   2.081
  594    H    LYS  68           HN       LYS  68 208.861  12.093   3.221
  595    HA   LYS  68           HA       LYS  68 208.829  13.988   5.319
  596   1HB   LYS  68          HB2       LYS  68 206.926  13.829   2.984
  597   2HB   LYS  68          HB1       LYS  68 207.339  15.260   3.917
  598   1HG   LYS  68          HG2       LYS  68 209.064  15.694   2.597
  599   2HG   LYS  68          HG1       LYS  68 209.709  14.067   2.820
  600   1HD   LYS  68          HD2       LYS  68 208.279  13.225   1.055
  601   2HD   LYS  68          HD1       LYS  68 207.526  14.810   0.875
  602   1HE   LYS  68          HE2       LYS  68 210.449  14.224   0.426
  603   2HE   LYS  68          HE1       LYS  68 209.235  14.336  -0.850
  604   1HZ   LYS  68          HZ1       LYS  68 209.395  16.534  -0.841
  605   2HZ   LYS  68          HZ2       LYS  68 210.714  16.401   0.210
  606   3HZ   LYS  68          HZ3       LYS  68 209.157  16.625   0.832
  607    H    ARG  69           HN       ARG  69 206.463  11.613   4.188
  608    HA   ARG  69           HA       ARG  69 204.305  12.377   5.780
  609   1HB   ARG  69          HB2       ARG  69 205.028   9.548   5.007
  610   2HB   ARG  69          HB1       ARG  69 203.430  10.156   5.417
  611   1HG   ARG  69          HG2       ARG  69 204.647  11.628   3.235
  612   2HG   ARG  69          HG1       ARG  69 204.477   9.906   2.887
  613   1HD   ARG  69          HD2       ARG  69 202.221   9.998   2.864
  614   2HD   ARG  69          HD1       ARG  69 202.150  11.211   4.141
  615    HE   ARG  69           HE       ARG  69 202.131  11.676   1.322
  616   1HH1  ARG  69          HH11      ARG  69 203.071  13.043   4.391
  617   2HH1  ARG  69          HH12      ARG  69 203.000  14.678   3.826
  618   1HH2  ARG  69          HH21      ARG  69 202.036  13.826   0.577
  619   2HH2  ARG  69          HH22      ARG  69 202.412  15.123   1.661
  620    H    ILE  70           HN       ILE  70 207.289  10.945   6.647
  621    HA   ILE  70           HA       ILE  70 206.268  10.317   9.333
  622    HB   ILE  70           HB       ILE  70 208.778   9.142   9.195
  623   1HG1  ILE  70          HG12      ILE  70 207.355   8.189   6.742
  624   2HG1  ILE  70          HG11      ILE  70 208.417   9.586   6.632
  625   1HG2  ILE  70          HG21      ILE  70 207.643   7.268   9.766
  626   2HG2  ILE  70          HG22      ILE  70 206.430   7.483   8.505
  627   3HG2  ILE  70          HG23      ILE  70 206.336   8.431   9.987
  628   1HD1  ILE  70          HD11      ILE  70 209.198   7.011   6.331
  629   2HD1  ILE  70          HD12      ILE  70 209.593   7.309   8.024
  630   3HD1  ILE  70          HD13      ILE  70 210.259   8.351   6.766
  631    H    HIS  71           HN       HIS  71 207.951  12.577   7.638
  632    HA   HIS  71           HA       HIS  71 209.044  14.443   8.302
  633   1HB   HIS  71          HB2       HIS  71 209.302  13.319  11.092
  634   2HB   HIS  71          HB1       HIS  71 209.335  15.007  10.592
  635    HD1  HIS  71           HD1      HIS  71 206.650  14.145   8.714
  636    HD2  HIS  71           HD2      HIS  71 207.166  14.230  12.836
  637    HE1  HIS  71           HE1      HIS  71 204.335  14.332   9.678
  638    HE2  HIS  71           HE2      HIS  71 204.679  14.470  12.169
  639    H    LEU  72           HN       LEU  72 210.368  12.736   6.954
  640    HA   LEU  72           HA       LEU  72 213.030  12.617   8.204
  641   1HB   LEU  72          HB2       LEU  72 211.836  10.647   6.267
  642   2HB   LEU  72          HB1       LEU  72 213.462  10.576   6.924
  643    HG   LEU  72           HG       LEU  72 210.853  10.092   8.341
  644   1HD1  LEU  72          HD11      LEU  72 212.232   8.317   7.041
  645   2HD1  LEU  72          HD12      LEU  72 211.597   7.931   8.640
  646   3HD1  LEU  72          HD13      LEU  72 213.293   8.375   8.448
  647   1HD2  LEU  72          HD21      LEU  72 212.759   9.680  10.245
  648   2HD2  LEU  72          HD22      LEU  72 211.742  11.115  10.127
  649   3HD2  LEU  72          HD23      LEU  72 213.364  11.125   9.438
  650    H    ARG  73           HN       ARG  73 214.695  13.427   6.995
  651    HA   ARG  73           HA       ARG  73 214.027  14.329   4.271
  652   1HB   ARG  73          HB2       ARG  73 215.759  16.203   4.874
  653   2HB   ARG  73          HB1       ARG  73 214.078  16.348   5.364
  654   1HG   ARG  73          HG2       ARG  73 216.095  15.129   7.203
  655   2HG   ARG  73          HG1       ARG  73 215.937  16.882   7.067
  656   1HD   ARG  73          HD2       ARG  73 213.337  16.108   7.335
  657   2HD   ARG  73          HD1       ARG  73 214.167  14.916   8.335
  658    HE   ARG  73           HE       ARG  73 213.867  17.730   8.868
  659   1HH1  ARG  73          HH11      ARG  73 215.733  14.859   9.545
  660   2HH1  ARG  73          HH12      ARG  73 216.317  15.447  11.066
  661   1HH2  ARG  73          HH21      ARG  73 214.634  18.503  10.868
  662   2HH2  ARG  73          HH22      ARG  73 215.693  17.515  11.817
  663    H    ALA  74           HN       ALA  74 215.046  12.150   3.832
  664    HA   ALA  74           HA       ALA  74 216.755  10.963   2.912
  665   1HB   ALA  74          HB1       ALA  74 218.179  12.108   1.587
  666   2HB   ALA  74          HB2       ALA  74 218.640  13.232   2.867
  667   3HB   ALA  74          HB3       ALA  74 217.119  13.455   2.002
  668    H    GLU  75           HN       GLU  75 218.563  13.347   4.854
  669    HA   GLU  75           HA       GLU  75 220.555  11.723   5.766
  670   1HB   GLU  75          HB2       GLU  75 219.152  13.953   7.243
  671   2HB   GLU  75          HB1       GLU  75 220.658  13.221   7.777
  672   1HG   GLU  75          HG2       GLU  75 220.684  14.144   5.001
  673   2HG   GLU  75          HG1       GLU  75 220.456  15.420   6.196
  674    H    ASP  76           HN       ASP  76 217.247  11.846   6.850
  675    HA   ASP  76           HA       ASP  76 217.643  10.280   9.214
  676   1HB   ASP  76          HB2       ASP  76 215.211  11.106   7.641
  677   2HB   ASP  76          HB1       ASP  76 215.094  10.018   9.021
  678    H    ALA  77           HN       ALA  77 216.809   8.134   9.537
  679    HA   ALA  77           HA       ALA  77 217.442   6.429   7.278
  680   1HB   ALA  77          HB1       ALA  77 217.482   4.613   8.857
  681   2HB   ALA  77          HB2       ALA  77 216.796   5.644  10.113
  682   3HB   ALA  77          HB3       ALA  77 218.415   5.967   9.493
  683    H    LEU  78           HN       LEU  78 216.100   5.065   6.281
  684    HA   LEU  78           HA       LEU  78 213.484   4.415   7.196
  685   1HB   LEU  78          HB2       LEU  78 213.041   6.693   6.445
  686   2HB   LEU  78          HB1       LEU  78 213.731   6.326   4.876
  687    HG   LEU  78           HG       LEU  78 211.910   4.599   4.593
  688   1HD1  LEU  78          HD11      LEU  78 209.860   5.156   6.033
  689   2HD1  LEU  78          HD12      LEU  78 211.020   5.876   7.151
  690   3HD1  LEU  78          HD13      LEU  78 211.136   4.165   6.741
  691   1HD2  LEU  78          HD21      LEU  78 210.338   6.168   3.793
  692   2HD2  LEU  78          HD22      LEU  78 211.918   6.940   3.634
  693   3HD2  LEU  78          HD23      LEU  78 210.847   7.387   4.962
  694    H    PHE  79           HN       PHE  79 213.282   2.386   6.551
  695    HA   PHE  79           HA       PHE  79 214.254   1.661   3.864
  696   1HB   PHE  79          HB2       PHE  79 214.247  -0.105   6.325
  697   2HB   PHE  79          HB1       PHE  79 214.797  -0.572   4.721
  698    HD1  PHE  79           HD1      PHE  79 217.004  -0.237   4.079
  699    HD2  PHE  79           HD2      PHE  79 215.488   1.773   7.511
  700    HE1  PHE  79           HE1      PHE  79 219.281   0.511   4.642
  701    HE2  PHE  79           HE2      PHE  79 217.760   2.526   8.079
  702    HZ   PHE  79           HZ       PHE  79 219.660   1.896   6.644
  703    H    PHE  80           HN       PHE  80 212.779   0.786   2.554
  704    HA   PHE  80           HA       PHE  80 210.096   0.420   3.526
  705   1HB   PHE  80          HB2       PHE  80 211.372   0.309   0.809
  706   2HB   PHE  80          HB1       PHE  80 209.723  -0.253   1.051
  707    HD1  PHE  80           HD1      PHE  80 210.778   2.069  -0.685
  708    HD2  PHE  80           HD2      PHE  80 209.089   1.895   3.218
  709    HE1  PHE  80           HE1      PHE  80 209.968   4.377  -0.932
  710    HE2  PHE  80           HE2      PHE  80 208.280   4.203   2.977
  711    HZ   PHE  80           HZ       PHE  80 208.716   5.445   0.899
  712    H    PHE  81           HN       PHE  81 208.904  -1.466   3.520
  713    HA   PHE  81           HA       PHE  81 210.334  -3.954   2.982
  714   1HB   PHE  81          HB2       PHE  81 208.854  -3.356   5.550
  715   2HB   PHE  81          HB1       PHE  81 209.509  -4.929   5.100
  716    HD1  PHE  81           HD1      PHE  81 211.869  -5.366   5.189
  717    HD2  PHE  81           HD2      PHE  81 210.325  -1.520   6.151
  718    HE1  PHE  81           HE1      PHE  81 214.042  -4.741   6.159
  719    HE2  PHE  81           HE2      PHE  81 212.494  -0.886   7.121
  720    HZ   PHE  81           HZ       PHE  81 214.366  -2.495   7.115
  721    H    VAL  82           HN       VAL  82 209.177  -5.024   1.556
  722    HA   VAL  82           HA       VAL  82 206.239  -4.956   1.783
  723    HB   VAL  82           HB       VAL  82 207.097  -3.721  -0.219
  724   1HG1  VAL  82          HG11      VAL  82 207.752  -6.267  -1.575
  725   2HG1  VAL  82          HG12      VAL  82 208.953  -5.616  -0.460
  726   3HG1  VAL  82          HG13      VAL  82 208.399  -4.647  -1.826
  727   1HG2  VAL  82          HG21      VAL  82 205.671  -6.094  -1.291
  728   2HG2  VAL  82          HG22      VAL  82 205.332  -4.376  -1.507
  729   3HG2  VAL  82          HG23      VAL  82 204.902  -5.179   0.004
  730    H    ASN  83           HN       ASN  83 205.472  -6.875   2.357
  731    HA   ASN  83           HA       ASN  83 205.180  -9.131   2.515
  732   1HB   ASN  83          HB2       ASN  83 207.214  -9.457   0.301
  733   2HB   ASN  83          HB1       ASN  83 205.938 -10.578   0.768
  734   1HD2  ASN  83          HD21      ASN  83 206.245  -9.783  -1.831
  735   2HD2  ASN  83          HD22      ASN  83 204.914  -8.784  -2.294
  736    H    ASN  84           HN       ASN  84 207.334  -7.539   3.809
  737    HA   ASN  84           HA       ASN  84 208.741  -8.016   5.546
  738   1HB   ASN  84          HB2       ASN  84 207.716 -10.500   5.119
  739   2HB   ASN  84          HB1       ASN  84 209.421 -10.775   4.775
  740   1HD2  ASN  84          HD21      ASN  84 207.878 -11.823   6.950
  741   2HD2  ASN  84          HD22      ASN  84 208.610 -11.256   8.408
  742    H    VAL  85           HN       VAL  85 209.399  -7.831   2.370
  743    HA   VAL  85           HA       VAL  85 212.290  -8.171   2.782
  744    HB   VAL  85           HB       VAL  85 211.318  -9.655   1.098
  745   1HG1  VAL  85          HG11      VAL  85 210.192  -7.166   0.098
  746   2HG1  VAL  85          HG12      VAL  85 209.663  -8.829  -0.151
  747   3HG1  VAL  85          HG13      VAL  85 210.947  -8.153  -1.153
  748   1HG2  VAL  85          HG21      VAL  85 213.681  -8.690   1.029
  749   2HG2  VAL  85          HG22      VAL  85 213.089  -7.693  -0.298
  750   3HG2  VAL  85          HG23      VAL  85 213.065  -9.450  -0.438
  751    H    ILE  86           HN       ILE  86 213.667  -6.748   1.570
  752    HA   ILE  86           HA       ILE  86 212.637  -4.013   1.603
  753    HB   ILE  86           HB       ILE  86 215.475  -5.005   1.444
  754   1HG1  ILE  86          HG12      ILE  86 213.641  -4.213   3.671
  755   2HG1  ILE  86          HG11      ILE  86 214.779  -5.552   3.588
  756   1HG2  ILE  86          HG21      ILE  86 215.221  -2.827   0.384
  757   2HG2  ILE  86          HG22      ILE  86 216.070  -2.660   1.921
  758   3HG2  ILE  86          HG23      ILE  86 214.367  -2.217   1.801
  759   1HD1  ILE  86          HD11      ILE  86 216.199  -3.087   3.460
  760   2HD1  ILE  86          HD12      ILE  86 216.289  -4.370   4.660
  761   3HD1  ILE  86          HD13      ILE  86 215.105  -3.077   4.838
  762    HA   PRO  87           HA       PRO  87 212.637  -4.183  -2.887
  763   1HB   PRO  87          HB2       PRO  87 211.591  -1.748  -3.338
  764   2HB   PRO  87          HB1       PRO  87 210.609  -3.084  -2.724
  765   1HG   PRO  87          HG2       PRO  87 211.837  -0.796  -1.237
  766   2HG   PRO  87          HG1       PRO  87 210.220  -1.504  -1.066
  767   1HD   PRO  87          HD2       PRO  87 212.312  -2.074   0.603
  768   2HD   PRO  87          HD1       PRO  87 210.970  -3.192   0.289
  769    HA   PRO  88           HA       PRO  88 216.459  -2.108  -3.799
  770   1HB   PRO  88          HB2       PRO  88 215.795  -2.335  -6.638
  771   2HB   PRO  88          HB1       PRO  88 217.058  -3.157  -5.719
  772   1HG   PRO  88          HG2       PRO  88 214.893  -4.458  -6.679
  773   2HG   PRO  88          HG1       PRO  88 215.689  -4.924  -5.166
  774   1HD   PRO  88          HD2       PRO  88 213.196  -3.312  -5.574
  775   2HD   PRO  88          HD1       PRO  88 213.524  -4.608  -4.402
  776    H    THR  89           HN       THR  89 216.925  -0.001  -3.837
  777    HA   THR  89           HA       THR  89 215.075   2.018  -4.272
  778    HB   THR  89           HB       THR  89 217.182   3.481  -4.575
  779    HG1  THR  89           HG1      THR  89 218.448   1.555  -5.197
  780   1HG2  THR  89          HG21      THR  89 217.472   3.663  -2.326
  781   2HG2  THR  89          HG22      THR  89 217.416   1.919  -2.063
  782   3HG2  THR  89          HG23      THR  89 215.927   2.813  -2.370
  783    H    SER  90           HN       SER  90 216.997   0.263  -6.551
  784    HA   SER  90           HA       SER  90 216.732   2.177  -8.681
  785   1HB   SER  90          HB2       SER  90 217.794   0.492 -10.071
  786   2HB   SER  90          HB1       SER  90 218.646   0.591  -8.531
  787    HG   SER  90           HG       SER  90 218.202  -1.430  -8.247
  788    H    ALA  91           HN       ALA  91 215.038  -0.697  -7.596
  789    HA   ALA  91           HA       ALA  91 213.498  -1.226  -9.863
  790   1HB   ALA  91          HB1       ALA  91 213.715  -2.635  -7.771
  791   2HB   ALA  91          HB2       ALA  91 212.100  -2.524  -8.472
  792   3HB   ALA  91          HB3       ALA  91 212.510  -1.573  -7.044
  793    H    THR  92           HN       THR  92 211.143  -0.858 -10.111
  794    HA   THR  92           HA       THR  92 210.448   1.887  -9.304
  795    HB   THR  92           HB       THR  92 209.218   2.132 -11.328
  796    HG1  THR  92           HG1      THR  92 208.837   0.433 -12.717
  797   1HG2  THR  92          HG21      THR  92 211.887   0.857 -11.738
  798   2HG2  THR  92          HG22      THR  92 211.409   2.544 -11.930
  799   3HG2  THR  92          HG23      THR  92 210.894   1.341 -13.113
  800    H    MET  93           HN       MET  93 208.344   2.355  -8.650
  801    HA   MET  93           HA       MET  93 207.080   0.616  -6.947
  802   1HB   MET  93          HB2       MET  93 206.065   2.983  -8.484
  803   2HB   MET  93          HB1       MET  93 204.995   2.068  -7.432
  804   1HG   MET  93          HG2       MET  93 207.540   2.860  -6.217
  805   2HG   MET  93          HG1       MET  93 206.477   4.191  -6.664
  806   1HE   MET  93          HE1       MET  93 205.518   0.607  -5.700
  807   2HE   MET  93          HE2       MET  93 204.973   0.733  -4.027
  808   3HE   MET  93          HE3       MET  93 206.692   0.848  -4.406
  809    H    GLY  94           HN       GLY  94 206.467   1.069 -10.405
  810   1HA   GLY  94          HA2       GLY  94 204.191  -0.567 -10.605
  811   2HA   GLY  94          HA1       GLY  94 205.314  -0.221 -11.914
  812    H    GLN  95           HN       GLN  95 207.637  -1.347 -10.791
  813    HA   GLN  95           HA       GLN  95 207.332  -4.042 -11.538
  814   1HB   GLN  95          HB2       GLN  95 209.543  -2.597 -10.081
  815   2HB   GLN  95          HB1       GLN  95 209.646  -4.293 -10.533
  816   1HG   GLN  95          HG2       GLN  95 208.924  -3.109 -12.888
  817   2HG   GLN  95          HG1       GLN  95 209.970  -1.893 -12.155
  818   1HE2  GLN  95          HE21      GLN  95 212.101  -2.160 -12.265
  819   2HE2  GLN  95          HE22      GLN  95 212.901  -3.584 -12.831
  820    H    LEU  96           HN       LEU  96 207.440  -2.422  -8.415
  821    HA   LEU  96           HA       LEU  96 207.477  -4.766  -6.827
  822   1HB   LEU  96          HB2       LEU  96 206.333  -2.069  -6.091
  823   2HB   LEU  96          HB1       LEU  96 206.842  -3.328  -4.982
  824    HG   LEU  96           HG       LEU  96 208.593  -1.611  -6.735
  825   1HD1  LEU  96          HD11      LEU  96 208.151  -0.415  -4.806
  826   2HD1  LEU  96          HD12      LEU  96 209.640  -1.263  -4.392
  827   3HD1  LEU  96          HD13      LEU  96 208.090  -1.861  -3.798
  828   1HD2  LEU  96          HD21      LEU  96 209.497  -3.873  -4.963
  829   2HD2  LEU  96          HD22      LEU  96 210.487  -2.874  -6.028
  830   3HD2  LEU  96          HD23      LEU  96 209.322  -4.008  -6.712
  831    H    TYR  97           HN       TYR  97 204.870  -2.718  -8.058
  832    HA   TYR  97           HA       TYR  97 202.751  -4.066  -6.775
  833   1HB   TYR  97          HB2       TYR  97 202.438  -1.846  -7.718
  834   2HB   TYR  97          HB1       TYR  97 202.767  -2.461  -9.336
  835    HD1  TYR  97           HD1      TYR  97 201.174  -4.317 -10.208
  836    HD2  TYR  97           HD2      TYR  97 200.257  -1.751  -6.945
  837    HE1  TYR  97           HE1      TYR  97 198.782  -4.804 -10.508
  838    HE2  TYR  97           HE2      TYR  97 197.860  -2.230  -7.232
  839    HH   TYR  97           HH       TYR  97 196.430  -3.957  -8.193
  840    H    GLN  98           HN       GLN  98 204.564  -4.716  -9.677
  841    HA   GLN  98           HA       GLN  98 202.659  -6.684 -10.613
  842   1HB   GLN  98          HB2       GLN  98 205.383  -5.913 -11.645
  843   2HB   GLN  98          HB1       GLN  98 204.281  -7.033 -12.433
  844   1HG   GLN  98          HG2       GLN  98 202.793  -4.712 -11.991
  845   2HG   GLN  98          HG1       GLN  98 204.371  -4.167 -12.557
  846   1HE2  GLN  98          HE21      GLN  98 205.204  -5.372 -14.499
  847   2HE2  GLN  98          HE22      GLN  98 204.064  -5.722 -15.749
  848    H    GLU  99           HN       GLU  99 205.556  -6.603  -8.708
  849    HA   GLU  99           HA       GLU  99 205.684  -9.545  -8.824
  850   1HB   GLU  99          HB2       GLU  99 207.834  -7.490  -8.413
  851   2HB   GLU  99          HB1       GLU  99 208.074  -9.189  -8.021
  852   1HG   GLU  99          HG2       GLU  99 207.155  -9.447 -10.516
  853   2HG   GLU  99          HG1       GLU  99 207.890  -7.850 -10.642
  854    H    HIS 100           HN       HIS 100 204.517  -7.227  -6.801
  855    HA   HIS 100           HA       HIS 100 205.019  -8.963  -4.497
  856   1HB   HIS 100          HB2       HIS 100 205.484  -5.982  -4.489
  857   2HB   HIS 100          HB1       HIS 100 205.433  -6.985  -3.043
  858    HD1  HIS 100           HD1      HIS 100 207.560  -8.110  -2.373
  859    HD2  HIS 100           HD2      HIS 100 207.695  -6.662  -6.266
  860    HE1  HIS 100           HE1      HIS 100 209.938  -8.429  -3.125
  861    HE2  HIS 100           HE2      HIS 100 210.015  -7.468  -5.455
  862    H    HIS 101           HN       HIS 101 202.716  -7.554  -6.343
  863    HA   HIS 101           HA       HIS 101 200.958  -6.572  -4.314
  864   1HB   HIS 101          HB2       HIS 101 199.300  -6.374  -6.032
  865   2HB   HIS 101          HB1       HIS 101 200.838  -5.883  -6.723
  866    HD1  HIS 101           HD1      HIS 101 202.068  -8.007  -8.088
  867    HD2  HIS 101           HD2      HIS 101 197.943  -8.089  -7.599
  868    HE1  HIS 101           HE1      HIS 101 201.218  -9.617  -9.821
  869    HE2  HIS 101           HE2      HIS 101 198.713  -9.576  -9.571
  870    H    GLU 102           HN       GLU 102 200.342  -7.941  -2.759
  871    HA   GLU 102           HA       GLU 102 199.883 -10.729  -3.245
  872   1HB   GLU 102          HB2       GLU 102 199.359  -8.981  -0.835
  873   2HB   GLU 102          HB1       GLU 102 199.084 -10.717  -0.860
  874   1HG   GLU 102          HG2       GLU 102 201.762  -9.639  -1.604
  875   2HG   GLU 102          HG1       GLU 102 201.300  -9.748   0.094
  876    H    GLU 103           HN       GLU 103 198.308  -9.917  -5.050
  877    HA   GLU 103           HA       GLU 103 196.189  -9.818  -5.869
  878   1HB   GLU 103          HB2       GLU 103 196.254 -11.918  -4.161
  879   2HB   GLU 103          HB1       GLU 103 194.970 -10.964  -3.429
  880   1HG   GLU 103          HG2       GLU 103 193.638 -12.042  -4.854
  881   2HG   GLU 103          HG1       GLU 103 194.258 -10.906  -6.050
  882    H    ASP 104           HN       ASP 104 193.753  -9.280  -5.007
  883    HA   ASP 104           HA       ASP 104 192.328  -7.744  -4.082
  884   1HB   ASP 104          HB2       ASP 104 194.353  -7.940  -2.142
  885   2HB   ASP 104          HB1       ASP 104 194.138  -6.213  -2.419
  886    H    PHE 105           HN       PHE 105 194.793  -7.195  -6.086
  887    HA   PHE 105           HA       PHE 105 195.406  -5.522  -7.494
  888   1HB   PHE 105          HB2       PHE 105 192.691  -4.448  -6.702
  889   2HB   PHE 105          HB1       PHE 105 193.657  -3.838  -8.041
  890    HD1  PHE 105           HD1      PHE 105 192.444  -7.149  -6.793
  891    HD2  PHE 105           HD2      PHE 105 193.048  -4.565 -10.122
  892    HE1  PHE 105           HE1      PHE 105 191.453  -8.837  -8.279
  893    HE2  PHE 105           HE2      PHE 105 192.058  -6.251 -11.613
  894    HZ   PHE 105           HZ       PHE 105 191.258  -8.390 -10.692
  895    H    PHE 106           HN       PHE 106 195.695  -5.222  -4.400
  896    HA   PHE 106           HA       PHE 106 196.427  -2.382  -4.460
  897   1HB   PHE 106          HB2       PHE 106 194.837  -3.891  -2.546
  898   2HB   PHE 106          HB1       PHE 106 196.177  -3.044  -1.780
  899    HD1  PHE 106           HD1      PHE 106 195.273  -1.211  -0.712
  900    HD2  PHE 106           HD2      PHE 106 194.088  -2.125  -4.694
  901    HE1  PHE 106           HE1      PHE 106 193.989   0.888  -0.799
  902    HE2  PHE 106           HE2      PHE 106 192.796  -0.013  -4.790
  903    HZ   PHE 106           HZ       PHE 106 192.750   1.488  -2.841
  904    H    LEU 107           HN       LEU 107 198.491  -2.028  -4.362
  905    HA   LEU 107           HA       LEU 107 200.363  -4.072  -3.513
  906   1HB   LEU 107          HB2       LEU 107 200.935  -2.810  -5.478
  907   2HB   LEU 107          HB1       LEU 107 200.656  -1.290  -4.660
  908    HG   LEU 107           HG       LEU 107 203.044  -1.691  -5.032
  909   1HD1  LEU 107          HD11      LEU 107 203.721  -0.863  -3.046
  910   2HD1  LEU 107          HD12      LEU 107 202.769  -2.013  -2.106
  911   3HD1  LEU 107          HD13      LEU 107 201.984  -0.635  -2.877
  912   1HD2  LEU 107          HD21      LEU 107 203.616  -3.877  -4.993
  913   2HD2  LEU 107          HD22      LEU 107 202.372  -4.293  -3.815
  914   3HD2  LEU 107          HD23      LEU 107 203.888  -3.570  -3.276
  915    H    TYR 108           HN       TYR 108 200.864  -4.261  -1.370
  916    HA   TYR 108           HA       TYR 108 200.668  -1.817   0.259
  917   1HB   TYR 108          HB2       TYR 108 199.644  -2.965   1.935
  918   2HB   TYR 108          HB1       TYR 108 199.205  -4.039   0.615
  919    HD1  TYR 108           HD1      TYR 108 199.807  -4.246   3.761
  920    HD2  TYR 108           HD2      TYR 108 201.692  -5.570   0.201
  921    HE1  TYR 108           HE1      TYR 108 200.822  -6.122   5.009
  922    HE2  TYR 108           HE2      TYR 108 202.719  -7.446   1.421
  923    HH   TYR 108           HH       TYR 108 202.482  -7.721   4.907
  924    H    ILE 109           HN       ILE 109 202.276  -1.200   1.588
  925    HA   ILE 109           HA       ILE 109 204.753  -2.782   1.613
  926    HB   ILE 109           HB       ILE 109 204.512   0.119   0.846
  927   1HG1  ILE 109          HG12      ILE 109 204.859  -2.411  -0.703
  928   2HG1  ILE 109          HG11      ILE 109 203.824  -1.029  -1.018
  929   1HG2  ILE 109          HG21      ILE 109 206.929  -1.635   1.217
  930   2HG2  ILE 109          HG22      ILE 109 206.561  -0.100   2.007
  931   3HG2  ILE 109          HG23      ILE 109 206.968  -0.132   0.294
  932   1HD1  ILE 109          HD11      ILE 109 206.796  -1.161  -1.422
  933   2HD1  ILE 109          HD12      ILE 109 205.801   0.274  -1.671
  934   3HD1  ILE 109          HD13      ILE 109 205.555  -1.156  -2.677
  935    H    ALA 110           HN       ALA 110 206.406  -1.822   3.114
  936    HA   ALA 110           HA       ALA 110 205.251  -0.321   5.373
  937   1HB   ALA 110          HB1       ALA 110 206.400  -1.777   6.957
  938   2HB   ALA 110          HB2       ALA 110 206.942  -2.802   5.628
  939   3HB   ALA 110          HB3       ALA 110 205.222  -2.674   5.999
  940    H    TYR 111           HN       TYR 111 206.962   0.501   6.835
  941    HA   TYR 111           HA       TYR 111 209.575   0.877   5.606
  942   1HB   TYR 111          HB2       TYR 111 209.491   3.269   5.581
  943   2HB   TYR 111          HB1       TYR 111 208.069   2.689   4.721
  944    HD1  TYR 111           HD1      TYR 111 205.897   3.241   5.468
  945    HD2  TYR 111           HD2      TYR 111 209.243   4.097   7.911
  946    HE1  TYR 111           HE1      TYR 111 204.447   4.551   6.956
  947    HE2  TYR 111           HE2      TYR 111 207.820   5.410   9.427
  948    HH   TYR 111           HH       TYR 111 204.372   5.383   9.182
  949    H    SER 112           HN       SER 112 211.158   0.949   7.090
  950    HA   SER 112           HA       SER 112 210.479   1.582   9.893
  951   1HB   SER 112          HB2       SER 112 210.774  -0.582  10.392
  952   2HB   SER 112          HB1       SER 112 211.414  -0.948   8.793
  953    HG   SER 112           HG       SER 112 212.771  -0.150  11.122
  954    H    ASP 113           HN       ASP 113 212.494   1.952  11.212
  955    HA   ASP 113           HA       ASP 113 214.227   3.747   9.728
  956   1HB   ASP 113          HB2       ASP 113 213.218   4.450  11.881
  957   2HB   ASP 113          HB1       ASP 113 214.128   3.181  12.699
  958    H    GLU 114           HN       GLU 114 214.301   0.567  10.072
  959    HA   GLU 114           HA       GLU 114 217.238   0.465  10.138
  960   1HB   GLU 114          HB2       GLU 114 215.408  -1.567  11.432
  961   2HB   GLU 114          HB1       GLU 114 217.164  -1.640  11.374
  962   1HG   GLU 114          HG2       GLU 114 217.138   0.570  12.632
  963   2HG   GLU 114          HG1       GLU 114 215.428   0.252  12.919
  964    H    SER 115           HN       SER 115 217.955  -1.804   9.299
  965    HA   SER 115           HA       SER 115 216.805  -2.063   6.676
  966   1HB   SER 115          HB2       SER 115 218.580  -3.732   6.281
  967   2HB   SER 115          HB1       SER 115 219.228  -2.235   6.956
  968    HG   SER 115           HG       SER 115 218.569  -4.502   8.525
  969    H    VAL 116           HN       VAL 116 215.779  -3.276   9.533
  970    HA   VAL 116           HA       VAL 116 214.824  -5.769   8.327
  971    HB   VAL 116           HB       VAL 116 214.099  -5.695  11.066
  972   1HG1  VAL 116          HG11      VAL 116 214.467  -7.738   9.931
  973   2HG1  VAL 116          HG12      VAL 116 215.702  -7.635  11.186
  974   3HG1  VAL 116          HG13      VAL 116 216.119  -7.290   9.508
  975   1HG2  VAL 116          HG21      VAL 116 216.422  -5.660  12.079
  976   2HG2  VAL 116          HG22      VAL 116 215.748  -4.094  11.625
  977   3HG2  VAL 116          HG23      VAL 116 216.956  -4.866  10.598
  978    H    TYR 117           HN       TYR 117 212.570  -6.271   8.748
  979    HA   TYR 117           HA       TYR 117 210.864  -4.117   8.158
  980   1HB   TYR 117          HB2       TYR 117 210.143  -6.285   7.491
  981   2HB   TYR 117          HB1       TYR 117 210.299  -6.920   9.127
  982    HD1  TYR 117           HD1      TYR 117 208.618  -3.910   7.706
  983    HD2  TYR 117           HD2      TYR 117 208.227  -7.486   9.965
  984    HE1  TYR 117           HE1      TYR 117 206.267  -3.363   8.144
  985    HE2  TYR 117           HE2      TYR 117 205.871  -6.954  10.412
  986    HH   TYR 117           HH       TYR 117 204.254  -4.279   8.844
  987    H    GLY 118           HN       GLY 118 211.767  -2.737   9.967
  988   1HA   GLY 118          HA2       GLY 118 211.325  -1.571  11.894
  989   2HA   GLY 118          HA1       GLY 118 209.796  -2.435  11.965
  990    H    LEU 119           HN       LEU 119 210.064  -4.799  12.604
  991    HA   LEU 119           HA       LEU 119 210.463  -5.327  15.102
  992   1HB   LEU 119          HB2       LEU 119 211.392  -6.954  12.765
  993   2HB   LEU 119          HB1       LEU 119 211.564  -7.563  14.404
  994    HG   LEU 119           HG       LEU 119 208.879  -6.557  13.877
  995   1HD1  LEU 119          HD11      LEU 119 209.790  -7.594  11.629
  996   2HD1  LEU 119          HD12      LEU 119 208.154  -7.931  12.198
  997   3HD1  LEU 119          HD13      LEU 119 209.441  -9.111  12.457
  998   1HD2  LEU 119          HD21      LEU 119 209.878  -9.263  14.745
  999   2HD2  LEU 119          HD22      LEU 119 208.245  -8.624  14.931
 1000   3HD2  LEU 119          HD23      LEU 119 209.583  -7.897  15.823
  Start of MODEL    5
    1   1H    GLY   1          HT1       GLY   1 207.004 -14.466   6.330
    2   2H    GLY   1          HT2       GLY   1 207.634 -13.768   7.735
    3   3H    GLY   1          HT3       GLY   1 207.464 -12.838   6.333
    4   1HA   GLY   1          HA1       GLY   1 205.339 -12.370   6.727
    5   2HA   GLY   1          HA2       GLY   1 204.996 -14.042   7.146
    6    H    SER   2           HN       SER   2 205.640 -10.885   8.322
    7    HA   SER   2           HA       SER   2 204.725 -11.550  10.932
    8   1HB   SER   2          HB2       SER   2 206.677 -11.252  12.228
    9   2HB   SER   2          HB1       SER   2 207.171 -12.324  10.918
   10    HG   SER   2           HG       SER   2 207.858  -9.670  11.411
   11    H    MET   3           HN       MET   3 203.804  -9.744   9.078
   12    HA   MET   3           HA       MET   3 204.744  -7.127   9.984
   13   1HB   MET   3          HB2       MET   3 202.875  -7.878   7.730
   14   2HB   MET   3          HB1       MET   3 203.312  -6.228   8.154
   15   1HG   MET   3          HG2       MET   3 205.754  -7.177   7.837
   16   2HG   MET   3          HG1       MET   3 204.905  -8.325   6.800
   17   1HE   MET   3          HE1       MET   3 205.172  -3.916   6.787
   18   2HE   MET   3          HE2       MET   3 206.627  -4.563   6.024
   19   3HE   MET   3          HE3       MET   3 206.149  -5.123   7.625
   20    H    LYS   4           HN       LYS   4 203.446  -5.656  11.019
   21    HA   LYS   4           HA       LYS   4 200.831  -6.661  11.939
   22   1HB   LYS   4          HB2       LYS   4 203.019  -5.206  13.364
   23   2HB   LYS   4          HB1       LYS   4 201.357  -4.932  13.865
   24   1HG   LYS   4          HG2       LYS   4 202.356  -6.645  15.230
   25   2HG   LYS   4          HG1       LYS   4 201.086  -7.349  14.226
   26   1HD   LYS   4          HD2       LYS   4 202.579  -8.496  12.904
   27   2HD   LYS   4          HD1       LYS   4 203.894  -7.363  13.224
   28   1HE   LYS   4          HE2       LYS   4 202.865  -8.884  15.540
   29   2HE   LYS   4          HE1       LYS   4 203.748  -9.806  14.325
   30   1HZ   LYS   4          HZ1       LYS   4 205.484  -9.139  15.583
   31   2HZ   LYS   4          HZ2       LYS   4 204.705  -7.752  16.157
   32   3HZ   LYS   4          HZ3       LYS   4 205.388  -7.759  14.609
   33    H    PHE   5           HN       PHE   5 199.932  -5.659  10.018
   34    HA   PHE   5           HA       PHE   5 199.980  -2.745   9.930
   35   1HB   PHE   5          HB2       PHE   5 198.951  -4.869   8.063
   36   2HB   PHE   5          HB1       PHE   5 198.546  -3.173   7.839
   37    HD1  PHE   5           HD1      PHE   5 201.779  -3.522   9.251
   38    HD2  PHE   5           HD2      PHE   5 199.646  -3.736   5.573
   39    HE1  PHE   5           HE1      PHE   5 203.876  -3.185   8.016
   40    HE2  PHE   5           HE2      PHE   5 201.749  -3.395   4.340
   41    HZ   PHE   5           HZ       PHE   5 203.855  -3.125   5.553
   42    H    VAL   6           HN       VAL   6 197.635  -1.920   9.092
   43    HA   VAL   6           HA       VAL   6 195.542  -3.069  10.767
   44    HB   VAL   6           HB       VAL   6 195.053  -0.459  11.295
   45   1HG1  VAL   6          HG11      VAL   6 196.215  -0.955  13.532
   46   2HG1  VAL   6          HG12      VAL   6 196.574  -2.533  12.832
   47   3HG1  VAL   6          HG13      VAL   6 194.900  -2.014  13.021
   48   1HG2  VAL   6          HG21      VAL   6 197.510  -0.192  10.246
   49   2HG2  VAL   6          HG22      VAL   6 197.937  -0.488  11.930
   50   3HG2  VAL   6          HG23      VAL   6 196.878   0.859  11.512
   51    H    TYR   7           HN       TYR   7 195.836   0.073   9.074
   52    HA   TYR   7           HA       TYR   7 193.300   0.168   8.063
   53   1HB   TYR   7          HB2       TYR   7 195.306   1.851   7.844
   54   2HB   TYR   7          HB1       TYR   7 195.521   1.075   6.277
   55    HD1  TYR   7           HD1      TYR   7 194.727   2.459   4.609
   56    HD2  TYR   7           HD2      TYR   7 192.491   2.098   8.209
   57    HE1  TYR   7           HE1      TYR   7 192.969   3.890   3.654
   58    HE2  TYR   7           HE2      TYR   7 190.727   3.525   7.266
   59    HH   TYR   7           HH       TYR   7 190.470   4.235   4.028
   60    H    LYS   8           HN       LYS   8 196.118  -1.243   6.377
   61    HA   LYS   8           HA       LYS   8 194.518  -2.239   4.229
   62   1HB   LYS   8          HB2       LYS   8 196.891  -1.766   3.885
   63   2HB   LYS   8          HB1       LYS   8 197.332  -2.984   5.077
   64   1HG   LYS   8          HG2       LYS   8 197.599  -4.262   3.248
   65   2HG   LYS   8          HG1       LYS   8 195.861  -4.497   3.423
   66   1HD   LYS   8          HD2       LYS   8 196.200  -2.113   1.969
   67   2HD   LYS   8          HD1       LYS   8 197.318  -3.283   1.270
   68   1HE   LYS   8          HE2       LYS   8 194.481  -4.043   1.840
   69   2HE   LYS   8          HE1       LYS   8 194.886  -3.147   0.377
   70   1HZ   LYS   8          HZ1       LYS   8 196.030  -5.770   1.175
   71   2HZ   LYS   8          HZ2       LYS   8 196.433  -4.909  -0.224
   72   3HZ   LYS   8          HZ3       LYS   8 194.868  -5.522  -0.030
   73    H    GLU   9           HN       GLU   9 195.617  -3.477   7.307
   74    HA   GLU   9           HA       GLU   9 195.012  -6.196   6.869
   75   1HB   GLU   9          HB2       GLU   9 195.991  -4.571   8.994
   76   2HB   GLU   9          HB1       GLU   9 194.689  -5.577   9.613
   77   1HG   GLU   9          HG2       GLU   9 196.943  -6.577   9.826
   78   2HG   GLU   9          HG1       GLU   9 195.794  -7.563   8.926
   79    H    GLU  10           HN       GLU  10 193.275  -3.819   8.865
   80    HA   GLU  10           HA       GLU  10 190.982  -5.274   9.334
   81   1HB   GLU  10          HB2       GLU  10 191.203  -2.281   8.950
   82   2HB   GLU  10          HB1       GLU  10 189.872  -3.114   9.741
   83   1HG   GLU  10          HG2       GLU  10 191.814  -4.061  11.250
   84   2HG   GLU  10          HG1       GLU  10 192.631  -2.597  10.704
   85    H    HIS  11           HN       HIS  11 191.499  -2.885   6.726
   86    HA   HIS  11           HA       HIS  11 189.070  -3.043   5.447
   87   1HB   HIS  11          HB2       HIS  11 191.834  -2.422   4.593
   88   2HB   HIS  11          HB1       HIS  11 190.706  -2.825   3.304
   89    HD1  HIS  11           HD1      HIS  11 190.906  -0.435   6.256
   90    HD2  HIS  11           HD2      HIS  11 189.210  -0.726   2.475
   91    HE1  HIS  11           HE1      HIS  11 189.806   1.788   5.840
   92    HE2  HIS  11           HE2      HIS  11 188.706   1.554   3.586
   93    HA   PRO  12           HA       PRO  12 188.850  -7.543   4.729
   94   1HB   PRO  12          HB2       PRO  12 186.740  -6.658   2.885
   95   2HB   PRO  12          HB1       PRO  12 186.656  -7.800   4.225
   96   1HG   PRO  12          HG2       PRO  12 185.755  -5.131   4.216
   97   2HG   PRO  12          HG1       PRO  12 185.876  -6.208   5.612
   98   1HD   PRO  12          HD2       PRO  12 187.398  -3.874   5.099
   99   2HD   PRO  12          HD1       PRO  12 187.628  -5.043   6.407
  100    H    PHE  13           HN       PHE  13 188.625  -8.844   2.654
  101    HA   PHE  13           HA       PHE  13 190.659  -8.025   0.850
  102   1HB   PHE  13          HB2       PHE  13 189.935 -10.427   1.534
  103   2HB   PHE  13          HB1       PHE  13 188.744 -10.254   0.250
  104    HD1  PHE  13           HD1      PHE  13 189.904  -9.154  -1.982
  105    HD2  PHE  13           HD2      PHE  13 191.809 -11.590   0.946
  106    HE1  PHE  13           HE1      PHE  13 191.597  -9.816  -3.638
  107    HE2  PHE  13           HE2      PHE  13 193.507 -12.255  -0.707
  108    HZ   PHE  13           HZ       PHE  13 193.404 -11.369  -3.002
  109    H    GLU  14           HN       GLU  14 187.146  -8.442   0.496
  110    HA   GLU  14           HA       GLU  14 186.910  -7.734  -2.172
  111   1HB   GLU  14          HB2       GLU  14 185.126  -7.817   0.161
  112   2HB   GLU  14          HB1       GLU  14 184.629  -6.674  -1.079
  113   1HG   GLU  14          HG2       GLU  14 184.000  -8.287  -2.485
  114   2HG   GLU  14          HG1       GLU  14 185.406  -9.287  -2.124
  115    H    LYS  15           HN       LYS  15 187.601  -5.764   0.573
  116    HA   LYS  15           HA       LYS  15 186.879  -3.268  -0.634
  117   1HB   LYS  15          HB2       LYS  15 188.711  -3.722   1.722
  118   2HB   LYS  15          HB1       LYS  15 187.826  -2.254   1.323
  119   1HG   LYS  15          HG2       LYS  15 186.232  -4.708   1.711
  120   2HG   LYS  15          HG1       LYS  15 186.989  -4.002   3.136
  121   1HD   LYS  15          HD2       LYS  15 185.993  -1.802   2.430
  122   2HD   LYS  15          HD1       LYS  15 185.058  -2.707   1.235
  123   1HE   LYS  15          HE2       LYS  15 184.243  -4.129   3.167
  124   2HE   LYS  15          HE1       LYS  15 184.954  -2.919   4.233
  125   1HZ   LYS  15          HZ1       LYS  15 183.509  -1.372   2.624
  126   2HZ   LYS  15          HZ2       LYS  15 182.916  -2.016   4.070
  127   3HZ   LYS  15          HZ3       LYS  15 182.558  -2.771   2.600
  128    H    ARG  16           HN       ARG  16 190.089  -4.358   0.495
  129    HA   ARG  16           HA       ARG  16 191.579  -2.565  -0.994
  130   1HB   ARG  16          HB2       ARG  16 193.410  -4.374  -0.868
  131   2HB   ARG  16          HB1       ARG  16 192.785  -3.719   0.638
  132   1HG   ARG  16          HG2       ARG  16 191.142  -5.861   0.249
  133   2HG   ARG  16          HG1       ARG  16 192.663  -6.438  -0.429
  134   1HD   ARG  16          HD2       ARG  16 193.819  -5.878   1.636
  135   2HD   ARG  16          HD1       ARG  16 192.325  -5.238   2.316
  136    HE   ARG  16           HE       ARG  16 191.634  -7.383   2.749
  137   1HH1  ARG  16          HH11      ARG  16 194.396  -7.475   0.615
  138   2HH1  ARG  16          HH12      ARG  16 194.601  -9.188   0.752
  139   1HH2  ARG  16          HH21      ARG  16 191.904  -9.637   2.929
  140   2HH2  ARG  16          HH22      ARG  16 193.187 -10.416   2.064
  141    H    ARG  17           HN       ARG  17 190.041  -5.523  -1.974
  142    HA   ARG  17           HA       ARG  17 191.425  -5.766  -4.476
  143   1HB   ARG  17          HB2       ARG  17 190.408  -7.705  -3.319
  144   2HB   ARG  17          HB1       ARG  17 188.815  -7.009  -3.588
  145   1HG   ARG  17          HG2       ARG  17 189.136  -7.185  -6.000
  146   2HG   ARG  17          HG1       ARG  17 190.742  -7.870  -5.737
  147   1HD   ARG  17          HD2       ARG  17 189.607  -9.688  -4.400
  148   2HD   ARG  17          HD1       ARG  17 188.076  -9.064  -5.012
  149    HE   ARG  17           HE       ARG  17 189.943 -10.687  -6.419
  150   1HH1  ARG  17          HH11      ARG  17 187.599  -8.136  -6.838
  151   2HH1  ARG  17          HH12      ARG  17 187.278  -8.532  -8.493
  152   1HH2  ARG  17          HH21      ARG  17 189.522 -11.211  -8.595
  153   2HH2  ARG  17          HH22      ARG  17 188.369 -10.278  -9.491
  154    H    SER  18           HN       SER  18 188.156  -4.741  -3.515
  155    HA   SER  18           HA       SER  18 187.103  -4.102  -5.956
  156   1HB   SER  18          HB2       SER  18 185.640  -3.982  -4.114
  157   2HB   SER  18          HB1       SER  18 186.701  -2.882  -3.233
  158    HG   SER  18           HG       SER  18 185.429  -1.412  -4.042
  159    H    GLU  19           HN       GLU  19 188.490  -1.662  -3.760
  160    HA   GLU  19           HA       GLU  19 188.615   0.467  -5.468
  161   1HB   GLU  19          HB2       GLU  19 189.730  -0.230  -2.959
  162   2HB   GLU  19          HB1       GLU  19 191.017   0.468  -3.930
  163   1HG   GLU  19          HG2       GLU  19 190.080   2.520  -3.953
  164   2HG   GLU  19          HG1       GLU  19 188.434   1.890  -3.923
  165    H    GLY  20           HN       GLY  20 191.113  -2.024  -5.031
  166   1HA   GLY  20          HA2       GLY  20 192.997  -0.993  -6.815
  167   2HA   GLY  20          HA1       GLY  20 192.834  -2.691  -6.395
  168    H    GLU  21           HN       GLU  21 190.488  -3.448  -7.441
  169    HA   GLU  21           HA       GLU  21 191.006  -3.928 -10.091
  170   1HB   GLU  21          HB2       GLU  21 189.442  -5.317  -9.076
  171   2HB   GLU  21          HB1       GLU  21 188.484  -3.970  -8.476
  172   1HG   GLU  21          HG2       GLU  21 187.336  -3.754 -10.394
  173   2HG   GLU  21          HG1       GLU  21 188.713  -4.203 -11.398
  174    H    LYS  22           HN       LYS  22 189.665  -1.072  -8.669
  175    HA   LYS  22           HA       LYS  22 188.704  -0.103 -11.243
  176   1HB   LYS  22          HB2       LYS  22 187.162   0.533  -9.657
  177   2HB   LYS  22          HB1       LYS  22 188.375   0.739  -8.401
  178   1HG   LYS  22          HG2       LYS  22 188.453   2.634 -10.675
  179   2HG   LYS  22          HG1       LYS  22 187.108   2.782  -9.541
  180   1HD   LYS  22          HD2       LYS  22 189.491   2.427  -8.032
  181   2HD   LYS  22          HD1       LYS  22 189.798   3.672  -9.244
  182   1HE   LYS  22          HE2       LYS  22 188.786   5.102  -7.870
  183   2HE   LYS  22          HE1       LYS  22 187.277   4.285  -8.269
  184   1HZ   LYS  22          HZ1       LYS  22 188.869   4.155  -5.849
  185   2HZ   LYS  22          HZ2       LYS  22 188.228   2.680  -6.372
  186   3HZ   LYS  22          HZ3       LYS  22 187.198   3.984  -6.058
  187    H    ILE  23           HN       ILE  23 191.043   0.776  -8.736
  188    HA   ILE  23           HA       ILE  23 192.160   3.004 -10.018
  189    HB   ILE  23           HB       ILE  23 193.227   1.062  -7.984
  190   1HG1  ILE  23          HG12      ILE  23 192.719   3.987  -7.590
  191   2HG1  ILE  23          HG11      ILE  23 191.372   2.853  -7.595
  192   1HG2  ILE  23          HG21      ILE  23 194.623   3.622  -8.669
  193   2HG2  ILE  23          HG22      ILE  23 195.066   2.097  -9.431
  194   3HG2  ILE  23          HG23      ILE  23 195.199   2.284  -7.684
  195   1HD1  ILE  23          HD11      ILE  23 193.158   3.498  -5.490
  196   2HD1  ILE  23          HD12      ILE  23 193.353   1.792  -5.895
  197   3HD1  ILE  23          HD13      ILE  23 191.761   2.422  -5.471
  198    H    ARG  24           HN       ARG  24 192.546  -0.402 -10.529
  199    HA   ARG  24           HA       ARG  24 194.987  -0.188 -12.045
  200   1HB   ARG  24          HB2       ARG  24 193.009  -2.440 -11.656
  201   2HB   ARG  24          HB1       ARG  24 194.491  -2.593 -12.591
  202   1HG   ARG  24          HG2       ARG  24 194.208  -2.113  -9.641
  203   2HG   ARG  24          HG1       ARG  24 194.927  -3.501 -10.454
  204   1HD   ARG  24          HD2       ARG  24 196.012  -0.736 -10.097
  205   2HD   ARG  24          HD1       ARG  24 196.773  -2.285  -9.744
  206    HE   ARG  24           HE       ARG  24 196.892  -0.854 -12.191
  207   1HH1  ARG  24          HH11      ARG  24 196.744  -4.093 -10.898
  208   2HH1  ARG  24          HH12      ARG  24 197.530  -4.808 -12.265
  209   1HH2  ARG  24          HH21      ARG  24 197.928  -1.793 -13.987
  210   2HH2  ARG  24          HH22      ARG  24 198.204  -3.504 -14.018
  211    H    LYS  25           HN       LYS  25 191.551  -0.640 -12.706
  212    HA   LYS  25           HA       LYS  25 191.834  -0.832 -15.534
  213   1HB   LYS  25          HB2       LYS  25 189.461  -0.229 -13.774
  214   2HB   LYS  25          HB1       LYS  25 189.362  -0.573 -15.501
  215   1HG   LYS  25          HG2       LYS  25 190.175  -2.800 -15.166
  216   2HG   LYS  25          HG1       LYS  25 190.519  -2.466 -13.467
  217   1HD   LYS  25          HD2       LYS  25 188.470  -3.714 -13.597
  218   2HD   LYS  25          HD1       LYS  25 188.081  -2.056 -13.128
  219   1HE   LYS  25          HE2       LYS  25 187.966  -1.949 -15.866
  220   2HE   LYS  25          HE1       LYS  25 187.337  -3.559 -15.520
  221   1HZ   LYS  25          HZ1       LYS  25 185.766  -1.498 -15.547
  222   2HZ   LYS  25          HZ2       LYS  25 186.326  -1.284 -13.967
  223   3HZ   LYS  25          HZ3       LYS  25 185.547  -2.722 -14.399
  224    H    LYS  26           HN       LYS  26 191.028   1.752 -13.281
  225    HA   LYS  26           HA       LYS  26 190.499   3.667 -15.327
  226   1HB   LYS  26          HB2       LYS  26 189.762   3.518 -12.768
  227   2HB   LYS  26          HB1       LYS  26 191.164   4.565 -12.589
  228   1HG   LYS  26          HG2       LYS  26 190.235   6.219 -13.975
  229   2HG   LYS  26          HG1       LYS  26 188.984   5.122 -14.568
  230   1HD   LYS  26          HD2       LYS  26 187.720   5.313 -12.670
  231   2HD   LYS  26          HD1       LYS  26 189.113   5.670 -11.649
  232   1HE   LYS  26          HE2       LYS  26 188.312   7.771 -11.712
  233   2HE   LYS  26          HE1       LYS  26 189.126   7.828 -13.275
  234   1HZ   LYS  26          HZ1       LYS  26 187.125   7.458 -14.402
  235   2HZ   LYS  26          HZ2       LYS  26 186.729   8.585 -13.205
  236   3HZ   LYS  26          HZ3       LYS  26 186.310   6.959 -13.006
  237    H    TYR  27           HN       TYR  27 193.208   2.817 -13.282
  238    HA   TYR  27           HA       TYR  27 194.873   4.705 -14.814
  239   1HB   TYR  27          HB2       TYR  27 195.712   3.904 -12.070
  240   2HB   TYR  27          HB1       TYR  27 196.009   5.404 -12.938
  241    HD1  TYR  27           HD1      TYR  27 194.786   4.556 -10.051
  242    HD2  TYR  27           HD2      TYR  27 193.259   6.228 -13.647
  243    HE1  TYR  27           HE1      TYR  27 192.978   5.625  -8.773
  244    HE2  TYR  27           HE2      TYR  27 191.446   7.307 -12.383
  245    HH   TYR  27           HH       TYR  27 190.303   6.583  -9.825
  246    HA   PRO  28           HA       PRO  28 196.641   0.581 -15.638
  247   1HB   PRO  28          HB2       PRO  28 197.550   1.753 -18.138
  248   2HB   PRO  28          HB1       PRO  28 196.391   0.447 -17.883
  249   1HG   PRO  28          HG2       PRO  28 195.677   2.896 -18.821
  250   2HG   PRO  28          HG1       PRO  28 194.592   1.872 -17.864
  251   1HD   PRO  28          HD2       PRO  28 196.247   4.212 -16.992
  252   2HD   PRO  28          HD1       PRO  28 194.573   3.793 -16.564
  253    H    ASP  29           HN       ASP  29 198.024   3.717 -15.426
  254    HA   ASP  29           HA       ASP  29 200.740   2.594 -15.532
  255   1HB   ASP  29          HB2       ASP  29 199.869   5.485 -15.706
  256   2HB   ASP  29          HB1       ASP  29 201.523   4.897 -15.849
  257    H    ARG  30           HN       ARG  30 198.506   3.026 -13.276
  258    HA   ARG  30           HA       ARG  30 200.442   3.980 -11.264
  259   1HB   ARG  30          HB2       ARG  30 197.433   4.254 -11.288
  260   2HB   ARG  30          HB1       ARG  30 198.446   4.648  -9.909
  261   1HG   ARG  30          HG2       ARG  30 199.484   6.013 -12.164
  262   2HG   ARG  30          HG1       ARG  30 197.739   6.272 -12.117
  263   1HD   ARG  30          HD2       ARG  30 197.934   6.950  -9.757
  264   2HD   ARG  30          HD1       ARG  30 199.685   6.770  -9.872
  265    HE   ARG  30           HE       ARG  30 198.134   8.980 -10.767
  266   1HH1  ARG  30          HH11      ARG  30 200.993   7.115 -11.497
  267   2HH1  ARG  30          HH12      ARG  30 201.784   8.419 -12.317
  268   1HH2  ARG  30          HH21      ARG  30 199.176  10.695 -11.844
  269   2HH2  ARG  30          HH22      ARG  30 200.755  10.451 -12.512
  270    H    VAL  31           HN       VAL  31 200.218   3.035  -9.121
  271    HA   VAL  31           HA       VAL  31 198.903   0.414  -9.101
  272    HB   VAL  31           HB       VAL  31 200.759  -0.656  -8.015
  273   1HG1  VAL  31          HG11      VAL  31 202.346   0.561 -10.135
  274   2HG1  VAL  31          HG12      VAL  31 200.725   0.088 -10.645
  275   3HG1  VAL  31          HG13      VAL  31 201.807  -1.106  -9.928
  276   1HG2  VAL  31          HG21      VAL  31 201.707   2.070  -7.615
  277   2HG2  VAL  31          HG22      VAL  31 202.963   0.990  -8.218
  278   3HG2  VAL  31          HG23      VAL  31 202.098   0.589  -6.733
  279    HA   PRO  32           HA       PRO  32 197.298   2.325  -5.365
  280   1HB   PRO  32          HB2       PRO  32 195.859   0.138  -4.552
  281   2HB   PRO  32          HB1       PRO  32 195.280   1.311  -5.739
  282   1HG   PRO  32          HG2       PRO  32 196.526  -1.368  -6.175
  283   2HG   PRO  32          HG1       PRO  32 195.157  -0.623  -7.019
  284   1HD   PRO  32          HD2       PRO  32 197.630  -0.708  -8.088
  285   2HD   PRO  32          HD1       PRO  32 196.533   0.661  -8.364
  286    H    VAL  33           HN       VAL  33 198.920   2.518  -3.935
  287    HA   VAL  33           HA       VAL  33 200.011   0.076  -2.727
  288    HB   VAL  33           HB       VAL  33 201.202   2.842  -2.911
  289   1HG1  VAL  33          HG11      VAL  33 203.253   1.741  -1.985
  290   2HG1  VAL  33          HG12      VAL  33 202.245   0.356  -1.575
  291   3HG1  VAL  33          HG13      VAL  33 201.923   1.924  -0.841
  292   1HG2  VAL  33          HG21      VAL  33 202.881   1.731  -4.337
  293   2HG2  VAL  33          HG22      VAL  33 201.256   1.664  -5.019
  294   3HG2  VAL  33          HG23      VAL  33 201.950   0.231  -4.243
  295    H    ILE  34           HN       ILE  34 200.309  -0.076  -0.508
  296    HA   ILE  34           HA       ILE  34 198.981   1.959   1.138
  297    HB   ILE  34           HB       ILE  34 198.588  -1.021   1.291
  298   1HG1  ILE  34          HG12      ILE  34 197.134   0.522  -0.155
  299   2HG1  ILE  34          HG11      ILE  34 196.303  -0.553   0.962
  300   1HG2  ILE  34          HG21      ILE  34 197.110   0.081   3.354
  301   2HG2  ILE  34          HG22      ILE  34 198.671   0.892   3.471
  302   3HG2  ILE  34          HG23      ILE  34 198.586  -0.867   3.514
  303   1HD1  ILE  34          HD11      ILE  34 196.943   2.109   2.024
  304   2HD1  ILE  34          HD12      ILE  34 195.473   1.144   2.172
  305   3HD1  ILE  34          HD13      ILE  34 195.775   2.071   0.702
  306    H    VAL  35           HN       VAL  35 200.963   2.810   1.738
  307    HA   VAL  35           HA       VAL  35 203.098   1.217   2.767
  308    HB   VAL  35           HB       VAL  35 202.688   4.195   3.032
  309   1HG1  VAL  35          HG11      VAL  35 205.366   3.756   2.816
  310   2HG1  VAL  35          HG12      VAL  35 204.846   2.355   3.755
  311   3HG1  VAL  35          HG13      VAL  35 204.494   3.986   4.332
  312   1HG2  VAL  35          HG21      VAL  35 203.445   4.521   0.928
  313   2HG2  VAL  35          HG22      VAL  35 202.756   2.916   0.676
  314   3HG2  VAL  35          HG23      VAL  35 204.486   3.097   0.965
  315    H    GLU  36           HN       GLU  36 203.851   1.027   4.877
  316    HA   GLU  36           HA       GLU  36 202.087   1.972   7.034
  317   1HB   GLU  36          HB2       GLU  36 202.961  -0.823   6.430
  318   2HB   GLU  36          HB1       GLU  36 202.838  -0.339   8.115
  319   1HG   GLU  36          HG2       GLU  36 200.748  -1.187   7.757
  320   2HG   GLU  36          HG1       GLU  36 200.477   0.515   7.400
  321    H    LYS  37           HN       LYS  37 203.130   2.125   9.129
  322    HA   LYS  37           HA       LYS  37 206.006   2.642   8.860
  323   1HB   LYS  37          HB2       LYS  37 204.320   4.394   9.771
  324   2HB   LYS  37          HB1       LYS  37 204.327   3.425  11.238
  325   1HG   LYS  37          HG2       LYS  37 207.031   3.890  10.510
  326   2HG   LYS  37          HG1       LYS  37 206.172   5.426  10.415
  327   1HD   LYS  37          HD2       LYS  37 206.999   5.223  12.634
  328   2HD   LYS  37          HD1       LYS  37 205.255   4.959  12.699
  329   1HE   LYS  37          HE2       LYS  37 205.480   2.694  13.079
  330   2HE   LYS  37          HE1       LYS  37 207.104   2.643  12.390
  331   1HZ   LYS  37          HZ1       LYS  37 206.254   3.308  15.089
  332   2HZ   LYS  37          HZ2       LYS  37 207.509   4.251  14.460
  333   3HZ   LYS  37          HZ3       LYS  37 207.679   2.571  14.552
  334    H    ALA  38           HN       ALA  38 206.830   0.618   9.064
  335    HA   ALA  38           HA       ALA  38 206.261  -1.550  10.469
  336   1HB   ALA  38          HB1       ALA  38 208.314  -1.156   9.111
  337   2HB   ALA  38          HB2       ALA  38 208.570  -2.095  10.581
  338   3HB   ALA  38          HB3       ALA  38 209.034  -0.393  10.533
  339    HA   PRO  39           HA       PRO  39 205.986  -0.888  14.816
  340   1HB   PRO  39          HB2       PRO  39 206.989  -3.300  15.668
  341   2HB   PRO  39          HB1       PRO  39 205.333  -3.060  15.094
  342   1HG   PRO  39          HG2       PRO  39 207.717  -4.105  13.638
  343   2HG   PRO  39          HG1       PRO  39 206.044  -4.682  13.599
  344   1HD   PRO  39          HD2       PRO  39 207.065  -3.193  11.631
  345   2HD   PRO  39          HD1       PRO  39 205.376  -3.011  12.151
  346    H    LYS  40           HN       LYS  40 207.264  -0.258  16.520
  347    HA   LYS  40           HA       LYS  40 209.109   0.370  17.675
  348   1HB   LYS  40          HB2       LYS  40 210.317  -1.929  16.146
  349   2HB   LYS  40          HB1       LYS  40 211.195  -1.019  17.365
  350   1HG   LYS  40          HG2       LYS  40 210.405  -2.878  18.512
  351   2HG   LYS  40          HG1       LYS  40 209.256  -1.606  18.929
  352   1HD   LYS  40          HD2       LYS  40 207.678  -2.445  17.301
  353   2HD   LYS  40          HD1       LYS  40 208.838  -3.657  16.750
  354   1HE   LYS  40          HE2       LYS  40 208.817  -4.372  19.270
  355   2HE   LYS  40          HE1       LYS  40 207.262  -3.539  19.284
  356   1HZ   LYS  40          HZ1       LYS  40 206.786  -5.762  18.784
  357   2HZ   LYS  40          HZ2       LYS  40 208.058  -5.894  17.678
  358   3HZ   LYS  40          HZ3       LYS  40 206.698  -4.967  17.292
  359    H    ALA  41           HN       ALA  41 208.882   0.819  14.367
  360    HA   ALA  41           HA       ALA  41 211.350   1.715  13.556
  361   1HB   ALA  41          HB1       ALA  41 209.149   1.526  12.216
  362   2HB   ALA  41          HB2       ALA  41 210.293   2.803  11.798
  363   3HB   ALA  41          HB3       ALA  41 208.866   3.184  12.759
  364    H    ARG  42           HN       ARG  42 212.461   3.587  13.785
  365    HA   ARG  42           HA       ARG  42 211.702   5.283  16.017
  366   1HB   ARG  42          HB2       ARG  42 214.247   5.511  14.423
  367   2HB   ARG  42          HB1       ARG  42 213.951   6.028  16.077
  368   1HG   ARG  42          HG2       ARG  42 214.358   3.986  16.931
  369   2HG   ARG  42          HG1       ARG  42 213.616   3.147  15.567
  370   1HD   ARG  42          HD2       ARG  42 215.573   3.483  14.221
  371   2HD   ARG  42          HD1       ARG  42 216.299   4.515  15.452
  372    HE   ARG  42           HE       ARG  42 216.249   1.639  15.405
  373   1HH1  ARG  42          HH11      ARG  42 216.547   4.468  17.429
  374   2HH1  ARG  42          HH12      ARG  42 217.401   3.634  18.683
  375   1HH2  ARG  42          HH21      ARG  42 217.372   0.542  17.053
  376   2HH2  ARG  42          HH22      ARG  42 217.871   1.404  18.469
  377    H    ILE  43           HN       ILE  43 210.191   5.467  13.694
  378    HA   ILE  43           HA       ILE  43 210.724   8.238  12.862
  379    HB   ILE  43           HB       ILE  43 209.473   7.439  10.725
  380   1HG1  ILE  43          HG12      ILE  43 210.644   4.853  11.753
  381   2HG1  ILE  43          HG11      ILE  43 208.929   5.210  11.560
  382   1HG2  ILE  43          HG21      ILE  43 212.306   7.294  11.487
  383   2HG2  ILE  43          HG22      ILE  43 211.530   8.166  10.166
  384   3HG2  ILE  43          HG23      ILE  43 211.873   6.445  10.003
  385   1HD1  ILE  43          HD11      ILE  43 209.141   4.198   9.605
  386   2HD1  ILE  43          HD12      ILE  43 210.901   4.360   9.599
  387   3HD1  ILE  43          HD13      ILE  43 209.891   5.705   9.071
  388    H    GLY  44           HN       GLY  44 208.728   9.275  11.949
  389   1HA   GLY  44          HA2       GLY  44 206.623   9.112  13.861
  390   2HA   GLY  44          HA1       GLY  44 206.629  10.104  12.410
  391    H    ASP  45           HN       ASP  45 204.493   8.435  13.629
  392    HA   ASP  45           HA       ASP  45 204.120   6.237  11.797
  393   1HB   ASP  45          HB2       ASP  45 202.156   7.408  13.774
  394   2HB   ASP  45          HB1       ASP  45 202.053   5.832  12.992
  395    H    LEU  46           HN       LEU  46 203.026   6.243   9.947
  396    HA   LEU  46           HA       LEU  46 202.021   8.744   8.925
  397   1HB   LEU  46          HB2       LEU  46 203.030   6.294   7.843
  398   2HB   LEU  46          HB1       LEU  46 201.462   6.627   7.132
  399    HG   LEU  46           HG       LEU  46 203.281   8.932   7.214
  400   1HD1  LEU  46          HD11      LEU  46 203.970   6.428   5.725
  401   2HD1  LEU  46          HD12      LEU  46 205.016   7.480   6.679
  402   3HD1  LEU  46          HD13      LEU  46 204.428   8.015   5.105
  403   1HD2  LEU  46          HD21      LEU  46 202.444   9.135   4.879
  404   2HD2  LEU  46          HD22      LEU  46 201.166   9.085   6.093
  405   3HD2  LEU  46          HD23      LEU  46 201.521   7.651   5.127
  406    H    ASP  47           HN       ASP  47 199.948   9.126   8.146
  407    HA   ASP  47           HA       ASP  47 197.857   7.433   9.341
  408   1HB   ASP  47          HB2       ASP  47 196.416   9.451   9.221
  409   2HB   ASP  47          HB1       ASP  47 197.842   9.701  10.222
  410    H    LYS  48           HN       LYS  48 199.171   8.667   6.418
  411    HA   LYS  48           HA       LYS  48 196.807   7.948   4.854
  412   1HB   LYS  48          HB2       LYS  48 197.792  10.069   4.281
  413   2HB   LYS  48          HB1       LYS  48 199.388   9.350   4.143
  414   1HG   LYS  48          HG2       LYS  48 197.798   7.932   2.343
  415   2HG   LYS  48          HG1       LYS  48 197.315   9.618   2.165
  416   1HD   LYS  48          HD2       LYS  48 200.138   9.588   2.341
  417   2HD   LYS  48          HD1       LYS  48 199.677   8.308   1.217
  418   1HE   LYS  48          HE2       LYS  48 200.056  10.543   0.160
  419   2HE   LYS  48          HE1       LYS  48 198.472   9.835  -0.155
  420   1HZ   LYS  48          HZ1       LYS  48 197.424  11.357   1.184
  421   2HZ   LYS  48          HZ2       LYS  48 198.665  12.308   0.540
  422   3HZ   LYS  48          HZ3       LYS  48 198.805  11.685   2.106
  423    H    LYS  49           HN       LYS  49 196.922   5.679   5.095
  424    HA   LYS  49           HA       LYS  49 199.255   4.177   4.527
  425   1HB   LYS  49          HB2       LYS  49 196.350   3.530   4.857
  426   2HB   LYS  49          HB1       LYS  49 197.417   2.302   4.181
  427   1HG   LYS  49          HG2       LYS  49 198.569   3.481   6.547
  428   2HG   LYS  49          HG1       LYS  49 196.954   2.846   6.869
  429   1HD   LYS  49          HD2       LYS  49 197.989   0.841   5.384
  430   2HD   LYS  49          HD1       LYS  49 199.446   1.438   6.177
  431   1HE   LYS  49          HE2       LYS  49 196.934   0.374   7.443
  432   2HE   LYS  49          HE1       LYS  49 198.568  -0.264   7.570
  433   1HZ   LYS  49          HZ1       LYS  49 198.844   0.956   9.380
  434   2HZ   LYS  49          HZ2       LYS  49 197.301   1.629   9.214
  435   3HZ   LYS  49          HZ3       LYS  49 198.630   2.371   8.479
  436    H    LYS  50           HN       LYS  50 196.355   4.885   2.594
  437    HA   LYS  50           HA       LYS  50 197.166   3.446   0.312
  438   1HB   LYS  50          HB2       LYS  50 194.832   4.170   0.839
  439   2HB   LYS  50          HB1       LYS  50 195.292   5.810   0.406
  440   1HG   LYS  50          HG2       LYS  50 194.639   5.319  -1.656
  441   2HG   LYS  50          HG1       LYS  50 196.081   4.313  -1.778
  442   1HD   LYS  50          HD2       LYS  50 194.063   3.085  -2.427
  443   2HD   LYS  50          HD1       LYS  50 194.820   2.381  -0.997
  444   1HE   LYS  50          HE2       LYS  50 192.976   4.334  -0.106
  445   2HE   LYS  50          HE1       LYS  50 192.158   3.356  -1.324
  446   1HZ   LYS  50          HZ1       LYS  50 192.209   1.535  -0.022
  447   2HZ   LYS  50          HZ2       LYS  50 192.318   2.667   1.229
  448   3HZ   LYS  50          HZ3       LYS  50 193.714   1.903   0.656
  449    H    TYR  51           HN       TYR  51 198.056   4.038  -1.605
  450    HA   TYR  51           HA       TYR  51 199.021   6.740  -2.045
  451   1HB   TYR  51          HB2       TYR  51 200.840   4.374  -1.632
  452   2HB   TYR  51          HB1       TYR  51 201.338   5.763  -2.589
  453    HD1  TYR  51           HD1      TYR  51 200.634   4.510   0.746
  454    HD2  TYR  51           HD2      TYR  51 201.728   7.926  -1.528
  455    HE1  TYR  51           HE1      TYR  51 201.346   5.646   2.811
  456    HE2  TYR  51           HE2      TYR  51 202.443   9.076   0.522
  457    HH   TYR  51           HH       TYR  51 203.254   8.348   2.853
  458    H    LEU  52           HN       LEU  52 198.588   7.184  -4.118
  459    HA   LEU  52           HA       LEU  52 198.304   4.941  -5.982
  460   1HB   LEU  52          HB2       LEU  52 196.655   7.038  -5.585
  461   2HB   LEU  52          HB1       LEU  52 197.665   7.703  -6.854
  462    HG   LEU  52           HG       LEU  52 197.063   5.908  -8.358
  463   1HD1  LEU  52          HD11      LEU  52 196.392   4.554  -5.941
  464   2HD1  LEU  52          HD12      LEU  52 196.477   3.917  -7.583
  465   3HD1  LEU  52          HD13      LEU  52 194.968   4.602  -6.981
  466   1HD2  LEU  52          HD21      LEU  52 194.374   6.496  -7.343
  467   2HD2  LEU  52          HD22      LEU  52 195.094   6.825  -8.919
  468   3HD2  LEU  52          HD23      LEU  52 195.404   7.910  -7.565
  469    H    VAL  53           HN       VAL  53 200.673   4.784  -5.836
  470    HA   VAL  53           HA       VAL  53 202.226   6.790  -7.221
  471    HB   VAL  53           HB       VAL  53 204.069   5.027  -6.967
  472   1HG1  VAL  53          HG11      VAL  53 204.597   5.811  -4.832
  473   2HG1  VAL  53          HG12      VAL  53 202.903   5.937  -4.358
  474   3HG1  VAL  53          HG13      VAL  53 203.583   7.079  -5.517
  475   1HG2  VAL  53          HG21      VAL  53 202.789   3.767  -4.714
  476   2HG2  VAL  53          HG22      VAL  53 203.620   3.040  -6.088
  477   3HG2  VAL  53          HG23      VAL  53 201.909   3.437  -6.205
  478    HA   PRO  54           HA       PRO  54 202.027   5.168 -11.323
  479   1HB   PRO  54          HB2       PRO  54 204.947   5.621 -11.490
  480   2HB   PRO  54          HB1       PRO  54 203.648   6.287 -12.485
  481   1HG   PRO  54          HG2       PRO  54 204.939   7.798 -10.693
  482   2HG   PRO  54          HG1       PRO  54 203.202   7.998 -10.992
  483   1HD   PRO  54          HD2       PRO  54 204.591   6.635  -8.722
  484   2HD   PRO  54          HD1       PRO  54 203.129   7.643  -8.711
  485    H    SER  55           HN       SER  55 203.727   3.766 -12.751
  486    HA   SER  55           HA       SER  55 204.282   1.388 -11.102
  487   1HB   SER  55          HB2       SER  55 203.722   0.008 -12.922
  488   2HB   SER  55          HB1       SER  55 202.531   1.305 -13.013
  489    HG   SER  55           HG       SER  55 204.729   0.777 -14.662
  490    H    ASP  56           HN       ASP  56 205.711   3.837 -12.963
  491    HA   ASP  56           HA       ASP  56 208.125   2.258 -13.457
  492   1HB   ASP  56          HB2       ASP  56 207.479   5.083 -14.335
  493   2HB   ASP  56          HB1       ASP  56 208.858   4.117 -14.850
  494    H    LEU  57           HN       LEU  57 206.756   4.212 -11.138
  495    HA   LEU  57           HA       LEU  57 208.862   5.839 -10.313
  496   1HB   LEU  57          HB2       LEU  57 206.563   6.083  -9.499
  497   2HB   LEU  57          HB1       LEU  57 206.713   4.567  -8.628
  498    HG   LEU  57           HG       LEU  57 208.804   5.861  -7.574
  499   1HD1  LEU  57          HD11      LEU  57 208.264   7.859  -8.995
  500   2HD1  LEU  57          HD12      LEU  57 208.416   8.168  -7.266
  501   3HD1  LEU  57          HD13      LEU  57 206.819   8.071  -8.009
  502   1HD2  LEU  57          HD21      LEU  57 205.962   5.599  -6.820
  503   2HD2  LEU  57          HD22      LEU  57 206.917   6.756  -5.893
  504   3HD2  LEU  57          HD23      LEU  57 207.416   5.067  -5.975
  505    H    THR  58           HN       THR  58 210.833   5.203  -9.790
  506    HA   THR  58           HA       THR  58 211.462   2.546  -8.983
  507    HB   THR  58           HB       THR  58 213.699   3.916  -8.340
  508    HG1  THR  58           HG1      THR  58 212.629   5.448 -10.450
  509   1HG2  THR  58          HG21      THR  58 212.801   2.444 -10.583
  510   2HG2  THR  58          HG22      THR  58 214.453   2.719 -10.029
  511   3HG2  THR  58          HG23      THR  58 213.705   3.842 -11.166
  512    H    VAL  59           HN       VAL  59 212.068   1.744  -7.018
  513    HA   VAL  59           HA       VAL  59 210.740   2.502  -4.754
  514    HB   VAL  59           HB       VAL  59 213.288   0.975  -5.148
  515   1HG1  VAL  59          HG11      VAL  59 213.129   0.314  -2.726
  516   2HG1  VAL  59          HG12      VAL  59 212.004   1.655  -2.505
  517   3HG1  VAL  59          HG13      VAL  59 213.665   1.970  -3.011
  518   1HG2  VAL  59          HG21      VAL  59 210.713   0.270  -5.492
  519   2HG2  VAL  59          HG22      VAL  59 210.943  -0.194  -3.807
  520   3HG2  VAL  59          HG23      VAL  59 211.992  -0.864  -5.057
  521    H    GLY  60           HN       GLY  60 213.847   3.670  -5.928
  522   1HA   GLY  60          HA2       GLY  60 214.673   5.070  -3.632
  523   2HA   GLY  60          HA1       GLY  60 215.140   5.461  -5.284
  524    H    GLN  61           HN       GLN  61 212.520   5.935  -6.270
  525    HA   GLN  61           HA       GLN  61 212.179   8.662  -5.514
  526   1HB   GLN  61          HB2       GLN  61 210.472   6.854  -7.221
  527   2HB   GLN  61          HB1       GLN  61 210.264   8.596  -7.071
  528   1HG   GLN  61          HG2       GLN  61 212.576   8.884  -7.892
  529   2HG   GLN  61          HG1       GLN  61 212.639   7.148  -8.191
  530   1HE2  GLN  61          HE21      GLN  61 210.012   6.807  -9.111
  531   2HE2  GLN  61          HE22      GLN  61 209.871   7.554 -10.663
  532    H    PHE  62           HN       PHE  62 210.282   5.697  -5.069
  533    HA   PHE  62           HA       PHE  62 208.088   6.701  -3.734
  534   1HB   PHE  62          HB2       PHE  62 208.605   4.288  -4.459
  535   2HB   PHE  62          HB1       PHE  62 209.414   4.128  -2.905
  536    HD1  PHE  62           HD1      PHE  62 208.070   2.690  -1.675
  537    HD2  PHE  62           HD2      PHE  62 206.300   5.939  -3.768
  538    HE1  PHE  62           HE1      PHE  62 205.904   2.191  -0.615
  539    HE2  PHE  62           HE2      PHE  62 204.133   5.445  -2.715
  540    HZ   PHE  62           HZ       PHE  62 203.934   3.570  -1.144
  541    H    TYR  63           HN       TYR  63 211.252   5.828  -2.414
  542    HA   TYR  63           HA       TYR  63 210.780   6.120   0.298
  543   1HB   TYR  63          HB2       TYR  63 213.143   6.405  -1.475
  544   2HB   TYR  63          HB1       TYR  63 213.278   7.113   0.132
  545    HD1  TYR  63           HD1      TYR  63 212.447   5.463   2.077
  546    HD2  TYR  63           HD2      TYR  63 213.854   4.268  -1.748
  547    HE1  TYR  63           HE1      TYR  63 213.029   3.268   2.992
  548    HE2  TYR  63           HE2      TYR  63 214.437   2.053  -0.848
  549    HH   TYR  63           HH       TYR  63 215.044   1.237   1.774
  550    H    PHE  64           HN       PHE  64 212.417   8.548  -1.641
  551    HA   PHE  64           HA       PHE  64 212.368  10.721  -0.055
  552   1HB   PHE  64          HB2       PHE  64 213.437  11.022  -2.092
  553   2HB   PHE  64          HB1       PHE  64 212.083  10.381  -3.011
  554    HD1  PHE  64           HD1      PHE  64 213.217  13.331  -1.075
  555    HD2  PHE  64           HD2      PHE  64 210.519  11.795  -3.986
  556    HE1  PHE  64           HE1      PHE  64 212.492  15.622  -1.603
  557    HE2  PHE  64           HE2      PHE  64 209.787  14.086  -4.520
  558    HZ   PHE  64           HZ       PHE  64 210.776  16.002  -3.328
  559    H    LEU  65           HN       LEU  65 209.578   9.504  -1.867
  560    HA   LEU  65           HA       LEU  65 207.933  11.743  -1.275
  561   1HB   LEU  65          HB2       LEU  65 206.563  10.812  -2.742
  562   2HB   LEU  65          HB1       LEU  65 207.784   9.575  -2.965
  563    HG   LEU  65           HG       LEU  65 206.675   8.321  -1.091
  564   1HD1  LEU  65          HD11      LEU  65 204.065   9.413  -1.501
  565   2HD1  LEU  65          HD12      LEU  65 205.151  10.702  -0.973
  566   3HD1  LEU  65          HD13      LEU  65 204.969   9.247   0.005
  567   1HD2  LEU  65          HD21      LEU  65 205.125   7.283  -2.561
  568   2HD2  LEU  65          HD22      LEU  65 206.451   7.870  -3.564
  569   3HD2  LEU  65          HD23      LEU  65 204.930   8.759  -3.505
  570    H    ILE  66           HN       ILE  66 208.355   8.547   0.181
  571    HA   ILE  66           HA       ILE  66 206.361   8.940   2.183
  572    HB   ILE  66           HB       ILE  66 208.647   6.976   2.007
  573   1HG1  ILE  66          HG12      ILE  66 207.017   6.595   0.281
  574   2HG1  ILE  66          HG11      ILE  66 206.800   5.360   1.516
  575   1HG2  ILE  66          HG21      ILE  66 208.315   6.685   4.204
  576   2HG2  ILE  66          HG22      ILE  66 206.844   5.846   3.712
  577   3HG2  ILE  66          HG23      ILE  66 206.774   7.544   4.183
  578   1HD1  ILE  66          HD11      ILE  66 205.114   7.533   2.177
  579   2HD1  ILE  66          HD12      ILE  66 204.670   5.905   1.665
  580   3HD1  ILE  66          HD13      ILE  66 204.899   7.173   0.464
  581    H    ARG  67           HN       ARG  67 209.884   9.264   2.065
  582    HA   ARG  67           HA       ARG  67 210.549   9.686   4.679
  583   1HB   ARG  67          HB2       ARG  67 211.647  10.448   2.089
  584   2HB   ARG  67          HB1       ARG  67 211.996  11.657   3.318
  585   1HG   ARG  67          HG2       ARG  67 213.529  10.367   4.288
  586   2HG   ARG  67          HG1       ARG  67 212.463   8.964   4.287
  587   1HD   ARG  67          HD2       ARG  67 213.019   8.669   1.856
  588   2HD   ARG  67          HD1       ARG  67 214.239   9.931   2.053
  589    HE   ARG  67           HE       ARG  67 214.410   7.201   2.913
  590   1HH1  ARG  67          HH11      ARG  67 215.534  10.448   3.529
  591   2HH1  ARG  67          HH12      ARG  67 217.007   9.929   4.278
  592   1HH2  ARG  67          HH21      ARG  67 216.347   6.518   3.894
  593   2HH2  ARG  67          HH22      ARG  67 217.469   7.698   4.484
  594    H    LYS  68           HN       LYS  68 209.246  12.165   2.455
  595    HA   LYS  68           HA       LYS  68 209.262  14.257   4.357
  596   1HB   LYS  68          HB2       LYS  68 207.500  13.874   1.938
  597   2HB   LYS  68          HB1       LYS  68 207.639  15.361   2.864
  598   1HG   LYS  68          HG2       LYS  68 209.846  15.723   2.169
  599   2HG   LYS  68          HG1       LYS  68 210.014  14.067   1.577
  600   1HD   LYS  68          HD2       LYS  68 207.840  15.648   0.377
  601   2HD   LYS  68          HD1       LYS  68 209.480  16.177  -0.014
  602   1HE   LYS  68          HE2       LYS  68 210.040  14.039  -0.898
  603   2HE   LYS  68          HE1       LYS  68 208.558  13.333  -0.260
  604   1HZ   LYS  68          HZ1       LYS  68 208.737  15.350  -2.430
  605   2HZ   LYS  68          HZ2       LYS  68 207.294  14.754  -1.781
  606   3HZ   LYS  68          HZ3       LYS  68 208.338  13.716  -2.612
  607    H    ARG  69           HN       ARG  69 206.678  12.078   3.268
  608    HA   ARG  69           HA       ARG  69 204.572  12.920   4.804
  609   1HB   ARG  69          HB2       ARG  69 205.333  10.035   4.319
  610   2HB   ARG  69          HB1       ARG  69 203.730  10.631   4.724
  611   1HG   ARG  69          HG2       ARG  69 204.828  11.927   2.369
  612   2HG   ARG  69          HG1       ARG  69 204.716  10.174   2.194
  613   1HD   ARG  69          HD2       ARG  69 202.463  10.178   2.230
  614   2HD   ARG  69          HD1       ARG  69 202.378  11.503   3.393
  615    HE   ARG  69           HE       ARG  69 202.332  11.703   0.524
  616   1HH1  ARG  69          HH11      ARG  69 203.037  13.384   3.501
  617   2HH1  ARG  69          HH12      ARG  69 202.811  14.956   2.813
  618   1HH2  ARG  69          HH21      ARG  69 202.034  13.771  -0.383
  619   2HH2  ARG  69          HH22      ARG  69 202.240  15.177   0.609
  620    H    ILE  70           HN       ILE  70 207.450  11.259   5.833
  621    HA   ILE  70           HA       ILE  70 206.380  11.031   8.559
  622    HB   ILE  70           HB       ILE  70 208.796   9.727   8.637
  623   1HG1  ILE  70          HG12      ILE  70 207.473   8.787   6.110
  624   2HG1  ILE  70          HG11      ILE  70 208.772   9.973   6.081
  625   1HG2  ILE  70          HG21      ILE  70 207.515   8.091   9.425
  626   2HG2  ILE  70          HG22      ILE  70 206.598   7.968   7.924
  627   3HG2  ILE  70          HG23      ILE  70 206.157   9.176   9.131
  628   1HD1  ILE  70          HD11      ILE  70 209.174   7.341   5.873
  629   2HD1  ILE  70          HD12      ILE  70 209.296   7.521   7.623
  630   3HD1  ILE  70          HD13      ILE  70 210.355   8.453   6.564
  631    H    HIS  71           HN       HIS  71 208.478  12.855   6.644
  632    HA   HIS  71           HA       HIS  71 209.671  14.721   7.134
  633   1HB   HIS  71          HB2       HIS  71 209.198  14.029  10.035
  634   2HB   HIS  71          HB1       HIS  71 209.961  15.499   9.449
  635    HD1  HIS  71           HD1      HIS  71 206.609  13.724   9.245
  636    HD2  HIS  71           HD2      HIS  71 208.243  17.529   8.896
  637    HE1  HIS  71           HE1      HIS  71 204.648  15.279   9.021
  638    HE2  HIS  71           HE2      HIS  71 205.658  17.583   8.899
  639    H    LEU  72           HN       LEU  72 210.991  12.747   6.240
  640    HA   LEU  72           HA       LEU  72 213.405  12.533   7.924
  641   1HB   LEU  72          HB2       LEU  72 212.155  10.535   6.062
  642   2HB   LEU  72          HB1       LEU  72 213.840  10.426   6.536
  643    HG   LEU  72           HG       LEU  72 212.400   8.926   7.844
  644   1HD1  LEU  72          HD11      LEU  72 213.942  11.109   9.131
  645   2HD1  LEU  72          HD12      LEU  72 214.249   9.372   9.093
  646   3HD1  LEU  72          HD13      LEU  72 213.006  10.027  10.160
  647   1HD2  LEU  72          HD21      LEU  72 210.457  10.615   7.719
  648   2HD2  LEU  72          HD22      LEU  72 211.186  11.309   9.170
  649   3HD2  LEU  72          HD23      LEU  72 210.650   9.631   9.171
  650    H    ARG  73           HN       ARG  73 214.791  14.021   7.053
  651    HA   ARG  73           HA       ARG  73 214.782  14.681   4.292
  652   1HB   ARG  73          HB2       ARG  73 217.201  15.553   4.913
  653   2HB   ARG  73          HB1       ARG  73 215.761  16.406   5.444
  654   1HG   ARG  73          HG2       ARG  73 217.381  16.261   7.225
  655   2HG   ARG  73          HG1       ARG  73 215.939  15.335   7.636
  656   1HD   ARG  73          HD2       ARG  73 217.028  13.343   7.523
  657   2HD   ARG  73          HD1       ARG  73 218.142  13.898   6.277
  658    HE   ARG  73           HE       ARG  73 219.620  14.392   7.931
  659   1HH1  ARG  73          HH11      ARG  73 216.417  14.418   9.314
  660   2HH1  ARG  73          HH12      ARG  73 216.980  14.714  10.924
  661   1HH2  ARG  73          HH21      ARG  73 220.362  14.781  10.047
  662   2HH2  ARG  73          HH22      ARG  73 219.218  14.920  11.341
  663    H    ALA  74           HN       ALA  74 216.581  14.264   2.781
  664    HA   ALA  74           HA       ALA  74 216.968  11.633   2.230
  665   1HB   ALA  74          HB1       ALA  74 217.702  13.884   1.009
  666   2HB   ALA  74          HB2       ALA  74 218.343  12.303   0.564
  667   3HB   ALA  74          HB3       ALA  74 219.276  13.370   1.618
  668    H    GLU  75           HN       GLU  75 218.812  13.580   4.466
  669    HA   GLU  75           HA       GLU  75 220.948  11.720   4.774
  670   1HB   GLU  75          HB2       GLU  75 220.099  14.256   6.004
  671   2HB   GLU  75          HB1       GLU  75 221.130  13.219   6.982
  672   1HG   GLU  75          HG2       GLU  75 222.580  13.120   4.827
  673   2HG   GLU  75          HG1       GLU  75 221.710  14.595   4.413
  674    H    ASP  76           HN       ASP  76 217.805  11.993   6.105
  675    HA   ASP  76           HA       ASP  76 218.289  10.535   8.525
  676   1HB   ASP  76          HB2       ASP  76 215.994  11.765   7.198
  677   2HB   ASP  76          HB1       ASP  76 215.603  10.260   8.018
  678    H    ALA  77           HN       ALA  77 217.234   8.499   9.018
  679    HA   ALA  77           HA       ALA  77 217.744   6.589   6.883
  680   1HB   ALA  77          HB1       ALA  77 218.750   6.307   9.154
  681   2HB   ALA  77          HB2       ALA  77 217.849   4.911   8.558
  682   3HB   ALA  77          HB3       ALA  77 217.126   5.980   9.762
  683    H    LEU  78           HN       LEU  78 216.305   5.224   6.047
  684    HA   LEU  78           HA       LEU  78 213.720   4.704   7.089
  685   1HB   LEU  78          HB2       LEU  78 213.262   6.957   6.293
  686   2HB   LEU  78          HB1       LEU  78 213.911   6.555   4.715
  687    HG   LEU  78           HG       LEU  78 212.078   4.839   4.499
  688   1HD1  LEU  78          HD11      LEU  78 211.271   4.372   6.584
  689   2HD1  LEU  78          HD12      LEU  78 210.070   5.542   6.032
  690   3HD1  LEU  78          HD13      LEU  78 211.362   6.051   7.119
  691   1HD2  LEU  78          HD21      LEU  78 212.043   7.154   3.503
  692   2HD2  LEU  78          HD22      LEU  78 211.038   7.637   4.870
  693   3HD2  LEU  78          HD23      LEU  78 210.466   6.401   3.748
  694    H    PHE  79           HN       PHE  79 213.483   2.648   6.513
  695    HA   PHE  79           HA       PHE  79 214.323   1.842   3.806
  696   1HB   PHE  79          HB2       PHE  79 214.348   0.108   6.289
  697   2HB   PHE  79          HB1       PHE  79 214.890  -0.361   4.682
  698    HD1  PHE  79           HD1      PHE  79 217.113  -0.139   4.108
  699    HD2  PHE  79           HD2      PHE  79 215.581   2.092   7.392
  700    HE1  PHE  79           HE1      PHE  79 219.393   0.604   4.663
  701    HE2  PHE  79           HE2      PHE  79 217.857   2.842   7.950
  702    HZ   PHE  79           HZ       PHE  79 219.766   2.099   6.585
  703    H    PHE  80           HN       PHE  80 212.865   0.737   2.598
  704    HA   PHE  80           HA       PHE  80 210.181   0.556   3.657
  705   1HB   PHE  80          HB2       PHE  80 211.361   0.224   0.914
  706   2HB   PHE  80          HB1       PHE  80 209.699  -0.247   1.252
  707    HD1  PHE  80           HD1      PHE  80 210.803   1.912  -0.663
  708    HD2  PHE  80           HD2      PHE  80 209.224   2.054   3.287
  709    HE1  PHE  80           HE1      PHE  80 210.085   4.230  -1.032
  710    HE2  PHE  80           HE2      PHE  80 208.506   4.377   2.922
  711    HZ   PHE  80           HZ       PHE  80 208.937   5.467   0.758
  712    H    PHE  81           HN       PHE  81 208.914  -1.310   3.690
  713    HA   PHE  81           HA       PHE  81 210.305  -3.854   3.352
  714   1HB   PHE  81          HB2       PHE  81 208.793  -3.071   5.852
  715   2HB   PHE  81          HB1       PHE  81 209.458  -4.669   5.521
  716    HD1  PHE  81           HD1      PHE  81 211.790  -5.115   5.751
  717    HD2  PHE  81           HD2      PHE  81 210.276  -1.174   6.287
  718    HE1  PHE  81           HE1      PHE  81 213.945  -4.422   6.718
  719    HE2  PHE  81           HE2      PHE  81 212.427  -0.473   7.253
  720    HZ   PHE  81           HZ       PHE  81 214.273  -2.097   7.460
  721    H    VAL  82           HN       VAL  82 209.134  -5.063   2.049
  722    HA   VAL  82           HA       VAL  82 206.201  -4.923   2.248
  723    HB   VAL  82           HB       VAL  82 207.146  -3.847   0.147
  724   1HG1  VAL  82          HG11      VAL  82 207.736  -6.695  -0.643
  725   2HG1  VAL  82          HG12      VAL  82 208.958  -5.507  -0.191
  726   3HG1  VAL  82          HG13      VAL  82 207.962  -5.247  -1.624
  727   1HG2  VAL  82          HG21      VAL  82 205.398  -6.220  -0.446
  728   2HG2  VAL  82          HG22      VAL  82 205.388  -4.630  -1.212
  729   3HG2  VAL  82          HG23      VAL  82 204.821  -4.814   0.448
  730    H    ASN  83           HN       ASN  83 205.356  -6.808   2.843
  731    HA   ASN  83           HA       ASN  83 205.076  -9.043   3.186
  732   1HB   ASN  83          HB2       ASN  83 207.126  -9.439   0.991
  733   2HB   ASN  83          HB1       ASN  83 205.973 -10.630   1.583
  734   1HD2  ASN  83          HD21      ASN  83 205.449 -10.737  -0.726
  735   2HD2  ASN  83          HD22      ASN  83 204.285  -9.627  -1.357
  736    H    ASN  84           HN       ASN  84 207.225  -7.355   4.389
  737    HA   ASN  84           HA       ASN  84 208.585  -7.707   6.196
  738   1HB   ASN  84          HB2       ASN  84 207.580 -10.223   5.917
  739   2HB   ASN  84          HB1       ASN  84 209.295 -10.508   5.640
  740   1HD2  ASN  84          HD21      ASN  84 207.886 -11.531   7.814
  741   2HD2  ASN  84          HD22      ASN  84 208.500 -10.809   9.258
  742    H    VAL  85           HN       VAL  85 209.312  -7.823   3.009
  743    HA   VAL  85           HA       VAL  85 212.195  -8.062   3.526
  744    HB   VAL  85           HB       VAL  85 211.306  -9.716   1.974
  745   1HG1  VAL  85          HG11      VAL  85 210.901  -8.500  -0.416
  746   2HG1  VAL  85          HG12      VAL  85 210.157  -7.353   0.697
  747   3HG1  VAL  85          HG13      VAL  85 209.618  -9.032   0.671
  748   1HG2  VAL  85          HG21      VAL  85 213.057  -9.595   0.425
  749   2HG2  VAL  85          HG22      VAL  85 213.639  -8.708   1.835
  750   3HG2  VAL  85          HG23      VAL  85 213.039  -7.831   0.428
  751    H    ILE  86           HN       ILE  86 213.589  -6.733   2.252
  752    HA   ILE  86           HA       ILE  86 212.532  -4.023   1.990
  753    HB   ILE  86           HB       ILE  86 215.383  -5.007   1.973
  754   1HG1  ILE  86          HG12      ILE  86 213.519  -4.016   4.085
  755   2HG1  ILE  86          HG11      ILE  86 214.711  -5.308   4.162
  756   1HG2  ILE  86          HG21      ILE  86 215.104  -2.946   0.681
  757   2HG2  ILE  86          HG22      ILE  86 215.998  -2.650   2.172
  758   3HG2  ILE  86          HG23      ILE  86 214.299  -2.190   2.056
  759   1HD1  ILE  86          HD11      ILE  86 215.303  -2.365   4.148
  760   2HD1  ILE  86          HD12      ILE  86 216.493  -3.663   4.248
  761   3HD1  ILE  86          HD13      ILE  86 215.336  -3.426   5.554
  762    HA   PRO  87           HA       PRO  87 212.517  -4.703  -2.462
  763   1HB   PRO  87          HB2       PRO  87 211.455  -2.310  -3.147
  764   2HB   PRO  87          HB1       PRO  87 210.479  -3.627  -2.483
  765   1HG   PRO  87          HG2       PRO  87 211.602  -1.220  -1.102
  766   2HG   PRO  87          HG1       PRO  87 209.990  -1.945  -0.953
  767   1HD   PRO  87          HD2       PRO  87 211.970  -2.364   0.859
  768   2HD   PRO  87          HD1       PRO  87 210.722  -3.574   0.499
  769    HA   PRO  88           HA       PRO  88 216.302  -2.675  -3.574
  770   1HB   PRO  88          HB2       PRO  88 215.619  -3.112  -6.384
  771   2HB   PRO  88          HB1       PRO  88 216.893  -3.859  -5.417
  772   1HG   PRO  88          HG2       PRO  88 214.726  -5.234  -6.261
  773   2HG   PRO  88          HG1       PRO  88 215.537  -5.586  -4.725
  774   1HD   PRO  88          HD2       PRO  88 213.031  -4.023  -5.229
  775   2HD   PRO  88          HD1       PRO  88 213.378  -5.224  -3.966
  776    H    THR  89           HN       THR  89 216.826  -0.595  -3.866
  777    HA   THR  89           HA       THR  89 214.941   1.388  -4.417
  778    HB   THR  89           HB       THR  89 217.057   2.822  -4.841
  779    HG1  THR  89           HG1      THR  89 218.325   0.848  -5.267
  780   1HG2  THR  89          HG21      THR  89 216.551   3.313  -2.739
  781   2HG2  THR  89          HG22      THR  89 217.745   2.098  -2.280
  782   3HG2  THR  89          HG23      THR  89 216.038   1.662  -2.389
  783    H    SER  90           HN       SER  90 216.767  -0.599  -6.551
  784    HA   SER  90           HA       SER  90 216.570   1.155  -8.825
  785   1HB   SER  90          HB2       SER  90 218.444  -0.427  -8.612
  786   2HB   SER  90          HB1       SER  90 217.313  -1.776  -8.684
  787    HG   SER  90           HG       SER  90 217.826  -1.606 -10.745
  788    H    ALA  91           HN       ALA  91 214.838  -1.653  -7.578
  789    HA   ALA  91           HA       ALA  91 213.255  -2.214  -9.812
  790   1HB   ALA  91          HB1       ALA  91 211.691  -3.273  -8.215
  791   2HB   ALA  91          HB2       ALA  91 212.608  -2.561  -6.886
  792   3HB   ALA  91          HB3       ALA  91 213.371  -3.744  -7.949
  793    H    THR  92           HN       THR  92 211.079  -1.680 -10.299
  794    HA   THR  92           HA       THR  92 210.362   1.031  -9.441
  795    HB   THR  92           HB       THR  92 209.086   1.219 -11.456
  796    HG1  THR  92           HG1      THR  92 208.152  -0.504 -12.158
  797   1HG2  THR  92          HG21      THR  92 211.342   1.595 -11.989
  798   2HG2  THR  92          HG22      THR  92 210.720   0.527 -13.245
  799   3HG2  THR  92          HG23      THR  92 211.720  -0.127 -11.949
  800    H    MET  93           HN       MET  93 208.321   1.535  -8.680
  801    HA   MET  93           HA       MET  93 207.053  -0.188  -6.966
  802   1HB   MET  93          HB2       MET  93 205.889   2.140  -8.497
  803   2HB   MET  93          HB1       MET  93 205.064   1.336  -7.169
  804   1HG   MET  93          HG2       MET  93 207.749   2.125  -6.461
  805   2HG   MET  93          HG1       MET  93 206.777   3.484  -7.013
  806   1HE   MET  93          HE1       MET  93 204.622   0.668  -4.386
  807   2HE   MET  93          HE2       MET  93 206.285   0.521  -3.818
  808   3HE   MET  93          HE3       MET  93 205.906   0.244  -5.516
  809    H    GLY  94           HN       GLY  94 206.556   0.185 -10.413
  810   1HA   GLY  94          HA2       GLY  94 204.143  -1.248 -10.644
  811   2HA   GLY  94          HA1       GLY  94 205.339  -1.051 -11.920
  812    H    GLN  95           HN       GLN  95 207.522  -2.317 -10.791
  813    HA   GLN  95           HA       GLN  95 206.957  -5.021 -11.347
  814   1HB   GLN  95          HB2       GLN  95 209.356  -3.762 -10.000
  815   2HB   GLN  95          HB1       GLN  95 209.278  -5.437 -10.528
  816   1HG   GLN  95          HG2       GLN  95 208.863  -4.600 -12.846
  817   2HG   GLN  95          HG1       GLN  95 209.191  -2.974 -12.247
  818   1HE2  GLN  95          HE21      GLN  95 210.651  -4.270 -14.276
  819   2HE2  GLN  95          HE22      GLN  95 212.267  -4.498 -13.711
  820    H    LEU  96           HN       LEU  96 207.356  -3.219  -8.342
  821    HA   LEU  96           HA       LEU  96 207.301  -5.412  -6.583
  822   1HB   LEU  96          HB2       LEU  96 206.278  -2.609  -6.101
  823   2HB   LEU  96          HB1       LEU  96 206.629  -3.796  -4.861
  824    HG   LEU  96           HG       LEU  96 208.572  -2.322  -6.619
  825   1HD1  LEU  96          HD11      LEU  96 208.193  -2.579  -3.641
  826   2HD1  LEU  96          HD12      LEU  96 207.945  -1.143  -4.635
  827   3HD1  LEU  96          HD13      LEU  96 209.572  -1.784  -4.402
  828   1HD2  LEU  96          HD21      LEU  96 210.113  -3.884  -4.981
  829   2HD2  LEU  96          HD22      LEU  96 209.803  -4.193  -6.689
  830   3HD2  LEU  96          HD23      LEU  96 208.826  -4.993  -5.457
  831    H    TYR  97           HN       TYR  97 204.702  -3.236  -7.647
  832    HA   TYR  97           HA       TYR  97 202.597  -4.523  -6.349
  833   1HB   TYR  97          HB2       TYR  97 202.280  -2.332  -7.301
  834   2HB   TYR  97          HB1       TYR  97 202.603  -2.945  -8.921
  835    HD1  TYR  97           HD1      TYR  97 200.978  -4.564  -9.953
  836    HD2  TYR  97           HD2      TYR  97 200.110  -2.429  -6.375
  837    HE1  TYR  97           HE1      TYR  97 198.583  -5.033 -10.260
  838    HE2  TYR  97           HE2      TYR  97 197.713  -2.894  -6.673
  839    HH   TYR  97           HH       TYR  97 196.551  -5.121  -9.047
  840    H    GLN  98           HN       GLN  98 204.119  -5.186  -9.451
  841    HA   GLN  98           HA       GLN  98 202.165  -7.106 -10.255
  842   1HB   GLN  98          HB2       GLN  98 204.967  -6.581 -11.229
  843   2HB   GLN  98          HB1       GLN  98 203.856  -7.721 -11.974
  844   1HG   GLN  98          HG2       GLN  98 202.459  -5.299 -11.763
  845   2HG   GLN  98          HG1       GLN  98 204.072  -4.894 -12.346
  846   1HE2  GLN  98          HE21      GLN  98 204.051  -4.693 -14.458
  847   2HE2  GLN  98          HE22      GLN  98 203.229  -5.724 -15.574
  848    H    GLU  99           HN       GLU  99 205.007  -7.196  -8.272
  849    HA   GLU  99           HA       GLU  99 204.835 -10.137  -8.186
  850   1HB   GLU  99          HB2       GLU  99 207.191  -8.296  -7.878
  851   2HB   GLU  99          HB1       GLU  99 207.243  -9.990  -7.404
  852   1HG   GLU  99          HG2       GLU  99 206.266 -10.176  -9.923
  853   2HG   GLU  99          HG1       GLU  99 207.314  -8.765 -10.060
  854    H    HIS 100           HN       HIS 100 203.557  -7.873  -6.444
  855    HA   HIS 100           HA       HIS 100 204.147  -9.247  -3.947
  856   1HB   HIS 100          HB2       HIS 100 204.440  -6.271  -4.291
  857   2HB   HIS 100          HB1       HIS 100 204.336  -7.067  -2.725
  858    HD1  HIS 100           HD1      HIS 100 206.558  -7.043  -5.808
  859    HD2  HIS 100           HD2      HIS 100 206.707  -7.993  -1.764
  860    HE1  HIS 100           HE1      HIS 100 208.972  -7.555  -5.325
  861    HE2  HIS 100           HE2      HIS 100 209.024  -8.207  -2.892
  862    H    HIS 101           HN       HIS 101 201.977  -7.363  -5.852
  863    HA   HIS 101           HA       HIS 101 200.048  -6.662  -3.992
  864   1HB   HIS 101          HB2       HIS 101 198.491  -6.508  -5.786
  865   2HB   HIS 101          HB1       HIS 101 200.061  -6.064  -6.445
  866    HD1  HIS 101           HD1      HIS 101 197.202  -8.042  -7.221
  867    HD2  HIS 101           HD2      HIS 101 201.297  -8.533  -7.742
  868    HE1  HIS 101           HE1      HIS 101 197.449  -9.786  -9.015
  869    HE2  HIS 101           HE2      HIS 101 199.932 -10.012  -9.366
  870    H    GLU 102           HN       GLU 102 199.096  -7.875  -2.529
  871    HA   GLU 102           HA       GLU 102 199.015 -10.711  -2.683
  872   1HB   GLU 102          HB2       GLU 102 197.763  -8.759  -0.753
  873   2HB   GLU 102          HB1       GLU 102 197.716 -10.507  -0.549
  874   1HG   GLU 102          HG2       GLU 102 200.408  -9.754  -1.029
  875   2HG   GLU 102          HG1       GLU 102 199.751  -8.683   0.206
  876    H    GLU 103           HN       GLU 103 197.819 -10.416  -4.880
  877    HA   GLU 103           HA       GLU 103 195.925 -10.571  -6.153
  878   1HB   GLU 103          HB2       GLU 103 196.196 -12.801  -5.063
  879   2HB   GLU 103          HB1       GLU 103 195.039 -12.293  -3.839
  880   1HG   GLU 103          HG2       GLU 103 193.282 -12.623  -5.182
  881   2HG   GLU 103          HG1       GLU 103 194.107 -11.964  -6.593
  882    H    ASP 104           HN       ASP 104 195.854  -8.351  -4.160
  883    HA   ASP 104           HA       ASP 104 192.921  -8.092  -3.958
  884   1HB   ASP 104          HB2       ASP 104 193.561  -6.341  -2.141
  885   2HB   ASP 104          HB1       ASP 104 193.606  -8.052  -1.729
  886    H    PHE 105           HN       PHE 105 194.901  -7.377  -6.126
  887    HA   PHE 105           HA       PHE 105 195.354  -5.673  -7.563
  888   1HB   PHE 105          HB2       PHE 105 192.696  -4.698  -6.500
  889   2HB   PHE 105          HB1       PHE 105 193.485  -4.086  -7.950
  890    HD1  PHE 105           HD1      PHE 105 192.524  -7.389  -6.495
  891    HD2  PHE 105           HD2      PHE 105 192.717  -4.905  -9.945
  892    HE1  PHE 105           HE1      PHE 105 191.449  -9.158  -7.823
  893    HE2  PHE 105           HE2      PHE 105 191.641  -6.669 -11.278
  894    HZ   PHE 105           HZ       PHE 105 191.004  -8.799 -10.218
  895    H    PHE 106           HN       PHE 106 196.100  -5.400  -4.628
  896    HA   PHE 106           HA       PHE 106 196.639  -2.513  -4.652
  897   1HB   PHE 106          HB2       PHE 106 195.432  -4.198  -2.583
  898   2HB   PHE 106          HB1       PHE 106 196.771  -3.219  -1.994
  899    HD1  PHE 106           HD1      PHE 106 195.747  -1.558  -0.727
  900    HD2  PHE 106           HD2      PHE 106 194.289  -2.432  -4.627
  901    HE1  PHE 106           HE1      PHE 106 194.257   0.396  -0.599
  902    HE2  PHE 106           HE2      PHE 106 192.792  -0.473  -4.506
  903    HZ   PHE 106           HZ       PHE 106 192.777   0.939  -2.491
  904    H    LEU 107           HN       LEU 107 198.345  -2.312  -2.596
  905    HA   LEU 107           HA       LEU 107 200.439  -4.256  -2.639
  906   1HB   LEU 107          HB2       LEU 107 200.766  -3.222  -4.829
  907   2HB   LEU 107          HB1       LEU 107 200.825  -1.633  -4.092
  908    HG   LEU 107           HG       LEU 107 203.054  -2.158  -4.638
  909   1HD1  LEU 107          HD11      LEU 107 202.862  -2.971  -1.747
  910   2HD1  LEU 107          HD12      LEU 107 202.758  -1.307  -2.327
  911   3HD1  LEU 107          HD13      LEU 107 204.230  -2.239  -2.580
  912   1HD2  LEU 107          HD21      LEU 107 202.228  -4.807  -4.436
  913   2HD2  LEU 107          HD22      LEU 107 203.456  -4.632  -3.182
  914   3HD2  LEU 107          HD23      LEU 107 203.841  -4.228  -4.855
  915    H    TYR 108           HN       TYR 108 200.340  -4.128  -0.391
  916    HA   TYR 108           HA       TYR 108 200.682  -1.490   0.807
  917   1HB   TYR 108          HB2       TYR 108 200.398  -2.801   3.011
  918   2HB   TYR 108          HB1       TYR 108 198.995  -2.561   1.993
  919    HD1  TYR 108           HD1      TYR 108 200.731  -4.875   3.913
  920    HD2  TYR 108           HD2      TYR 108 198.557  -4.568   0.276
  921    HE1  TYR 108           HE1      TYR 108 200.278  -7.288   3.992
  922    HE2  TYR 108           HE2      TYR 108 198.099  -6.984   0.339
  923    HH   TYR 108           HH       TYR 108 198.032  -8.777   2.600
  924    H    ILE 109           HN       ILE 109 202.421  -0.740   1.564
  925    HA   ILE 109           HA       ILE 109 204.786  -2.477   1.803
  926    HB   ILE 109           HB       ILE 109 204.583   0.438   1.060
  927   1HG1  ILE 109          HG12      ILE 109 204.706  -2.079  -0.525
  928   2HG1  ILE 109          HG11      ILE 109 203.779  -0.612  -0.807
  929   1HG2  ILE 109          HG21      ILE 109 206.683   0.130   2.111
  930   2HG2  ILE 109          HG22      ILE 109 207.003   0.109   0.379
  931   3HG2  ILE 109          HG23      ILE 109 206.956  -1.405   1.285
  932   1HD1  ILE 109          HD11      ILE 109 205.312  -0.610  -2.529
  933   2HD1  ILE 109          HD12      ILE 109 206.617  -1.218  -1.508
  934   3HD1  ILE 109          HD13      ILE 109 206.071   0.450  -1.340
  935    H    ALA 110           HN       ALA 110 206.499  -1.495   3.257
  936    HA   ALA 110           HA       ALA 110 205.351  -0.033   5.538
  937   1HB   ALA 110          HB1       ALA 110 205.606  -1.760   6.906
  938   2HB   ALA 110          HB2       ALA 110 207.318  -1.858   6.491
  939   3HB   ALA 110          HB3       ALA 110 206.128  -2.747   5.544
  940    H    TYR 111           HN       TYR 111 206.977   1.024   6.875
  941    HA   TYR 111           HA       TYR 111 209.602   1.353   5.631
  942   1HB   TYR 111          HB2       TYR 111 209.452   3.746   5.492
  943   2HB   TYR 111          HB1       TYR 111 208.077   3.064   4.631
  944    HD1  TYR 111           HD1      TYR 111 209.136   4.832   7.649
  945    HD2  TYR 111           HD2      TYR 111 205.841   3.420   5.409
  946    HE1  TYR 111           HE1      TYR 111 207.633   6.173   9.058
  947    HE2  TYR 111           HE2      TYR 111 204.306   4.764   6.778
  948    HH   TYR 111           HH       TYR 111 205.516   6.863   9.373
  949    H    SER 112           HN       SER 112 211.154   1.414   7.111
  950    HA   SER 112           HA       SER 112 210.520   2.307   9.852
  951   1HB   SER 112          HB2       SER 112 210.764   0.174  10.516
  952   2HB   SER 112          HB1       SER 112 211.402  -0.328   8.954
  953    HG   SER 112           HG       SER 112 212.769   0.649  11.211
  954    H    ASP 113           HN       ASP 113 212.519   2.830  11.105
  955    HA   ASP 113           HA       ASP 113 214.295   4.386   9.423
  956   1HB   ASP 113          HB2       ASP 113 213.352   5.396  11.456
  957   2HB   ASP 113          HB1       ASP 113 214.147   4.165  12.437
  958    H    GLU 114           HN       GLU 114 214.292   1.267  10.089
  959    HA   GLU 114           HA       GLU 114 217.226   1.090  10.176
  960   1HB   GLU 114          HB2       GLU 114 215.354  -0.797  11.615
  961   2HB   GLU 114          HB1       GLU 114 217.112  -0.855  11.620
  962   1HG   GLU 114          HG2       GLU 114 216.120   1.716  12.502
  963   2HG   GLU 114          HG1       GLU 114 215.482   0.391  13.475
  964    H    SER 115           HN       SER 115 217.866  -1.282   9.580
  965    HA   SER 115           HA       SER 115 216.718  -1.754   6.979
  966   1HB   SER 115          HB2       SER 115 218.470  -3.519   6.783
  967   2HB   SER 115          HB1       SER 115 219.119  -1.929   7.192
  968    HG   SER 115           HG       SER 115 219.811  -3.925   8.440
  969    H    VAL 116           HN       VAL 116 215.615  -2.629   9.890
  970    HA   VAL 116           HA       VAL 116 214.639  -5.230   8.942
  971    HB   VAL 116           HB       VAL 116 213.957  -4.869  11.684
  972   1HG1  VAL 116          HG11      VAL 116 215.760  -6.716  10.158
  973   2HG1  VAL 116          HG12      VAL 116 214.173  -7.035  10.860
  974   3HG1  VAL 116          HG13      VAL 116 215.580  -6.846  11.907
  975   1HG2  VAL 116          HG21      VAL 116 216.154  -4.713  12.746
  976   2HG2  VAL 116          HG22      VAL 116 215.783  -3.248  11.837
  977   3HG2  VAL 116          HG23      VAL 116 216.904  -4.438  11.175
  978    H    TYR 117           HN       TYR 117 212.363  -5.645   9.499
  979    HA   TYR 117           HA       TYR 117 210.719  -3.503   8.708
  980   1HB   TYR 117          HB2       TYR 117 209.932  -5.720   8.275
  981   2HB   TYR 117          HB1       TYR 117 210.048  -6.162   9.977
  982    HD1  TYR 117           HD1      TYR 117 207.901  -6.613  10.737
  983    HD2  TYR 117           HD2      TYR 117 208.552  -3.190   8.302
  984    HE1  TYR 117           HE1      TYR 117 205.568  -5.920  11.094
  985    HE2  TYR 117           HE2      TYR 117 206.222  -2.494   8.638
  986    HH   TYR 117           HH       TYR 117 203.861  -4.365   9.594
  987    H    GLY 118           HN       GLY 118 211.711  -1.994  10.366
  988   1HA   GLY 118          HA2       GLY 118 211.352  -0.630  12.177
  989   2HA   GLY 118          HA1       GLY 118 209.789  -1.418  12.355
  990    H    LEU 119           HN       LEU 119 209.989  -3.733  13.195
  991    HA   LEU 119           HA       LEU 119 210.392  -4.058  15.722
  992   1HB   LEU 119          HB2       LEU 119 211.225  -5.888  13.511
  993   2HB   LEU 119          HB1       LEU 119 211.467  -6.369  15.182
  994    HG   LEU 119           HG       LEU 119 208.772  -5.368  14.718
  995   1HD1  LEU 119          HD11      LEU 119 209.022  -8.033  13.519
  996   2HD1  LEU 119          HD12      LEU 119 209.696  -6.726  12.545
  997   3HD1  LEU 119          HD13      LEU 119 208.007  -6.667  13.053
  998   1HD2  LEU 119          HD21      LEU 119 208.166  -7.283  15.988
  999   2HD2  LEU 119          HD22      LEU 119 209.636  -6.615  16.697
 1000   3HD2  LEU 119          HD23      LEU 119 209.722  -8.056  15.680
  Start of MODEL    6
    1   1H    GLY   1          HT1       GLY   1 204.118 -12.263   5.828
    2   2H    GLY   1          HT2       GLY   1 204.866 -12.932   4.467
    3   3H    GLY   1          HT3       GLY   1 205.605 -11.655   5.295
    4   1HA   GLY   1          HA1       GLY   1 205.409 -14.491   6.033
    5   2HA   GLY   1          HA2       GLY   1 206.805 -13.426   6.084
    6    H    SER   2           HN       SER   2 205.723 -11.273   7.489
    7    HA   SER   2           HA       SER   2 204.455 -12.140   9.897
    8   1HB   SER   2          HB2       SER   2 207.317 -11.259  10.247
    9   2HB   SER   2          HB1       SER   2 206.245 -12.002  11.434
   10    HG   SER   2           HG       SER   2 206.450 -13.943  10.401
   11    H    MET   3           HN       MET   3 203.736 -10.181   8.161
   12    HA   MET   3           HA       MET   3 204.663  -7.639   9.245
   13   1HB   MET   3          HB2       MET   3 202.838  -8.316   6.941
   14   2HB   MET   3          HB1       MET   3 203.162  -6.669   7.467
   15   1HG   MET   3          HG2       MET   3 205.649  -7.346   7.159
   16   2HG   MET   3          HG1       MET   3 204.980  -8.621   6.142
   17   1HE   MET   3          HE1       MET   3 205.719  -4.342   5.056
   18   2HE   MET   3          HE2       MET   3 206.558  -5.415   6.176
   19   3HE   MET   3          HE3       MET   3 205.047  -4.636   6.658
   20    H    LYS   4           HN       LYS   4 203.146  -6.005   9.929
   21    HA   LYS   4           HA       LYS   4 200.647  -7.109  11.018
   22   1HB   LYS   4          HB2       LYS   4 202.898  -5.830  12.441
   23   2HB   LYS   4          HB1       LYS   4 201.293  -5.291  12.916
   24   1HG   LYS   4          HG2       LYS   4 201.838  -7.052  14.370
   25   2HG   LYS   4          HG1       LYS   4 200.701  -7.731  13.204
   26   1HD   LYS   4          HD2       LYS   4 202.306  -9.015  12.180
   27   2HD   LYS   4          HD1       LYS   4 203.619  -7.927  12.637
   28   1HE   LYS   4          HE2       LYS   4 202.140  -9.406  14.763
   29   2HE   LYS   4          HE1       LYS   4 203.347 -10.259  13.802
   30   1HZ   LYS   4          HZ1       LYS   4 205.029  -9.131  14.753
   31   2HZ   LYS   4          HZ2       LYS   4 203.924  -8.915  16.015
   32   3HZ   LYS   4          HZ3       LYS   4 204.159  -7.685  14.879
   33    H    PHE   5           HN       PHE   5 199.804  -6.053   9.044
   34    HA   PHE   5           HA       PHE   5 199.675  -3.135   9.174
   35   1HB   PHE   5          HB2       PHE   5 198.775  -5.118   7.064
   36   2HB   PHE   5          HB1       PHE   5 198.496  -3.384   6.951
   37    HD1  PHE   5           HD1      PHE   5 199.794  -4.260   4.727
   38    HD2  PHE   5           HD2      PHE   5 201.533  -3.643   8.567
   39    HE1  PHE   5           HE1      PHE   5 202.010  -3.968   3.689
   40    HE2  PHE   5           HE2      PHE   5 203.738  -3.350   7.519
   41    HZ   PHE   5           HZ       PHE   5 203.963  -3.511   5.073
   42    H    VAL   6           HN       VAL   6 197.641  -2.007   9.296
   43    HA   VAL   6           HA       VAL   6 195.456  -3.697  10.322
   44    HB   VAL   6           HB       VAL   6 196.573  -2.426  12.121
   45   1HG1  VAL   6          HG11      VAL   6 197.141  -0.433  10.737
   46   2HG1  VAL   6          HG12      VAL   6 196.414  -0.055  12.297
   47   3HG1  VAL   6          HG13      VAL   6 195.445   0.045  10.829
   48   1HG2  VAL   6          HG21      VAL   6 193.746  -1.517  11.618
   49   2HG2  VAL   6          HG22      VAL   6 194.556  -1.646  13.180
   50   3HG2  VAL   6          HG23      VAL   6 194.198  -3.101  12.248
   51    H    TYR   7           HN       TYR   7 196.083  -0.498   8.822
   52    HA   TYR   7           HA       TYR   7 193.379   0.046   8.273
   53   1HB   TYR   7          HB2       TYR   7 195.179   1.756   8.116
   54   2HB   TYR   7          HB1       TYR   7 195.761   0.970   6.652
   55    HD1  TYR   7           HD1      TYR   7 194.953   1.639   4.585
   56    HD2  TYR   7           HD2      TYR   7 192.696   2.539   8.076
   57    HE1  TYR   7           HE1      TYR   7 193.397   2.971   3.225
   58    HE2  TYR   7           HE2      TYR   7 191.133   3.873   6.729
   59    HH   TYR   7           HH       TYR   7 191.079   3.772   3.335
   60    H    LYS   8           HN       LYS   8 195.892  -1.410   6.229
   61    HA   LYS   8           HA       LYS   8 194.093  -1.971   4.085
   62   1HB   LYS   8          HB2       LYS   8 195.936  -2.975   3.005
   63   2HB   LYS   8          HB1       LYS   8 196.623  -1.665   3.950
   64   1HG   LYS   8          HG2       LYS   8 198.100  -3.281   4.499
   65   2HG   LYS   8          HG1       LYS   8 196.889  -3.612   5.739
   66   1HD   LYS   8          HD2       LYS   8 195.937  -5.093   3.675
   67   2HD   LYS   8          HD1       LYS   8 197.675  -5.194   3.387
   68   1HE   LYS   8          HE2       LYS   8 198.078  -6.230   5.428
   69   2HE   LYS   8          HE1       LYS   8 196.556  -5.673   6.121
   70   1HZ   LYS   8          HZ1       LYS   8 196.756  -7.665   3.930
   71   2HZ   LYS   8          HZ2       LYS   8 195.358  -7.216   4.770
   72   3HZ   LYS   8          HZ3       LYS   8 196.586  -8.066   5.565
   73    H    GLU   9           HN       GLU   9 195.262  -3.686   6.897
   74    HA   GLU   9           HA       GLU   9 194.291  -6.248   6.157
   75   1HB   GLU   9          HB2       GLU   9 196.006  -5.414   8.036
   76   2HB   GLU   9          HB1       GLU   9 194.560  -5.552   9.027
   77   1HG   GLU   9          HG2       GLU   9 195.639  -7.763   7.299
   78   2HG   GLU   9          HG1       GLU   9 196.006  -7.572   9.012
   79    H    GLU  10           HN       GLU  10 193.058  -3.646   8.206
   80    HA   GLU  10           HA       GLU  10 190.725  -4.926   9.090
   81   1HB   GLU  10          HB2       GLU  10 191.551  -2.056   8.807
   82   2HB   GLU  10          HB1       GLU  10 189.897  -2.449   9.252
   83   1HG   GLU  10          HG2       GLU  10 191.153  -3.970  11.033
   84   2HG   GLU  10          HG1       GLU  10 192.403  -2.749  10.795
   85    H    HIS  11           HN       HIS  11 191.230  -2.663   6.385
   86    HA   HIS  11           HA       HIS  11 188.612  -2.685   5.400
   87   1HB   HIS  11          HB2       HIS  11 191.287  -2.011   4.306
   88   2HB   HIS  11          HB1       HIS  11 190.011  -2.312   3.132
   89    HD1  HIS  11           HD1      HIS  11 190.921   0.019   5.947
   90    HD2  HIS  11           HD2      HIS  11 188.142  -0.298   2.873
   91    HE1  HIS  11           HE1      HIS  11 189.750   2.242   5.868
   92    HE2  HIS  11           HE2      HIS  11 188.134   2.056   3.944
   93    HA   PRO  12           HA       PRO  12 188.260  -7.115   4.454
   94   1HB   PRO  12          HB2       PRO  12 186.203  -6.075   2.626
   95   2HB   PRO  12          HB1       PRO  12 186.070  -7.292   3.892
   96   1HG   PRO  12          HG2       PRO  12 185.238  -4.609   4.047
   97   2HG   PRO  12          HG1       PRO  12 185.341  -5.764   5.382
   98   1HD   PRO  12          HD2       PRO  12 186.913  -3.439   4.989
   99   2HD   PRO  12          HD1       PRO  12 187.128  -4.684   6.230
  100    H    PHE  13           HN       PHE  13 188.146  -8.376   2.404
  101    HA   PHE  13           HA       PHE  13 190.165  -7.527   0.633
  102   1HB   PHE  13          HB2       PHE  13 189.407  -9.936   1.221
  103   2HB   PHE  13          HB1       PHE  13 188.213  -9.704  -0.052
  104    HD1  PHE  13           HD1      PHE  13 191.303 -11.051   0.605
  105    HD2  PHE  13           HD2      PHE  13 189.336  -8.600  -2.268
  106    HE1  PHE  13           HE1      PHE  13 192.987 -11.679  -1.076
  107    HE2  PHE  13           HE2      PHE  13 191.019  -9.225  -3.954
  108    HZ   PHE  13           HZ       PHE  13 192.847 -10.766  -3.360
  109    H    GLU  14           HN       GLU  14 186.645  -7.723   0.314
  110    HA   GLU  14           HA       GLU  14 186.445  -6.972  -2.365
  111   1HB   GLU  14          HB2       GLU  14 184.595  -6.618  -0.017
  112   2HB   GLU  14          HB1       GLU  14 184.154  -6.064  -1.627
  113   1HG   GLU  14          HG2       GLU  14 185.110  -8.796  -1.644
  114   2HG   GLU  14          HG1       GLU  14 183.733  -8.579  -0.564
  115    H    LYS  15           HN       LYS  15 187.256  -5.131   0.424
  116    HA   LYS  15           HA       LYS  15 186.651  -2.567  -0.751
  117   1HB   LYS  15          HB2       LYS  15 188.327  -3.110   1.698
  118   2HB   LYS  15          HB1       LYS  15 187.472  -1.629   1.285
  119   1HG   LYS  15          HG2       LYS  15 185.808  -4.045   1.520
  120   2HG   LYS  15          HG1       LYS  15 186.547  -3.459   3.008
  121   1HD   LYS  15          HD2       LYS  15 185.651  -1.177   2.400
  122   2HD   LYS  15          HD1       LYS  15 184.705  -1.987   1.147
  123   1HE   LYS  15          HE2       LYS  15 183.846  -3.489   3.024
  124   2HE   LYS  15          HE1       LYS  15 184.531  -2.301   4.130
  125   1HZ   LYS  15          HZ1       LYS  15 182.942  -0.799   3.645
  126   2HZ   LYS  15          HZ2       LYS  15 182.049  -2.170   3.216
  127   3HZ   LYS  15          HZ3       LYS  15 182.822  -1.258   2.020
  128    H    ARG  16           HN       ARG  16 189.698  -3.948   0.498
  129    HA   ARG  16           HA       ARG  16 191.416  -2.168  -0.745
  130   1HB   ARG  16          HB2       ARG  16 193.133  -4.007  -0.553
  131   2HB   ARG  16          HB1       ARG  16 192.291  -3.604   0.937
  132   1HG   ARG  16          HG2       ARG  16 190.802  -5.544   0.567
  133   2HG   ARG  16          HG1       ARG  16 191.764  -5.970  -0.845
  134   1HD   ARG  16          HD2       ARG  16 193.332  -6.931   0.412
  135   2HD   ARG  16          HD1       ARG  16 193.427  -5.531   1.479
  136    HE   ARG  16           HE       ARG  16 191.147  -6.756   2.267
  137   1HH1  ARG  16          HH11      ARG  16 194.423  -7.872   1.808
  138   2HH1  ARG  16          HH12      ARG  16 194.314  -9.087   3.037
  139   1HH2  ARG  16          HH21      ARG  16 191.003  -8.353   3.883
  140   2HH2  ARG  16          HH22      ARG  16 192.372  -9.361   4.215
  141    H    ARG  17           HN       ARG  17 189.692  -4.874  -2.072
  142    HA   ARG  17           HA       ARG  17 191.268  -4.983  -4.493
  143   1HB   ARG  17          HB2       ARG  17 190.206  -7.019  -3.618
  144   2HB   ARG  17          HB1       ARG  17 188.622  -6.284  -3.828
  145   1HG   ARG  17          HG2       ARG  17 189.009  -6.159  -6.245
  146   2HG   ARG  17          HG1       ARG  17 190.579  -6.933  -6.023
  147   1HD   ARG  17          HD2       ARG  17 189.478  -8.907  -5.108
  148   2HD   ARG  17          HD1       ARG  17 187.908  -8.133  -5.307
  149    HE   ARG  17           HE       ARG  17 188.918  -8.072  -7.803
  150   1HH1  ARG  17          HH11      ARG  17 188.569 -10.638  -5.462
  151   2HH1  ARG  17          HH12      ARG  17 188.403 -11.877  -6.660
  152   1HH2  ARG  17          HH21      ARG  17 188.699  -9.702  -9.380
  153   2HH2  ARG  17          HH22      ARG  17 188.477 -11.347  -8.883
  154    H    SER  18           HN       SER  18 187.988  -3.950  -3.590
  155    HA   SER  18           HA       SER  18 186.994  -3.132  -5.989
  156   1HB   SER  18          HB2       SER  18 185.563  -2.976  -4.108
  157   2HB   SER  18          HB1       SER  18 186.685  -1.925  -3.243
  158    HG   SER  18           HG       SER  18 185.183  -1.274  -5.563
  159    H    GLU  19           HN       GLU  19 189.107  -1.278  -3.834
  160    HA   GLU  19           HA       GLU  19 189.237   1.030  -5.471
  161   1HB   GLU  19          HB2       GLU  19 190.377   0.109  -2.986
  162   2HB   GLU  19          HB1       GLU  19 191.594   0.911  -3.966
  163   1HG   GLU  19          HG2       GLU  19 190.619   2.934  -3.782
  164   2HG   GLU  19          HG1       GLU  19 188.988   2.267  -3.725
  165    H    GLY  20           HN       GLY  20 191.286  -1.828  -5.117
  166   1HA   GLY  20          HA2       GLY  20 193.335  -0.970  -6.867
  167   2HA   GLY  20          HA1       GLY  20 193.016  -2.632  -6.393
  168    H    GLU  21           HN       GLU  21 190.706  -3.321  -7.433
  169    HA   GLU  21           HA       GLU  21 191.178  -3.815 -10.091
  170   1HB   GLU  21          HB2       GLU  21 189.601  -5.177  -9.056
  171   2HB   GLU  21          HB1       GLU  21 188.681  -3.815  -8.434
  172   1HG   GLU  21          HG2       GLU  21 187.484  -3.594 -10.312
  173   2HG   GLU  21          HG1       GLU  21 188.845  -4.002 -11.355
  174    H    LYS  22           HN       LYS  22 189.865  -0.954  -8.633
  175    HA   LYS  22           HA       LYS  22 188.914   0.051 -11.199
  176   1HB   LYS  22          HB2       LYS  22 187.381   0.634  -9.567
  177   2HB   LYS  22          HB1       LYS  22 188.617   0.916  -8.352
  178   1HG   LYS  22          HG2       LYS  22 188.605   2.741 -10.676
  179   2HG   LYS  22          HG1       LYS  22 187.257   2.878  -9.547
  180   1HD   LYS  22          HD2       LYS  22 189.655   2.654  -8.034
  181   2HD   LYS  22          HD1       LYS  22 189.907   3.878  -9.281
  182   1HE   LYS  22          HE2       LYS  22 187.881   5.034  -8.566
  183   2HE   LYS  22          HE1       LYS  22 187.599   3.801  -7.339
  184   1HZ   LYS  22          HZ1       LYS  22 188.668   5.331  -6.080
  185   2HZ   LYS  22          HZ2       LYS  22 189.542   5.978  -7.375
  186   3HZ   LYS  22          HZ3       LYS  22 190.036   4.525  -6.665
  187    H    ILE  23           HN       ILE  23 191.230   0.917  -8.664
  188    HA   ILE  23           HA       ILE  23 192.365   3.147  -9.920
  189    HB   ILE  23           HB       ILE  23 193.416   1.179  -7.900
  190   1HG1  ILE  23          HG12      ILE  23 192.924   4.086  -7.426
  191   2HG1  ILE  23          HG11      ILE  23 191.549   2.993  -7.540
  192   1HG2  ILE  23          HG21      ILE  23 194.818   3.763  -8.424
  193   2HG2  ILE  23          HG22      ILE  23 195.235   2.328  -9.358
  194   3HG2  ILE  23          HG23      ILE  23 195.403   2.319  -7.605
  195   1HD1  ILE  23          HD11      ILE  23 193.212   3.511  -5.323
  196   2HD1  ILE  23          HD12      ILE  23 193.462   1.832  -5.801
  197   3HD1  ILE  23          HD13      ILE  23 191.838   2.412  -5.435
  198    H    ARG  24           HN       ARG  24 192.736  -0.250 -10.463
  199    HA   ARG  24           HA       ARG  24 195.187  -0.027 -11.966
  200   1HB   ARG  24          HB2       ARG  24 193.230  -2.295 -11.565
  201   2HB   ARG  24          HB1       ARG  24 194.715  -2.439 -12.497
  202   1HG   ARG  24          HG2       ARG  24 194.555  -1.733  -9.574
  203   2HG   ARG  24          HG1       ARG  24 194.953  -3.322 -10.226
  204   1HD   ARG  24          HD2       ARG  24 196.511  -0.806 -10.780
  205   2HD   ARG  24          HD1       ARG  24 196.929  -1.978  -9.534
  206    HE   ARG  24           HE       ARG  24 197.032  -3.608 -11.496
  207   1HH1  ARG  24          HH11      ARG  24 197.855  -0.217 -11.757
  208   2HH1  ARG  24          HH12      ARG  24 198.942  -0.462 -13.080
  209   1HH2  ARG  24          HH21      ARG  24 198.463  -3.917 -13.232
  210   2HH2  ARG  24          HH22      ARG  24 199.288  -2.556 -13.916
  211    H    LYS  25           HN       LYS  25 191.749  -0.480 -12.633
  212    HA   LYS  25           HA       LYS  25 192.060  -0.673 -15.466
  213   1HB   LYS  25          HB2       LYS  25 189.662  -0.111 -13.726
  214   2HB   LYS  25          HB1       LYS  25 189.586  -0.446 -15.454
  215   1HG   LYS  25          HG2       LYS  25 190.434  -2.664 -15.121
  216   2HG   LYS  25          HG1       LYS  25 190.735  -2.334 -13.413
  217   1HD   LYS  25          HD2       LYS  25 188.693  -3.637 -13.697
  218   2HD   LYS  25          HD1       LYS  25 188.323  -2.034 -13.059
  219   1HE   LYS  25          HE2       LYS  25 187.177  -1.428 -14.897
  220   2HE   LYS  25          HE1       LYS  25 188.308  -2.229 -15.988
  221   1HZ   LYS  25          HZ1       LYS  25 187.101  -4.110 -15.995
  222   2HZ   LYS  25          HZ2       LYS  25 185.832  -3.090 -15.538
  223   3HZ   LYS  25          HZ3       LYS  25 186.661  -3.985 -14.366
  224    H    LYS  26           HN       LYS  26 191.193   1.887 -13.207
  225    HA   LYS  26           HA       LYS  26 190.650   3.806 -15.242
  226   1HB   LYS  26          HB2       LYS  26 189.902   3.631 -12.691
  227   2HB   LYS  26          HB1       LYS  26 191.292   4.689 -12.493
  228   1HG   LYS  26          HG2       LYS  26 190.354   6.348 -13.868
  229   2HG   LYS  26          HG1       LYS  26 189.120   5.244 -14.482
  230   1HD   LYS  26          HD2       LYS  26 187.819   5.445 -12.625
  231   2HD   LYS  26          HD1       LYS  26 189.198   5.713 -11.556
  232   1HE   LYS  26          HE2       LYS  26 189.113   7.945 -11.809
  233   2HE   LYS  26          HE1       LYS  26 188.770   7.833 -13.535
  234   1HZ   LYS  26          HZ1       LYS  26 186.756   7.331 -11.414
  235   2HZ   LYS  26          HZ2       LYS  26 186.477   7.455 -13.077
  236   3HZ   LYS  26          HZ3       LYS  26 186.951   8.819 -12.196
  237    H    TYR  27           HN       TYR  27 193.360   2.976 -13.191
  238    HA   TYR  27           HA       TYR  27 195.010   4.888 -14.712
  239   1HB   TYR  27          HB2       TYR  27 195.893   4.066 -11.992
  240   2HB   TYR  27          HB1       TYR  27 196.139   5.588 -12.839
  241    HD1  TYR  27           HD1      TYR  27 195.006   4.674  -9.939
  242    HD2  TYR  27           HD2      TYR  27 193.351   6.352 -13.479
  243    HE1  TYR  27           HE1      TYR  27 193.203   5.685  -8.605
  244    HE2  TYR  27           HE2      TYR  27 191.545   7.372 -12.158
  245    HH   TYR  27           HH       TYR  27 191.580   7.954  -9.129
  246    HA   PRO  28           HA       PRO  28 196.781   0.785 -15.603
  247   1HB   PRO  28          HB2       PRO  28 197.737   2.031 -18.055
  248   2HB   PRO  28          HB1       PRO  28 196.591   0.705 -17.858
  249   1HG   PRO  28          HG2       PRO  28 195.856   3.163 -18.743
  250   2HG   PRO  28          HG1       PRO  28 194.773   2.108 -17.819
  251   1HD   PRO  28          HD2       PRO  28 196.393   4.448 -16.882
  252   2HD   PRO  28          HD1       PRO  28 194.720   4.002 -16.479
  253    H    ASP  29           HN       ASP  29 198.175   3.916 -15.314
  254    HA   ASP  29           HA       ASP  29 200.894   2.816 -15.444
  255   1HB   ASP  29          HB2       ASP  29 200.099   5.723 -15.253
  256   2HB   ASP  29          HB1       ASP  29 201.682   5.072 -15.670
  257    H    ARG  30           HN       ARG  30 198.519   3.896 -13.220
  258    HA   ARG  30           HA       ARG  30 200.482   4.383 -11.111
  259   1HB   ARG  30          HB2       ARG  30 197.598   4.965 -11.500
  260   2HB   ARG  30          HB1       ARG  30 198.129   4.685  -9.850
  261   1HG   ARG  30          HG2       ARG  30 199.925   6.489 -11.182
  262   2HG   ARG  30          HG1       ARG  30 198.260   7.058 -11.312
  263   1HD   ARG  30          HD2       ARG  30 198.368   6.280  -8.711
  264   2HD   ARG  30          HD1       ARG  30 200.009   6.863  -8.971
  265    HE   ARG  30           HE       ARG  30 197.678   8.446  -8.714
  266   1HH1  ARG  30          HH11      ARG  30 200.694   8.267 -10.461
  267   2HH1  ARG  30          HH12      ARG  30 200.799   9.978 -10.706
  268   1HH2  ARG  30          HH21      ARG  30 197.813  10.699  -9.036
  269   2HH2  ARG  30          HH22      ARG  30 199.164  11.358  -9.897
  270    H    VAL  31           HN       VAL  31 200.290   3.312  -9.039
  271    HA   VAL  31           HA       VAL  31 198.970   0.690  -9.161
  272    HB   VAL  31           HB       VAL  31 200.830  -0.387  -8.047
  273   1HG1  VAL  31          HG11      VAL  31 201.005   0.771 -10.688
  274   2HG1  VAL  31          HG12      VAL  31 201.428  -0.849 -10.132
  275   3HG1  VAL  31          HG13      VAL  31 202.602   0.462 -10.004
  276   1HG2  VAL  31          HG21      VAL  31 202.215   0.829  -6.798
  277   2HG2  VAL  31          HG22      VAL  31 201.714   2.330  -7.586
  278   3HG2  VAL  31          HG23      VAL  31 202.995   1.347  -8.294
  279    HA   PRO  32           HA       PRO  32 197.287   2.295  -5.321
  280   1HB   PRO  32          HB2       PRO  32 195.973   0.013  -4.596
  281   2HB   PRO  32          HB1       PRO  32 195.341   1.160  -5.783
  282   1HG   PRO  32          HG2       PRO  32 196.812  -1.409  -6.229
  283   2HG   PRO  32          HG1       PRO  32 195.376  -0.786  -7.063
  284   1HD   PRO  32          HD2       PRO  32 197.827  -0.620  -8.151
  285   2HD   PRO  32          HD1       PRO  32 196.620   0.664  -8.377
  286    H    VAL  33           HN       VAL  33 198.853   2.525  -3.821
  287    HA   VAL  33           HA       VAL  33 200.070   0.083  -2.724
  288    HB   VAL  33           HB       VAL  33 201.168   2.894  -2.750
  289   1HG1  VAL  33          HG11      VAL  33 201.847   1.682  -0.747
  290   2HG1  VAL  33          HG12      VAL  33 203.210   1.921  -1.840
  291   3HG1  VAL  33          HG13      VAL  33 202.425   0.346  -1.743
  292   1HG2  VAL  33          HG21      VAL  33 202.039   0.424  -4.265
  293   2HG2  VAL  33          HG22      VAL  33 202.824   2.007  -4.307
  294   3HG2  VAL  33          HG23      VAL  33 201.191   1.819  -4.945
  295    H    ILE  34           HN       ILE  34 200.355  -0.155  -0.527
  296    HA   ILE  34           HA       ILE  34 198.970   1.767   1.207
  297    HB   ILE  34           HB       ILE  34 198.740  -1.234   1.358
  298   1HG1  ILE  34          HG12      ILE  34 197.274  -0.079  -0.291
  299   2HG1  ILE  34          HG11      ILE  34 196.380  -0.883   0.995
  300   1HG2  ILE  34          HG21      ILE  34 198.394  -1.051   3.538
  301   2HG2  ILE  34          HG22      ILE  34 197.038   0.033   3.223
  302   3HG2  ILE  34          HG23      ILE  34 198.657   0.689   3.455
  303   1HD1  ILE  34          HD11      ILE  34 196.973   1.850   1.685
  304   2HD1  ILE  34          HD12      ILE  34 195.421   1.012   1.609
  305   3HD1  ILE  34          HD13      ILE  34 196.106   1.737   0.154
  306    H    VAL  35           HN       VAL  35 201.011   2.617   1.748
  307    HA   VAL  35           HA       VAL  35 203.149   1.020   2.728
  308    HB   VAL  35           HB       VAL  35 202.682   3.979   3.093
  309   1HG1  VAL  35          HG11      VAL  35 205.359   3.650   2.951
  310   2HG1  VAL  35          HG12      VAL  35 204.890   2.164   3.777
  311   3HG1  VAL  35          HG13      VAL  35 204.446   3.731   4.458
  312   1HG2  VAL  35          HG21      VAL  35 204.158   4.207   1.114
  313   2HG2  VAL  35          HG22      VAL  35 202.616   3.432   0.751
  314   3HG2  VAL  35          HG23      VAL  35 204.080   2.458   0.898
  315    H    GLU  36           HN       GLU  36 203.938   0.798   4.837
  316    HA   GLU  36           HA       GLU  36 202.158   1.594   7.035
  317   1HB   GLU  36          HB2       GLU  36 202.971  -1.167   6.241
  318   2HB   GLU  36          HB1       GLU  36 202.903  -0.801   7.961
  319   1HG   GLU  36          HG2       GLU  36 200.773  -1.484   7.703
  320   2HG   GLU  36          HG1       GLU  36 200.546   0.199   7.249
  321    H    LYS  37           HN       LYS  37 203.206   1.388   9.183
  322    HA   LYS  37           HA       LYS  37 206.069   2.013   8.981
  323   1HB   LYS  37          HB2       LYS  37 204.216   3.512  10.167
  324   2HB   LYS  37          HB1       LYS  37 204.521   2.414  11.507
  325   1HG   LYS  37          HG2       LYS  37 207.057   3.118  10.759
  326   2HG   LYS  37          HG1       LYS  37 206.148   4.598  10.469
  327   1HD   LYS  37          HD2       LYS  37 206.877   4.749  12.694
  328   2HD   LYS  37          HD1       LYS  37 205.177   4.293  12.790
  329   1HE   LYS  37          HE2       LYS  37 206.379   1.864  12.697
  330   2HE   LYS  37          HE1       LYS  37 207.583   2.812  13.573
  331   1HZ   LYS  37          HZ1       LYS  37 204.717   2.753  14.329
  332   2HZ   LYS  37          HZ2       LYS  37 206.015   3.348  15.236
  333   3HZ   LYS  37          HZ3       LYS  37 205.860   1.684  14.975
  334    H    ALA  38           HN       ALA  38 206.831  -0.071   8.869
  335    HA   ALA  38           HA       ALA  38 206.302  -2.380  10.025
  336   1HB   ALA  38          HB1       ALA  38 209.047  -1.145  10.029
  337   2HB   ALA  38          HB2       ALA  38 208.287  -2.007   8.683
  338   3HB   ALA  38          HB3       ALA  38 208.691  -2.868  10.169
  339    HA   PRO  39           HA       PRO  39 206.010  -2.229  14.422
  340   1HB   PRO  39          HB2       PRO  39 207.180  -4.692  14.951
  341   2HB   PRO  39          HB1       PRO  39 205.475  -4.435  14.556
  342   1HG   PRO  39          HG2       PRO  39 207.728  -5.274  12.797
  343   2HG   PRO  39          HG1       PRO  39 206.048  -5.833  12.809
  344   1HD   PRO  39          HD2       PRO  39 206.938  -4.128  10.961
  345   2HD   PRO  39          HD1       PRO  39 205.301  -3.979  11.635
  346    H    LYS  40           HN       LYS  40 207.306  -1.868  16.233
  347    HA   LYS  40           HA       LYS  40 209.148  -1.296  17.419
  348   1HB   LYS  40          HB2       LYS  40 210.456  -3.187  15.473
  349   2HB   LYS  40          HB1       LYS  40 211.321  -2.425  16.798
  350   1HG   LYS  40          HG2       LYS  40 210.720  -4.528  17.610
  351   2HG   LYS  40          HG1       LYS  40 209.544  -3.420  18.319
  352   1HD   LYS  40          HD2       LYS  40 207.853  -4.093  16.815
  353   2HD   LYS  40          HD1       LYS  40 209.005  -4.932  15.774
  354   1HE   LYS  40          HE2       LYS  40 208.415  -6.785  16.869
  355   2HE   LYS  40          HE1       LYS  40 209.367  -6.155  18.211
  356   1HZ   LYS  40          HZ1       LYS  40 206.444  -5.846  17.798
  357   2HZ   LYS  40          HZ2       LYS  40 207.316  -5.046  19.008
  358   3HZ   LYS  40          HZ3       LYS  40 207.216  -6.735  19.016
  359    H    ALA  41           HN       ALA  41 208.942  -0.539  14.081
  360    HA   ALA  41           HA       ALA  41 211.242   0.832  13.517
  361   1HB   ALA  41          HB1       ALA  41 208.394   1.342  12.725
  362   2HB   ALA  41          HB2       ALA  41 209.693   0.636  11.766
  363   3HB   ALA  41          HB3       ALA  41 209.706   2.362  12.143
  364    H    ARG  42           HN       ARG  42 212.172   2.638  14.249
  365    HA   ARG  42           HA       ARG  42 210.928   4.034  16.468
  366   1HB   ARG  42          HB2       ARG  42 213.699   4.555  15.422
  367   2HB   ARG  42          HB1       ARG  42 213.076   4.820  17.045
  368   1HG   ARG  42          HG2       ARG  42 213.074   2.504  17.523
  369   2HG   ARG  42          HG1       ARG  42 213.355   2.086  15.831
  370   1HD   ARG  42          HD2       ARG  42 215.544   3.362  16.042
  371   2HD   ARG  42          HD1       ARG  42 215.261   3.354  17.782
  372    HE   ARG  42           HE       ARG  42 216.099   1.142  16.149
  373   1HH1  ARG  42          HH11      ARG  42 214.544   2.071  19.131
  374   2HH1  ARG  42          HH12      ARG  42 214.905   0.578  19.930
  375   1HH2  ARG  42          HH21      ARG  42 216.573  -0.823  17.198
  376   2HH2  ARG  42          HH22      ARG  42 216.057  -1.065  18.833
  377    H    ILE  43           HN       ILE  43 209.856   4.462  13.947
  378    HA   ILE  43           HA       ILE  43 210.458   7.316  13.494
  379    HB   ILE  43           HB       ILE  43 209.314   6.735  11.204
  380   1HG1  ILE  43          HG12      ILE  43 210.592   4.113  11.978
  381   2HG1  ILE  43          HG11      ILE  43 208.859   4.391  11.836
  382   1HG2  ILE  43          HG21      ILE  43 212.157   6.358  12.033
  383   2HG2  ILE  43          HG22      ILE  43 211.426   7.675  11.116
  384   3HG2  ILE  43          HG23      ILE  43 211.671   6.102  10.356
  385   1HD1  ILE  43          HD11      ILE  43 210.857   3.889   9.779
  386   2HD1  ILE  43          HD12      ILE  43 209.760   5.224   9.415
  387   3HD1  ILE  43          HD13      ILE  43 209.110   3.621   9.780
  388    H    GLY  44           HN       GLY  44 208.561   8.430  12.417
  389   1HA   GLY  44          HA2       GLY  44 206.348   8.310  14.198
  390   2HA   GLY  44          HA1       GLY  44 206.462   9.310  12.759
  391    H    ASP  45           HN       ASP  45 204.287   7.564  13.947
  392    HA   ASP  45           HA       ASP  45 203.902   5.479  11.995
  393   1HB   ASP  45          HB2       ASP  45 201.874   4.983  13.185
  394   2HB   ASP  45          HB1       ASP  45 203.139   5.305  14.367
  395    H    LEU  46           HN       LEU  46 202.797   5.576  10.158
  396    HA   LEU  46           HA       LEU  46 201.759   8.131   9.288
  397   1HB   LEU  46          HB2       LEU  46 202.845   5.781   8.054
  398   2HB   LEU  46          HB1       LEU  46 201.288   6.144   7.336
  399    HG   LEU  46           HG       LEU  46 203.062   8.464   7.634
  400   1HD1  LEU  46          HD11      LEU  46 204.324   7.774   5.544
  401   2HD1  LEU  46          HD12      LEU  46 203.811   6.126   5.905
  402   3HD1  LEU  46          HD13      LEU  46 204.815   7.009   7.055
  403   1HD2  LEU  46          HD21      LEU  46 201.034   8.757   6.463
  404   2HD2  LEU  46          HD22      LEU  46 201.298   7.309   5.492
  405   3HD2  LEU  46          HD23      LEU  46 202.300   8.737   5.235
  406    H    ASP  47           HN       ASP  47 199.669   8.651   8.947
  407    HA   ASP  47           HA       ASP  47 197.654   6.632   9.681
  408   1HB   ASP  47          HB2       ASP  47 196.203   8.538  10.296
  409   2HB   ASP  47          HB1       ASP  47 197.698   8.517  11.226
  410    H    LYS  48           HN       LYS  48 198.867   7.109   7.027
  411    HA   LYS  48           HA       LYS  48 196.463   7.927   5.535
  412   1HB   LYS  48          HB2       LYS  48 198.340   9.377   5.052
  413   2HB   LYS  48          HB1       LYS  48 199.379   7.995   4.739
  414   1HG   LYS  48          HG2       LYS  48 197.780   7.427   2.841
  415   2HG   LYS  48          HG1       LYS  48 197.124   9.049   3.069
  416   1HD   LYS  48          HD2       LYS  48 199.531   9.872   2.852
  417   2HD   LYS  48          HD1       LYS  48 199.909   8.255   2.254
  418   1HE   LYS  48          HE2       LYS  48 199.479   9.301   0.273
  419   2HE   LYS  48          HE1       LYS  48 197.854   8.745   0.670
  420   1HZ   LYS  48          HZ1       LYS  48 198.448  11.264   0.039
  421   2HZ   LYS  48          HZ2       LYS  48 198.575  11.349   1.722
  422   3HZ   LYS  48          HZ3       LYS  48 197.132  10.830   1.010
  423    H    LYS  49           HN       LYS  49 199.275   5.762   5.312
  424    HA   LYS  49           HA       LYS  49 199.517   3.628   4.612
  425   1HB   LYS  49          HB2       LYS  49 196.592   3.674   5.223
  426   2HB   LYS  49          HB1       LYS  49 197.261   2.283   4.378
  427   1HG   LYS  49          HG2       LYS  49 198.790   3.099   6.731
  428   2HG   LYS  49          HG1       LYS  49 197.142   2.565   7.075
  429   1HD   LYS  49          HD2       LYS  49 197.927   0.675   5.310
  430   2HD   LYS  49          HD1       LYS  49 199.462   1.047   6.088
  431   1HE   LYS  49          HE2       LYS  49 196.971  -0.118   7.235
  432   2HE   LYS  49          HE1       LYS  49 198.637  -0.639   7.434
  433   1HZ   LYS  49          HZ1       LYS  49 198.739   1.753   8.588
  434   2HZ   LYS  49          HZ2       LYS  49 198.388   0.330   9.432
  435   3HZ   LYS  49          HZ3       LYS  49 197.132   1.343   8.927
  436    H    LYS  50           HN       LYS  50 196.562   4.855   3.000
  437    HA   LYS  50           HA       LYS  50 197.058   3.512   0.577
  438   1HB   LYS  50          HB2       LYS  50 195.368   5.940   1.176
  439   2HB   LYS  50          HB1       LYS  50 195.360   5.096  -0.366
  440   1HG   LYS  50          HG2       LYS  50 194.948   3.149   1.629
  441   2HG   LYS  50          HG1       LYS  50 193.905   4.514   2.018
  442   1HD   LYS  50          HD2       LYS  50 192.822   2.833   0.551
  443   2HD   LYS  50          HD1       LYS  50 192.907   4.440  -0.175
  444   1HE   LYS  50          HE2       LYS  50 195.261   3.198  -0.966
  445   2HE   LYS  50          HE1       LYS  50 194.041   1.932  -1.073
  446   1HZ   LYS  50          HZ1       LYS  50 192.967   2.978  -2.742
  447   2HZ   LYS  50          HZ2       LYS  50 194.493   3.649  -3.022
  448   3HZ   LYS  50          HZ3       LYS  50 193.326   4.531  -2.174
  449    H    TYR  51           HN       TYR  51 198.063   4.049  -1.272
  450    HA   TYR  51           HA       TYR  51 199.123   6.734  -1.653
  451   1HB   TYR  51          HB2       TYR  51 200.828   4.272  -1.369
  452   2HB   TYR  51          HB1       TYR  51 201.371   5.657  -2.308
  453    HD1  TYR  51           HD1      TYR  51 200.570   4.419   1.021
  454    HD2  TYR  51           HD2      TYR  51 202.015   7.718  -1.219
  455    HE1  TYR  51           HE1      TYR  51 201.377   5.461   3.102
  456    HE2  TYR  51           HE2      TYR  51 202.830   8.778   0.845
  457    HH   TYR  51           HH       TYR  51 203.288   7.213   3.654
  458    H    LEU  52           HN       LEU  52 198.612   7.296  -3.651
  459    HA   LEU  52           HA       LEU  52 198.299   5.193  -5.679
  460   1HB   LEU  52          HB2       LEU  52 196.599   7.218  -5.008
  461   2HB   LEU  52          HB1       LEU  52 197.485   7.963  -6.322
  462    HG   LEU  52           HG       LEU  52 196.773   6.276  -7.868
  463   1HD1  LEU  52          HD11      LEU  52 196.217   4.773  -5.423
  464   2HD1  LEU  52          HD12      LEU  52 196.613   4.203  -7.043
  465   3HD1  LEU  52          HD13      LEU  52 194.953   4.646  -6.646
  466   1HD2  LEU  52          HD21      LEU  52 194.134   6.409  -6.979
  467   2HD2  LEU  52          HD22      LEU  52 194.950   7.529  -8.069
  468   3HD2  LEU  52          HD23      LEU  52 194.908   7.858  -6.338
  469    H    VAL  53           HN       VAL  53 200.627   5.060  -5.816
  470    HA   VAL  53           HA       VAL  53 201.931   7.334  -7.119
  471    HB   VAL  53           HB       VAL  53 203.873   5.378  -6.848
  472   1HG1  VAL  53          HG11      VAL  53 204.587   6.813  -4.871
  473   2HG1  VAL  53          HG12      VAL  53 203.120   7.747  -5.160
  474   3HG1  VAL  53          HG13      VAL  53 204.356   7.639  -6.412
  475   1HG2  VAL  53          HG21      VAL  53 202.043   5.298  -4.454
  476   2HG2  VAL  53          HG22      VAL  53 203.713   4.737  -4.440
  477   3HG2  VAL  53          HG23      VAL  53 202.529   3.950  -5.481
  478    HA   PRO  54           HA       PRO  54 201.991   5.713 -11.197
  479   1HB   PRO  54          HB2       PRO  54 204.919   6.198 -11.221
  480   2HB   PRO  54          HB1       PRO  54 203.669   6.806 -12.311
  481   1HG   PRO  54          HG2       PRO  54 204.795   8.401 -10.494
  482   2HG   PRO  54          HG1       PRO  54 203.067   8.524 -10.877
  483   1HD   PRO  54          HD2       PRO  54 204.404   7.278  -8.510
  484   2HD   PRO  54          HD1       PRO  54 202.893   8.207  -8.596
  485    H    SER  55           HN       SER  55 203.769   4.378 -12.593
  486    HA   SER  55           HA       SER  55 204.282   1.947 -11.011
  487   1HB   SER  55          HB2       SER  55 203.988   0.671 -13.073
  488   2HB   SER  55          HB1       SER  55 202.575   1.689 -12.798
  489    HG   SER  55           HG       SER  55 204.650   1.998 -14.679
  490    H    ASP  56           HN       ASP  56 205.734   4.476 -12.731
  491    HA   ASP  56           HA       ASP  56 208.171   2.935 -13.239
  492   1HB   ASP  56          HB2       ASP  56 207.487   5.770 -14.054
  493   2HB   ASP  56          HB1       ASP  56 208.910   4.859 -14.552
  494    H    LEU  57           HN       LEU  57 206.747   4.803 -10.876
  495    HA   LEU  57           HA       LEU  57 208.822   6.432  -9.983
  496   1HB   LEU  57          HB2       LEU  57 206.514   6.603  -9.165
  497   2HB   LEU  57          HB1       LEU  57 206.702   5.066  -8.336
  498    HG   LEU  57           HG       LEU  57 208.762   6.350  -7.242
  499   1HD1  LEU  57          HD11      LEU  57 208.242   8.376  -8.629
  500   2HD1  LEU  57          HD12      LEU  57 208.379   8.652  -6.893
  501   3HD1  LEU  57          HD13      LEU  57 206.788   8.575  -7.652
  502   1HD2  LEU  57          HD21      LEU  57 206.836   7.228  -5.576
  503   2HD2  LEU  57          HD22      LEU  57 207.378   5.553  -5.655
  504   3HD2  LEU  57          HD23      LEU  57 205.925   6.049  -6.519
  505    H    THR  58           HN       THR  58 210.809   5.772  -9.548
  506    HA   THR  58           HA       THR  58 211.466   3.112  -8.816
  507    HB   THR  58           HB       THR  58 213.702   4.456  -8.152
  508    HG1  THR  58           HG1      THR  58 212.601   6.086 -10.172
  509   1HG2  THR  58          HG21      THR  58 214.425   3.345  -9.912
  510   2HG2  THR  58          HG22      THR  58 213.647   4.513 -10.981
  511   3HG2  THR  58          HG23      THR  58 212.761   3.087 -10.439
  512    H    VAL  59           HN       VAL  59 212.119   2.242  -6.898
  513    HA   VAL  59           HA       VAL  59 210.802   2.874  -4.588
  514    HB   VAL  59           HB       VAL  59 213.368   1.407  -5.082
  515   1HG1  VAL  59          HG11      VAL  59 213.758   2.311  -2.906
  516   2HG1  VAL  59          HG12      VAL  59 213.257   0.633  -2.693
  517   3HG1  VAL  59          HG13      VAL  59 212.112   1.940  -2.394
  518   1HG2  VAL  59          HG21      VAL  59 212.112  -0.479  -4.970
  519   2HG2  VAL  59          HG22      VAL  59 210.856   0.645  -5.489
  520   3HG2  VAL  59          HG23      VAL  59 210.994   0.198  -3.788
  521    H    GLY  60           HN       GLY  60 213.877   4.145  -5.738
  522   1HA   GLY  60          HA2       GLY  60 214.691   5.451  -3.376
  523   2HA   GLY  60          HA1       GLY  60 215.166   5.906  -5.008
  524    H    GLN  61           HN       GLN  61 212.458   6.340  -5.918
  525    HA   GLN  61           HA       GLN  61 212.138   9.063  -5.089
  526   1HB   GLN  61          HB2       GLN  61 210.447   7.315  -6.872
  527   2HB   GLN  61          HB1       GLN  61 210.224   9.047  -6.650
  528   1HG   GLN  61          HG2       GLN  61 212.535   9.389  -7.453
  529   2HG   GLN  61          HG1       GLN  61 212.613   7.669  -7.824
  530   1HE2  GLN  61          HE21      GLN  61 209.999   7.335  -8.766
  531   2HE2  GLN  61          HE22      GLN  61 209.851   8.148 -10.284
  532    H    PHE  62           HN       PHE  62 210.163   6.117  -4.827
  533    HA   PHE  62           HA       PHE  62 208.005   7.094  -3.426
  534   1HB   PHE  62          HB2       PHE  62 208.478   4.709  -4.291
  535   2HB   PHE  62          HB1       PHE  62 209.251   4.446  -2.732
  536    HD1  PHE  62           HD1      PHE  62 207.845   2.947  -1.663
  537    HD2  PHE  62           HD2      PHE  62 206.203   6.415  -3.498
  538    HE1  PHE  62           HE1      PHE  62 205.652   2.429  -0.671
  539    HE2  PHE  62           HE2      PHE  62 204.008   5.906  -2.510
  540    HZ   PHE  62           HZ       PHE  62 203.732   3.913  -1.096
  541    H    TYR  63           HN       TYR  63 211.142   6.065  -2.164
  542    HA   TYR  63           HA       TYR  63 210.681   6.180   0.559
  543   1HB   TYR  63          HB2       TYR  63 213.037   6.548  -1.203
  544   2HB   TYR  63          HB1       TYR  63 213.195   7.170   0.434
  545    HD1  TYR  63           HD1      TYR  63 213.800   4.449  -1.581
  546    HD2  TYR  63           HD2      TYR  63 212.311   5.394   2.285
  547    HE1  TYR  63           HE1      TYR  63 214.404   2.196  -0.806
  548    HE2  TYR  63           HE2      TYR  63 212.910   3.154   3.075
  549    HH   TYR  63           HH       TYR  63 214.928   1.283   1.962
  550    H    PHE  64           HN       PHE  64 212.372   8.709  -1.193
  551    HA   PHE  64           HA       PHE  64 212.379  10.771   0.526
  552   1HB   PHE  64          HB2       PHE  64 213.455  11.144  -1.496
  553   2HB   PHE  64          HB1       PHE  64 212.075  10.607  -2.442
  554    HD1  PHE  64           HD1      PHE  64 210.584  12.132  -3.354
  555    HD2  PHE  64           HD2      PHE  64 213.329  13.410  -0.362
  556    HE1  PHE  64           HE1      PHE  64 209.977  14.476  -3.802
  557    HE2  PHE  64           HE2      PHE  64 212.724  15.754  -0.801
  558    HZ   PHE  64           HZ       PHE  64 211.047  16.290  -2.525
  559    H    LEU  65           HN       LEU  65 209.546   9.721  -1.310
  560    HA   LEU  65           HA       LEU  65 207.971  11.979  -0.544
  561   1HB   LEU  65          HB2       LEU  65 206.571  11.225  -2.095
  562   2HB   LEU  65          HB1       LEU  65 207.757   9.979  -2.436
  563    HG   LEU  65           HG       LEU  65 206.602   8.605  -0.656
  564   1HD1  LEU  65          HD11      LEU  65 205.218  10.939  -0.205
  565   2HD1  LEU  65          HD12      LEU  65 204.744   9.339   0.364
  566   3HD1  LEU  65          HD13      LEU  65 204.071   9.975  -1.135
  567   1HD2  LEU  65          HD21      LEU  65 206.429   8.333  -3.156
  568   2HD2  LEU  65          HD22      LEU  65 204.924   9.247  -3.070
  569   3HD2  LEU  65          HD23      LEU  65 205.068   7.704  -2.229
  570    H    ILE  66           HN       ILE  66 208.310   8.653   0.592
  571    HA   ILE  66           HA       ILE  66 206.336   8.894   2.633
  572    HB   ILE  66           HB       ILE  66 208.584   6.914   2.254
  573   1HG1  ILE  66          HG12      ILE  66 206.920   6.744   0.518
  574   2HG1  ILE  66          HG11      ILE  66 206.711   5.388   1.623
  575   1HG2  ILE  66          HG21      ILE  66 206.655   7.259   4.459
  576   2HG2  ILE  66          HG22      ILE  66 208.259   6.523   4.454
  577   3HG2  ILE  66          HG23      ILE  66 206.869   5.614   3.863
  578   1HD1  ILE  66          HD11      ILE  66 205.075   7.543   2.505
  579   2HD1  ILE  66          HD12      ILE  66 204.598   5.949   1.927
  580   3HD1  ILE  66          HD13      ILE  66 204.801   7.276   0.785
  581    H    ARG  67           HN       ARG  67 209.820   9.355   2.448
  582    HA   ARG  67           HA       ARG  67 210.480   9.460   5.129
  583   1HB   ARG  67          HB2       ARG  67 211.726  10.170   2.675
  584   2HB   ARG  67          HB1       ARG  67 211.891  11.551   3.756
  585   1HG   ARG  67          HG2       ARG  67 213.328  10.490   5.113
  586   2HG   ARG  67          HG1       ARG  67 212.469   8.956   4.997
  587   1HD   ARG  67          HD2       ARG  67 213.463   8.560   2.805
  588   2HD   ARG  67          HD1       ARG  67 214.304  10.111   2.904
  589    HE   ARG  67           HE       ARG  67 215.138   8.824   5.125
  590   1HH1  ARG  67          HH11      ARG  67 215.037   7.923   1.756
  591   2HH1  ARG  67          HH12      ARG  67 216.422   6.887   1.862
  592   1HH2  ARG  67          HH21      ARG  67 216.960   7.463   5.267
  593   2HH2  ARG  67          HH22      ARG  67 217.513   6.626   3.855
  594    H    LYS  68           HN       LYS  68 208.815  11.840   3.166
  595    HA   LYS  68           HA       LYS  68 208.992  13.947   5.102
  596   1HB   LYS  68          HB2       LYS  68 207.028  13.649   2.829
  597   2HB   LYS  68          HB1       LYS  68 207.424  15.129   3.692
  598   1HG   LYS  68          HG2       LYS  68 209.294  15.477   2.505
  599   2HG   LYS  68          HG1       LYS  68 209.710  13.762   2.465
  600   1HD   LYS  68          HD2       LYS  68 208.045  13.388   0.726
  601   2HD   LYS  68          HD1       LYS  68 207.588  15.090   0.783
  602   1HE   LYS  68          HE2       LYS  68 210.387  14.174   0.176
  603   2HE   LYS  68          HE1       LYS  68 209.166  14.402  -1.077
  604   1HZ   LYS  68          HZ1       LYS  68 209.213  16.679   0.570
  605   2HZ   LYS  68          HZ2       LYS  68 209.597  16.561  -1.072
  606   3HZ   LYS  68          HZ3       LYS  68 210.799  16.335   0.095
  607    H    ARG  69           HN       ARG  69 206.510  11.608   4.137
  608    HA   ARG  69           HA       ARG  69 204.432  12.438   5.775
  609   1HB   ARG  69          HB2       ARG  69 205.143   9.572   5.136
  610   2HB   ARG  69          HB1       ARG  69 203.559  10.188   5.589
  611   1HG   ARG  69          HG2       ARG  69 204.669  11.544   3.271
  612   2HG   ARG  69          HG1       ARG  69 204.480   9.805   3.029
  613   1HD   ARG  69          HD2       ARG  69 202.239   9.920   3.040
  614   2HD   ARG  69          HD1       ARG  69 202.207  11.122   4.330
  615    HE   ARG  69           HE       ARG  69 203.103  12.144   1.792
  616   1HH1  ARG  69          HH11      ARG  69 200.331  11.511   3.817
  617   2HH1  ARG  69          HH12      ARG  69 199.333  12.686   3.032
  618   1HH2  ARG  69          HH21      ARG  69 201.790  13.690   0.758
  619   2HH2  ARG  69          HH22      ARG  69 200.159  13.923   1.295
  620    H    ILE  70           HN       ILE  70 207.408  10.912   6.604
  621    HA   ILE  70           HA       ILE  70 206.462  10.399   9.338
  622    HB   ILE  70           HB       ILE  70 209.039   9.354   9.184
  623   1HG1  ILE  70          HG12      ILE  70 207.532   8.446   6.732
  624   2HG1  ILE  70          HG11      ILE  70 208.792   9.674   6.669
  625   1HG2  ILE  70          HG21      ILE  70 206.823   7.509   8.606
  626   2HG2  ILE  70          HG22      ILE  70 206.613   8.546  10.017
  627   3HG2  ILE  70          HG23      ILE  70 208.017   7.485   9.902
  628   1HD1  ILE  70          HD11      ILE  70 210.414   8.166   6.778
  629   2HD1  ILE  70          HD12      ILE  70 209.164   6.989   6.375
  630   3HD1  ILE  70          HD13      ILE  70 209.614   7.256   8.059
  631    H    HIS  71           HN       HIS  71 208.284  12.555   7.488
  632    HA   HIS  71           HA       HIS  71 209.403  14.443   8.036
  633   1HB   HIS  71          HB2       HIS  71 208.956  13.669  10.925
  634   2HB   HIS  71          HB1       HIS  71 209.501  15.234  10.337
  635    HD1  HIS  71           HD1      HIS  71 206.436  13.014  10.287
  636    HD2  HIS  71           HD2      HIS  71 207.508  16.977   9.646
  637    HE1  HIS  71           HE1      HIS  71 204.270  14.264  10.034
  638    HE2  HIS  71           HE2      HIS  71 204.941  16.670   9.710
  639    H    LEU  72           HN       LEU  72 210.819  12.521   7.172
  640    HA   LEU  72           HA       LEU  72 213.184  12.360   8.925
  641   1HB   LEU  72          HB2       LEU  72 212.196  10.403   6.862
  642   2HB   LEU  72          HB1       LEU  72 213.773  10.305   7.623
  643    HG   LEU  72           HG       LEU  72 211.117  10.095   9.048
  644   1HD1  LEU  72          HD11      LEU  72 213.036   7.857   8.992
  645   2HD1  LEU  72          HD12      LEU  72 212.197   8.206   7.480
  646   3HD1  LEU  72          HD13      LEU  72 211.274   7.848   8.939
  647   1HD2  LEU  72          HD21      LEU  72 212.905  11.110  10.414
  648   2HD2  LEU  72          HD22      LEU  72 213.913   9.697  10.105
  649   3HD2  LEU  72          HD23      LEU  72 212.409   9.527  11.009
  650    H    ARG  73           HN       ARG  73 214.748  13.678   8.221
  651    HA   ARG  73           HA       ARG  73 214.804  14.622   5.522
  652   1HB   ARG  73          HB2       ARG  73 217.246  15.331   6.339
  653   2HB   ARG  73          HB1       ARG  73 215.810  16.231   6.793
  654   1HG   ARG  73          HG2       ARG  73 217.332  15.879   8.671
  655   2HG   ARG  73          HG1       ARG  73 215.757  15.133   8.945
  656   1HD   ARG  73          HD2       ARG  73 216.603  13.031   8.892
  657   2HD   ARG  73          HD1       ARG  73 217.828  13.442   7.694
  658    HE   ARG  73           HE       ARG  73 219.288  13.694   9.412
  659   1HH1  ARG  73          HH11      ARG  73 216.077  14.270  10.657
  660   2HH1  ARG  73          HH12      ARG  73 216.620  14.521  12.282
  661   1HH2  ARG  73          HH21      ARG  73 219.999  14.021  11.545
  662   2HH2  ARG  73          HH22      ARG  73 218.847  14.380  12.787
  663    H    ALA  74           HN       ALA  74 216.726  14.303   4.092
  664    HA   ALA  74           HA       ALA  74 217.053  11.702   3.343
  665   1HB   ALA  74          HB1       ALA  74 217.878  13.982   2.298
  666   2HB   ALA  74          HB2       ALA  74 218.601  12.440   1.838
  667   3HB   ALA  74          HB3       ALA  74 219.409  13.477   3.020
  668    H    GLU  75           HN       GLU  75 218.828  13.436   5.797
  669    HA   GLU  75           HA       GLU  75 220.912  11.535   6.097
  670   1HB   GLU  75          HB2       GLU  75 219.952  13.928   7.527
  671   2HB   GLU  75          HB1       GLU  75 220.947  12.802   8.442
  672   1HG   GLU  75          HG2       GLU  75 222.465  12.974   6.294
  673   2HG   GLU  75          HG1       GLU  75 221.642  14.524   6.140
  674    H    ASP  76           HN       ASP  76 217.674  11.677   7.204
  675    HA   ASP  76           HA       ASP  76 218.002   9.963   9.484
  676   1HB   ASP  76          HB2       ASP  76 215.821  11.404   8.204
  677   2HB   ASP  76          HB1       ASP  76 215.339   9.803   8.751
  678    H    ALA  77           HN       ALA  77 217.049   7.852   9.683
  679    HA   ALA  77           HA       ALA  77 217.612   6.243   7.332
  680   1HB   ALA  77          HB1       ALA  77 218.625   5.516   9.384
  681   2HB   ALA  77          HB2       ALA  77 217.420   4.329   8.883
  682   3HB   ALA  77          HB3       ALA  77 217.054   5.460  10.186
  683    H    LEU  78           HN       LEU  78 216.200   5.001   6.276
  684    HA   LEU  78           HA       LEU  78 213.544   4.449   7.178
  685   1HB   LEU  78          HB2       LEU  78 213.161   6.738   6.492
  686   2HB   LEU  78          HB1       LEU  78 213.943   6.448   4.949
  687    HG   LEU  78           HG       LEU  78 212.116   4.811   4.416
  688   1HD1  LEU  78          HD11      LEU  78 211.110   5.830   7.044
  689   2HD1  LEU  78          HD12      LEU  78 211.229   4.169   6.462
  690   3HD1  LEU  78          HD13      LEU  78 209.998   5.249   5.805
  691   1HD2  LEU  78          HD21      LEU  78 212.177   7.230   3.689
  692   2HD2  LEU  78          HD22      LEU  78 211.050   7.560   5.004
  693   3HD2  LEU  78          HD23      LEU  78 210.588   6.465   3.701
  694    H    PHE  79           HN       PHE  79 213.405   2.404   6.535
  695    HA   PHE  79           HA       PHE  79 214.273   1.735   3.800
  696   1HB   PHE  79          HB2       PHE  79 214.384  -0.085   6.216
  697   2HB   PHE  79          HB1       PHE  79 214.923  -0.480   4.589
  698    HD1  PHE  79           HD1      PHE  79 217.102  -0.014   3.908
  699    HD2  PHE  79           HD2      PHE  79 215.580   1.775   7.457
  700    HE1  PHE  79           HE1      PHE  79 219.356   0.808   4.455
  701    HE2  PHE  79           HE2      PHE  79 217.831   2.602   8.008
  702    HZ   PHE  79           HZ       PHE  79 219.722   2.120   6.506
  703    H    PHE  80           HN       PHE  80 212.832   0.695   2.542
  704    HA   PHE  80           HA       PHE  80 210.170   0.313   3.601
  705   1HB   PHE  80          HB2       PHE  80 211.329   0.187   0.824
  706   2HB   PHE  80          HB1       PHE  80 209.676  -0.313   1.162
  707    HD1  PHE  80           HD1      PHE  80 210.710   1.957  -0.653
  708    HD2  PHE  80           HD2      PHE  80 209.248   1.870   3.343
  709    HE1  PHE  80           HE1      PHE  80 209.972   4.293  -0.873
  710    HE2  PHE  80           HE2      PHE  80 208.510   4.204   3.130
  711    HZ   PHE  80           HZ       PHE  80 208.869   5.417   1.020
  712    H    PHE  81           HN       PHE  81 208.989  -1.635   3.471
  713    HA   PHE  81           HA       PHE  81 210.528  -4.059   2.954
  714   1HB   PHE  81          HB2       PHE  81 209.037  -3.554   5.534
  715   2HB   PHE  81          HB1       PHE  81 209.814  -5.069   5.078
  716    HD1  PHE  81           HD1      PHE  81 210.367  -1.600   6.119
  717    HD2  PHE  81           HD2      PHE  81 212.197  -5.321   5.163
  718    HE1  PHE  81           HE1      PHE  81 212.490  -0.797   7.071
  719    HE2  PHE  81           HE2      PHE  81 214.318  -4.528   6.117
  720    HZ   PHE  81           HZ       PHE  81 214.475  -2.260   7.067
  721    H    VAL  82           HN       VAL  82 209.335  -4.709   1.257
  722    HA   VAL  82           HA       VAL  82 206.426  -4.891   1.558
  723    HB   VAL  82           HB       VAL  82 207.936  -5.468  -0.944
  724   1HG1  VAL  82          HG11      VAL  82 205.813  -6.194  -1.328
  725   2HG1  VAL  82          HG12      VAL  82 205.641  -4.504  -1.802
  726   3HG1  VAL  82          HG13      VAL  82 205.104  -5.030  -0.207
  727   1HG2  VAL  82          HG21      VAL  82 206.785  -2.787  -0.248
  728   2HG2  VAL  82          HG22      VAL  82 207.744  -3.214  -1.663
  729   3HG2  VAL  82          HG23      VAL  82 208.493  -3.184  -0.067
  730    H    ASN  83           HN       ASN  83 205.573  -6.784   2.130
  731    HA   ASN  83           HA       ASN  83 205.308  -9.018   2.481
  732   1HB   ASN  83          HB2       ASN  83 207.197  -9.215   0.122
  733   2HB   ASN  83          HB1       ASN  83 206.358 -10.587   0.837
  734   1HD2  ASN  83          HD21      ASN  83 205.584 -10.754  -1.417
  735   2HD2  ASN  83          HD22      ASN  83 204.159  -9.876  -1.850
  736    H    ASN  84           HN       ASN  84 207.445  -7.413   3.736
  737    HA   ASN  84           HA       ASN  84 208.921  -7.792   5.429
  738   1HB   ASN  84          HB2       ASN  84 207.715 -10.145   5.427
  739   2HB   ASN  84          HB1       ASN  84 209.251 -10.685   4.755
  740   1HD2  ASN  84          HD21      ASN  84 207.599 -10.447   7.518
  741   2HD2  ASN  84          HD22      ASN  84 208.897 -10.292   8.649
  742    H    VAL  85           HN       VAL  85 209.584  -7.328   2.520
  743    HA   VAL  85           HA       VAL  85 212.435  -8.012   2.744
  744    HB   VAL  85           HB       VAL  85 210.997  -8.024   0.117
  745   1HG1  VAL  85          HG11      VAL  85 213.726  -8.658   1.074
  746   2HG1  VAL  85          HG12      VAL  85 213.199  -7.895  -0.427
  747   3HG1  VAL  85          HG13      VAL  85 213.077  -9.645  -0.235
  748   1HG2  VAL  85          HG21      VAL  85 210.038  -9.747   1.656
  749   2HG2  VAL  85          HG22      VAL  85 211.640 -10.480   1.736
  750   3HG2  VAL  85          HG23      VAL  85 210.782 -10.401   0.196
  751    H    ILE  86           HN       ILE  86 213.862  -6.527   1.848
  752    HA   ILE  86           HA       ILE  86 212.817  -3.837   1.587
  753    HB   ILE  86           HB       ILE  86 215.652  -4.871   1.605
  754   1HG1  ILE  86          HG12      ILE  86 213.775  -3.767   3.651
  755   2HG1  ILE  86          HG11      ILE  86 214.916  -5.101   3.784
  756   1HG2  ILE  86          HG21      ILE  86 214.662  -2.018   1.598
  757   2HG2  ILE  86          HG22      ILE  86 215.484  -2.830   0.265
  758   3HG2  ILE  86          HG23      ILE  86 216.340  -2.530   1.776
  759   1HD1  ILE  86          HD11      ILE  86 215.587  -3.218   5.151
  760   2HD1  ILE  86          HD12      ILE  86 215.612  -2.180   3.728
  761   3HD1  ILE  86          HD13      ILE  86 216.757  -3.514   3.867
  762    HA   PRO  87           HA       PRO  87 212.754  -4.474  -2.893
  763   1HB   PRO  87          HB2       PRO  87 211.640  -2.054  -3.481
  764   2HB   PRO  87          HB1       PRO  87 210.700  -3.456  -2.959
  765   1HG   PRO  87          HG2       PRO  87 211.653  -1.112  -1.361
  766   2HG   PRO  87          HG1       PRO  87 210.077  -1.925  -1.326
  767   1HD   PRO  87          HD2       PRO  87 211.975  -2.383   0.539
  768   2HD   PRO  87          HD1       PRO  87 210.857  -3.652  -0.003
  769    HA   PRO  88           HA       PRO  88 216.447  -2.308  -4.004
  770   1HB   PRO  88          HB2       PRO  88 215.659  -2.481  -6.815
  771   2HB   PRO  88          HB1       PRO  88 216.967  -3.314  -5.970
  772   1HG   PRO  88          HG2       PRO  88 214.765  -4.606  -6.859
  773   2HG   PRO  88          HG1       PRO  88 215.634  -5.102  -5.396
  774   1HD   PRO  88          HD2       PRO  88 213.114  -3.505  -5.653
  775   2HD   PRO  88          HD1       PRO  88 213.509  -4.817  -4.520
  776    H    THR  89           HN       THR  89 216.917  -0.200  -4.044
  777    HA   THR  89           HA       THR  89 215.036   1.821  -4.356
  778    HB   THR  89           HB       THR  89 217.130   3.294  -4.738
  779    HG1  THR  89           HG1      THR  89 218.391   1.415  -5.431
  780   1HG2  THR  89          HG21      THR  89 217.308   1.653  -2.246
  781   2HG2  THR  89          HG22      THR  89 215.978   2.779  -2.513
  782   3HG2  THR  89          HG23      THR  89 217.639   3.370  -2.478
  783    H    SER  90           HN       SER  90 216.837   0.088  -6.741
  784    HA   SER  90           HA       SER  90 216.474   2.033  -8.834
  785   1HB   SER  90          HB2       SER  90 217.464   0.340 -10.297
  786   2HB   SER  90          HB1       SER  90 218.415   0.499  -8.820
  787    HG   SER  90           HG       SER  90 217.574  -1.402  -8.077
  788    H    ALA  91           HN       ALA  91 214.865  -0.887  -7.723
  789    HA   ALA  91           HA       ALA  91 213.234  -1.404  -9.924
  790   1HB   ALA  91          HB1       ALA  91 213.503  -2.878  -7.933
  791   2HB   ALA  91          HB2       ALA  91 211.827  -2.652  -8.438
  792   3HB   ALA  91          HB3       ALA  91 212.452  -1.781  -7.037
  793    H    THR  92           HN       THR  92 210.982  -0.930 -10.279
  794    HA   THR  92           HA       THR  92 210.260   1.751  -9.314
  795    HB   THR  92           HB       THR  92 208.730   1.716 -11.372
  796    HG1  THR  92           HG1      THR  92 208.849  -0.466 -11.863
  797   1HG2  THR  92          HG21      THR  92 210.933   2.936 -11.213
  798   2HG2  THR  92          HG22      THR  92 210.378   2.517 -12.834
  799   3HG2  THR  92          HG23      THR  92 211.643   1.562 -12.060
  800    H    MET  93           HN       MET  93 208.194   2.201  -8.615
  801    HA   MET  93           HA       MET  93 206.867   0.422  -7.012
  802   1HB   MET  93          HB2       MET  93 205.898   2.848  -8.495
  803   2HB   MET  93          HB1       MET  93 204.823   1.931  -7.450
  804   1HG   MET  93          HG2       MET  93 207.373   2.633  -6.220
  805   2HG   MET  93          HG1       MET  93 206.384   4.014  -6.685
  806   1HE   MET  93          HE1       MET  93 205.519   0.444  -5.587
  807   2HE   MET  93          HE2       MET  93 204.828   0.636  -3.975
  808   3HE   MET  93          HE3       MET  93 206.565   0.828  -4.218
  809    H    GLY  94           HN       GLY  94 206.523   0.863 -10.465
  810   1HA   GLY  94          HA2       GLY  94 204.141  -0.618 -10.817
  811   2HA   GLY  94          HA1       GLY  94 205.354  -0.316 -12.053
  812    H    GLN  95           HN       GLN  95 207.550  -1.555 -10.810
  813    HA   GLN  95           HA       GLN  95 207.095  -4.246 -11.557
  814   1HB   GLN  95          HB2       GLN  95 209.416  -2.858 -10.231
  815   2HB   GLN  95          HB1       GLN  95 209.423  -4.582 -10.574
  816   1HG   GLN  95          HG2       GLN  95 208.944  -3.956 -12.983
  817   2HG   GLN  95          HG1       GLN  95 209.339  -2.301 -12.520
  818   1HE2  GLN  95          HE21      GLN  95 211.395  -2.834 -10.711
  819   2HE2  GLN  95          HE22      GLN  95 212.748  -3.458 -11.586
  820    H    LEU  96           HN       LEU  96 207.533  -2.626  -8.432
  821    HA   LEU  96           HA       LEU  96 207.498  -4.887  -6.799
  822   1HB   LEU  96          HB2       LEU  96 206.286  -2.195  -6.155
  823   2HB   LEU  96          HB1       LEU  96 206.787  -3.415  -4.999
  824    HG   LEU  96           HG       LEU  96 208.606  -1.848  -6.825
  825   1HD1  LEU  96          HD11      LEU  96 209.477  -0.991  -4.635
  826   2HD1  LEU  96          HD12      LEU  96 208.079  -1.740  -3.863
  827   3HD1  LEU  96          HD13      LEU  96 207.847  -0.456  -5.051
  828   1HD2  LEU  96          HD21      LEU  96 209.442  -3.737  -4.644
  829   2HD2  LEU  96          HD22      LEU  96 210.432  -3.014  -5.911
  830   3HD2  LEU  96          HD23      LEU  96 209.253  -4.261  -6.317
  831    H    TYR  97           HN       TYR  97 204.854  -2.954  -8.107
  832    HA   TYR  97           HA       TYR  97 202.787  -4.359  -6.796
  833   1HB   TYR  97          HB2       TYR  97 202.379  -2.157  -7.742
  834   2HB   TYR  97          HB1       TYR  97 202.734  -2.759  -9.359
  835    HD1  TYR  97           HD1      TYR  97 200.250  -2.563  -6.703
  836    HD2  TYR  97           HD2      TYR  97 201.156  -4.255 -10.500
  837    HE1  TYR  97           HE1      TYR  97 197.879  -3.140  -7.004
  838    HE2  TYR  97           HE2      TYR  97 198.784  -4.834 -10.813
  839    HH   TYR  97           HH       TYR  97 196.309  -3.669  -8.703
  840    H    GLN  98           HN       GLN  98 204.004  -4.562 -10.133
  841    HA   GLN  98           HA       GLN  98 202.418  -6.749 -10.886
  842   1HB   GLN  98          HB2       GLN  98 205.081  -5.834 -11.950
  843   2HB   GLN  98          HB1       GLN  98 204.019  -6.989 -12.744
  844   1HG   GLN  98          HG2       GLN  98 202.405  -4.786 -12.256
  845   2HG   GLN  98          HG1       GLN  98 203.951  -4.105 -12.756
  846   1HE2  GLN  98          HE21      GLN  98 204.283  -3.912 -14.850
  847   2HE2  GLN  98          HE22      GLN  98 203.441  -4.760 -16.097
  848    H    GLU  99           HN       GLU  99 205.342  -6.587  -9.028
  849    HA   GLU  99           HA       GLU  99 205.623  -9.511  -9.237
  850   1HB   GLU  99          HB2       GLU  99 207.659  -7.364  -8.723
  851   2HB   GLU  99          HB1       GLU  99 207.987  -9.067  -8.433
  852   1HG   GLU  99          HG2       GLU  99 206.968  -9.059 -10.980
  853   2HG   GLU  99          HG1       GLU  99 207.913  -7.571 -10.922
  854    H    HIS 100           HN       HIS 100 204.326  -7.347  -7.130
  855    HA   HIS 100           HA       HIS 100 204.696  -9.194  -4.934
  856   1HB   HIS 100          HB2       HIS 100 205.663  -6.344  -4.687
  857   2HB   HIS 100          HB1       HIS 100 205.461  -7.453  -3.338
  858    HD1  HIS 100           HD1      HIS 100 207.286  -9.158  -2.935
  859    HD2  HIS 100           HD2      HIS 100 207.828  -6.982  -6.435
  860    HE1  HIS 100           HE1      HIS 100 209.611  -9.711  -3.718
  861    HE2  HIS 100           HE2      HIS 100 209.946  -8.320  -5.792
  862    H    HIS 101           HN       HIS 101 202.522  -7.591  -6.611
  863    HA   HIS 101           HA       HIS 101 201.076  -6.208  -4.574
  864   1HB   HIS 101          HB2       HIS 101 199.340  -5.907  -6.146
  865   2HB   HIS 101          HB1       HIS 101 200.820  -5.846  -7.084
  866    HD1  HIS 101           HD1      HIS 101 197.764  -7.912  -6.514
  867    HD2  HIS 101           HD2      HIS 101 201.155  -7.970  -8.915
  868    HE1  HIS 101           HE1      HIS 101 197.322  -9.665  -8.262
  869    HE2  HIS 101           HE2      HIS 101 199.354  -9.623  -9.751
  870    H    GLU 102           HN       GLU 102 200.379  -7.234  -2.849
  871    HA   GLU 102           HA       GLU 102 199.843 -10.006  -2.730
  872   1HB   GLU 102          HB2       GLU 102 198.979  -7.871  -0.789
  873   2HB   GLU 102          HB1       GLU 102 199.119  -9.588  -0.455
  874   1HG   GLU 102          HG2       GLU 102 201.063  -8.862   0.457
  875   2HG   GLU 102          HG1       GLU 102 201.617  -9.176  -1.188
  876    H    GLU 103           HN       GLU 103 198.306  -9.777  -4.706
  877    HA   GLU 103           HA       GLU 103 196.204  -9.915  -5.578
  878   1HB   GLU 103          HB2       GLU 103 196.296 -11.440  -3.265
  879   2HB   GLU 103          HB1       GLU 103 194.834 -10.485  -3.067
  880   1HG   GLU 103          HG2       GLU 103 193.879 -11.352  -5.037
  881   2HG   GLU 103          HG1       GLU 103 195.414 -12.041  -5.566
  882    H    ASP 104           HN       ASP 104 193.687  -9.384  -4.489
  883    HA   ASP 104           HA       ASP 104 192.242  -7.622  -4.385
  884   1HB   ASP 104          HB2       ASP 104 193.419  -5.929  -2.482
  885   2HB   ASP 104          HB1       ASP 104 192.230  -7.191  -2.195
  886    H    PHE 105           HN       PHE 105 194.537  -7.359  -6.258
  887    HA   PHE 105           HA       PHE 105 195.599  -5.802  -7.552
  888   1HB   PHE 105          HB2       PHE 105 192.910  -4.504  -7.100
  889   2HB   PHE 105          HB1       PHE 105 194.065  -3.975  -8.319
  890    HD1  PHE 105           HD1      PHE 105 191.175  -5.764  -7.905
  891    HD2  PHE 105           HD2      PHE 105 195.001  -6.120  -9.738
  892    HE1  PHE 105           HE1      PHE 105 190.263  -7.416  -9.482
  893    HE2  PHE 105           HE2      PHE 105 194.094  -7.771 -11.319
  894    HZ   PHE 105           HZ       PHE 105 191.722  -8.421 -11.193
  895    H    PHE 106           HN       PHE 106 195.995  -5.473  -4.622
  896    HA   PHE 106           HA       PHE 106 196.608  -2.598  -4.575
  897   1HB   PHE 106          HB2       PHE 106 195.376  -4.355  -2.587
  898   2HB   PHE 106          HB1       PHE 106 196.712  -3.404  -1.941
  899    HD1  PHE 106           HD1      PHE 106 195.406  -1.994  -0.532
  900    HD2  PHE 106           HD2      PHE 106 194.547  -2.301  -4.689
  901    HE1  PHE 106           HE1      PHE 106 193.932  -0.026  -0.364
  902    HE2  PHE 106           HE2      PHE 106 193.069  -0.325  -4.526
  903    HZ   PHE 106           HZ       PHE 106 192.764   0.807  -2.364
  904    H    LEU 107           HN       LEU 107 198.379  -2.198  -2.809
  905    HA   LEU 107           HA       LEU 107 200.506  -4.181  -2.864
  906   1HB   LEU 107          HB2       LEU 107 200.670  -2.865  -4.964
  907   2HB   LEU 107          HB1       LEU 107 200.863  -1.411  -4.007
  908    HG   LEU 107           HG       LEU 107 203.024  -1.992  -4.791
  909   1HD1  LEU 107          HD11      LEU 107 202.900  -3.074  -1.983
  910   2HD1  LEU 107          HD12      LEU 107 202.902  -1.362  -2.405
  911   3HD1  LEU 107          HD13      LEU 107 204.290  -2.369  -2.804
  912   1HD2  LEU 107          HD21      LEU 107 203.790  -4.082  -5.125
  913   2HD2  LEU 107          HD22      LEU 107 202.094  -4.539  -4.973
  914   3HD2  LEU 107          HD23      LEU 107 203.170  -4.673  -3.584
  915    H    TYR 108           HN       TYR 108 200.199  -4.170  -0.557
  916    HA   TYR 108           HA       TYR 108 200.640  -1.637   0.800
  917   1HB   TYR 108          HB2       TYR 108 200.413  -3.156   2.910
  918   2HB   TYR 108          HB1       TYR 108 198.994  -2.741   1.981
  919    HD1  TYR 108           HD1      TYR 108 201.098  -5.435   3.169
  920    HD2  TYR 108           HD2      TYR 108 197.974  -4.419   0.465
  921    HE1  TYR 108           HE1      TYR 108 200.493  -7.806   2.989
  922    HE2  TYR 108           HE2      TYR 108 197.362  -6.791   0.276
  923    HH   TYR 108           HH       TYR 108 197.800  -8.952   2.100
  924    H    ILE 109           HN       ILE 109 202.421  -0.926   1.494
  925    HA   ILE 109           HA       ILE 109 204.786  -2.685   1.634
  926    HB   ILE 109           HB       ILE 109 204.555   0.262   1.035
  927   1HG1  ILE 109          HG12      ILE 109 204.778  -2.182  -0.666
  928   2HG1  ILE 109          HG11      ILE 109 203.762  -0.763  -0.866
  929   1HG2  ILE 109          HG21      ILE 109 206.653  -0.035   2.073
  930   2HG2  ILE 109          HG22      ILE 109 206.989  -0.024   0.345
  931   3HG2  ILE 109          HG23      ILE 109 206.950  -1.552   1.224
  932   1HD1  ILE 109          HD11      ILE 109 205.343  -0.705  -2.600
  933   2HD1  ILE 109          HD12      ILE 109 206.677  -1.054  -1.497
  934   3HD1  ILE 109          HD13      ILE 109 205.860   0.509  -1.428
  935    H    ALA 110           HN       ALA 110 206.512  -1.783   3.146
  936    HA   ALA 110           HA       ALA 110 205.378  -0.388   5.473
  937   1HB   ALA 110          HB1       ALA 110 205.359  -2.657   6.167
  938   2HB   ALA 110          HB2       ALA 110 206.758  -1.904   6.931
  939   3HB   ALA 110          HB3       ALA 110 206.975  -2.937   5.519
  940    H    TYR 111           HN       TYR 111 206.992   0.640   6.819
  941    HA   TYR 111           HA       TYR 111 209.630   0.969   5.603
  942   1HB   TYR 111          HB2       TYR 111 209.511   3.354   5.521
  943   2HB   TYR 111          HB1       TYR 111 208.095   2.734   4.681
  944    HD1  TYR 111           HD1      TYR 111 209.266   4.286   7.805
  945    HD2  TYR 111           HD2      TYR 111 205.913   3.221   5.449
  946    HE1  TYR 111           HE1      TYR 111 207.825   5.622   9.283
  947    HE2  TYR 111           HE2      TYR 111 204.448   4.564   6.891
  948    HH   TYR 111           HH       TYR 111 205.727   6.292   9.718
  949    H    SER 112           HN       SER 112 211.186   0.992   7.091
  950    HA   SER 112           HA       SER 112 210.507   1.737   9.864
  951   1HB   SER 112          HB2       SER 112 210.715  -0.473  10.313
  952   2HB   SER 112          HB1       SER 112 211.601  -0.803   8.827
  953    HG   SER 112           HG       SER 112 212.566   0.082  11.320
  954    H    ASP 113           HN       ASP 113 212.434   2.288  11.167
  955    HA   ASP 113           HA       ASP 113 214.172   4.007   9.643
  956   1HB   ASP 113          HB2       ASP 113 214.953   4.817  11.784
  957   2HB   ASP 113          HB1       ASP 113 213.196   4.683  11.832
  958    H    GLU 114           HN       GLU 114 214.263   0.780  10.329
  959    HA   GLU 114           HA       GLU 114 217.214   0.722  10.282
  960   1HB   GLU 114          HB2       GLU 114 215.406  -1.421  11.406
  961   2HB   GLU 114          HB1       GLU 114 217.161  -1.361  11.493
  962   1HG   GLU 114          HG2       GLU 114 216.170   1.033  12.625
  963   2HG   GLU 114          HG1       GLU 114 215.245  -0.306  13.303
  964    H    SER 115           HN       SER 115 217.976  -1.519   9.412
  965    HA   SER 115           HA       SER 115 216.898  -1.731   6.746
  966   1HB   SER 115          HB2       SER 115 218.746  -3.386   6.400
  967   2HB   SER 115          HB1       SER 115 219.295  -1.808   6.968
  968    HG   SER 115           HG       SER 115 219.576  -2.653   9.005
  969    H    VAL 116           HN       VAL 116 215.816  -3.008   9.521
  970    HA   VAL 116           HA       VAL 116 215.022  -5.540   8.275
  971    HB   VAL 116           HB       VAL 116 214.233  -5.541  10.994
  972   1HG1  VAL 116          HG11      VAL 116 216.260  -7.012   9.356
  973   2HG1  VAL 116          HG12      VAL 116 214.727  -7.580  10.019
  974   3HG1  VAL 116          HG13      VAL 116 216.108  -7.326  11.085
  975   1HG2  VAL 116          HG21      VAL 116 215.770  -3.844  11.603
  976   2HG2  VAL 116          HG22      VAL 116 217.054  -4.550  10.621
  977   3HG2  VAL 116          HG23      VAL 116 216.508  -5.372  12.083
  978    H    TYR 117           HN       TYR 117 212.784  -6.130   8.585
  979    HA   TYR 117           HA       TYR 117 210.992  -4.056   8.000
  980   1HB   TYR 117          HB2       TYR 117 210.374  -6.231   7.292
  981   2HB   TYR 117          HB1       TYR 117 210.574  -6.902   8.909
  982    HD1  TYR 117           HD1      TYR 117 208.524  -7.659   9.664
  983    HD2  TYR 117           HD2      TYR 117 208.722  -3.930   7.636
  984    HE1  TYR 117           HE1      TYR 117 206.150  -7.285  10.136
  985    HE2  TYR 117           HE2      TYR 117 206.344  -3.547   8.089
  986    HH   TYR 117           HH       TYR 117 204.311  -4.940   8.587
  987    H    GLY 118           HN       GLY 118 211.792  -2.645   9.835
  988   1HA   GLY 118          HA2       GLY 118 211.276  -1.517  11.768
  989   2HA   GLY 118          HA1       GLY 118 209.783  -2.447  11.814
  990    H    LEU 119           HN       LEU 119 210.169  -4.815  12.403
  991    HA   LEU 119           HA       LEU 119 210.601  -5.322  14.924
  992   1HB   LEU 119          HB2       LEU 119 211.522  -6.946  12.574
  993   2HB   LEU 119          HB1       LEU 119 211.626  -7.559  14.219
  994    HG   LEU 119           HG       LEU 119 208.985  -6.492  13.639
  995   1HD1  LEU 119          HD11      LEU 119 209.407  -9.030  12.189
  996   2HD1  LEU 119          HD12      LEU 119 209.990  -7.565  11.399
  997   3HD1  LEU 119          HD13      LEU 119 208.291  -7.703  11.859
  998   1HD2  LEU 119          HD21      LEU 119 208.280  -8.582  14.609
  999   2HD2  LEU 119          HD22      LEU 119 209.595  -7.890  15.562
 1000   3HD2  LEU 119          HD23      LEU 119 209.913  -9.235  14.463
  Start of MODEL    7
    1   1H    GLY   1          HT1       GLY   1 208.020 -14.895   7.074
    2   2H    GLY   1          HT2       GLY   1 207.576 -15.265   5.484
    3   3H    GLY   1          HT3       GLY   1 206.708 -15.921   6.778
    4   1HA   GLY   1          HA1       GLY   1 206.834 -13.051   6.028
    5   2HA   GLY   1          HA2       GLY   1 205.463 -14.123   5.778
    6    H    SER   2           HN       SER   2 205.991 -11.603   7.433
    7    HA   SER   2           HA       SER   2 204.273 -12.274   9.581
    8   1HB   SER   2          HB2       SER   2 207.197 -12.284  10.089
    9   2HB   SER   2          HB1       SER   2 206.193 -11.452  11.279
   10    HG   SER   2           HG       SER   2 206.631 -13.988  11.189
   11    H    MET   3           HN       MET   3 203.358 -10.466   8.313
   12    HA   MET   3           HA       MET   3 204.521  -7.878   9.072
   13   1HB   MET   3          HB2       MET   3 202.758  -8.677   6.768
   14   2HB   MET   3          HB1       MET   3 202.966  -6.995   7.239
   15   1HG   MET   3          HG2       MET   3 205.526  -7.663   7.059
   16   2HG   MET   3          HG1       MET   3 204.865  -8.853   5.938
   17   1HE   MET   3          HE1       MET   3 206.416  -5.610   6.286
   18   2HE   MET   3          HE2       MET   3 204.865  -4.885   6.722
   19   3HE   MET   3          HE3       MET   3 205.624  -4.486   5.182
   20    H    LYS   4           HN       LYS   4 203.200  -6.242   9.917
   21    HA   LYS   4           HA       LYS   4 200.602  -7.167  10.956
   22   1HB   LYS   4          HB2       LYS   4 202.765  -5.560  12.299
   23   2HB   LYS   4          HB1       LYS   4 201.106  -5.545  12.880
   24   1HG   LYS   4          HG2       LYS   4 202.094  -7.160  14.197
   25   2HG   LYS   4          HG1       LYS   4 201.344  -8.117  12.919
   26   1HD   LYS   4          HD2       LYS   4 203.333  -8.756  12.047
   27   2HD   LYS   4          HD1       LYS   4 204.107  -7.212  12.408
   28   1HE   LYS   4          HE2       LYS   4 203.498  -8.466  14.875
   29   2HE   LYS   4          HE1       LYS   4 204.262  -9.672  13.839
   30   1HZ   LYS   4          HZ1       LYS   4 205.355  -7.002  14.541
   31   2HZ   LYS   4          HZ2       LYS   4 206.073  -8.076  13.449
   32   3HZ   LYS   4          HZ3       LYS   4 205.928  -8.500  15.081
   33    H    PHE   5           HN       PHE   5 199.036  -6.121   9.925
   34    HA   PHE   5           HA       PHE   5 199.346  -3.225   9.471
   35   1HB   PHE   5          HB2       PHE   5 198.247  -5.342   7.636
   36   2HB   PHE   5          HB1       PHE   5 197.767  -3.657   7.470
   37    HD1  PHE   5           HD1      PHE   5 198.878  -2.481   5.861
   38    HD2  PHE   5           HD2      PHE   5 200.945  -5.564   7.941
   39    HE1  PHE   5           HE1      PHE   5 200.888  -2.041   4.510
   40    HE2  PHE   5           HE2      PHE   5 202.957  -5.127   6.595
   41    HZ   PHE   5           HZ       PHE   5 202.929  -3.367   4.876
   42    H    VAL   6           HN       VAL   6 197.163  -2.143   9.123
   43    HA   VAL   6           HA       VAL   6 195.029  -3.450  10.646
   44    HB   VAL   6           HB       VAL   6 196.247  -1.988  12.220
   45   1HG1  VAL   6          HG11      VAL   6 196.991  -0.315  10.549
   46   2HG1  VAL   6          HG12      VAL   6 196.267   0.397  11.990
   47   3HG1  VAL   6          HG13      VAL   6 195.340   0.305  10.493
   48   1HG2  VAL   6          HG21      VAL   6 194.352  -1.296  13.272
   49   2HG2  VAL   6          HG22      VAL   6 193.622  -2.330  12.043
   50   3HG2  VAL   6          HG23      VAL   6 193.669  -0.582  11.810
   51    H    TYR   7           HN       TYR   7 195.926  -0.665   8.630
   52    HA   TYR   7           HA       TYR   7 193.231  -0.085   7.873
   53   1HB   TYR   7          HB2       TYR   7 195.243   1.508   7.774
   54   2HB   TYR   7          HB1       TYR   7 195.678   0.678   6.283
   55    HD1  TYR   7           HD1      TYR   7 194.755   1.366   4.253
   56    HD2  TYR   7           HD2      TYR   7 192.881   2.537   7.891
   57    HE1  TYR   7           HE1      TYR   7 193.234   2.831   2.993
   58    HE2  TYR   7           HE2      TYR   7 191.356   4.003   6.639
   59    HH   TYR   7           HH       TYR   7 190.442   4.110   4.259
   60    H    LYS   8           HN       LYS   8 195.978  -1.556   6.163
   61    HA   LYS   8           HA       LYS   8 194.409  -2.448   3.959
   62   1HB   LYS   8          HB2       LYS   8 196.760  -2.088   3.613
   63   2HB   LYS   8          HB1       LYS   8 197.185  -3.164   4.932
   64   1HG   LYS   8          HG2       LYS   8 197.611  -4.521   3.157
   65   2HG   LYS   8          HG1       LYS   8 195.924  -4.940   3.448
   66   1HD   LYS   8          HD2       LYS   8 195.487  -2.956   1.777
   67   2HD   LYS   8          HD1       LYS   8 197.134  -3.321   1.259
   68   1HE   LYS   8          HE2       LYS   8 195.260  -5.598   1.567
   69   2HE   LYS   8          HE1       LYS   8 194.997  -4.513   0.203
   70   1HZ   LYS   8          HZ1       LYS   8 197.471  -4.859  -0.244
   71   2HZ   LYS   8          HZ2       LYS   8 196.421  -6.131  -0.620
   72   3HZ   LYS   8          HZ3       LYS   8 197.352  -6.192   0.791
   73    H    GLU   9           HN       GLU   9 195.143  -3.646   7.113
   74    HA   GLU   9           HA       GLU   9 194.433  -6.366   6.594
   75   1HB   GLU   9          HB2       GLU   9 195.334  -4.786   8.910
   76   2HB   GLU   9          HB1       GLU   9 194.278  -6.138   9.293
   77   1HG   GLU   9          HG2       GLU   9 196.645  -6.528   7.514
   78   2HG   GLU   9          HG1       GLU   9 196.835  -6.488   9.267
   79    H    GLU  10           HN       GLU  10 192.898  -3.552   8.073
   80    HA   GLU  10           HA       GLU  10 190.514  -4.882   8.845
   81   1HB   GLU  10          HB2       GLU  10 191.296  -2.003   8.508
   82   2HB   GLU  10          HB1       GLU  10 189.618  -2.435   8.805
   83   1HG   GLU  10          HG2       GLU  10 190.198  -3.476  10.890
   84   2HG   GLU  10          HG1       GLU  10 191.914  -3.222  10.582
   85    H    HIS  11           HN       HIS  11 191.078  -2.524   6.220
   86    HA   HIS  11           HA       HIS  11 188.652  -2.703   4.934
   87   1HB   HIS  11          HB2       HIS  11 191.432  -2.231   3.891
   88   2HB   HIS  11          HB1       HIS  11 190.046  -2.238   2.805
   89    HD1  HIS  11           HD1      HIS  11 188.969  -0.036   2.487
   90    HD2  HIS  11           HD2      HIS  11 191.033  -0.240   6.088
   91    HE1  HIS  11           HE1      HIS  11 188.787   2.260   3.497
   92    HE2  HIS  11           HE2      HIS  11 190.022   2.107   5.688
   93    HA   PRO  12           HA       PRO  12 188.609  -7.207   4.149
   94   1HB   PRO  12          HB2       PRO  12 186.386  -6.609   2.410
   95   2HB   PRO  12          HB1       PRO  12 186.386  -7.490   3.937
   96   1HG   PRO  12          HG2       PRO  12 185.624  -4.732   3.402
   97   2HG   PRO  12          HG1       PRO  12 185.340  -5.707   4.850
   98   1HD   PRO  12          HD2       PRO  12 187.070  -3.584   4.743
   99   2HD   PRO  12          HD1       PRO  12 187.222  -4.934   5.883
  100    H    PHE  13           HN       PHE  13 188.389  -8.472   2.061
  101    HA   PHE  13           HA       PHE  13 190.321  -7.594   0.241
  102   1HB   PHE  13          HB2       PHE  13 189.487 -10.001   0.708
  103   2HB   PHE  13          HB1       PHE  13 188.247  -9.642  -0.487
  104    HD1  PHE  13           HD1      PHE  13 189.516  -8.250  -2.594
  105    HD2  PHE  13           HD2      PHE  13 191.103 -11.366  -0.167
  106    HE1  PHE  13           HE1      PHE  13 191.090  -8.836  -4.384
  107    HE2  PHE  13           HE2      PHE  13 192.679 -11.959  -1.962
  108    HZ   PHE  13           HZ       PHE  13 192.672 -10.689  -4.074
  109    H    GLU  14           HN       GLU  14 186.793  -7.829  -0.128
  110    HA   GLU  14           HA       GLU  14 186.505  -6.877  -2.683
  111   1HB   GLU  14          HB2       GLU  14 184.820  -6.712  -0.228
  112   2HB   GLU  14          HB1       GLU  14 184.350  -5.740  -1.616
  113   1HG   GLU  14          HG2       GLU  14 183.213  -7.566  -2.217
  114   2HG   GLU  14          HG1       GLU  14 184.777  -8.134  -2.798
  115    H    LYS  15           HN       LYS  15 187.484  -5.132   0.144
  116    HA   LYS  15           HA       LYS  15 186.995  -2.525  -0.978
  117   1HB   LYS  15          HB2       LYS  15 188.681  -3.210   1.431
  118   2HB   LYS  15          HB1       LYS  15 187.928  -1.667   1.052
  119   1HG   LYS  15          HG2       LYS  15 186.114  -3.974   1.272
  120   2HG   LYS  15          HG1       LYS  15 186.907  -3.451   2.753
  121   1HD   LYS  15          HD2       LYS  15 185.281  -1.714   0.910
  122   2HD   LYS  15          HD1       LYS  15 184.756  -2.352   2.472
  123   1HE   LYS  15          HE2       LYS  15 185.690  -0.638   3.529
  124   2HE   LYS  15          HE1       LYS  15 187.254  -1.007   2.803
  125   1HZ   LYS  15          HZ1       LYS  15 185.129   0.597   1.489
  126   2HZ   LYS  15          HZ2       LYS  15 186.694   0.330   0.909
  127   3HZ   LYS  15          HZ3       LYS  15 186.458   1.253   2.305
  128    H    ARG  16           HN       ARG  16 190.018  -4.056   0.166
  129    HA   ARG  16           HA       ARG  16 191.755  -2.301  -1.082
  130   1HB   ARG  16          HB2       ARG  16 193.387  -4.290  -1.051
  131   2HB   ARG  16          HB1       ARG  16 192.752  -3.711   0.481
  132   1HG   ARG  16          HG2       ARG  16 191.175  -5.541   0.560
  133   2HG   ARG  16          HG1       ARG  16 191.702  -6.095  -1.029
  134   1HD   ARG  16          HD2       ARG  16 194.000  -6.358  -0.074
  135   2HD   ARG  16          HD1       ARG  16 193.315  -6.009   1.510
  136    HE   ARG  16           HE       ARG  16 192.088  -8.201   0.069
  137   1HH1  ARG  16          HH11      ARG  16 194.485  -7.225   2.415
  138   2HH1  ARG  16          HH12      ARG  16 194.574  -8.786   3.157
  139   1HH2  ARG  16          HH21      ARG  16 192.209 -10.255   1.049
  140   2HH2  ARG  16          HH22      ARG  16 193.285 -10.506   2.381
  141    H    ARG  17           HN       ARG  17 189.890  -4.870  -2.462
  142    HA   ARG  17           HA       ARG  17 191.435  -4.922  -4.919
  143   1HB   ARG  17          HB2       ARG  17 190.338  -6.970  -3.974
  144   2HB   ARG  17          HB1       ARG  17 188.781  -6.243  -4.346
  145   1HG   ARG  17          HG2       ARG  17 189.298  -6.238  -6.703
  146   2HG   ARG  17          HG1       ARG  17 190.921  -6.847  -6.376
  147   1HD   ARG  17          HD2       ARG  17 190.209  -8.961  -6.077
  148   2HD   ARG  17          HD1       ARG  17 188.739  -8.450  -5.244
  149    HE   ARG  17           HE       ARG  17 187.618  -8.491  -7.247
  150   1HH1  ARG  17          HH11      ARG  17 191.051  -8.706  -7.847
  151   2HH1  ARG  17          HH12      ARG  17 190.860  -9.080  -9.527
  152   1HH2  ARG  17          HH21      ARG  17 187.367  -8.981  -9.458
  153   2HH2  ARG  17          HH22      ARG  17 188.770  -9.236 -10.441
  154    H    SER  18           HN       SER  18 188.072  -4.150  -4.023
  155    HA   SER  18           HA       SER  18 187.066  -3.177  -6.340
  156   1HB   SER  18          HB2       SER  18 185.628  -3.180  -4.458
  157   2HB   SER  18          HB1       SER  18 186.710  -2.145  -3.525
  158    HG   SER  18           HG       SER  18 185.349  -1.341  -5.883
  159    H    GLU  19           HN       GLU  19 189.213  -1.440  -4.137
  160    HA   GLU  19           HA       GLU  19 189.206   0.992  -5.623
  161   1HB   GLU  19          HB2       GLU  19 190.458  -0.051  -3.215
  162   2HB   GLU  19          HB1       GLU  19 191.554   0.955  -4.149
  163   1HG   GLU  19          HG2       GLU  19 190.464   2.831  -3.642
  164   2HG   GLU  19          HG1       GLU  19 188.880   2.080  -3.832
  165    H    GLY  20           HN       GLY  20 191.481  -1.717  -5.336
  166   1HA   GLY  20          HA2       GLY  20 193.444  -0.699  -7.067
  167   2HA   GLY  20          HA1       GLY  20 193.211  -2.397  -6.679
  168    H    GLU  21           HN       GLU  21 190.847  -3.050  -7.751
  169    HA   GLU  21           HA       GLU  21 191.374  -3.452 -10.425
  170   1HB   GLU  21          HB2       GLU  21 189.799  -4.877  -9.494
  171   2HB   GLU  21          HB1       GLU  21 188.872  -3.562  -8.786
  172   1HG   GLU  21          HG2       GLU  21 187.674  -3.223 -10.653
  173   2HG   GLU  21          HG1       GLU  21 189.026  -3.591 -11.720
  174    H    LYS  22           HN       LYS  22 190.027  -0.660  -8.877
  175    HA   LYS  22           HA       LYS  22 189.080   0.427 -11.409
  176   1HB   LYS  22          HB2       LYS  22 187.541   0.949  -9.762
  177   2HB   LYS  22          HB1       LYS  22 188.774   1.190  -8.533
  178   1HG   LYS  22          HG2       LYS  22 188.760   3.100 -10.790
  179   2HG   LYS  22          HG1       LYS  22 187.409   3.190  -9.658
  180   1HD   LYS  22          HD2       LYS  22 189.828   2.919  -8.170
  181   2HD   LYS  22          HD1       LYS  22 190.038   4.211  -9.354
  182   1HE   LYS  22          HE2       LYS  22 189.160   5.293  -7.480
  183   2HE   LYS  22          HE1       LYS  22 187.767   5.069  -8.538
  184   1HZ   LYS  22          HZ1       LYS  22 187.034   3.239  -7.236
  185   2HZ   LYS  22          HZ2       LYS  22 187.371   4.503  -6.164
  186   3HZ   LYS  22          HZ3       LYS  22 188.460   3.218  -6.325
  187    H    ILE  23           HN       ILE  23 191.361   1.263  -8.826
  188    HA   ILE  23           HA       ILE  23 192.489   3.526 -10.017
  189    HB   ILE  23           HB       ILE  23 193.525   1.517  -8.036
  190   1HG1  ILE  23          HG12      ILE  23 193.083   4.432  -7.539
  191   2HG1  ILE  23          HG11      ILE  23 191.696   3.354  -7.644
  192   1HG2  ILE  23          HG21      ILE  23 195.525   2.644  -7.698
  193   2HG2  ILE  23          HG22      ILE  23 194.980   4.074  -8.567
  194   3HG2  ILE  23          HG23      ILE  23 195.387   2.607  -9.453
  195   1HD1  ILE  23          HD11      ILE  23 192.014   2.666  -5.573
  196   2HD1  ILE  23          HD12      ILE  23 193.287   3.878  -5.418
  197   3HD1  ILE  23          HD13      ILE  23 193.689   2.235  -5.918
  198    H    ARG  24           HN       ARG  24 192.909   0.145 -10.659
  199    HA   ARG  24           HA       ARG  24 195.364   0.451 -12.137
  200   1HB   ARG  24          HB2       ARG  24 193.423  -1.840 -11.809
  201   2HB   ARG  24          HB1       ARG  24 194.886  -1.946 -12.781
  202   1HG   ARG  24          HG2       ARG  24 194.773  -1.372  -9.827
  203   2HG   ARG  24          HG1       ARG  24 195.206  -2.913 -10.568
  204   1HD   ARG  24          HD2       ARG  24 196.688  -0.317 -10.959
  205   2HD   ARG  24          HD1       ARG  24 197.169  -1.600  -9.852
  206    HE   ARG  24           HE       ARG  24 197.016  -2.892 -12.207
  207   1HH1  ARG  24          HH11      ARG  24 198.604   0.069 -11.257
  208   2HH1  ARG  24          HH12      ARG  24 199.876  -0.095 -12.420
  209   1HH2  ARG  24          HH21      ARG  24 198.688  -3.107 -13.736
  210   2HH2  ARG  24          HH22      ARG  24 199.924  -1.896 -13.827
  211    H    LYS  25           HN       LYS  25 191.940  -0.019 -12.852
  212    HA   LYS  25           HA       LYS  25 192.264  -0.090 -15.684
  213   1HB   LYS  25          HB2       LYS  25 189.861   0.417 -13.935
  214   2HB   LYS  25          HB1       LYS  25 189.790   0.148 -15.676
  215   1HG   LYS  25          HG2       LYS  25 190.619  -2.085 -15.424
  216   2HG   LYS  25          HG1       LYS  25 190.931  -1.819 -13.705
  217   1HD   LYS  25          HD2       LYS  25 188.890  -3.090 -13.969
  218   2HD   LYS  25          HD1       LYS  25 188.502  -1.480 -13.361
  219   1HE   LYS  25          HE2       LYS  25 188.426  -1.211 -16.123
  220   2HE   LYS  25          HE1       LYS  25 187.687  -2.783 -15.819
  221   1HZ   LYS  25          HZ1       LYS  25 185.946  -1.859 -14.724
  222   2HZ   LYS  25          HZ2       LYS  25 186.301  -0.562 -15.749
  223   3HZ   LYS  25          HZ3       LYS  25 186.838  -0.543 -14.145
  224    H    LYS  26           HN       LYS  26 191.417   2.382 -13.329
  225    HA   LYS  26           HA       LYS  26 190.909   4.387 -15.297
  226   1HB   LYS  26          HB2       LYS  26 190.101   4.105 -12.769
  227   2HB   LYS  26          HB1       LYS  26 191.485   5.155 -12.499
  228   1HG   LYS  26          HG2       LYS  26 190.572   6.875 -13.801
  229   2HG   LYS  26          HG1       LYS  26 189.374   5.797 -14.524
  230   1HD   LYS  26          HD2       LYS  26 188.084   5.731 -12.581
  231   2HD   LYS  26          HD1       LYS  26 189.409   6.314 -11.571
  232   1HE   LYS  26          HE2       LYS  26 188.404   8.309 -11.728
  233   2HE   LYS  26          HE1       LYS  26 189.095   8.367 -13.350
  234   1HZ   LYS  26          HZ1       LYS  26 186.890   8.783 -13.754
  235   2HZ   LYS  26          HZ2       LYS  26 186.339   7.758 -12.527
  236   3HZ   LYS  26          HZ3       LYS  26 186.932   7.106 -13.970
  237    H    TYR  27           HN       TYR  27 193.555   3.511 -13.164
  238    HA   TYR  27           HA       TYR  27 195.254   5.445 -14.600
  239   1HB   TYR  27          HB2       TYR  27 196.023   4.601 -11.849
  240   2HB   TYR  27          HB1       TYR  27 196.306   6.130 -12.674
  241    HD1  TYR  27           HD1      TYR  27 193.558   6.901 -13.439
  242    HD2  TYR  27           HD2      TYR  27 195.030   5.188  -9.837
  243    HE1  TYR  27           HE1      TYR  27 191.683   7.904 -12.202
  244    HE2  TYR  27           HE2      TYR  27 193.159   6.180  -8.587
  245    HH   TYR  27           HH       TYR  27 191.156   8.581  -9.886
  246    HA   PRO  28           HA       PRO  28 197.082   1.355 -15.454
  247   1HB   PRO  28          HB2       PRO  28 198.096   2.615 -17.875
  248   2HB   PRO  28          HB1       PRO  28 196.950   1.283 -17.713
  249   1HG   PRO  28          HG2       PRO  28 196.234   3.743 -18.612
  250   2HG   PRO  28          HG1       PRO  28 195.126   2.677 -17.728
  251   1HD   PRO  28          HD2       PRO  28 196.704   5.021 -16.729
  252   2HD   PRO  28          HD1       PRO  28 195.021   4.562 -16.380
  253    H    ASP  29           HN       ASP  29 198.486   4.551 -15.427
  254    HA   ASP  29           HA       ASP  29 201.199   3.490 -15.401
  255   1HB   ASP  29          HB2       ASP  29 200.008   6.229 -15.615
  256   2HB   ASP  29          HB1       ASP  29 201.686   6.050 -15.109
  257    H    ARG  30           HN       ARG  30 198.776   4.286 -13.161
  258    HA   ARG  30           HA       ARG  30 200.718   4.805 -11.025
  259   1HB   ARG  30          HB2       ARG  30 197.794   5.306 -11.366
  260   2HB   ARG  30          HB1       ARG  30 198.425   5.106  -9.738
  261   1HG   ARG  30          HG2       ARG  30 200.085   6.923 -11.204
  262   2HG   ARG  30          HG1       ARG  30 198.397   7.426 -11.303
  263   1HD   ARG  30          HD2       ARG  30 198.199   7.414  -8.909
  264   2HD   ARG  30          HD1       ARG  30 199.822   6.745  -8.739
  265    HE   ARG  30           HE       ARG  30 200.684   8.848  -9.035
  266   1HH1  ARG  30          HH11      ARG  30 197.334   8.849 -10.014
  267   2HH1  ARG  30          HH12      ARG  30 197.260  10.568 -10.203
  268   1HH2  ARG  30          HH21      ARG  30 200.588  11.110  -9.282
  269   2HH2  ARG  30          HH22      ARG  30 199.108  11.853  -9.788
  270    H    VAL  31           HN       VAL  31 200.495   3.677  -8.982
  271    HA   VAL  31           HA       VAL  31 199.193   1.054  -9.190
  272    HB   VAL  31           HB       VAL  31 201.064  -0.066  -8.142
  273   1HG1  VAL  31          HG11      VAL  31 201.642  -0.440 -10.251
  274   2HG1  VAL  31          HG12      VAL  31 202.819   0.862 -10.076
  275   3HG1  VAL  31          HG13      VAL  31 201.219   1.204 -10.733
  276   1HG2  VAL  31          HG21      VAL  31 202.436   1.117  -6.845
  277   2HG2  VAL  31          HG22      VAL  31 201.963   2.640  -7.605
  278   3HG2  VAL  31          HG23      VAL  31 203.234   1.652  -8.325
  279    HA   PRO  32           HA       PRO  32 197.589   2.554  -5.270
  280   1HB   PRO  32          HB2       PRO  32 196.143   0.325  -4.667
  281   2HB   PRO  32          HB1       PRO  32 195.589   1.551  -5.812
  282   1HG   PRO  32          HG2       PRO  32 196.925  -1.073  -6.350
  283   2HG   PRO  32          HG1       PRO  32 195.530  -0.343  -7.168
  284   1HD   PRO  32          HD2       PRO  32 198.007  -0.262  -8.221
  285   2HD   PRO  32          HD1       PRO  32 196.860   1.077  -8.425
  286    H    VAL  33           HN       VAL  33 199.128   2.614  -3.727
  287    HA   VAL  33           HA       VAL  33 200.243   0.058  -2.798
  288    HB   VAL  33           HB       VAL  33 201.429   2.829  -2.614
  289   1HG1  VAL  33          HG11      VAL  33 203.383   1.844  -1.668
  290   2HG1  VAL  33          HG12      VAL  33 202.732   0.220  -1.868
  291   3HG1  VAL  33          HG13      VAL  33 202.002   1.323  -0.704
  292   1HG2  VAL  33          HG21      VAL  33 203.040   2.061  -4.243
  293   2HG2  VAL  33          HG22      VAL  33 201.410   1.852  -4.882
  294   3HG2  VAL  33          HG23      VAL  33 202.305   0.453  -4.268
  295    H    ILE  34           HN       ILE  34 200.438  -0.367  -0.596
  296    HA   ILE  34           HA       ILE  34 198.976   1.459   1.185
  297    HB   ILE  34           HB       ILE  34 199.026  -1.535   1.558
  298   1HG1  ILE  34          HG12      ILE  34 197.798  -1.055  -0.494
  299   2HG1  ILE  34          HG11      ILE  34 196.660  -1.470   0.783
  300   1HG2  ILE  34          HG21      ILE  34 198.281  -0.991   3.574
  301   2HG2  ILE  34          HG22      ILE  34 196.833  -0.327   2.812
  302   3HG2  ILE  34          HG23      ILE  34 198.216   0.715   3.143
  303   1HD1  ILE  34          HD11      ILE  34 196.225   0.558  -0.802
  304   2HD1  ILE  34          HD12      ILE  34 197.308   1.389   0.313
  305   3HD1  ILE  34          HD13      ILE  34 195.822   0.651   0.914
  306    H    VAL  35           HN       VAL  35 201.088   2.368   1.571
  307    HA   VAL  35           HA       VAL  35 203.226   0.913   2.673
  308    HB   VAL  35           HB       VAL  35 202.541   3.831   3.041
  309   1HG1  VAL  35          HG11      VAL  35 204.131   3.500   4.658
  310   2HG1  VAL  35          HG12      VAL  35 205.144   3.872   3.263
  311   3HG1  VAL  35          HG13      VAL  35 204.923   2.197   3.770
  312   1HG2  VAL  35          HG21      VAL  35 202.779   3.557   0.751
  313   2HG2  VAL  35          HG22      VAL  35 204.006   2.303   0.928
  314   3HG2  VAL  35          HG23      VAL  35 204.413   3.986   1.258
  315    H    GLU  36           HN       GLU  36 203.992   0.817   4.841
  316    HA   GLU  36           HA       GLU  36 202.063   1.372   6.974
  317   1HB   GLU  36          HB2       GLU  36 202.468  -1.194   5.876
  318   2HB   GLU  36          HB1       GLU  36 203.288  -1.200   7.425
  319   1HG   GLU  36          HG2       GLU  36 200.388  -0.704   6.859
  320   2HG   GLU  36          HG1       GLU  36 201.112  -1.981   7.828
  321    H    LYS  37           HN       LYS  37 203.025   1.254   9.125
  322    HA   LYS  37           HA       LYS  37 205.888   1.866   9.029
  323   1HB   LYS  37          HB2       LYS  37 204.097   3.441  10.082
  324   2HB   LYS  37          HB1       LYS  37 204.125   2.310  11.427
  325   1HG   LYS  37          HG2       LYS  37 206.812   2.967  10.790
  326   2HG   LYS  37          HG1       LYS  37 205.885   4.465  10.882
  327   1HD   LYS  37          HD2       LYS  37 206.733   3.982  13.067
  328   2HD   LYS  37          HD1       LYS  37 204.990   3.697  13.079
  329   1HE   LYS  37          HE2       LYS  37 205.221   1.431  13.254
  330   2HE   LYS  37          HE1       LYS  37 206.781   1.424  12.431
  331   1HZ   LYS  37          HZ1       LYS  37 207.602   2.622  14.525
  332   2HZ   LYS  37          HZ2       LYS  37 207.316   0.958  14.620
  333   3HZ   LYS  37          HZ3       LYS  37 206.187   2.047  15.251
  334    H    ALA  38           HN       ALA  38 206.626  -0.227   8.927
  335    HA   ALA  38           HA       ALA  38 206.068  -2.530  10.082
  336   1HB   ALA  38          HB1       ALA  38 208.853  -1.410  10.259
  337   2HB   ALA  38          HB2       ALA  38 208.113  -2.002   8.764
  338   3HB   ALA  38          HB3       ALA  38 208.377  -3.106  10.115
  339    HA   PRO  39           HA       PRO  39 205.756  -2.356  14.477
  340   1HB   PRO  39          HB2       PRO  39 206.811  -4.855  15.027
  341   2HB   PRO  39          HB1       PRO  39 205.128  -4.543  14.581
  342   1HG   PRO  39          HG2       PRO  39 207.406  -5.455  12.892
  343   2HG   PRO  39          HG1       PRO  39 205.713  -5.968  12.858
  344   1HD   PRO  39          HD2       PRO  39 206.709  -4.289  11.034
  345   2HD   PRO  39          HD1       PRO  39 205.050  -4.110  11.647
  346    H    LYS  40           HN       LYS  40 207.043  -2.004  16.278
  347    HA   LYS  40           HA       LYS  40 208.890  -1.528  17.496
  348   1HB   LYS  40          HB2       LYS  40 210.137  -3.482  15.572
  349   2HB   LYS  40          HB1       LYS  40 211.023  -2.750  16.902
  350   1HG   LYS  40          HG2       LYS  40 210.327  -4.805  17.739
  351   2HG   LYS  40          HG1       LYS  40 209.168  -3.651  18.402
  352   1HD   LYS  40          HD2       LYS  40 207.488  -4.307  16.892
  353   2HD   LYS  40          HD1       LYS  40 208.633  -5.155  15.853
  354   1HE   LYS  40          HE2       LYS  40 208.288  -7.040  16.974
  355   2HE   LYS  40          HE1       LYS  40 208.786  -6.262  18.476
  356   1HZ   LYS  40          HZ1       LYS  40 206.079  -5.731  17.505
  357   2HZ   LYS  40          HZ2       LYS  40 206.649  -5.876  19.092
  358   3HZ   LYS  40          HZ3       LYS  40 206.386  -7.261  18.159
  359    H    ALA  41           HN       ALA  41 208.750  -0.708  14.174
  360    HA   ALA  41           HA       ALA  41 211.136   0.533  13.656
  361   1HB   ALA  41          HB1       ALA  41 209.044   0.306  12.158
  362   2HB   ALA  41          HB2       ALA  41 210.070   1.732  11.978
  363   3HB   ALA  41          HB3       ALA  41 208.562   1.847  12.878
  364    H    ARG  42           HN       ARG  42 212.077   2.402  14.249
  365    HA   ARG  42           HA       ARG  42 210.979   3.756  16.573
  366   1HB   ARG  42          HB2       ARG  42 213.686   4.241  15.344
  367   2HB   ARG  42          HB1       ARG  42 213.168   4.579  16.991
  368   1HG   ARG  42          HG2       ARG  42 212.912   1.770  16.269
  369   2HG   ARG  42          HG1       ARG  42 214.568   2.371  16.159
  370   1HD   ARG  42          HD2       ARG  42 212.759   2.613  18.560
  371   2HD   ARG  42          HD1       ARG  42 214.072   1.455  18.376
  372    HE   ARG  42           HE       ARG  42 215.627   3.209  18.594
  373   1HH1  ARG  42          HH11      ARG  42 212.327   4.322  18.935
  374   2HH1  ARG  42          HH12      ARG  42 212.781   5.803  19.706
  375   1HH2  ARG  42          HH21      ARG  42 216.212   5.157  19.604
  376   2HH2  ARG  42          HH22      ARG  42 214.981   6.279  20.084
  377    H    ILE  43           HN       ILE  43 209.733   4.203  14.144
  378    HA   ILE  43           HA       ILE  43 210.282   7.063  13.688
  379    HB   ILE  43           HB       ILE  43 209.155   6.489  11.400
  380   1HG1  ILE  43          HG12      ILE  43 210.420   3.850  12.150
  381   2HG1  ILE  43          HG11      ILE  43 208.688   4.142  12.033
  382   1HG2  ILE  43          HG21      ILE  43 211.994   6.108  12.234
  383   2HG2  ILE  43          HG22      ILE  43 211.269   7.409  11.291
  384   3HG2  ILE  43          HG23      ILE  43 211.519   5.825  10.559
  385   1HD1  ILE  43          HD11      ILE  43 208.929   3.354   9.973
  386   2HD1  ILE  43          HD12      ILE  43 210.667   3.677   9.940
  387   3HD1  ILE  43          HD13      ILE  43 209.521   4.979   9.607
  388    H    GLY  44           HN       GLY  44 208.350   8.179  12.710
  389   1HA   GLY  44          HA2       GLY  44 206.153   7.951  14.481
  390   2HA   GLY  44          HA1       GLY  44 206.215   8.964  13.046
  391    H    ASP  45           HN       ASP  45 204.120   7.130  14.248
  392    HA   ASP  45           HA       ASP  45 203.797   5.040  12.299
  393   1HB   ASP  45          HB2       ASP  45 201.785   4.477  13.497
  394   2HB   ASP  45          HB1       ASP  45 203.051   4.834  14.668
  395    H    LEU  46           HN       LEU  46 202.647   5.074  10.472
  396    HA   LEU  46           HA       LEU  46 201.437   7.593   9.661
  397   1HB   LEU  46          HB2       LEU  46 202.784   5.421   8.343
  398   2HB   LEU  46          HB1       LEU  46 201.221   5.690   7.594
  399    HG   LEU  46           HG       LEU  46 202.884   8.087   8.094
  400   1HD1  LEU  46          HD11      LEU  46 204.644   6.800   7.265
  401   2HD1  LEU  46          HD12      LEU  46 204.005   7.621   5.840
  402   3HD1  LEU  46          HD13      LEU  46 203.601   5.931   6.138
  403   1HD2  LEU  46          HD21      LEU  46 201.981   8.578   5.779
  404   2HD2  LEU  46          HD22      LEU  46 200.789   8.451   7.072
  405   3HD2  LEU  46          HD23      LEU  46 201.019   7.111   5.947
  406    H    ASP  47           HN       ASP  47 199.327   7.798   8.917
  407    HA   ASP  47           HA       ASP  47 197.509   5.614   9.701
  408   1HB   ASP  47          HB2       ASP  47 195.813   7.367  10.127
  409   2HB   ASP  47          HB1       ASP  47 197.235   7.548  11.150
  410    H    LYS  48           HN       LYS  48 198.666   7.466   7.116
  411    HA   LYS  48           HA       LYS  48 196.338   7.560   5.491
  412   1HB   LYS  48          HB2       LYS  48 198.242   9.042   5.104
  413   2HB   LYS  48          HB1       LYS  48 199.266   7.660   4.741
  414   1HG   LYS  48          HG2       LYS  48 197.505   7.189   2.884
  415   2HG   LYS  48          HG1       LYS  48 197.099   8.892   3.107
  416   1HD   LYS  48          HD2       LYS  48 199.798   9.038   2.972
  417   2HD   LYS  48          HD1       LYS  48 199.495   7.650   1.923
  418   1HE   LYS  48          HE2       LYS  48 198.682   8.940   0.296
  419   2HE   LYS  48          HE1       LYS  48 197.642   9.821   1.414
  420   1HZ   LYS  48          HZ1       LYS  48 200.463  10.386   0.719
  421   2HZ   LYS  48          HZ2       LYS  48 199.721  11.060   2.081
  422   3HZ   LYS  48          HZ3       LYS  48 199.117  11.395   0.537
  423    H    LYS  49           HN       LYS  49 199.229   5.490   5.340
  424    HA   LYS  49           HA       LYS  49 199.553   3.360   4.661
  425   1HB   LYS  49          HB2       LYS  49 196.618   3.319   5.205
  426   2HB   LYS  49          HB1       LYS  49 197.329   1.953   4.351
  427   1HG   LYS  49          HG2       LYS  49 198.808   2.775   6.737
  428   2HG   LYS  49          HG1       LYS  49 197.170   2.205   7.054
  429   1HD   LYS  49          HD2       LYS  49 198.065   0.355   5.261
  430   2HD   LYS  49          HD1       LYS  49 199.539   0.738   6.149
  431   1HE   LYS  49          HE2       LYS  49 196.955  -0.376   7.182
  432   2HE   LYS  49          HE1       LYS  49 198.576  -1.045   7.328
  433   1HZ   LYS  49          HZ1       LYS  49 198.539  -0.135   9.348
  434   2HZ   LYS  49          HZ2       LYS  49 197.231   0.878   8.991
  435   3HZ   LYS  49          HZ3       LYS  49 198.801   1.344   8.567
  436    H    LYS  50           HN       LYS  50 196.619   4.513   2.957
  437    HA   LYS  50           HA       LYS  50 197.308   3.206   0.540
  438   1HB   LYS  50          HB2       LYS  50 194.993   3.948   1.297
  439   2HB   LYS  50          HB1       LYS  50 195.451   5.564   0.778
  440   1HG   LYS  50          HG2       LYS  50 194.590   4.976  -1.192
  441   2HG   LYS  50          HG1       LYS  50 196.085   4.064  -1.415
  442   1HD   LYS  50          HD2       LYS  50 194.578   2.400  -1.812
  443   2HD   LYS  50          HD1       LYS  50 194.728   2.232  -0.063
  444   1HE   LYS  50          HE2       LYS  50 192.391   2.193  -0.750
  445   2HE   LYS  50          HE1       LYS  50 192.736   3.605   0.247
  446   1HZ   LYS  50          HZ1       LYS  50 191.381   3.828  -1.955
  447   2HZ   LYS  50          HZ2       LYS  50 192.914   3.862  -2.669
  448   3HZ   LYS  50          HZ3       LYS  50 192.497   5.022  -1.512
  449    H    TYR  51           HN       TYR  51 198.293   3.889  -1.281
  450    HA   TYR  51           HA       TYR  51 199.121   6.666  -1.548
  451   1HB   TYR  51          HB2       TYR  51 201.037   4.358  -1.287
  452   2HB   TYR  51          HB1       TYR  51 201.482   5.841  -2.126
  453    HD1  TYR  51           HD1      TYR  51 201.796   7.916  -0.902
  454    HD2  TYR  51           HD2      TYR  51 200.730   4.324   1.094
  455    HE1  TYR  51           HE1      TYR  51 202.391   8.948   1.248
  456    HE2  TYR  51           HE2      TYR  51 201.319   5.340   3.259
  457    HH   TYR  51           HH       TYR  51 201.458   8.239   3.945
  458    H    LEU  52           HN       LEU  52 198.632   7.249  -3.544
  459    HA   LEU  52           HA       LEU  52 198.519   5.192  -5.631
  460   1HB   LEU  52          HB2       LEU  52 196.699   7.093  -5.003
  461   2HB   LEU  52          HB1       LEU  52 197.625   7.955  -6.217
  462    HG   LEU  52           HG       LEU  52 197.160   6.230  -7.862
  463   1HD1  LEU  52          HD11      LEU  52 196.506   4.690  -5.525
  464   2HD1  LEU  52          HD12      LEU  52 196.770   4.155  -7.184
  465   3HD1  LEU  52          HD13      LEU  52 195.165   4.671  -6.670
  466   1HD2  LEU  52          HD21      LEU  52 195.201   7.167  -8.360
  467   2HD2  LEU  52          HD22      LEU  52 195.328   8.022  -6.823
  468   3HD2  LEU  52          HD23      LEU  52 194.428   6.508  -6.919
  469    H    VAL  53           HN       VAL  53 200.859   5.156  -5.675
  470    HA   VAL  53           HA       VAL  53 202.132   7.500  -6.864
  471    HB   VAL  53           HB       VAL  53 204.127   5.622  -6.676
  472   1HG1  VAL  53          HG11      VAL  53 203.265   7.616  -4.581
  473   2HG1  VAL  53          HG12      VAL  53 204.262   7.956  -5.996
  474   3HG1  VAL  53          HG13      VAL  53 204.868   6.899  -4.723
  475   1HG2  VAL  53          HG21      VAL  53 202.289   5.235  -4.315
  476   2HG2  VAL  53          HG22      VAL  53 203.952   4.663  -4.412
  477   3HG2  VAL  53          HG23      VAL  53 202.735   4.020  -5.513
  478    HA   PRO  54           HA       PRO  54 202.237   6.115 -11.026
  479   1HB   PRO  54          HB2       PRO  54 205.164   6.632 -10.980
  480   2HB   PRO  54          HB1       PRO  54 203.928   7.263 -12.072
  481   1HG   PRO  54          HG2       PRO  54 204.984   8.803 -10.171
  482   2HG   PRO  54          HG1       PRO  54 203.262   8.909 -10.582
  483   1HD   PRO  54          HD2       PRO  54 204.578   7.608  -8.237
  484   2HD   PRO  54          HD1       PRO  54 203.041   8.493  -8.323
  485    H    SER  55           HN       SER  55 204.018   4.850 -12.480
  486    HA   SER  55           HA       SER  55 204.529   2.350 -11.009
  487   1HB   SER  55          HB2       SER  55 204.083   1.124 -12.981
  488   2HB   SER  55          HB1       SER  55 202.837   2.372 -12.945
  489    HG   SER  55           HG       SER  55 204.793   1.940 -14.773
  490    H    ASP  56           HN       ASP  56 206.001   4.946 -12.624
  491    HA   ASP  56           HA       ASP  56 208.441   3.421 -13.158
  492   1HB   ASP  56          HB2       ASP  56 207.300   5.968 -14.174
  493   2HB   ASP  56          HB1       ASP  56 209.053   5.902 -14.010
  494    H    LEU  57           HN       LEU  57 206.990   5.219 -10.756
  495    HA   LEU  57           HA       LEU  57 209.053   6.798  -9.759
  496   1HB   LEU  57          HB2       LEU  57 206.731   6.943  -8.984
  497   2HB   LEU  57          HB1       LEU  57 206.896   5.375  -8.216
  498    HG   LEU  57           HG       LEU  57 208.931   6.602  -7.021
  499   1HD1  LEU  57          HD11      LEU  57 208.568   8.688  -8.273
  500   2HD1  LEU  57          HD12      LEU  57 208.434   8.902  -6.529
  501   3HD1  LEU  57          HD13      LEU  57 206.980   8.836  -7.523
  502   1HD2  LEU  57          HD21      LEU  57 206.059   6.349  -6.375
  503   2HD2  LEU  57          HD22      LEU  57 207.021   7.403  -5.339
  504   3HD2  LEU  57          HD23      LEU  57 207.472   5.710  -5.538
  505    H    THR  58           HN       THR  58 211.033   6.088  -9.363
  506    HA   THR  58           HA       THR  58 211.658   3.411  -8.680
  507    HB   THR  58           HB       THR  58 213.827   5.008  -7.896
  508    HG1  THR  58           HG1      THR  58 212.788   6.798  -8.840
  509   1HG2  THR  58          HG21      THR  58 214.751   3.491  -9.205
  510   2HG2  THR  58          HG22      THR  58 214.190   4.417 -10.597
  511   3HG2  THR  58          HG23      THR  58 213.197   3.111  -9.947
  512    H    VAL  59           HN       VAL  59 212.265   2.487  -6.773
  513    HA   VAL  59           HA       VAL  59 210.924   3.061  -4.472
  514    HB   VAL  59           HB       VAL  59 213.509   1.628  -4.958
  515   1HG1  VAL  59          HG11      VAL  59 212.219   2.107  -2.276
  516   2HG1  VAL  59          HG12      VAL  59 213.873   2.479  -2.761
  517   3HG1  VAL  59          HG13      VAL  59 213.362   0.799  -2.585
  518   1HG2  VAL  59          HG21      VAL  59 212.259  -0.246  -4.981
  519   2HG2  VAL  59          HG22      VAL  59 210.959   0.884  -5.358
  520   3HG2  VAL  59          HG23      VAL  59 211.187   0.324  -3.701
  521    H    GLY  60           HN       GLY  60 213.999   4.406  -5.536
  522   1HA   GLY  60          HA2       GLY  60 214.789   5.634  -3.136
  523   2HA   GLY  60          HA1       GLY  60 215.240   6.174  -4.748
  524    H    GLN  61           HN       GLN  61 212.552   6.635  -5.647
  525    HA   GLN  61           HA       GLN  61 212.178   9.290  -4.636
  526   1HB   GLN  61          HB2       GLN  61 210.569   7.645  -6.583
  527   2HB   GLN  61          HB1       GLN  61 210.281   9.347  -6.229
  528   1HG   GLN  61          HG2       GLN  61 212.545   9.869  -6.975
  529   2HG   GLN  61          HG1       GLN  61 212.787   8.175  -7.385
  530   1HE2  GLN  61          HE21      GLN  61 210.333   7.583  -8.502
  531   2HE2  GLN  61          HE22      GLN  61 210.147   8.452  -9.985
  532    H    PHE  62           HN       PHE  62 210.254   6.304  -4.615
  533    HA   PHE  62           HA       PHE  62 208.035   7.136  -3.222
  534   1HB   PHE  62          HB2       PHE  62 208.577   4.815  -4.186
  535   2HB   PHE  62          HB1       PHE  62 209.354   4.492  -2.640
  536    HD1  PHE  62           HD1      PHE  62 206.259   6.418  -3.301
  537    HD2  PHE  62           HD2      PHE  62 207.979   2.889  -1.669
  538    HE1  PHE  62           HE1      PHE  62 204.077   5.802  -2.352
  539    HE2  PHE  62           HE2      PHE  62 205.798   2.263  -0.715
  540    HZ   PHE  62           HZ       PHE  62 203.844   3.724  -1.060
  541    H    TYR  63           HN       TYR  63 211.156   6.111  -1.918
  542    HA   TYR  63           HA       TYR  63 210.620   6.109   0.796
  543   1HB   TYR  63          HB2       TYR  63 213.011   6.563  -0.893
  544   2HB   TYR  63          HB1       TYR  63 213.122   7.161   0.756
  545    HD1  TYR  63           HD1      TYR  63 212.285   5.357   2.575
  546    HD2  TYR  63           HD2      TYR  63 213.771   4.463  -1.302
  547    HE1  TYR  63           HE1      TYR  63 212.927   3.138   3.352
  548    HE2  TYR  63           HE2      TYR  63 214.406   2.213  -0.544
  549    HH   TYR  63           HH       TYR  63 215.014   1.178   1.834
  550    H    PHE  64           HN       PHE  64 212.333   8.726  -0.797
  551    HA   PHE  64           HA       PHE  64 212.246  10.735   0.974
  552   1HB   PHE  64          HB2       PHE  64 213.370  11.143  -1.025
  553   2HB   PHE  64          HB1       PHE  64 211.995  10.681  -2.012
  554    HD1  PHE  64           HD1      PHE  64 210.522  12.276  -2.845
  555    HD2  PHE  64           HD2      PHE  64 213.303  13.351   0.193
  556    HE1  PHE  64           HE1      PHE  64 209.978  14.652  -3.192
  557    HE2  PHE  64           HE2      PHE  64 212.760  15.728  -0.144
  558    HZ   PHE  64           HZ       PHE  64 211.097  16.381  -1.840
  559    H    LEU  65           HN       LEU  65 209.479   9.733  -1.010
  560    HA   LEU  65           HA       LEU  65 207.843  11.921  -0.203
  561   1HB   LEU  65          HB2       LEU  65 206.505  11.186  -1.811
  562   2HB   LEU  65          HB1       LEU  65 207.726   9.977  -2.153
  563    HG   LEU  65           HG       LEU  65 206.552   8.518  -0.469
  564   1HD1  LEU  65          HD11      LEU  65 204.758   9.271   0.623
  565   2HD1  LEU  65          HD12      LEU  65 203.975   9.730  -0.888
  566   3HD1  LEU  65          HD13      LEU  65 205.062  10.859  -0.078
  567   1HD2  LEU  65          HD21      LEU  65 204.904   9.228  -2.883
  568   2HD2  LEU  65          HD22      LEU  65 205.079   7.651  -2.113
  569   3HD2  LEU  65          HD23      LEU  65 206.436   8.363  -2.987
  570    H    ILE  66           HN       ILE  66 208.078   8.525   0.810
  571    HA   ILE  66           HA       ILE  66 206.078   8.735   2.819
  572    HB   ILE  66           HB       ILE  66 208.328   6.757   2.442
  573   1HG1  ILE  66          HG12      ILE  66 206.699   6.618   0.678
  574   2HG1  ILE  66          HG11      ILE  66 206.458   5.247   1.755
  575   1HG2  ILE  66          HG21      ILE  66 206.385   7.060   4.635
  576   2HG2  ILE  66          HG22      ILE  66 207.976   6.298   4.621
  577   3HG2  ILE  66          HG23      ILE  66 206.574   5.427   3.995
  578   1HD1  ILE  66          HD11      ILE  66 204.589   7.195   0.921
  579   2HD1  ILE  66          HD12      ILE  66 204.810   7.364   2.663
  580   3HD1  ILE  66          HD13      ILE  66 204.337   5.810   1.980
  581    H    ARG  67           HN       ARG  67 209.539   9.176   2.706
  582    HA   ARG  67           HA       ARG  67 210.205   9.224   5.385
  583   1HB   ARG  67          HB2       ARG  67 211.292  10.710   3.005
  584   2HB   ARG  67          HB1       ARG  67 212.039  10.804   4.601
  585   1HG   ARG  67          HG2       ARG  67 212.074   8.258   4.532
  586   2HG   ARG  67          HG1       ARG  67 211.747   8.419   2.809
  587   1HD   ARG  67          HD2       ARG  67 213.903  10.121   3.747
  588   2HD   ARG  67          HD1       ARG  67 214.206   8.400   4.012
  589    HE   ARG  67           HE       ARG  67 213.300   9.075   1.361
  590   1HH1  ARG  67          HH11      ARG  67 216.067   8.657   3.442
  591   2HH1  ARG  67          HH12      ARG  67 217.161   8.356   2.134
  592   1HH2  ARG  67          HH21      ARG  67 214.736   8.682  -0.361
  593   2HH2  ARG  67          HH22      ARG  67 216.407   8.372  -0.024
  594    H    LYS  68           HN       LYS  68 208.461  11.595   3.519
  595    HA   LYS  68           HA       LYS  68 208.757  13.667   5.523
  596   1HB   LYS  68          HB2       LYS  68 206.890  13.567   3.151
  597   2HB   LYS  68          HB1       LYS  68 207.272  14.980   4.124
  598   1HG   LYS  68          HG2       LYS  68 209.490  15.059   3.308
  599   2HG   LYS  68          HG1       LYS  68 209.340  13.466   2.561
  600   1HD   LYS  68          HD2       LYS  68 207.272  14.844   1.415
  601   2HD   LYS  68          HD1       LYS  68 208.510  16.092   1.577
  602   1HE   LYS  68          HE2       LYS  68 210.062  14.841   0.303
  603   2HE   LYS  68          HE1       LYS  68 209.066  13.394   0.373
  604   1HZ   LYS  68          HZ1       LYS  68 208.382  14.073  -1.633
  605   2HZ   LYS  68          HZ2       LYS  68 208.875  15.673  -1.393
  606   3HZ   LYS  68          HZ3       LYS  68 207.393  15.144  -0.775
  607    H    ARG  69           HN       ARG  69 206.289  11.402   4.415
  608    HA   ARG  69           HA       ARG  69 204.151  12.260   5.981
  609   1HB   ARG  69          HB2       ARG  69 204.779   9.388   5.294
  610   2HB   ARG  69          HB1       ARG  69 203.199  10.081   5.636
  611   1HG   ARG  69          HG2       ARG  69 204.542  11.434   3.454
  612   2HG   ARG  69          HG1       ARG  69 204.318   9.710   3.146
  613   1HD   ARG  69          HD2       ARG  69 202.073   9.889   3.027
  614   2HD   ARG  69          HD1       ARG  69 202.000  11.127   4.282
  615    HE   ARG  69           HE       ARG  69 202.122  11.541   1.453
  616   1HH1  ARG  69          HH11      ARG  69 202.923  12.931   4.551
  617   2HH1  ARG  69          HH12      ARG  69 202.911  14.561   3.964
  618   1HH2  ARG  69          HH21      ARG  69 202.107  13.682   0.677
  619   2HH2  ARG  69          HH22      ARG  69 202.448  14.987   1.764
  620    H    ILE  70           HN       ILE  70 207.066  10.679   6.861
  621    HA   ILE  70           HA       ILE  70 206.022  10.023   9.525
  622    HB   ILE  70           HB       ILE  70 208.639   9.079   9.423
  623   1HG1  ILE  70          HG12      ILE  70 207.256   8.172   6.908
  624   2HG1  ILE  70          HG11      ILE  70 208.430   9.484   6.906
  625   1HG2  ILE  70          HG21      ILE  70 207.675   7.139  10.023
  626   2HG2  ILE  70          HG22      ILE  70 206.486   7.201   8.720
  627   3HG2  ILE  70          HG23      ILE  70 206.248   8.163  10.179
  628   1HD1  ILE  70          HD11      ILE  70 210.150   8.089   7.015
  629   2HD1  ILE  70          HD12      ILE  70 208.991   6.840   6.556
  630   3HD1  ILE  70          HD13      ILE  70 209.386   7.095   8.257
  631    H    HIS  71           HN       HIS  71 208.051  12.162   7.799
  632    HA   HIS  71           HA       HIS  71 208.916  14.155   8.487
  633   1HB   HIS  71          HB2       HIS  71 208.808  13.257  11.362
  634   2HB   HIS  71          HB1       HIS  71 208.901  14.900  10.738
  635    HD1  HIS  71           HD1      HIS  71 206.636  13.481  12.630
  636    HD2  HIS  71           HD2      HIS  71 206.317  14.639   8.653
  637    HE1  HIS  71           HE1      HIS  71 204.176  13.801  12.218
  638    HE2  HIS  71           HE2      HIS  71 204.011  14.554   9.820
  639    H    LEU  72           HN       LEU  72 210.514  12.483   7.432
  640    HA   LEU  72           HA       LEU  72 212.869  12.233   9.186
  641   1HB   LEU  72          HB2       LEU  72 212.172  10.888   6.576
  642   2HB   LEU  72          HB1       LEU  72 213.767  10.804   7.299
  643    HG   LEU  72           HG       LEU  72 212.455   8.788   7.754
  644   1HD1  LEU  72          HD11      LEU  72 213.952   8.955   9.447
  645   2HD1  LEU  72          HD12      LEU  72 212.473   9.136  10.390
  646   3HD1  LEU  72          HD13      LEU  72 213.402  10.559   9.925
  647   1HD2  LEU  72          HD21      LEU  72 210.479   8.815   9.081
  648   2HD2  LEU  72          HD22      LEU  72 210.242   9.935   7.739
  649   3HD2  LEU  72          HD23      LEU  72 210.614  10.553   9.349
  650    H    ARG  73           HN       ARG  73 214.771  13.252   8.652
  651    HA   ARG  73           HA       ARG  73 214.514  15.420   6.726
  652   1HB   ARG  73          HB2       ARG  73 216.768  16.103   7.719
  653   2HB   ARG  73          HB1       ARG  73 215.364  16.183   8.773
  654   1HG   ARG  73          HG2       ARG  73 216.955  13.681   8.788
  655   2HG   ARG  73          HG1       ARG  73 217.655  15.112   9.547
  656   1HD   ARG  73          HD2       ARG  73 214.937  14.906  10.361
  657   2HD   ARG  73          HD1       ARG  73 215.697  13.332  10.577
  658    HE   ARG  73           HE       ARG  73 217.064  14.229  12.211
  659   1HH1  ARG  73          HH11      ARG  73 215.247  16.772  10.651
  660   2HH1  ARG  73          HH12      ARG  73 215.651  17.960  11.843
  661   1HH2  ARG  73          HH21      ARG  73 217.594  15.793  13.776
  662   2HH2  ARG  73          HH22      ARG  73 216.983  17.405  13.615
  663    H    ALA  74           HN       ALA  74 214.621  13.104   5.354
  664    HA   ALA  74           HA       ALA  74 215.676  12.092   3.610
  665   1HB   ALA  74          HB1       ALA  74 217.060  14.682   3.852
  666   2HB   ALA  74          HB2       ALA  74 216.298  13.926   2.454
  667   3HB   ALA  74          HB3       ALA  74 217.917  13.434   2.947
  668    H    GLU  75           HN       GLU  75 218.504  13.395   5.339
  669    HA   GLU  75           HA       GLU  75 220.107  11.156   5.099
  670   1HB   GLU  75          HB2       GLU  75 220.039  13.252   7.273
  671   2HB   GLU  75          HB1       GLU  75 221.315  12.052   7.118
  672   1HG   GLU  75          HG2       GLU  75 221.828  12.923   4.875
  673   2HG   GLU  75          HG1       GLU  75 220.593  14.162   5.097
  674    H    ASP  76           HN       ASP  76 217.462  11.742   7.264
  675    HA   ASP  76           HA       ASP  76 218.006   9.946   9.320
  676   1HB   ASP  76          HB2       ASP  76 215.933  11.598   8.731
  677   2HB   ASP  76          HB1       ASP  76 215.203  10.024   8.429
  678    H    ALA  77           HN       ALA  77 216.972   7.876   9.723
  679    HA   ALA  77           HA       ALA  77 217.419   6.132   7.448
  680   1HB   ALA  77          HB1       ALA  77 217.535   4.338   8.994
  681   2HB   ALA  77          HB2       ALA  77 216.830   5.318  10.280
  682   3HB   ALA  77          HB3       ALA  77 218.446   5.688   9.674
  683    H    LEU  78           HN       LEU  78 216.011   4.858   6.499
  684    HA   LEU  78           HA       LEU  78 213.456   4.163   7.502
  685   1HB   LEU  78          HB2       LEU  78 212.940   6.468   6.809
  686   2HB   LEU  78          HB1       LEU  78 213.523   6.105   5.193
  687    HG   LEU  78           HG       LEU  78 211.734   4.289   5.110
  688   1HD1  LEU  78          HD11      LEU  78 209.761   5.043   6.650
  689   2HD1  LEU  78          HD12      LEU  78 211.066   5.643   7.672
  690   3HD1  LEU  78          HD13      LEU  78 210.996   3.934   7.243
  691   1HD2  LEU  78          HD21      LEU  78 210.700   7.106   5.346
  692   2HD2  LEU  78          HD22      LEU  78 210.045   5.793   4.367
  693   3HD2  LEU  78          HD23      LEU  78 211.605   6.502   3.958
  694    H    PHE  79           HN       PHE  79 213.113   2.192   6.710
  695    HA   PHE  79           HA       PHE  79 214.116   1.583   4.012
  696   1HB   PHE  79          HB2       PHE  79 214.125  -0.319   6.366
  697   2HB   PHE  79          HB1       PHE  79 214.734  -0.652   4.750
  698    HD1  PHE  79           HD1      PHE  79 216.953  -0.253   4.235
  699    HD2  PHE  79           HD2      PHE  79 215.253   1.578   7.679
  700    HE1  PHE  79           HE1      PHE  79 219.183   0.538   4.911
  701    HE2  PHE  79           HE2      PHE  79 217.478   2.377   8.358
  702    HZ   PHE  79           HZ       PHE  79 219.448   1.857   6.974
  703    H    PHE  80           HN       PHE  80 212.671   0.703   2.665
  704    HA   PHE  80           HA       PHE  80 209.982   0.287   3.605
  705   1HB   PHE  80          HB2       PHE  80 211.279   0.233   0.892
  706   2HB   PHE  80          HB1       PHE  80 209.625  -0.323   1.119
  707    HD1  PHE  80           HD1      PHE  80 208.925   1.759   3.287
  708    HD2  PHE  80           HD2      PHE  80 210.776   2.048  -0.535
  709    HE1  PHE  80           HE1      PHE  80 208.132   4.077   3.084
  710    HE2  PHE  80           HE2      PHE  80 209.982   4.363  -0.745
  711    HZ   PHE  80           HZ       PHE  80 208.660   5.382   1.065
  712    H    PHE  81           HN       PHE  81 208.851  -1.618   3.663
  713    HA   PHE  81           HA       PHE  81 210.345  -4.065   3.065
  714   1HB   PHE  81          HB2       PHE  81 208.799  -3.529   5.606
  715   2HB   PHE  81          HB1       PHE  81 209.489  -5.086   5.153
  716    HD1  PHE  81           HD1      PHE  81 210.219  -1.685   6.279
  717    HD2  PHE  81           HD2      PHE  81 211.867  -5.468   5.242
  718    HE1  PHE  81           HE1      PHE  81 212.368  -1.019   7.277
  719    HE2  PHE  81           HE2      PHE  81 214.016  -4.813   6.243
  720    HZ   PHE  81           HZ       PHE  81 214.277  -2.583   7.252
  721    H    VAL  82           HN       VAL  82 209.257  -5.006   1.494
  722    HA   VAL  82           HA       VAL  82 206.318  -5.088   1.664
  723    HB   VAL  82           HB       VAL  82 207.375  -3.854  -0.324
  724   1HG1  VAL  82          HG11      VAL  82 208.369  -5.015  -2.064
  725   2HG1  VAL  82          HG12      VAL  82 207.756  -6.575  -1.510
  726   3HG1  VAL  82          HG13      VAL  82 209.067  -5.781  -0.636
  727   1HG2  VAL  82          HG21      VAL  82 205.655  -6.026  -1.378
  728   2HG2  VAL  82          HG22      VAL  82 205.514  -4.277  -1.556
  729   3HG2  VAL  82          HG23      VAL  82 205.022  -5.053  -0.050
  730    H    ASN  83           HN       ASN  83 205.514  -7.037   2.099
  731    HA   ASN  83           HA       ASN  83 205.309  -9.300   2.295
  732   1HB   ASN  83          HB2       ASN  83 207.453  -9.500   0.164
  733   2HB   ASN  83          HB1       ASN  83 206.294 -10.743   0.622
  734   1HD2  ASN  83          HD21      ASN  83 204.118 -10.494   0.031
  735   2HD2  ASN  83          HD22      ASN  83 203.650  -9.443  -1.258
  736    H    ASN  84           HN       ASN  84 207.405  -7.596   3.627
  737    HA   ASN  84           HA       ASN  84 208.733  -8.000   5.447
  738   1HB   ASN  84          HB2       ASN  84 207.753 -10.483   5.135
  739   2HB   ASN  84          HB1       ASN  84 209.435 -10.787   4.715
  740   1HD2  ASN  84          HD21      ASN  84 207.218  -9.911   7.216
  741   2HD2  ASN  84          HD22      ASN  84 208.326 -10.043   8.535
  742    H    VAL  85           HN       VAL  85 209.518  -7.804   2.328
  743    HA   VAL  85           HA       VAL  85 212.395  -8.094   2.858
  744    HB   VAL  85           HB       VAL  85 211.513  -9.645   1.179
  745   1HG1  VAL  85          HG11      VAL  85 209.940  -8.903  -0.211
  746   2HG1  VAL  85          HG12      VAL  85 211.258  -8.170  -1.126
  747   3HG1  VAL  85          HG13      VAL  85 210.382  -7.219   0.073
  748   1HG2  VAL  85          HG21      VAL  85 213.868  -8.662   1.203
  749   2HG2  VAL  85          HG22      VAL  85 213.338  -7.705  -0.180
  750   3HG2  VAL  85          HG23      VAL  85 213.335  -9.466  -0.272
  751    H    ILE  86           HN       ILE  86 213.791  -6.678   1.668
  752    HA   ILE  86           HA       ILE  86 212.707  -3.965   1.565
  753    HB   ILE  86           HB       ILE  86 215.572  -4.905   1.553
  754   1HG1  ILE  86          HG12      ILE  86 213.637  -4.169   3.701
  755   2HG1  ILE  86          HG11      ILE  86 214.881  -5.415   3.690
  756   1HG2  ILE  86          HG21      ILE  86 214.784  -2.565   0.557
  757   2HG2  ILE  86          HG22      ILE  86 216.267  -2.732   1.495
  758   3HG2  ILE  86          HG23      ILE  86 214.802  -2.126   2.264
  759   1HD1  ILE  86          HD11      ILE  86 215.357  -2.462   3.955
  760   2HD1  ILE  86          HD12      ILE  86 216.591  -3.721   3.979
  761   3HD1  ILE  86          HD13      ILE  86 215.390  -3.640   5.265
  762    HA   PRO  87           HA       PRO  87 212.896  -4.337  -2.918
  763   1HB   PRO  87          HB2       PRO  87 211.753  -1.968  -3.499
  764   2HB   PRO  87          HB1       PRO  87 210.810  -3.344  -2.911
  765   1HG   PRO  87          HG2       PRO  87 211.822  -0.961  -1.409
  766   2HG   PRO  87          HG1       PRO  87 210.237  -1.748  -1.319
  767   1HD   PRO  87          HD2       PRO  87 212.231  -2.174   0.495
  768   2HD   PRO  87          HD1       PRO  87 210.993  -3.385   0.102
  769    HA   PRO  88           HA       PRO  88 216.612  -2.087  -3.797
  770   1HB   PRO  88          HB2       PRO  88 215.955  -2.225  -6.645
  771   2HB   PRO  88          HB1       PRO  88 217.245  -3.040  -5.758
  772   1HG   PRO  88          HG2       PRO  88 215.124  -4.375  -6.763
  773   2HG   PRO  88          HG1       PRO  88 215.932  -4.867  -5.263
  774   1HD   PRO  88          HD2       PRO  88 213.389  -3.324  -5.625
  775   2HD   PRO  88          HD1       PRO  88 213.757  -4.647  -4.495
  776    H    THR  89           HN       THR  89 217.100   0.021  -3.866
  777    HA   THR  89           HA       THR  89 215.172   2.014  -4.200
  778    HB   THR  89           HB       THR  89 217.233   3.542  -4.424
  779    HG1  THR  89           HG1      THR  89 218.568   1.708  -5.137
  780   1HG2  THR  89          HG21      THR  89 217.701   3.502  -2.136
  781   2HG2  THR  89          HG22      THR  89 217.314   1.786  -1.999
  782   3HG2  THR  89          HG23      THR  89 216.028   2.962  -2.272
  783    H    SER  90           HN       SER  90 217.068   0.326  -6.529
  784    HA   SER  90           HA       SER  90 216.820   2.323  -8.593
  785   1HB   SER  90          HB2       SER  90 218.701   0.580  -8.354
  786   2HB   SER  90          HB1       SER  90 217.549  -0.567  -9.039
  787    HG   SER  90           HG       SER  90 217.343   0.982 -10.810
  788    H    ALA  91           HN       ALA  91 215.124  -0.580  -7.599
  789    HA   ALA  91           HA       ALA  91 213.609  -1.032  -9.910
  790   1HB   ALA  91          HB1       ALA  91 213.775  -2.633  -8.055
  791   2HB   ALA  91          HB2       ALA  91 212.099  -2.297  -8.491
  792   3HB   ALA  91          HB3       ALA  91 212.802  -1.557  -7.052
  793    H    THR  92           HN       THR  92 211.305  -0.624 -10.235
  794    HA   THR  92           HA       THR  92 210.558   2.048  -9.260
  795    HB   THR  92           HB       THR  92 209.266   2.322 -11.285
  796    HG1  THR  92           HG1      THR  92 209.172   0.683 -12.823
  797   1HG2  THR  92          HG21      THR  92 211.051   1.897 -13.057
  798   2HG2  THR  92          HG22      THR  92 212.056   1.338 -11.721
  799   3HG2  THR  92          HG23      THR  92 211.447   2.992 -11.732
  800    H    MET  93           HN       MET  93 208.469   2.458  -8.553
  801    HA   MET  93           HA       MET  93 207.197   0.594  -6.992
  802   1HB   MET  93          HB2       MET  93 206.076   3.016  -8.396
  803   2HB   MET  93          HB1       MET  93 205.140   2.066  -7.252
  804   1HG   MET  93          HG2       MET  93 207.758   2.897  -6.263
  805   2HG   MET  93          HG1       MET  93 206.665   4.225  -6.641
  806   1HE   MET  93          HE1       MET  93 205.744   0.838  -3.675
  807   2HE   MET  93          HE2       MET  93 206.830   0.756  -5.062
  808   3HE   MET  93          HE3       MET  93 205.084   0.719  -5.306
  809    H    GLY  94           HN       GLY  94 206.697   1.263 -10.412
  810   1HA   GLY  94          HA2       GLY  94 204.387  -0.322 -10.768
  811   2HA   GLY  94          HA1       GLY  94 205.523   0.133 -12.032
  812    H    GLN  95           HN       GLN  95 207.837  -1.075 -10.992
  813    HA   GLN  95           HA       GLN  95 207.523  -3.709 -11.944
  814   1HB   GLN  95          HB2       GLN  95 209.768  -2.454 -10.348
  815   2HB   GLN  95          HB1       GLN  95 209.850  -4.045 -11.095
  816   1HG   GLN  95          HG2       GLN  95 209.032  -2.125 -13.046
  817   2HG   GLN  95          HG1       GLN  95 210.487  -1.556 -12.230
  818   1HE2  GLN  95          HE21      GLN  95 209.427  -4.840 -12.999
  819   2HE2  GLN  95          HE22      GLN  95 210.792  -5.241 -13.978
  820    H    LEU  96           HN       LEU  96 207.705  -2.328  -8.703
  821    HA   LEU  96           HA       LEU  96 207.765  -4.764  -7.286
  822   1HB   LEU  96          HB2       LEU  96 206.526  -2.154  -6.393
  823   2HB   LEU  96          HB1       LEU  96 207.016  -3.479  -5.356
  824    HG   LEU  96           HG       LEU  96 208.778  -1.577  -6.879
  825   1HD1  LEU  96          HD11      LEU  96 208.465  -2.290  -3.968
  826   2HD1  LEU  96          HD12      LEU  96 208.070  -0.756  -4.747
  827   3HD1  LEU  96          HD13      LEU  96 209.752  -1.267  -4.607
  828   1HD2  LEU  96          HD21      LEU  96 209.382  -4.296  -5.815
  829   2HD2  LEU  96          HD22      LEU  96 210.609  -3.035  -5.704
  830   3HD2  LEU  96          HD23      LEU  96 209.967  -3.504  -7.277
  831    H    TYR  97           HN       TYR  97 205.106  -2.686  -8.344
  832    HA   TYR  97           HA       TYR  97 203.013  -4.161  -7.217
  833   1HB   TYR  97          HB2       TYR  97 202.675  -1.909  -8.090
  834   2HB   TYR  97          HB1       TYR  97 203.018  -2.474  -9.723
  835    HD1  TYR  97           HD1      TYR  97 201.427  -4.049 -10.834
  836    HD2  TYR  97           HD2      TYR  97 200.518  -2.151  -7.135
  837    HE1  TYR  97           HE1      TYR  97 199.044  -4.569 -11.160
  838    HE2  TYR  97           HE2      TYR  97 198.133  -2.666  -7.450
  839    HH   TYR  97           HH       TYR  97 196.983  -4.890  -9.478
  840    H    GLN  98           HN       GLN  98 204.551  -4.388 -10.397
  841    HA   GLN  98           HA       GLN  98 202.848  -6.422 -11.373
  842   1HB   GLN  98          HB2       GLN  98 205.648  -5.663 -12.180
  843   2HB   GLN  98          HB1       GLN  98 204.602  -6.748 -13.082
  844   1HG   GLN  98          HG2       GLN  98 203.028  -4.533 -12.791
  845   2HG   GLN  98          HG1       GLN  98 204.637  -3.837 -12.973
  846   1HE2  GLN  98          HE21      GLN  98 205.468  -3.674 -14.946
  847   2HE2  GLN  98          HE22      GLN  98 204.806  -4.388 -16.373
  848    H    GLU  99           HN       GLU  99 205.599  -6.481  -9.261
  849    HA   GLU  99           HA       GLU  99 205.621  -9.424  -9.434
  850   1HB   GLU  99          HB2       GLU  99 207.862  -7.479  -8.980
  851   2HB   GLU  99          HB1       GLU  99 208.018  -9.197  -8.627
  852   1HG   GLU  99          HG2       GLU  99 207.029  -9.212 -11.172
  853   2HG   GLU  99          HG1       GLU  99 208.065  -7.786 -11.176
  854    H    HIS 100           HN       HIS 100 204.270  -7.335  -7.456
  855    HA   HIS 100           HA       HIS 100 204.790  -9.009  -5.151
  856   1HB   HIS 100          HB2       HIS 100 205.409  -6.060  -5.072
  857   2HB   HIS 100          HB1       HIS 100 205.278  -7.085  -3.649
  858    HD1  HIS 100           HD1      HIS 100 207.285  -8.471  -3.025
  859    HD2  HIS 100           HD2      HIS 100 207.664  -6.675  -6.752
  860    HE1  HIS 100           HE1      HIS 100 209.672  -8.854  -3.715
  861    HE2  HIS 100           HE2      HIS 100 209.902  -7.683  -5.935
  862    H    HIS 101           HN       HIS 101 202.715  -6.870  -6.835
  863    HA   HIS 101           HA       HIS 101 200.991  -6.049  -4.820
  864   1HB   HIS 101          HB2       HIS 101 199.500  -5.444  -6.473
  865   2HB   HIS 101          HB1       HIS 101 200.986  -5.542  -7.397
  866    HD1  HIS 101           HD1      HIS 101 197.712  -7.283  -6.879
  867    HD2  HIS 101           HD2      HIS 101 201.053  -7.569  -9.332
  868    HE1  HIS 101           HE1      HIS 101 197.073  -8.891  -8.704
  869    HE2  HIS 101           HE2      HIS 101 199.080  -8.980 -10.223
  870    H    GLU 102           HN       GLU 102 200.251  -7.325  -3.272
  871    HA   GLU 102           HA       GLU 102 199.698 -10.104  -3.675
  872   1HB   GLU 102          HB2       GLU 102 199.055  -8.348  -1.299
  873   2HB   GLU 102          HB1       GLU 102 199.048 -10.106  -1.320
  874   1HG   GLU 102          HG2       GLU 102 201.088  -9.735  -0.397
  875   2HG   GLU 102          HG1       GLU 102 201.536  -9.773  -2.102
  876    H    GLU 103           HN       GLU 103 198.115  -9.758  -5.428
  877    HA   GLU 103           HA       GLU 103 196.002  -9.684  -6.269
  878   1HB   GLU 103          HB2       GLU 103 195.975 -11.218  -3.890
  879   2HB   GLU 103          HB1       GLU 103 194.490 -10.278  -3.914
  880   1HG   GLU 103          HG2       GLU 103 195.457 -12.005  -6.175
  881   2HG   GLU 103          HG1       GLU 103 194.275 -12.504  -4.964
  882    H    ASP 104           HN       ASP 104 193.544  -9.020  -5.120
  883    HA   ASP 104           HA       ASP 104 192.231  -7.174  -4.910
  884   1HB   ASP 104          HB2       ASP 104 193.641  -5.669  -2.965
  885   2HB   ASP 104          HB1       ASP 104 192.269  -6.743  -2.725
  886    H    PHE 105           HN       PHE 105 194.563  -6.996  -6.791
  887    HA   PHE 105           HA       PHE 105 195.749  -5.453  -8.001
  888   1HB   PHE 105          HB2       PHE 105 193.072  -4.115  -7.615
  889   2HB   PHE 105          HB1       PHE 105 194.294  -3.517  -8.731
  890    HD1  PHE 105           HD1      PHE 105 195.229  -5.373 -10.384
  891    HD2  PHE 105           HD2      PHE 105 191.444  -5.500  -8.441
  892    HE1  PHE 105           HE1      PHE 105 194.394  -6.907 -12.117
  893    HE2  PHE 105           HE2      PHE 105 190.604  -7.034 -10.169
  894    HZ   PHE 105           HZ       PHE 105 192.080  -7.739 -12.012
  895    H    PHE 106           HN       PHE 106 196.087  -5.224  -5.077
  896    HA   PHE 106           HA       PHE 106 196.772  -2.372  -4.907
  897   1HB   PHE 106          HB2       PHE 106 195.462  -4.180  -3.008
  898   2HB   PHE 106          HB1       PHE 106 196.787  -3.259  -2.305
  899    HD1  PHE 106           HD1      PHE 106 195.461  -1.898  -0.875
  900    HD2  PHE 106           HD2      PHE 106 194.681  -2.044  -5.056
  901    HE1  PHE 106           HE1      PHE 106 193.987   0.062  -0.661
  902    HE2  PHE 106           HE2      PHE 106 193.204  -0.074  -4.847
  903    HZ   PHE 106           HZ       PHE 106 192.857   0.974  -2.648
  904    H    LEU 107           HN       LEU 107 198.593  -1.920  -3.399
  905    HA   LEU 107           HA       LEU 107 200.647  -4.017  -3.403
  906   1HB   LEU 107          HB2       LEU 107 200.863  -2.449  -5.361
  907   2HB   LEU 107          HB1       LEU 107 201.169  -1.162  -4.211
  908    HG   LEU 107           HG       LEU 107 203.267  -1.885  -5.109
  909   1HD1  LEU 107          HD11      LEU 107 204.476  -2.502  -3.135
  910   2HD1  LEU 107          HD12      LEU 107 203.008  -3.100  -2.364
  911   3HD1  LEU 107          HD13      LEU 107 203.194  -1.377  -2.694
  912   1HD2  LEU 107          HD21      LEU 107 203.081  -4.639  -4.047
  913   2HD2  LEU 107          HD22      LEU 107 203.884  -4.030  -5.493
  914   3HD2  LEU 107          HD23      LEU 107 202.139  -4.291  -5.496
  915    H    TYR 108           HN       TYR 108 200.152  -4.179  -1.143
  916    HA   TYR 108           HA       TYR 108 200.500  -1.875   0.537
  917   1HB   TYR 108          HB2       TYR 108 199.500  -3.099   2.164
  918   2HB   TYR 108          HB1       TYR 108 199.044  -4.121   0.810
  919    HD1  TYR 108           HD1      TYR 108 201.449  -5.670   0.270
  920    HD2  TYR 108           HD2      TYR 108 199.780  -4.400   3.951
  921    HE1  TYR 108           HE1      TYR 108 202.508  -7.590   1.390
  922    HE2  TYR 108           HE2      TYR 108 200.839  -6.310   5.107
  923    HH   TYR 108           HH       TYR 108 201.955  -8.954   3.621
  924    H    ILE 109           HN       ILE 109 202.173  -1.300   1.772
  925    HA   ILE 109           HA       ILE 109 204.629  -2.916   1.718
  926    HB   ILE 109           HB       ILE 109 204.382  -0.007   0.958
  927   1HG1  ILE 109          HG12      ILE 109 204.809  -2.542  -0.571
  928   2HG1  ILE 109          HG11      ILE 109 203.725  -1.200  -0.909
  929   1HG2  ILE 109          HG21      ILE 109 206.841  -0.208   0.442
  930   2HG2  ILE 109          HG22      ILE 109 206.827  -1.726   1.339
  931   3HG2  ILE 109          HG23      ILE 109 206.423  -0.214   2.153
  932   1HD1  ILE 109          HD11      ILE 109 206.544  -1.594  -1.644
  933   2HD1  ILE 109          HD12      ILE 109 206.077   0.044  -1.188
  934   3HD1  ILE 109          HD13      ILE 109 205.243  -0.774  -2.511
  935    H    ALA 110           HN       ALA 110 206.318  -1.989   3.223
  936    HA   ALA 110           HA       ALA 110 205.156  -0.543   5.515
  937   1HB   ALA 110          HB1       ALA 110 205.188  -2.835   6.188
  938   2HB   ALA 110          HB2       ALA 110 206.502  -2.002   7.017
  939   3HB   ALA 110          HB3       ALA 110 206.848  -3.030   5.627
  940    H    TYR 111           HN       TYR 111 206.803   0.381   6.942
  941    HA   TYR 111           HA       TYR 111 209.417   0.873   5.723
  942   1HB   TYR 111          HB2       TYR 111 209.225   3.259   5.760
  943   2HB   TYR 111          HB1       TYR 111 207.838   2.632   4.876
  944    HD1  TYR 111           HD1      TYR 111 208.919   4.043   8.095
  945    HD2  TYR 111           HD2      TYR 111 205.636   3.064   5.620
  946    HE1  TYR 111           HE1      TYR 111 207.441   5.299   9.601
  947    HE2  TYR 111           HE2      TYR 111 204.122   4.312   7.098
  948    HH   TYR 111           HH       TYR 111 205.346   6.048   9.943
  949    H    SER 112           HN       SER 112 210.973   0.869   7.221
  950    HA   SER 112           HA       SER 112 210.298   1.503  10.026
  951   1HB   SER 112          HB2       SER 112 210.548  -0.684  10.485
  952   2HB   SER 112          HB1       SER 112 211.262  -1.027   8.913
  953    HG   SER 112           HG       SER 112 212.506  -0.254  11.311
  954    H    ASP 113           HN       ASP 113 212.309   1.903  11.343
  955    HA   ASP 113           HA       ASP 113 214.069   3.635   9.810
  956   1HB   ASP 113          HB2       ASP 113 213.062   4.449  11.914
  957   2HB   ASP 113          HB1       ASP 113 213.919   3.188  12.798
  958    H    GLU 114           HN       GLU 114 214.129   0.495  10.140
  959    HA   GLU 114           HA       GLU 114 217.057   0.363  10.343
  960   1HB   GLU 114          HB2       GLU 114 215.167  -1.684  11.517
  961   2HB   GLU 114          HB1       GLU 114 216.924  -1.731  11.570
  962   1HG   GLU 114          HG2       GLU 114 216.315   0.710  12.693
  963   2HG   GLU 114          HG1       GLU 114 215.040  -0.351  13.291
  964    H    SER 115           HN       SER 115 217.779  -1.917   9.531
  965    HA   SER 115           HA       SER 115 216.727  -2.147   6.856
  966   1HB   SER 115          HB2       SER 115 218.537  -3.840   6.546
  967   2HB   SER 115          HB1       SER 115 219.124  -2.279   7.125
  968    HG   SER 115           HG       SER 115 219.650  -3.154   8.993
  969    H    VAL 116           HN       VAL 116 215.605  -3.365   9.651
  970    HA   VAL 116           HA       VAL 116 214.730  -5.876   8.418
  971    HB   VAL 116           HB       VAL 116 213.947  -5.837  11.139
  972   1HG1  VAL 116          HG11      VAL 116 215.550  -7.754  11.294
  973   2HG1  VAL 116          HG12      VAL 116 216.072  -7.372   9.654
  974   3HG1  VAL 116          HG13      VAL 116 214.404  -7.854   9.958
  975   1HG2  VAL 116          HG21      VAL 116 216.241  -5.754  12.211
  976   2HG2  VAL 116          HG22      VAL 116 215.545  -4.202  11.745
  977   3HG2  VAL 116          HG23      VAL 116 216.796  -4.943  10.747
  978    H    TYR 117           HN       TYR 117 212.480  -6.389   8.706
  979    HA   TYR 117           HA       TYR 117 210.756  -4.260   8.129
  980   1HB   TYR 117          HB2       TYR 117 210.077  -6.416   7.411
  981   2HB   TYR 117          HB1       TYR 117 210.243  -7.094   9.030
  982    HD1  TYR 117           HD1      TYR 117 208.496  -4.071   7.729
  983    HD2  TYR 117           HD2      TYR 117 208.173  -7.772   9.792
  984    HE1  TYR 117           HE1      TYR 117 206.130  -3.606   8.171
  985    HE2  TYR 117           HE2      TYR 117 205.801  -7.323  10.239
  986    HH   TYR 117           HH       TYR 117 204.090  -4.769   8.708
  987    H    GLY 118           HN       GLY 118 211.588  -2.883   9.978
  988   1HA   GLY 118          HA2       GLY 118 211.099  -1.755  11.918
  989   2HA   GLY 118          HA1       GLY 118 209.574  -2.631  11.943
  990    H    LEU 119           HN       LEU 119 209.853  -5.006  12.535
  991    HA   LEU 119           HA       LEU 119 210.222  -5.570  15.039
  992   1HB   LEU 119          HB2       LEU 119 211.178  -7.167  12.686
  993   2HB   LEU 119          HB1       LEU 119 211.274  -7.807  14.320
  994    HG   LEU 119           HG       LEU 119 208.633  -6.732  13.727
  995   1HD1  LEU 119          HD11      LEU 119 209.674  -7.811  11.498
  996   2HD1  LEU 119          HD12      LEU 119 207.968  -7.928  11.928
  997   3HD1  LEU 119          HD13      LEU 119 209.060  -9.268  12.279
  998   1HD2  LEU 119          HD21      LEU 119 209.267  -8.156  15.647
  999   2HD2  LEU 119          HD22      LEU 119 209.524  -9.494  14.527
 1000   3HD2  LEU 119          HD23      LEU 119 207.915  -8.795  14.710
  Start of MODEL    8
    1   1H    GLY   1          HT1       GLY   1 205.385 -14.342   6.387
    2   2H    GLY   1          HT2       GLY   1 206.376 -15.356   7.310
    3   3H    GLY   1          HT3       GLY   1 206.914 -14.784   5.812
    4   1HA   GLY   1          HA1       GLY   1 207.979 -13.585   7.619
    5   2HA   GLY   1          HA2       GLY   1 206.980 -12.529   6.633
    6    H    SER   2           HN       SER   2 207.372 -11.338   8.807
    7    HA   SER   2           HA       SER   2 205.019 -11.856  10.494
    8   1HB   SER   2          HB2       SER   2 207.417 -10.657  11.782
    9   2HB   SER   2          HB1       SER   2 206.197 -11.738  12.455
   10    HG   SER   2           HG       SER   2 207.190 -13.400  11.100
   11    H    MET   3           HN       MET   3 204.022 -10.245   9.099
   12    HA   MET   3           HA       MET   3 204.917  -7.509   9.698
   13   1HB   MET   3          HB2       MET   3 203.621  -8.723   7.299
   14   2HB   MET   3          HB1       MET   3 203.291  -7.035   7.669
   15   1HG   MET   3          HG2       MET   3 205.929  -6.943   7.848
   16   2HG   MET   3          HG1       MET   3 205.798  -8.329   6.765
   17   1HE   MET   3          HE1       MET   3 204.888  -4.663   7.426
   18   2HE   MET   3          HE2       MET   3 205.059  -3.947   5.825
   19   3HE   MET   3          HE3       MET   3 206.467  -4.641   6.637
   20    H    LYS   4           HN       LYS   4 203.452  -5.979  10.413
   21    HA   LYS   4           HA       LYS   4 200.773  -6.975  11.127
   22   1HB   LYS   4          HB2       LYS   4 202.838  -5.653  12.820
   23   2HB   LYS   4          HB1       LYS   4 201.155  -5.234  13.108
   24   1HG   LYS   4          HG2       LYS   4 201.288  -6.976  14.531
   25   2HG   LYS   4          HG1       LYS   4 200.923  -7.894  13.069
   26   1HD   LYS   4          HD2       LYS   4 203.501  -7.948  12.766
   27   2HD   LYS   4          HD1       LYS   4 203.538  -7.546  14.484
   28   1HE   LYS   4          HE2       LYS   4 203.663  -9.994  13.971
   29   2HE   LYS   4          HE1       LYS   4 202.354  -9.529  15.055
   30   1HZ   LYS   4          HZ1       LYS   4 200.784 -10.051  13.535
   31   2HZ   LYS   4          HZ2       LYS   4 201.985 -11.103  12.975
   32   3HZ   LYS   4          HZ3       LYS   4 201.739  -9.616  12.207
   33    H    PHE   5           HN       PHE   5 199.171  -5.768  10.355
   34    HA   PHE   5           HA       PHE   5 199.711  -2.940   9.727
   35   1HB   PHE   5          HB2       PHE   5 198.519  -5.089   8.044
   36   2HB   PHE   5          HB1       PHE   5 197.846  -3.470   7.895
   37    HD1  PHE   5           HD1      PHE   5 198.660  -2.285   6.122
   38    HD2  PHE   5           HD2      PHE   5 201.260  -4.955   8.172
   39    HE1  PHE   5           HE1      PHE   5 200.489  -1.670   4.594
   40    HE2  PHE   5           HE2      PHE   5 203.090  -4.342   6.652
   41    HZ   PHE   5           HZ       PHE   5 202.710  -2.701   4.860
   42    H    VAL   6           HN       VAL   6 197.345  -1.980   9.073
   43    HA   VAL   6           HA       VAL   6 195.323  -2.879  10.953
   44    HB   VAL   6           HB       VAL   6 195.142  -0.205  11.453
   45   1HG1  VAL   6          HG11      VAL   6 194.997  -2.097  13.048
   46   2HG1  VAL   6          HG12      VAL   6 195.899  -0.716  13.676
   47   3HG1  VAL   6          HG13      VAL   6 196.761  -2.143  13.099
   48   1HG2  VAL   6          HG21      VAL   6 198.039  -0.619  11.928
   49   2HG2  VAL   6          HG22      VAL   6 197.139   0.868  11.626
   50   3HG2  VAL   6          HG23      VAL   6 197.535  -0.210  10.289
   51    H    TYR   7           HN       TYR   7 196.030  -0.020   8.898
   52    HA   TYR   7           HA       TYR   7 193.352   0.301   8.069
   53   1HB   TYR   7          HB2       TYR   7 195.163   2.043   7.827
   54   2HB   TYR   7          HB1       TYR   7 195.799   1.105   6.479
   55    HD1  TYR   7           HD1      TYR   7 195.109   1.657   4.336
   56    HD2  TYR   7           HD2      TYR   7 192.587   2.623   7.629
   57    HE1  TYR   7           HE1      TYR   7 193.556   2.798   2.810
   58    HE2  TYR   7           HE2      TYR   7 191.030   3.763   6.110
   59    HH   TYR   7           HH       TYR   7 190.911   3.342   2.940
   60    H    LYS   8           HN       LYS   8 196.133  -1.257   6.514
   61    HA   LYS   8           HA       LYS   8 194.567  -2.295   4.347
   62   1HB   LYS   8          HB2       LYS   8 197.137  -1.764   4.450
   63   2HB   LYS   8          HB1       LYS   8 197.254  -3.387   5.115
   64   1HG   LYS   8          HG2       LYS   8 195.709  -3.032   2.608
   65   2HG   LYS   8          HG1       LYS   8 197.468  -2.921   2.529
   66   1HD   LYS   8          HD2       LYS   8 197.608  -5.121   3.668
   67   2HD   LYS   8          HD1       LYS   8 195.849  -5.231   3.601
   68   1HE   LYS   8          HE2       LYS   8 195.859  -5.317   1.230
   69   2HE   LYS   8          HE1       LYS   8 197.559  -4.863   1.153
   70   1HZ   LYS   8          HZ1       LYS   8 196.682  -7.375   0.998
   71   2HZ   LYS   8          HZ2       LYS   8 196.987  -7.272   2.659
   72   3HZ   LYS   8          HZ3       LYS   8 198.225  -6.955   1.550
   73    H    GLU   9           HN       GLU   9 195.577  -3.370   7.501
   74    HA   GLU   9           HA       GLU   9 194.954  -6.123   7.114
   75   1HB   GLU   9          HB2       GLU   9 196.427  -4.809   8.939
   76   2HB   GLU   9          HB1       GLU   9 194.939  -5.011   9.850
   77   1HG   GLU   9          HG2       GLU   9 196.479  -7.238   8.542
   78   2HG   GLU   9          HG1       GLU   9 196.570  -6.805  10.248
   79    H    GLU  10           HN       GLU  10 193.260  -3.303   8.257
   80    HA   GLU  10           HA       GLU  10 191.001  -4.754   9.277
   81   1HB   GLU  10          HB2       GLU  10 191.539  -1.831   8.766
   82   2HB   GLU  10          HB1       GLU  10 189.975  -2.411   9.322
   83   1HG   GLU  10          HG2       GLU  10 192.188  -3.424  10.913
   84   2HG   GLU  10          HG1       GLU  10 192.084  -1.664  10.908
   85    H    HIS  11           HN       HIS  11 191.456  -2.525   6.525
   86    HA   HIS  11           HA       HIS  11 188.973  -2.830   5.335
   87   1HB   HIS  11          HB2       HIS  11 191.698  -2.248   4.206
   88   2HB   HIS  11          HB1       HIS  11 190.291  -2.366   3.155
   89    HD1  HIS  11           HD1      HIS  11 190.283  -0.748   6.568
   90    HD2  HIS  11           HD2      HIS  11 190.042   0.305   2.556
   91    HE1  HIS  11           HE1      HIS  11 189.700   1.698   6.549
   92    HE2  HIS  11           HE2      HIS  11 189.642   2.332   4.111
   93    HA   PRO  12           HA       PRO  12 189.030  -7.339   4.680
   94   1HB   PRO  12          HB2       PRO  12 186.879  -6.628   2.811
   95   2HB   PRO  12          HB1       PRO  12 186.860  -7.742   4.175
   96   1HG   PRO  12          HG2       PRO  12 185.801  -5.129   4.101
   97   2HG   PRO  12          HG1       PRO  12 185.966  -6.172   5.519
   98   1HD   PRO  12          HD2       PRO  12 187.355  -3.763   4.988
   99   2HD   PRO  12          HD1       PRO  12 187.650  -4.904   6.310
  100    H    PHE  13           HN       PHE  13 188.916  -8.698   2.646
  101    HA   PHE  13           HA       PHE  13 190.905  -7.815   0.840
  102   1HB   PHE  13          HB2       PHE  13 190.249 -10.238   1.534
  103   2HB   PHE  13          HB1       PHE  13 189.073 -10.112   0.229
  104    HD1  PHE  13           HD1      PHE  13 190.234  -8.989  -1.995
  105    HD2  PHE  13           HD2      PHE  13 192.168 -11.339   0.985
  106    HE1  PHE  13           HE1      PHE  13 191.974  -9.606  -3.614
  107    HE2  PHE  13           HE2      PHE  13 193.913 -11.960  -0.634
  108    HZ   PHE  13           HZ       PHE  13 193.820 -11.093  -2.937
  109    H    GLU  14           HN       GLU  14 187.423  -8.423   0.414
  110    HA   GLU  14           HA       GLU  14 187.173  -7.729  -2.241
  111   1HB   GLU  14          HB2       GLU  14 185.391  -7.900   0.067
  112   2HB   GLU  14          HB1       GLU  14 184.864  -6.709  -1.113
  113   1HG   GLU  14          HG2       GLU  14 184.023  -8.315  -2.368
  114   2HG   GLU  14          HG1       GLU  14 185.623  -9.039  -2.527
  115    H    LYS  15           HN       LYS  15 187.708  -5.695   0.506
  116    HA   LYS  15           HA       LYS  15 186.971  -3.241  -0.779
  117   1HB   LYS  15          HB2       LYS  15 188.736  -3.568   1.646
  118   2HB   LYS  15          HB1       LYS  15 187.772  -2.167   1.199
  119   1HG   LYS  15          HG2       LYS  15 186.303  -4.694   1.579
  120   2HG   LYS  15          HG1       LYS  15 187.006  -3.959   3.017
  121   1HD   LYS  15          HD2       LYS  15 185.923  -1.792   2.225
  122   2HD   LYS  15          HD1       LYS  15 184.990  -2.809   1.122
  123   1HE   LYS  15          HE2       LYS  15 185.108  -3.260   4.095
  124   2HE   LYS  15          HE1       LYS  15 183.879  -2.261   3.320
  125   1HZ   LYS  15          HZ1       LYS  15 182.831  -4.053   2.470
  126   2HZ   LYS  15          HZ2       LYS  15 183.560  -4.846   3.774
  127   3HZ   LYS  15          HZ3       LYS  15 184.254  -4.936   2.234
  128    H    ARG  16           HN       ARG  16 190.059  -4.772   0.111
  129    HA   ARG  16           HA       ARG  16 191.707  -2.823  -1.093
  130   1HB   ARG  16          HB2       ARG  16 192.337  -5.752  -0.680
  131   2HB   ARG  16          HB1       ARG  16 193.497  -4.446  -0.883
  132   1HG   ARG  16          HG2       ARG  16 192.966  -3.526   1.236
  133   2HG   ARG  16          HG1       ARG  16 191.557  -4.574   1.410
  134   1HD   ARG  16          HD2       ARG  16 193.882  -6.178   0.953
  135   2HD   ARG  16          HD1       ARG  16 194.204  -5.049   2.268
  136    HE   ARG  16           HE       ARG  16 191.721  -6.151   2.774
  137   1HH1  ARG  16          HH11      ARG  16 195.002  -7.291   2.441
  138   2HH1  ARG  16          HH12      ARG  16 194.781  -8.624   3.524
  139   1HH2  ARG  16          HH21      ARG  16 191.428  -7.904   4.199
  140   2HH2  ARG  16          HH22      ARG  16 192.752  -8.972   4.522
  141    H    ARG  17           HN       ARG  17 190.121  -5.707  -2.278
  142    HA   ARG  17           HA       ARG  17 191.441  -5.739  -4.817
  143   1HB   ARG  17          HB2       ARG  17 190.441  -7.759  -3.777
  144   2HB   ARG  17          HB1       ARG  17 188.846  -7.051  -3.989
  145   1HG   ARG  17          HG2       ARG  17 189.104  -7.098  -6.392
  146   2HG   ARG  17          HG1       ARG  17 190.752  -7.706  -6.225
  147   1HD   ARG  17          HD2       ARG  17 189.942  -9.742  -5.216
  148   2HD   ARG  17          HD1       ARG  17 188.289  -9.127  -5.225
  149    HE   ARG  17           HE       ARG  17 188.987  -9.040  -7.833
  150   1HH1  ARG  17          HH11      ARG  17 189.126 -11.556  -5.420
  151   2HH1  ARG  17          HH12      ARG  17 188.908 -12.839  -6.563
  152   1HH2  ARG  17          HH21      ARG  17 188.699 -10.725  -9.339
  153   2HH2  ARG  17          HH22      ARG  17 188.666 -12.367  -8.787
  154    H    SER  18           HN       SER  18 188.156  -4.848  -3.763
  155    HA   SER  18           HA       SER  18 187.084  -4.014  -6.129
  156   1HB   SER  18          HB2       SER  18 185.661  -4.044  -4.238
  157   2HB   SER  18          HB1       SER  18 186.712  -2.957  -3.331
  158    HG   SER  18           HG       SER  18 185.702  -1.335  -4.189
  159    H    GLU  19           HN       GLU  19 188.627  -1.816  -3.780
  160    HA   GLU  19           HA       GLU  19 188.706   0.450  -5.358
  161   1HB   GLU  19          HB2       GLU  19 189.749  -0.374  -2.868
  162   2HB   GLU  19          HB1       GLU  19 191.085   0.323  -3.771
  163   1HG   GLU  19          HG2       GLU  19 190.073   2.398  -3.913
  164   2HG   GLU  19          HG1       GLU  19 188.469   1.746  -3.577
  165    H    GLY  20           HN       GLY  20 191.277  -1.980  -4.937
  166   1HA   GLY  20          HA2       GLY  20 193.113  -0.855  -6.720
  167   2HA   GLY  20          HA1       GLY  20 193.047  -2.554  -6.280
  168    H    GLU  21           HN       GLU  21 190.468  -3.123  -7.310
  169    HA   GLU  21           HA       GLU  21 191.115  -3.722  -9.964
  170   1HB   GLU  21          HB2       GLU  21 189.600  -5.127  -8.825
  171   2HB   GLU  21          HB1       GLU  21 188.526  -3.791  -8.437
  172   1HG   GLU  21          HG2       GLU  21 187.670  -3.691 -10.564
  173   2HG   GLU  21          HG1       GLU  21 189.072  -4.483 -11.276
  174    H    LYS  22           HN       LYS  22 189.866  -0.862  -8.563
  175    HA   LYS  22           HA       LYS  22 188.773   0.064 -11.111
  176   1HB   LYS  22          HB2       LYS  22 187.251   0.698  -9.509
  177   2HB   LYS  22          HB1       LYS  22 188.475   0.895  -8.265
  178   1HG   LYS  22          HG2       LYS  22 188.498   2.812 -10.527
  179   2HG   LYS  22          HG1       LYS  22 187.196   2.949  -9.343
  180   1HD   LYS  22          HD2       LYS  22 189.466   2.620  -7.791
  181   2HD   LYS  22          HD1       LYS  22 190.009   3.655  -9.113
  182   1HE   LYS  22          HE2       LYS  22 187.413   4.442  -8.059
  183   2HE   LYS  22          HE1       LYS  22 188.682   4.473  -6.836
  184   1HZ   LYS  22          HZ1       LYS  22 190.015   5.824  -8.409
  185   2HZ   LYS  22          HZ2       LYS  22 188.600   6.591  -7.890
  186   3HZ   LYS  22          HZ3       LYS  22 188.672   5.906  -9.435
  187    H    ILE  23           HN       ILE  23 191.103   1.026  -8.627
  188    HA   ILE  23           HA       ILE  23 192.196   3.248  -9.924
  189    HB   ILE  23           HB       ILE  23 193.300   1.306  -7.911
  190   1HG1  ILE  23          HG12      ILE  23 192.723   4.225  -7.522
  191   2HG1  ILE  23          HG11      ILE  23 191.425   3.035  -7.463
  192   1HG2  ILE  23          HG21      ILE  23 195.270   2.504  -7.639
  193   2HG2  ILE  23          HG22      ILE  23 194.666   3.891  -8.538
  194   3HG2  ILE  23          HG23      ILE  23 195.098   2.410  -9.389
  195   1HD1  ILE  23          HD11      ILE  23 193.257   3.787  -5.432
  196   2HD1  ILE  23          HD12      ILE  23 193.505   2.084  -5.818
  197   3HD1  ILE  23          HD13      ILE  23 191.905   2.658  -5.347
  198    H    ARG  24           HN       ARG  24 192.594  -0.149 -10.454
  199    HA   ARG  24           HA       ARG  24 195.017   0.095 -11.997
  200   1HB   ARG  24          HB2       ARG  24 193.097  -2.189 -11.525
  201   2HB   ARG  24          HB1       ARG  24 194.543  -2.329 -12.517
  202   1HG   ARG  24          HG2       ARG  24 194.640  -1.435  -9.654
  203   2HG   ARG  24          HG1       ARG  24 194.710  -3.135 -10.123
  204   1HD   ARG  24          HD2       ARG  24 196.590  -1.031 -11.172
  205   2HD   ARG  24          HD1       ARG  24 196.929  -2.022  -9.757
  206    HE   ARG  24           HE       ARG  24 197.209  -3.877 -11.135
  207   1HH1  ARG  24          HH11      ARG  24 196.230  -1.090 -13.002
  208   2HH1  ARG  24          HH12      ARG  24 196.662  -1.803 -14.518
  209   1HH2  ARG  24          HH21      ARG  24 197.774  -4.809 -13.130
  210   2HH2  ARG  24          HH22      ARG  24 197.536  -3.912 -14.592
  211    H    LYS  25           HN       LYS  25 191.591  -0.546 -12.624
  212    HA   LYS  25           HA       LYS  25 191.820  -0.717 -15.441
  213   1HB   LYS  25          HB2       LYS  25 189.483  -0.060 -13.652
  214   2HB   LYS  25          HB1       LYS  25 189.351  -0.434 -15.370
  215   1HG   LYS  25          HG2       LYS  25 190.184  -2.661 -14.994
  216   2HG   LYS  25          HG1       LYS  25 190.495  -2.291 -13.295
  217   1HD   LYS  25          HD2       LYS  25 188.450  -3.533 -13.422
  218   2HD   LYS  25          HD1       LYS  25 188.045  -1.861 -13.027
  219   1HE   LYS  25          HE2       LYS  25 186.579  -2.011 -14.711
  220   2HE   LYS  25          HE1       LYS  25 187.986  -1.839 -15.760
  221   1HZ   LYS  25          HZ1       LYS  25 187.202  -3.751 -16.614
  222   2HZ   LYS  25          HZ2       LYS  25 186.358  -4.179 -15.213
  223   3HZ   LYS  25          HZ3       LYS  25 188.022  -4.458 -15.314
  224    H    LYS  26           HN       LYS  26 191.104   1.893 -13.199
  225    HA   LYS  26           HA       LYS  26 190.564   3.809 -15.244
  226   1HB   LYS  26          HB2       LYS  26 189.857   3.679 -12.680
  227   2HB   LYS  26          HB1       LYS  26 191.287   4.689 -12.513
  228   1HG   LYS  26          HG2       LYS  26 190.385   6.363 -13.905
  229   2HG   LYS  26          HG1       LYS  26 189.084   5.299 -14.453
  230   1HD   LYS  26          HD2       LYS  26 187.815   5.724 -12.654
  231   2HD   LYS  26          HD1       LYS  26 189.192   5.671 -11.553
  232   1HE   LYS  26          HE2       LYS  26 189.469   7.897 -11.602
  233   2HE   LYS  26          HE1       LYS  26 189.182   7.988 -13.340
  234   1HZ   LYS  26          HZ1       LYS  26 187.289   8.219 -11.127
  235   2HZ   LYS  26          HZ2       LYS  26 186.734   7.485 -12.546
  236   3HZ   LYS  26          HZ3       LYS  26 187.346   9.061 -12.594
  237    H    TYR  27           HN       TYR  27 193.265   2.987 -13.158
  238    HA   TYR  27           HA       TYR  27 194.974   4.739 -14.798
  239   1HB   TYR  27          HB2       TYR  27 195.841   4.176 -12.018
  240   2HB   TYR  27          HB1       TYR  27 196.035   5.634 -12.983
  241    HD1  TYR  27           HD1      TYR  27 194.852   4.771 -10.028
  242    HD2  TYR  27           HD2      TYR  27 193.311   6.399 -13.640
  243    HE1  TYR  27           HE1      TYR  27 193.026   5.825  -8.763
  244    HE2  TYR  27           HE2      TYR  27 191.481   7.461 -12.388
  245    HH   TYR  27           HH       TYR  27 190.281   6.914 -10.064
  246    HA   PRO  28           HA       PRO  28 196.676   0.531 -15.245
  247   1HB   PRO  28          HB2       PRO  28 197.649   1.483 -17.816
  248   2HB   PRO  28          HB1       PRO  28 196.472   0.214 -17.476
  249   1HG   PRO  28          HG2       PRO  28 195.798   2.581 -18.624
  250   2HG   PRO  28          HG1       PRO  28 194.688   1.654 -17.600
  251   1HD   PRO  28          HD2       PRO  28 196.357   4.043 -16.905
  252   2HD   PRO  28          HD1       PRO  28 194.673   3.678 -16.467
  253    H    ASP  29           HN       ASP  29 198.128   3.664 -15.382
  254    HA   ASP  29           HA       ASP  29 200.830   2.558 -15.453
  255   1HB   ASP  29          HB2       ASP  29 199.867   5.425 -15.433
  256   2HB   ASP  29          HB1       ASP  29 201.551   4.925 -15.560
  257    H    ARG  30           HN       ARG  30 198.513   3.673 -13.181
  258    HA   ARG  30           HA       ARG  30 200.533   4.205 -11.135
  259   1HB   ARG  30          HB2       ARG  30 197.524   4.465 -11.124
  260   2HB   ARG  30          HB1       ARG  30 198.541   4.805  -9.733
  261   1HG   ARG  30          HG2       ARG  30 199.572   6.264 -11.927
  262   2HG   ARG  30          HG1       ARG  30 197.826   6.512 -11.880
  263   1HD   ARG  30          HD2       ARG  30 198.043   7.036  -9.454
  264   2HD   ARG  30          HD1       ARG  30 199.795   6.973  -9.651
  265    HE   ARG  30           HE       ARG  30 198.070   9.123 -10.360
  266   1HH1  ARG  30          HH11      ARG  30 201.004   7.487 -11.312
  267   2HH1  ARG  30          HH12      ARG  30 201.673   8.879 -12.094
  268   1HH2  ARG  30          HH21      ARG  30 198.952  10.955 -11.387
  269   2HH2  ARG  30          HH22      ARG  30 200.510  10.848 -12.135
  270    H    VAL  31           HN       VAL  31 200.358   3.192  -9.021
  271    HA   VAL  31           HA       VAL  31 199.045   0.567  -9.052
  272    HB   VAL  31           HB       VAL  31 200.920  -0.490  -7.938
  273   1HG1  VAL  31          HG11      VAL  31 201.904  -1.009  -9.871
  274   2HG1  VAL  31          HG12      VAL  31 202.424   0.652 -10.161
  275   3HG1  VAL  31          HG13      VAL  31 200.787   0.152 -10.590
  276   1HG2  VAL  31          HG21      VAL  31 202.356   0.751  -6.783
  277   2HG2  VAL  31          HG22      VAL  31 201.839   2.228  -7.605
  278   3HG2  VAL  31          HG23      VAL  31 203.091   1.213  -8.321
  279    HA   PRO  32           HA       PRO  32 197.450   2.435  -5.271
  280   1HB   PRO  32          HB2       PRO  32 195.963   0.234  -4.549
  281   2HB   PRO  32          HB1       PRO  32 195.406   1.487  -5.664
  282   1HG   PRO  32          HG2       PRO  32 196.573  -1.198  -6.259
  283   2HG   PRO  32          HG1       PRO  32 195.227  -0.363  -7.052
  284   1HD   PRO  32          HD2       PRO  32 197.683  -0.466  -8.141
  285   2HD   PRO  32          HD1       PRO  32 196.639   0.957  -8.324
  286    H    VAL  33           HN       VAL  33 198.985   2.547  -3.730
  287    HA   VAL  33           HA       VAL  33 200.048   0.028  -2.657
  288    HB   VAL  33           HB       VAL  33 201.267   2.788  -2.659
  289   1HG1  VAL  33          HG11      VAL  33 203.247   1.746  -1.659
  290   2HG1  VAL  33          HG12      VAL  33 202.367   0.231  -1.501
  291   3HG1  VAL  33          HG13      VAL  33 201.844   1.649  -0.595
  292   1HG2  VAL  33          HG21      VAL  33 201.316   1.600  -4.816
  293   2HG2  VAL  33          HG22      VAL  33 202.148   0.246  -4.043
  294   3HG2  VAL  33          HG23      VAL  33 202.928   1.828  -4.141
  295    H    ILE  34           HN       ILE  34 200.243  -0.292  -0.458
  296    HA   ILE  34           HA       ILE  34 198.772   1.589   1.261
  297    HB   ILE  34           HB       ILE  34 198.895  -1.383   1.795
  298   1HG1  ILE  34          HG12      ILE  34 197.748  -1.062  -0.341
  299   2HG1  ILE  34          HG11      ILE  34 196.568  -1.449   0.911
  300   1HG2  ILE  34          HG21      ILE  34 196.739  -0.614   3.049
  301   2HG2  ILE  34          HG22      ILE  34 197.476   0.980   2.939
  302   3HG2  ILE  34          HG23      ILE  34 198.326  -0.327   3.768
  303   1HD1  ILE  34          HD11      ILE  34 197.138   1.409   0.325
  304   2HD1  ILE  34          HD12      ILE  34 195.650   0.642   0.886
  305   3HD1  ILE  34          HD13      ILE  34 196.144   0.485  -0.801
  306    H    VAL  35           HN       VAL  35 200.934   2.516   1.474
  307    HA   VAL  35           HA       VAL  35 203.090   1.180   2.669
  308    HB   VAL  35           HB       VAL  35 202.417   4.111   2.921
  309   1HG1  VAL  35          HG11      VAL  35 204.143   3.856   4.398
  310   2HG1  VAL  35          HG12      VAL  35 205.050   4.111   2.905
  311   3HG1  VAL  35          HG13      VAL  35 204.826   2.476   3.532
  312   1HG2  VAL  35          HG21      VAL  35 204.025   2.672   0.815
  313   2HG2  VAL  35          HG22      VAL  35 203.835   4.420   0.951
  314   3HG2  VAL  35          HG23      VAL  35 202.439   3.406   0.586
  315    H    GLU  36           HN       GLU  36 203.894   1.269   4.828
  316    HA   GLU  36           HA       GLU  36 202.005   2.006   6.933
  317   1HB   GLU  36          HB2       GLU  36 202.300  -0.641   6.032
  318   2HB   GLU  36          HB1       GLU  36 203.173  -0.562   7.554
  319   1HG   GLU  36          HG2       GLU  36 200.800   0.784   8.049
  320   2HG   GLU  36          HG1       GLU  36 200.335  -0.585   7.044
  321    H    LYS  37           HN       LYS  37 202.993   2.029   9.080
  322    HA   LYS  37           HA       LYS  37 205.869   2.584   8.902
  323   1HB   LYS  37          HB2       LYS  37 204.122   4.286   9.814
  324   2HB   LYS  37          HB1       LYS  37 204.137   3.286  11.260
  325   1HG   LYS  37          HG2       LYS  37 206.832   3.803  10.572
  326   2HG   LYS  37          HG1       LYS  37 205.955   5.331  10.480
  327   1HD   LYS  37          HD2       LYS  37 206.762   5.099  12.713
  328   2HD   LYS  37          HD1       LYS  37 205.018   4.832  12.747
  329   1HE   LYS  37          HE2       LYS  37 205.232   2.577  13.139
  330   2HE   LYS  37          HE1       LYS  37 206.838   2.503  12.415
  331   1HZ   LYS  37          HZ1       LYS  37 207.376   2.350  14.606
  332   2HZ   LYS  37          HZ2       LYS  37 206.058   3.273  15.128
  333   3HZ   LYS  37          HZ3       LYS  37 207.407   4.035  14.450
  334    H    ALA  38           HN       ALA  38 206.642   0.520   9.034
  335    HA   ALA  38           HA       ALA  38 206.057  -1.674  10.390
  336   1HB   ALA  38          HB1       ALA  38 208.113  -1.274   9.045
  337   2HB   ALA  38          HB2       ALA  38 208.369  -2.236  10.501
  338   3HB   ALA  38          HB3       ALA  38 208.838  -0.533  10.476
  339    HA   PRO  39           HA       PRO  39 205.761  -1.120  14.751
  340   1HB   PRO  39          HB2       PRO  39 206.793  -3.546  15.545
  341   2HB   PRO  39          HB1       PRO  39 205.129  -3.300  14.994
  342   1HG   PRO  39          HG2       PRO  39 207.501  -4.305  13.490
  343   2HG   PRO  39          HG1       PRO  39 205.827  -4.878  13.448
  344   1HD   PRO  39          HD2       PRO  39 206.835  -3.343  11.510
  345   2HD   PRO  39          HD1       PRO  39 205.151  -3.167  12.048
  346    H    LYS  40           HN       LYS  40 207.025  -0.551  16.496
  347    HA   LYS  40           HA       LYS  40 208.858   0.057  17.680
  348   1HB   LYS  40          HB2       LYS  40 210.110  -2.146  16.049
  349   2HB   LYS  40          HB1       LYS  40 210.970  -1.276  17.312
  350   1HG   LYS  40          HG2       LYS  40 210.210  -3.206  18.363
  351   2HG   LYS  40          HG1       LYS  40 209.050  -1.967  18.847
  352   1HD   LYS  40          HD2       LYS  40 207.427  -2.761  17.306
  353   2HD   LYS  40          HD1       LYS  40 208.599  -3.810  16.506
  354   1HE   LYS  40          HE2       LYS  40 208.690  -5.277  18.357
  355   2HE   LYS  40          HE1       LYS  40 207.848  -4.132  19.399
  356   1HZ   LYS  40          HZ1       LYS  40 206.234  -5.680  18.835
  357   2HZ   LYS  40          HZ2       LYS  40 206.745  -5.797  17.226
  358   3HZ   LYS  40          HZ3       LYS  40 205.932  -4.412  17.756
  359    H    ALA  41           HN       ALA  41 208.697   0.553  14.341
  360    HA   ALA  41           HA       ALA  41 211.133   1.585  13.624
  361   1HB   ALA  41          HB1       ALA  41 210.073   2.673  11.869
  362   2HB   ALA  41          HB2       ALA  41 208.607   2.962  12.802
  363   3HB   ALA  41          HB3       ALA  41 208.981   1.332  12.225
  364    H    ARG  42           HN       ARG  42 212.194   3.454  13.988
  365    HA   ARG  42           HA       ARG  42 211.263   5.103  16.192
  366   1HB   ARG  42          HB2       ARG  42 213.915   5.367  14.787
  367   2HB   ARG  42          HB1       ARG  42 213.496   5.872  16.418
  368   1HG   ARG  42          HG2       ARG  42 213.747   3.784  17.283
  369   2HG   ARG  42          HG1       ARG  42 213.288   2.984  15.778
  370   1HD   ARG  42          HD2       ARG  42 215.401   2.956  14.999
  371   2HD   ARG  42          HD1       ARG  42 215.771   4.552  15.652
  372    HE   ARG  42           HE       ARG  42 216.247   2.007  16.905
  373   1HH1  ARG  42          HH11      ARG  42 215.771   5.422  17.446
  374   2HH1  ARG  42          HH12      ARG  42 216.598   5.424  18.967
  375   1HH2  ARG  42          HH21      ARG  42 217.334   2.007  18.906
  376   2HH2  ARG  42          HH22      ARG  42 217.487   3.485  19.796
  377    H    ILE  43           HN       ILE  43 209.912   5.318  13.784
  378    HA   ILE  43           HA       ILE  43 210.522   8.088  12.982
  379    HB   ILE  43           HB       ILE  43 209.287   7.297  10.818
  380   1HG1  ILE  43          HG12      ILE  43 210.470   4.721  11.865
  381   2HG1  ILE  43          HG11      ILE  43 208.752   5.062  11.680
  382   1HG2  ILE  43          HG21      ILE  43 211.614   6.433   9.999
  383   2HG2  ILE  43          HG22      ILE  43 212.141   6.955  11.599
  384   3HG2  ILE  43          HG23      ILE  43 211.411   8.115  10.489
  385   1HD1  ILE  43          HD11      ILE  43 208.951   4.070   9.715
  386   2HD1  ILE  43          HD12      ILE  43 210.710   4.204   9.722
  387   3HD1  ILE  43          HD13      ILE  43 209.727   5.564   9.185
  388    H    GLY  44           HN       GLY  44 208.579   9.124  11.929
  389   1HA   GLY  44          HA2       GLY  44 206.418   9.083  13.798
  390   2HA   GLY  44          HA1       GLY  44 206.515  10.062  12.342
  391    H    ASP  45           HN       ASP  45 204.413   8.235  13.656
  392    HA   ASP  45           HA       ASP  45 203.953   6.131  11.785
  393   1HB   ASP  45          HB2       ASP  45 201.833   5.829  12.935
  394   2HB   ASP  45          HB1       ASP  45 203.117   6.078  14.114
  395    H    LEU  46           HN       LEU  46 202.867   6.128   9.922
  396    HA   LEU  46           HA       LEU  46 201.909   8.665   8.889
  397   1HB   LEU  46          HB2       LEU  46 203.031   6.266   7.791
  398   2HB   LEU  46          HB1       LEU  46 201.493   6.591   7.013
  399    HG   LEU  46           HG       LEU  46 203.405   8.849   7.271
  400   1HD1  LEU  46          HD11      LEU  46 204.325   8.042   4.995
  401   2HD1  LEU  46          HD12      LEU  46 203.807   6.446   5.536
  402   3HD1  LEU  46          HD13      LEU  46 204.989   7.356   6.477
  403   1HD2  LEU  46          HD21      LEU  46 202.460   9.197   4.917
  404   2HD2  LEU  46          HD22      LEU  46 201.366   9.420   6.280
  405   3HD2  LEU  46          HD23      LEU  46 201.305   7.931   5.333
  406    H    ASP  47           HN       ASP  47 199.844   9.135   8.317
  407    HA   ASP  47           HA       ASP  47 197.778   7.308   9.302
  408   1HB   ASP  47          HB2       ASP  47 197.482   9.377  10.302
  409   2HB   ASP  47          HB1       ASP  47 197.862  10.266   8.834
  410    H    LYS  48           HN       LYS  48 199.134   8.602   6.437
  411    HA   LYS  48           HA       LYS  48 196.813   7.889   4.805
  412   1HB   LYS  48          HB2       LYS  48 197.805  10.030   4.298
  413   2HB   LYS  48          HB1       LYS  48 199.403   9.312   4.166
  414   1HG   LYS  48          HG2       LYS  48 198.021   7.902   2.292
  415   2HG   LYS  48          HG1       LYS  48 197.240   9.482   2.202
  416   1HD   LYS  48          HD2       LYS  48 199.530  10.498   2.020
  417   2HD   LYS  48          HD1       LYS  48 200.173   8.862   1.874
  418   1HE   LYS  48          HE2       LYS  48 199.935   9.381  -0.337
  419   2HE   LYS  48          HE1       LYS  48 198.345   8.687  -0.021
  420   1HZ   LYS  48          HZ1       LYS  48 198.380  10.861  -1.253
  421   2HZ   LYS  48          HZ2       LYS  48 198.885  11.592   0.187
  422   3HZ   LYS  48          HZ3       LYS  48 197.384  10.815   0.113
  423    H    LYS  49           HN       LYS  49 197.177   5.592   5.381
  424    HA   LYS  49           HA       LYS  49 199.471   4.161   4.680
  425   1HB   LYS  49          HB2       LYS  49 196.640   3.484   5.248
  426   2HB   LYS  49          HB1       LYS  49 197.566   2.272   4.377
  427   1HG   LYS  49          HG2       LYS  49 199.147   3.198   6.542
  428   2HG   LYS  49          HG1       LYS  49 197.535   2.815   7.150
  429   1HD   LYS  49          HD2       LYS  49 198.062   0.709   5.466
  430   2HD   LYS  49          HD1       LYS  49 199.642   1.045   6.173
  431   1HE   LYS  49          HE2       LYS  49 197.081   0.351   7.579
  432   2HE   LYS  49          HE1       LYS  49 198.599  -0.537   7.590
  433   1HZ   LYS  49          HZ1       LYS  49 197.747   1.536   9.314
  434   2HZ   LYS  49          HZ2       LYS  49 199.176   1.998   8.537
  435   3HZ   LYS  49          HZ3       LYS  49 199.126   0.561   9.423
  436    H    LYS  50           HN       LYS  50 196.644   5.042   2.761
  437    HA   LYS  50           HA       LYS  50 197.326   3.437   0.515
  438   1HB   LYS  50          HB2       LYS  50 195.058   4.575   1.190
  439   2HB   LYS  50          HB1       LYS  50 195.681   5.920   0.246
  440   1HG   LYS  50          HG2       LYS  50 194.653   4.879  -1.451
  441   2HG   LYS  50          HG1       LYS  50 196.108   3.880  -1.470
  442   1HD   LYS  50          HD2       LYS  50 194.608   2.195  -1.333
  443   2HD   LYS  50          HD1       LYS  50 194.676   2.570   0.389
  444   1HE   LYS  50          HE2       LYS  50 192.367   2.344  -0.556
  445   2HE   LYS  50          HE1       LYS  50 192.689   3.868   0.270
  446   1HZ   LYS  50          HZ1       LYS  50 193.198   3.827  -2.594
  447   2HZ   LYS  50          HZ2       LYS  50 192.512   5.038  -1.633
  448   3HZ   LYS  50          HZ3       LYS  50 191.574   3.720  -2.130
  449    H    TYR  51           HN       TYR  51 198.142   4.051  -1.500
  450    HA   TYR  51           HA       TYR  51 199.292   6.674  -1.876
  451   1HB   TYR  51          HB2       TYR  51 200.978   4.245  -1.358
  452   2HB   TYR  51          HB1       TYR  51 201.570   5.531  -2.404
  453    HD1  TYR  51           HD1      TYR  51 200.744   4.571   1.007
  454    HD2  TYR  51           HD2      TYR  51 202.087   7.735  -1.492
  455    HE1  TYR  51           HE1      TYR  51 201.488   5.819   2.997
  456    HE2  TYR  51           HE2      TYR  51 202.837   8.992   0.484
  457    HH   TYR  51           HH       TYR  51 202.960   7.568   3.629
  458    H    LEU  52           HN       LEU  52 198.701   7.125  -3.894
  459    HA   LEU  52           HA       LEU  52 198.519   4.952  -5.846
  460   1HB   LEU  52          HB2       LEU  52 196.803   6.985  -5.339
  461   2HB   LEU  52          HB1       LEU  52 197.758   7.708  -6.620
  462    HG   LEU  52           HG       LEU  52 197.181   5.909  -8.136
  463   1HD1  LEU  52          HD11      LEU  52 196.650   3.898  -7.375
  464   2HD1  LEU  52          HD12      LEU  52 195.142   4.544  -6.728
  465   3HD1  LEU  52          HD13      LEU  52 196.590   4.514  -5.724
  466   1HD2  LEU  52          HD21      LEU  52 195.139   6.730  -8.638
  467   2HD2  LEU  52          HD22      LEU  52 195.520   7.878  -7.354
  468   3HD2  LEU  52          HD23      LEU  52 194.514   6.471  -7.009
  469    H    VAL  53           HN       VAL  53 200.876   4.822  -5.861
  470    HA   VAL  53           HA       VAL  53 202.248   7.005  -7.223
  471    HB   VAL  53           HB       VAL  53 204.187   5.156  -6.978
  472   1HG1  VAL  53          HG11      VAL  53 204.366   6.308  -4.541
  473   2HG1  VAL  53          HG12      VAL  53 203.225   7.393  -5.332
  474   3HG1  VAL  53          HG13      VAL  53 204.811   7.106  -6.047
  475   1HG2  VAL  53          HG21      VAL  53 204.013   3.942  -4.918
  476   2HG2  VAL  53          HG22      VAL  53 202.618   3.541  -5.921
  477   3HG2  VAL  53          HG23      VAL  53 202.441   4.663  -4.571
  478    HA   PRO  54           HA       PRO  54 202.127   5.382 -11.302
  479   1HB   PRO  54          HB2       PRO  54 205.063   5.844 -11.393
  480   2HB   PRO  54          HB1       PRO  54 203.798   6.430 -12.477
  481   1HG   PRO  54          HG2       PRO  54 204.950   8.062 -10.710
  482   2HG   PRO  54          HG1       PRO  54 203.217   8.176 -11.071
  483   1HD   PRO  54          HD2       PRO  54 204.588   7.004  -8.692
  484   2HD   PRO  54          HD1       PRO  54 203.060   7.903  -8.787
  485    H    SER  55           HN       SER  55 203.762   3.960 -12.749
  486    HA   SER  55           HA       SER  55 204.292   1.554 -11.145
  487   1HB   SER  55          HB2       SER  55 203.846   0.237 -13.093
  488   2HB   SER  55          HB1       SER  55 202.554   1.433 -12.988
  489    HG   SER  55           HG       SER  55 204.749   1.339 -14.752
  490    H    ASP  56           HN       ASP  56 205.750   3.973 -13.087
  491    HA   ASP  56           HA       ASP  56 208.149   2.376 -13.554
  492   1HB   ASP  56          HB2       ASP  56 207.183   5.052 -14.524
  493   2HB   ASP  56          HB1       ASP  56 208.890   4.635 -14.631
  494    H    LEU  57           HN       LEU  57 206.817   4.341 -11.208
  495    HA   LEU  57           HA       LEU  57 208.961   5.879 -10.320
  496   1HB   LEU  57          HB2       LEU  57 206.626   6.116  -9.543
  497   2HB   LEU  57          HB1       LEU  57 206.787   4.607  -8.662
  498    HG   LEU  57           HG       LEU  57 208.869   5.950  -7.618
  499   1HD1  LEU  57          HD11      LEU  57 208.402   8.245  -7.307
  500   2HD1  LEU  57          HD12      LEU  57 206.802   8.091  -8.033
  501   3HD1  LEU  57          HD13      LEU  57 208.244   7.933  -9.036
  502   1HD2  LEU  57          HD21      LEU  57 206.080   5.491  -6.852
  503   2HD2  LEU  57          HD22      LEU  57 206.875   6.796  -5.973
  504   3HD2  LEU  57          HD23      LEU  57 207.571   5.175  -5.965
  505    H    THR  58           HN       THR  58 210.894   5.251  -9.595
  506    HA   THR  58           HA       THR  58 211.346   2.509  -8.827
  507    HB   THR  58           HB       THR  58 213.710   3.341  -8.448
  508    HG1  THR  58           HG1      THR  58 213.468   5.483  -8.145
  509   1HG2  THR  58          HG21      THR  58 212.452   3.765 -11.141
  510   2HG2  THR  58          HG22      THR  58 213.177   2.281 -10.521
  511   3HG2  THR  58          HG23      THR  58 214.190   3.691 -10.840
  512    H    VAL  59           HN       VAL  59 212.130   1.785  -6.873
  513    HA   VAL  59           HA       VAL  59 210.834   2.591  -4.601
  514    HB   VAL  59           HB       VAL  59 213.376   1.071  -5.032
  515   1HG1  VAL  59          HG11      VAL  59 213.304   0.492  -2.575
  516   2HG1  VAL  59          HG12      VAL  59 212.205   1.857  -2.365
  517   3HG1  VAL  59          HG13      VAL  59 213.847   2.128  -2.949
  518   1HG2  VAL  59          HG21      VAL  59 210.780   0.353  -5.224
  519   2HG2  VAL  59          HG22      VAL  59 211.115  -0.077  -3.547
  520   3HG2  VAL  59          HG23      VAL  59 212.092  -0.763  -4.845
  521    H    GLY  60           HN       GLY  60 213.873   3.778  -5.905
  522   1HA   GLY  60          HA2       GLY  60 214.761   5.239  -3.670
  523   2HA   GLY  60          HA1       GLY  60 215.166   5.595  -5.345
  524    H    GLN  61           HN       GLN  61 212.461   5.988  -6.211
  525    HA   GLN  61           HA       GLN  61 212.129   8.738  -5.458
  526   1HB   GLN  61          HB2       GLN  61 210.468   6.942  -7.216
  527   2HB   GLN  61          HB1       GLN  61 210.230   8.676  -7.030
  528   1HG   GLN  61          HG2       GLN  61 212.519   9.040  -7.836
  529   2HG   GLN  61          HG1       GLN  61 212.657   7.310  -8.133
  530   1HE2  GLN  61          HE21      GLN  61 210.043   6.877  -9.086
  531   2HE2  GLN  61          HE22      GLN  61 209.903   7.612 -10.643
  532    H    PHE  62           HN       PHE  62 210.266   5.746  -5.076
  533    HA   PHE  62           HA       PHE  62 208.033   6.710  -3.771
  534   1HB   PHE  62          HB2       PHE  62 208.575   4.306  -4.507
  535   2HB   PHE  62          HB1       PHE  62 209.372   4.142  -2.946
  536    HD1  PHE  62           HD1      PHE  62 208.020   2.653  -1.782
  537    HD2  PHE  62           HD2      PHE  62 206.253   5.964  -3.777
  538    HE1  PHE  62           HE1      PHE  62 205.855   2.125  -0.735
  539    HE2  PHE  62           HE2      PHE  62 204.088   5.445  -2.736
  540    HZ   PHE  62           HZ       PHE  62 203.889   3.528  -1.216
  541    H    TYR  63           HN       TYR  63 211.179   5.848  -2.412
  542    HA   TYR  63           HA       TYR  63 210.640   6.130   0.294
  543   1HB   TYR  63          HB2       TYR  63 213.058   6.420  -1.413
  544   2HB   TYR  63          HB1       TYR  63 213.148   7.061   0.223
  545    HD1  TYR  63           HD1      TYR  63 212.199   5.344   2.063
  546    HD2  TYR  63           HD2      TYR  63 213.771   4.299  -1.740
  547    HE1  TYR  63           HE1      TYR  63 212.709   3.095   2.906
  548    HE2  TYR  63           HE2      TYR  63 214.288   2.037  -0.915
  549    HH   TYR  63           HH       TYR  63 214.692   1.160   1.909
  550    H    PHE  64           HN       PHE  64 212.297   8.523  -1.676
  551    HA   PHE  64           HA       PHE  64 212.296  10.697  -0.097
  552   1HB   PHE  64          HB2       PHE  64 213.340  10.980  -2.154
  553   2HB   PHE  64          HB1       PHE  64 211.950  10.386  -3.053
  554    HD1  PHE  64           HD1      PHE  64 213.177  13.272  -1.073
  555    HD2  PHE  64           HD2      PHE  64 210.417  11.859  -3.990
  556    HE1  PHE  64           HE1      PHE  64 212.493  15.589  -1.541
  557    HE2  PHE  64           HE2      PHE  64 209.729  14.175  -4.464
  558    HZ   PHE  64           HZ       PHE  64 210.767  16.042  -3.239
  559    H    LEU  65           HN       LEU  65 209.474   9.518  -1.881
  560    HA   LEU  65           HA       LEU  65 207.860  11.774  -1.275
  561   1HB   LEU  65          HB2       LEU  65 206.456  10.851  -2.720
  562   2HB   LEU  65          HB1       LEU  65 207.681   9.624  -2.975
  563    HG   LEU  65           HG       LEU  65 206.590   8.359  -1.076
  564   1HD1  LEU  65          HD11      LEU  65 204.696   9.095  -0.117
  565   2HD1  LEU  65          HD12      LEU  65 204.019   9.631  -1.653
  566   3HD1  LEU  65          HD13      LEU  65 205.147  10.667  -0.775
  567   1HD2  LEU  65          HD21      LEU  65 205.085   7.281  -2.557
  568   2HD2  LEU  65          HD22      LEU  65 206.406   7.893  -3.552
  569   3HD2  LEU  65          HD23      LEU  65 204.864   8.748  -3.509
  570    H    ILE  66           HN       ILE  66 208.289   8.596   0.217
  571    HA   ILE  66           HA       ILE  66 206.286   9.020   2.213
  572    HB   ILE  66           HB       ILE  66 208.557   7.036   2.071
  573   1HG1  ILE  66          HG12      ILE  66 206.943   6.673   0.311
  574   2HG1  ILE  66          HG11      ILE  66 206.732   5.425   1.534
  575   1HG2  ILE  66          HG21      ILE  66 206.634   7.626   4.200
  576   2HG2  ILE  66          HG22      ILE  66 208.175   6.771   4.264
  577   3HG2  ILE  66          HG23      ILE  66 206.718   5.924   3.745
  578   1HD1  ILE  66          HD11      ILE  66 204.713   6.278   2.239
  579   2HD1  ILE  66          HD12      ILE  66 204.665   6.567   0.501
  580   3HD1  ILE  66          HD13      ILE  66 205.047   7.888   1.603
  581    H    ARG  67           HN       ARG  67 209.784   9.390   2.024
  582    HA   ARG  67           HA       ARG  67 210.558   9.793   4.604
  583   1HB   ARG  67          HB2       ARG  67 211.480  10.640   1.982
  584   2HB   ARG  67          HB1       ARG  67 211.831  11.860   3.195
  585   1HG   ARG  67          HG2       ARG  67 213.531  10.680   3.978
  586   2HG   ARG  67          HG1       ARG  67 212.519   9.249   4.182
  587   1HD   ARG  67          HD2       ARG  67 212.998   8.464   2.044
  588   2HD   ARG  67          HD1       ARG  67 213.549  10.044   1.491
  589    HE   ARG  67           HE       ARG  67 215.213   9.114   3.571
  590   1HH1  ARG  67          HH11      ARG  67 214.491   8.543   0.205
  591   2HH1  ARG  67          HH12      ARG  67 216.074   7.945  -0.163
  592   1HH2  ARG  67          HH21      ARG  67 217.297   8.330   3.090
  593   2HH2  ARG  67          HH22      ARG  67 217.668   7.824   1.476
  594    H    LYS  68           HN       LYS  68 209.217  12.350   2.486
  595    HA   LYS  68           HA       LYS  68 209.210  14.361   4.451
  596   1HB   LYS  68          HB2       LYS  68 207.354  14.066   2.089
  597   2HB   LYS  68          HB1       LYS  68 207.652  15.542   2.995
  598   1HG   LYS  68          HG2       LYS  68 209.808  15.774   2.147
  599   2HG   LYS  68          HG1       LYS  68 209.882  14.088   1.630
  600   1HD   LYS  68          HD2       LYS  68 207.701  15.605   0.414
  601   2HD   LYS  68          HD1       LYS  68 209.308  16.218   0.010
  602   1HE   LYS  68          HE2       LYS  68 209.984  14.083  -0.833
  603   2HE   LYS  68          HE1       LYS  68 208.514  13.329  -0.220
  604   1HZ   LYS  68          HZ1       LYS  68 208.303  13.683  -2.567
  605   2HZ   LYS  68          HZ2       LYS  68 208.683  15.324  -2.410
  606   3HZ   LYS  68          HZ3       LYS  68 207.237  14.727  -1.770
  607    H    ARG  69           HN       ARG  69 206.696  12.097   3.403
  608    HA   ARG  69           HA       ARG  69 204.592  12.930   4.991
  609   1HB   ARG  69          HB2       ARG  69 205.318  10.063   4.367
  610   2HB   ARG  69          HB1       ARG  69 203.728  10.665   4.809
  611   1HG   ARG  69          HG2       ARG  69 204.818  12.044   2.502
  612   2HG   ARG  69          HG1       ARG  69 204.691  10.301   2.253
  613   1HD   ARG  69          HD2       ARG  69 202.435  10.317   2.323
  614   2HD   ARG  69          HD1       ARG  69 202.376  11.612   3.522
  615    HE   ARG  69           HE       ARG  69 202.306  11.891   0.660
  616   1HH1  ARG  69          HH11      ARG  69 203.057  13.481   3.674
  617   2HH1  ARG  69          HH12      ARG  69 202.846  15.074   3.031
  618   1HH2  ARG  69          HH21      ARG  69 202.028  13.987  -0.188
  619   2HH2  ARG  69          HH22      ARG  69 202.261  15.361   0.839
  620    H    ILE  70           HN       ILE  70 207.523  11.322   5.902
  621    HA   ILE  70           HA       ILE  70 206.493  10.941   8.628
  622    HB   ILE  70           HB       ILE  70 208.881   9.603   8.612
  623   1HG1  ILE  70          HG12      ILE  70 207.544   8.729   6.081
  624   2HG1  ILE  70          HG11      ILE  70 208.773   9.988   6.051
  625   1HG2  ILE  70          HG21      ILE  70 207.572   7.974   9.362
  626   2HG2  ILE  70          HG22      ILE  70 206.687   7.883   7.840
  627   3HG2  ILE  70          HG23      ILE  70 206.215   9.060   9.064
  628   1HD1  ILE  70          HD11      ILE  70 209.424   7.477   7.473
  629   2HD1  ILE  70          HD12      ILE  70 210.457   8.556   6.533
  630   3HD1  ILE  70          HD13      ILE  70 209.364   7.441   5.711
  631    H    HIS  71           HN       HIS  71 208.451  12.926   6.798
  632    HA   HIS  71           HA       HIS  71 209.645  14.757   7.393
  633   1HB   HIS  71          HB2       HIS  71 209.489  13.764  10.242
  634   2HB   HIS  71          HB1       HIS  71 210.072  15.338   9.723
  635    HD1  HIS  71           HD1      HIS  71 208.395  17.149   9.750
  636    HD2  HIS  71           HD2      HIS  71 206.613  13.404   9.496
  637    HE1  HIS  71           HE1      HIS  71 205.920  17.572   9.867
  638    HE2  HIS  71           HE2      HIS  71 204.865  15.287   9.781
  639    H    LEU  72           HN       LEU  72 210.910  12.880   6.212
  640    HA   LEU  72           HA       LEU  72 213.502  12.693   7.597
  641   1HB   LEU  72          HB2       LEU  72 212.160  10.699   5.799
  642   2HB   LEU  72          HB1       LEU  72 213.870  10.622   6.193
  643    HG   LEU  72           HG       LEU  72 212.717   9.050   7.570
  644   1HD1  LEU  72          HD11      LEU  72 213.882  11.439   8.817
  645   2HD1  LEU  72          HD12      LEU  72 214.297   9.737   9.003
  646   3HD1  LEU  72          HD13      LEU  72 212.926  10.412   9.883
  647   1HD2  LEU  72          HD21      LEU  72 211.032  11.127   8.862
  648   2HD2  LEU  72          HD22      LEU  72 210.768   9.392   8.697
  649   3HD2  LEU  72          HD23      LEU  72 210.521  10.458   7.312
  650    H    ARG  73           HN       ARG  73 215.278  13.328   6.422
  651    HA   ARG  73           HA       ARG  73 214.738  14.244   3.670
  652   1HB   ARG  73          HB2       ARG  73 216.633  15.937   4.246
  653   2HB   ARG  73          HB1       ARG  73 214.991  16.244   4.794
  654   1HG   ARG  73          HG2       ARG  73 216.954  14.824   6.550
  655   2HG   ARG  73          HG1       ARG  73 216.939  16.586   6.437
  656   1HD   ARG  73          HD2       ARG  73 214.301  15.369   6.840
  657   2HD   ARG  73          HD1       ARG  73 215.431  15.115   8.169
  658    HE   ARG  73           HE       ARG  73 215.660  17.756   7.698
  659   1HH1  ARG  73          HH11      ARG  73 212.892  15.687   8.196
  660   2HH1  ARG  73          HH12      ARG  73 211.928  16.939   8.904
  661   1HH2  ARG  73          HH21      ARG  73 214.392  19.403   8.629
  662   2HH2  ARG  73          HH22      ARG  73 212.779  19.047   9.150
  663    H    ALA  74           HN       ALA  74 215.537  12.047   3.104
  664    HA   ALA  74           HA       ALA  74 217.130  10.650   2.273
  665   1HB   ALA  74          HB1       ALA  74 217.803  12.161   0.706
  666   2HB   ALA  74          HB2       ALA  74 219.313  11.974   1.598
  667   3HB   ALA  74          HB3       ALA  74 218.273  13.365   1.906
  668    H    GLU  75           HN       GLU  75 219.275  12.938   3.961
  669    HA   GLU  75           HA       GLU  75 221.117  11.152   4.904
  670   1HB   GLU  75          HB2       GLU  75 220.086  13.678   6.197
  671   2HB   GLU  75          HB1       GLU  75 221.478  12.790   6.800
  672   1HG   GLU  75          HG2       GLU  75 221.844  13.210   4.019
  673   2HG   GLU  75          HG1       GLU  75 221.369  14.742   4.751
  674    H    ASP  76           HN       ASP  76 217.919  11.765   6.129
  675    HA   ASP  76           HA       ASP  76 218.269  10.369   8.601
  676   1HB   ASP  76          HB2       ASP  76 216.317  12.027   7.473
  677   2HB   ASP  76          HB1       ASP  76 215.532  10.474   7.725
  678    H    ALA  77           HN       ALA  77 217.180   8.394   9.172
  679    HA   ALA  77           HA       ALA  77 217.534   6.410   7.115
  680   1HB   ALA  77          HB1       ALA  77 218.443   5.944   9.290
  681   2HB   ALA  77          HB2       ALA  77 217.165   4.784   8.923
  682   3HB   ALA  77          HB3       ALA  77 216.851   6.121  10.030
  683    H    LEU  78           HN       LEU  78 216.067   5.156   6.206
  684    HA   LEU  78           HA       LEU  78 213.390   4.822   7.064
  685   1HB   LEU  78          HB2       LEU  78 213.084   7.069   6.239
  686   2HB   LEU  78          HB1       LEU  78 213.888   6.668   4.732
  687    HG   LEU  78           HG       LEU  78 212.043   5.116   4.181
  688   1HD1  LEU  78          HD11      LEU  78 211.180   4.423   6.230
  689   2HD1  LEU  78          HD12      LEU  78 209.923   5.471   5.568
  690   3HD1  LEU  78          HD13      LEU  78 211.006   6.077   6.822
  691   1HD2  LEU  78          HD21      LEU  78 211.206   7.943   4.803
  692   2HD2  LEU  78          HD22      LEU  78 210.343   6.836   3.736
  693   3HD2  LEU  78          HD23      LEU  78 211.969   7.375   3.320
  694    H    PHE  79           HN       PHE  79 213.359   2.701   6.613
  695    HA   PHE  79           HA       PHE  79 214.166   1.853   3.907
  696   1HB   PHE  79          HB2       PHE  79 214.150   0.173   6.426
  697   2HB   PHE  79          HB1       PHE  79 214.703  -0.336   4.836
  698    HD1  PHE  79           HD1      PHE  79 216.923  -0.078   4.227
  699    HD2  PHE  79           HD2      PHE  79 215.396   2.107   7.544
  700    HE1  PHE  79           HE1      PHE  79 219.203   0.660   4.786
  701    HE2  PHE  79           HE2      PHE  79 217.672   2.853   8.107
  702    HZ   PHE  79           HZ       PHE  79 219.579   2.129   6.727
  703    H    PHE  80           HN       PHE  80 212.717   0.756   2.691
  704    HA   PHE  80           HA       PHE  80 210.018   0.563   3.720
  705   1HB   PHE  80          HB2       PHE  80 211.227   0.232   0.986
  706   2HB   PHE  80          HB1       PHE  80 209.560  -0.230   1.312
  707    HD1  PHE  80           HD1      PHE  80 209.110   2.089   3.348
  708    HD2  PHE  80           HD2      PHE  80 210.659   1.906  -0.612
  709    HE1  PHE  80           HE1      PHE  80 208.412   4.415   2.974
  710    HE2  PHE  80           HE2      PHE  80 209.957   4.229  -0.996
  711    HZ   PHE  80           HZ       PHE  80 208.834   5.488   0.800
  712    H    PHE  81           HN       PHE  81 208.770  -1.319   3.736
  713    HA   PHE  81           HA       PHE  81 210.188  -3.844   3.395
  714   1HB   PHE  81          HB2       PHE  81 208.682  -3.079   5.903
  715   2HB   PHE  81          HB1       PHE  81 209.343  -4.677   5.561
  716    HD1  PHE  81           HD1      PHE  81 210.155  -1.199   6.379
  717    HD2  PHE  81           HD2      PHE  81 211.694  -5.112   5.731
  718    HE1  PHE  81           HE1      PHE  81 212.313  -0.503   7.331
  719    HE2  PHE  81           HE2      PHE  81 213.855  -4.425   6.685
  720    HZ   PHE  81           HZ       PHE  81 214.174  -2.116   7.477
  721    H    VAL  82           HN       VAL  82 209.030  -4.939   1.978
  722    HA   VAL  82           HA       VAL  82 206.092  -4.832   2.178
  723    HB   VAL  82           HB       VAL  82 207.104  -3.840   0.071
  724   1HG1  VAL  82          HG11      VAL  82 207.667  -6.719  -0.615
  725   2HG1  VAL  82          HG12      VAL  82 208.897  -5.535  -0.172
  726   3HG1  VAL  82          HG13      VAL  82 207.940  -5.308  -1.636
  727   1HG2  VAL  82          HG21      VAL  82 205.309  -4.510  -1.214
  728   2HG2  VAL  82          HG22      VAL  82 204.762  -4.914   0.413
  729   3HG2  VAL  82          HG23      VAL  82 205.388  -6.178  -0.644
  730    H    ASN  83           HN       ASN  83 205.207  -6.683   2.819
  731    HA   ASN  83           HA       ASN  83 204.892  -8.902   3.238
  732   1HB   ASN  83          HB2       ASN  83 206.973  -9.396   1.093
  733   2HB   ASN  83          HB1       ASN  83 205.803 -10.557   1.711
  734   1HD2  ASN  83          HD21      ASN  83 205.070 -10.870  -0.424
  735   2HD2  ASN  83          HD22      ASN  83 204.017  -9.729  -1.181
  736    H    ASN  84           HN       ASN  84 207.128  -7.170   4.324
  737    HA   ASN  84           HA       ASN  84 208.427  -7.464   6.193
  738   1HB   ASN  84          HB2       ASN  84 207.365  -9.808   6.352
  739   2HB   ASN  84          HB1       ASN  84 208.825 -10.376   5.548
  740   1HD2  ASN  84          HD21      ASN  84 208.139  -8.008   8.103
  741   2HD2  ASN  84          HD22      ASN  84 209.267  -8.655   9.240
  742    H    VAL  85           HN       VAL  85 209.183  -7.666   3.032
  743    HA   VAL  85           HA       VAL  85 212.059  -7.941   3.574
  744    HB   VAL  85           HB       VAL  85 211.158  -9.605   2.040
  745   1HG1  VAL  85          HG11      VAL  85 210.806  -8.376  -0.370
  746   2HG1  VAL  85          HG12      VAL  85 210.020  -7.261   0.745
  747   3HG1  VAL  85          HG13      VAL  85 209.511  -8.947   0.683
  748   1HG2  VAL  85          HG21      VAL  85 213.507  -8.622   1.907
  749   2HG2  VAL  85          HG22      VAL  85 212.928  -7.776   0.472
  750   3HG2  VAL  85          HG23      VAL  85 212.929  -9.538   0.516
  751    H    ILE  86           HN       ILE  86 213.484  -6.650   2.315
  752    HA   ILE  86           HA       ILE  86 212.475  -3.930   1.990
  753    HB   ILE  86           HB       ILE  86 215.309  -4.955   2.027
  754   1HG1  ILE  86          HG12      ILE  86 213.430  -3.932   4.109
  755   2HG1  ILE  86          HG11      ILE  86 214.618  -5.227   4.211
  756   1HG2  ILE  86          HG21      ILE  86 214.273  -2.120   2.092
  757   2HG2  ILE  86          HG22      ILE  86 215.059  -2.893   0.715
  758   3HG2  ILE  86          HG23      ILE  86 215.963  -2.613   2.204
  759   1HD1  ILE  86          HD11      ILE  86 216.404  -3.578   4.296
  760   2HD1  ILE  86          HD12      ILE  86 215.238  -3.341   5.596
  761   3HD1  ILE  86          HD13      ILE  86 215.213  -2.284   4.187
  762    HA   PRO  87           HA       PRO  87 212.606  -4.612  -2.452
  763   1HB   PRO  87          HB2       PRO  87 211.523  -2.266  -3.197
  764   2HB   PRO  87          HB1       PRO  87 210.549  -3.554  -2.475
  765   1HG   PRO  87          HG2       PRO  87 211.677  -1.090  -1.203
  766   2HG   PRO  87          HG1       PRO  87 210.070  -1.813  -1.009
  767   1HD   PRO  87          HD2       PRO  87 212.111  -2.153   0.781
  768   2HD   PRO  87          HD1       PRO  87 210.807  -3.332   0.541
  769    HA   PRO  88           HA       PRO  88 216.389  -2.545  -3.503
  770   1HB   PRO  88          HB2       PRO  88 215.771  -2.990  -6.326
  771   2HB   PRO  88          HB1       PRO  88 217.025  -3.731  -5.329
  772   1HG   PRO  88          HG2       PRO  88 214.883  -5.116  -6.223
  773   2HG   PRO  88          HG1       PRO  88 215.661  -5.465  -4.669
  774   1HD   PRO  88          HD2       PRO  88 213.162  -3.908  -5.226
  775   2HD   PRO  88          HD1       PRO  88 213.482  -5.112  -3.959
  776    H    THR  89           HN       THR  89 216.931  -0.471  -3.835
  777    HA   THR  89           HA       THR  89 215.033   1.502  -4.407
  778    HB   THR  89           HB       THR  89 217.119   2.963  -4.776
  779    HG1  THR  89           HG1      THR  89 218.423   1.015  -5.248
  780   1HG2  THR  89          HG21      THR  89 217.868   2.454  -2.288
  781   2HG2  THR  89          HG22      THR  89 216.342   1.569  -2.288
  782   3HG2  THR  89          HG23      THR  89 216.364   3.291  -2.671
  783    H    SER  90           HN       SER  90 216.879  -0.493  -6.508
  784    HA   SER  90           HA       SER  90 216.706   1.266  -8.787
  785   1HB   SER  90          HB2       SER  90 218.613  -0.234  -8.610
  786   2HB   SER  90          HB1       SER  90 217.542  -1.635  -8.560
  787    HG   SER  90           HG       SER  90 217.803   0.183 -10.727
  788    H    ALA  91           HN       ALA  91 214.901  -1.421  -7.457
  789    HA   ALA  91           HA       ALA  91 213.406  -2.125  -9.722
  790   1HB   ALA  91          HB1       ALA  91 213.481  -3.486  -7.684
  791   2HB   ALA  91          HB2       ALA  91 211.822  -3.135  -8.174
  792   3HB   ALA  91          HB3       ALA  91 212.553  -2.253  -6.831
  793    H    THR  92           HN       THR  92 210.959  -1.793  -9.833
  794    HA   THR  92           HA       THR  92 210.347   1.041  -9.320
  795    HB   THR  92           HB       THR  92 209.133   1.150 -11.377
  796    HG1  THR  92           HG1      THR  92 208.741  -0.617 -12.632
  797   1HG2  THR  92          HG21      THR  92 211.428   1.499 -11.814
  798   2HG2  THR  92          HG22      THR  92 210.820   0.439 -13.086
  799   3HG2  THR  92          HG23      THR  92 211.771  -0.229 -11.758
  800    H    MET  93           HN       MET  93 208.340   1.574  -8.563
  801    HA   MET  93           HA       MET  93 206.990  -0.063  -6.853
  802   1HB   MET  93          HB2       MET  93 205.888   2.215  -8.506
  803   2HB   MET  93          HB1       MET  93 205.033   1.479  -7.158
  804   1HG   MET  93          HG2       MET  93 207.618   3.000  -7.071
  805   2HG   MET  93          HG1       MET  93 206.062   3.486  -6.406
  806   1HE   MET  93          HE1       MET  93 204.804   1.426  -5.132
  807   2HE   MET  93          HE2       MET  93 205.523   0.810  -3.645
  808   3HE   MET  93          HE3       MET  93 205.748  -0.063  -5.161
  809    H    GLY  94           HN       GLY  94 206.535   0.250 -10.320
  810   1HA   GLY  94          HA2       GLY  94 204.146  -1.268 -10.502
  811   2HA   GLY  94          HA1       GLY  94 205.276  -0.963 -11.815
  812    H    GLN  95           HN       GLN  95 207.573  -2.132 -10.752
  813    HA   GLN  95           HA       GLN  95 207.182  -4.835 -11.425
  814   1HB   GLN  95          HB2       GLN  95 209.473  -3.453 -10.015
  815   2HB   GLN  95          HB1       GLN  95 209.515  -5.136 -10.522
  816   1HG   GLN  95          HG2       GLN  95 209.528  -4.590 -12.779
  817   2HG   GLN  95          HG1       GLN  95 208.921  -2.961 -12.487
  818   1HE2  GLN  95          HE21      GLN  95 211.565  -4.701 -10.918
  819   2HE2  GLN  95          HE22      GLN  95 212.804  -3.585 -11.368
  820    H    LEU  96           HN       LEU  96 207.401  -3.142  -8.347
  821    HA   LEU  96           HA       LEU  96 207.397  -5.455  -6.709
  822   1HB   LEU  96          HB2       LEU  96 206.371  -2.693  -6.029
  823   2HB   LEU  96          HB1       LEU  96 206.801  -3.950  -4.886
  824    HG   LEU  96           HG       LEU  96 208.655  -2.356  -6.648
  825   1HD1  LEU  96          HD11      LEU  96 208.324  -2.660  -3.670
  826   2HD1  LEU  96          HD12      LEU  96 208.069  -1.210  -4.643
  827   3HD1  LEU  96          HD13      LEU  96 209.696  -1.854  -4.432
  828   1HD2  LEU  96          HD21      LEU  96 209.877  -4.237  -6.789
  829   2HD2  LEU  96          HD22      LEU  96 208.998  -5.028  -5.481
  830   3HD2  LEU  96          HD23      LEU  96 210.290  -3.886  -5.111
  831    H    TYR  97           HN       TYR  97 204.845  -3.256  -7.812
  832    HA   TYR  97           HA       TYR  97 202.696  -4.525  -6.540
  833   1HB   TYR  97          HB2       TYR  97 202.444  -2.305  -7.461
  834   2HB   TYR  97          HB1       TYR  97 202.760  -2.909  -9.085
  835    HD1  TYR  97           HD1      TYR  97 200.267  -2.284  -6.594
  836    HD2  TYR  97           HD2      TYR  97 201.112  -4.568 -10.085
  837    HE1  TYR  97           HE1      TYR  97 197.858  -2.682  -6.910
  838    HE2  TYR  97           HE2      TYR  97 198.708  -4.970 -10.411
  839    HH   TYR  97           HH       TYR  97 196.661  -4.902  -9.327
  840    H    GLN  98           HN       GLN  98 204.390  -5.240  -9.502
  841    HA   GLN  98           HA       GLN  98 202.398  -7.062 -10.462
  842   1HB   GLN  98          HB2       GLN  98 205.274  -6.677 -11.283
  843   2HB   GLN  98          HB1       GLN  98 204.098  -7.664 -12.139
  844   1HG   GLN  98          HG2       GLN  98 203.009  -5.060 -11.779
  845   2HG   GLN  98          HG1       GLN  98 204.635  -4.912 -12.443
  846   1HE2  GLN  98          HE21      GLN  98 204.581  -4.717 -14.552
  847   2HE2  GLN  98          HE22      GLN  98 203.529  -5.561 -15.632
  848    H    GLU  99           HN       GLU  99 205.129  -7.257  -8.331
  849    HA   GLU  99           HA       GLU  99 204.844 -10.189  -8.273
  850   1HB   GLU  99          HB2       GLU  99 207.277  -8.457  -7.966
  851   2HB   GLU  99          HB1       GLU  99 207.253 -10.142  -7.458
  852   1HG   GLU  99          HG2       GLU  99 206.309 -10.383  -9.966
  853   2HG   GLU  99          HG1       GLU  99 207.347  -8.969 -10.151
  854    H    HIS 100           HN       HIS 100 203.715  -7.813  -6.523
  855    HA   HIS 100           HA       HIS 100 204.214  -9.235  -4.025
  856   1HB   HIS 100          HB2       HIS 100 204.575  -6.262  -4.342
  857   2HB   HIS 100          HB1       HIS 100 204.479  -7.086  -2.789
  858    HD1  HIS 100           HD1      HIS 100 206.623  -7.932  -1.860
  859    HD2  HIS 100           HD2      HIS 100 206.878  -7.175  -5.935
  860    HE1  HIS 100           HE1      HIS 100 209.042  -8.268  -2.454
  861    HE2  HIS 100           HE2      HIS 100 209.190  -7.710  -4.906
  862    H    HIS 101           HN       HIS 101 202.144  -7.234  -5.928
  863    HA   HIS 101           HA       HIS 101 200.214  -6.443  -4.142
  864   1HB   HIS 101          HB2       HIS 101 198.648  -6.402  -5.964
  865   2HB   HIS 101          HB1       HIS 101 200.227  -5.935  -6.591
  866    HD1  HIS 101           HD1      HIS 101 201.569  -8.305  -7.521
  867    HD2  HIS 101           HD2      HIS 101 197.421  -8.105  -7.647
  868    HE1  HIS 101           HE1      HIS 101 200.865 -10.022  -9.217
  869    HE2  HIS 101           HE2      HIS 101 198.356  -9.820  -9.342
  870    H    GLU 102           HN       GLU 102 199.236  -7.562  -2.617
  871    HA   GLU 102           HA       GLU 102 199.098 -10.381  -2.573
  872   1HB   GLU 102          HB2       GLU 102 197.829  -8.243  -0.875
  873   2HB   GLU 102          HB1       GLU 102 197.600  -9.959  -0.559
  874   1HG   GLU 102          HG2       GLU 102 200.380  -8.971  -0.859
  875   2HG   GLU 102          HG1       GLU 102 199.503  -8.536   0.608
  876    H    GLU 103           HN       GLU 103 198.037 -10.295  -4.840
  877    HA   GLU 103           HA       GLU 103 196.206 -10.480  -6.219
  878   1HB   GLU 103          HB2       GLU 103 196.516 -12.673  -5.065
  879   2HB   GLU 103          HB1       GLU 103 195.276 -12.191  -3.915
  880   1HG   GLU 103          HG2       GLU 103 193.583 -12.427  -5.424
  881   2HG   GLU 103          HG1       GLU 103 194.622 -12.094  -6.810
  882    H    ASP 104           HN       ASP 104 195.935  -8.173  -4.438
  883    HA   ASP 104           HA       ASP 104 192.987  -8.039  -4.366
  884   1HB   ASP 104          HB2       ASP 104 193.499  -6.230  -2.520
  885   2HB   ASP 104          HB1       ASP 104 193.435  -7.939  -2.097
  886    H    PHE 105           HN       PHE 105 195.065  -7.276  -6.400
  887    HA   PHE 105           HA       PHE 105 195.535  -5.575  -7.832
  888   1HB   PHE 105          HB2       PHE 105 192.819  -4.718  -6.833
  889   2HB   PHE 105          HB1       PHE 105 193.667  -3.886  -8.132
  890    HD1  PHE 105           HD1      PHE 105 194.694  -5.763  -9.887
  891    HD2  PHE 105           HD2      PHE 105 191.137  -6.080  -7.573
  892    HE1  PHE 105           HE1      PHE 105 193.783  -7.368 -11.514
  893    HE2  PHE 105           HE2      PHE 105 190.220  -7.686  -9.195
  894    HZ   PHE 105           HZ       PHE 105 191.544  -8.331 -11.169
  895    H    PHE 106           HN       PHE 106 196.136  -5.316  -4.832
  896    HA   PHE 106           HA       PHE 106 196.689  -2.434  -4.817
  897   1HB   PHE 106          HB2       PHE 106 195.539  -4.212  -2.783
  898   2HB   PHE 106          HB1       PHE 106 196.837  -3.187  -2.182
  899    HD1  PHE 106           HD1      PHE 106 194.614  -2.180  -4.910
  900    HD2  PHE 106           HD2      PHE 106 195.435  -1.879  -0.747
  901    HE1  PHE 106           HE1      PHE 106 193.038  -0.285  -4.735
  902    HE2  PHE 106           HE2      PHE 106 193.861   0.006  -0.565
  903    HZ   PHE 106           HZ       PHE 106 192.660   0.803  -2.562
  904    H    LEU 107           HN       LEU 107 198.410  -2.273  -2.754
  905    HA   LEU 107           HA       LEU 107 200.513  -4.207  -2.884
  906   1HB   LEU 107          HB2       LEU 107 200.829  -3.036  -5.016
  907   2HB   LEU 107          HB1       LEU 107 200.943  -1.505  -4.168
  908    HG   LEU 107           HG       LEU 107 203.156  -2.094  -4.770
  909   1HD1  LEU 107          HD11      LEU 107 204.323  -2.341  -2.709
  910   2HD1  LEU 107          HD12      LEU 107 202.894  -2.987  -1.912
  911   3HD1  LEU 107          HD13      LEU 107 202.922  -1.308  -2.454
  912   1HD2  LEU 107          HD21      LEU 107 203.876  -4.184  -5.055
  913   2HD2  LEU 107          HD22      LEU 107 202.233  -4.713  -4.687
  914   3HD2  LEU 107          HD23      LEU 107 203.445  -4.640  -3.407
  915    H    TYR 108           HN       TYR 108 200.216  -4.171  -0.645
  916    HA   TYR 108           HA       TYR 108 200.559  -1.664   0.765
  917   1HB   TYR 108          HB2       TYR 108 199.756  -2.721   2.674
  918   2HB   TYR 108          HB1       TYR 108 198.871  -3.485   1.365
  919    HD1  TYR 108           HD1      TYR 108 199.647  -4.277   4.292
  920    HD2  TYR 108           HD2      TYR 108 200.986  -5.437   0.448
  921    HE1  TYR 108           HE1      TYR 108 200.317  -6.476   5.205
  922    HE2  TYR 108           HE2      TYR 108 201.661  -7.638   1.322
  923    HH   TYR 108           HH       TYR 108 200.758  -8.719   4.456
  924    H    ILE 109           HN       ILE 109 202.264  -0.928   1.679
  925    HA   ILE 109           HA       ILE 109 204.659  -2.633   1.919
  926    HB   ILE 109           HB       ILE 109 204.447   0.238   1.029
  927   1HG1  ILE 109          HG12      ILE 109 204.856  -2.362  -0.387
  928   2HG1  ILE 109          HG11      ILE 109 203.782  -1.028  -0.779
  929   1HG2  ILE 109          HG21      ILE 109 206.476   0.070   2.244
  930   2HG2  ILE 109          HG22      ILE 109 206.911  -0.022   0.538
  931   3HG2  ILE 109          HG23      ILE 109 206.866  -1.490   1.515
  932   1HD1  ILE 109          HD11      ILE 109 205.307  -0.725  -2.409
  933   2HD1  ILE 109          HD12      ILE 109 206.613  -1.451  -1.469
  934   3HD1  ILE 109          HD13      ILE 109 206.107   0.205  -1.139
  935    H    ALA 110           HN       ALA 110 206.315  -1.669   3.402
  936    HA   ALA 110           HA       ALA 110 205.146  -0.069   5.579
  937   1HB   ALA 110          HB1       ALA 110 206.658  -1.502   7.106
  938   2HB   ALA 110          HB2       ALA 110 206.599  -2.677   5.795
  939   3HB   ALA 110          HB3       ALA 110 205.109  -2.160   6.583
  940    H    TYR 111           HN       TYR 111 206.804   0.941   6.942
  941    HA   TYR 111           HA       TYR 111 209.423   1.245   5.690
  942   1HB   TYR 111          HB2       TYR 111 209.306   3.625   5.489
  943   2HB   TYR 111          HB1       TYR 111 207.897   2.959   4.673
  944    HD1  TYR 111           HD1      TYR 111 209.040   4.642   7.734
  945    HD2  TYR 111           HD2      TYR 111 205.710   3.526   5.373
  946    HE1  TYR 111           HE1      TYR 111 207.596   6.056   9.136
  947    HE2  TYR 111           HE2      TYR 111 204.239   4.937   6.743
  948    HH   TYR 111           HH       TYR 111 204.928   7.245   8.408
  949    H    SER 112           HN       SER 112 210.982   1.318   7.173
  950    HA   SER 112           HA       SER 112 210.326   2.201   9.914
  951   1HB   SER 112          HB2       SER 112 210.566   0.062  10.555
  952   2HB   SER 112          HB1       SER 112 211.241  -0.420   9.003
  953    HG   SER 112           HG       SER 112 212.549   0.533  11.301
  954    H    ASP 113           HN       ASP 113 212.313   2.687  11.200
  955    HA   ASP 113           HA       ASP 113 214.086   4.316   9.589
  956   1HB   ASP 113          HB2       ASP 113 213.095   5.204  11.674
  957   2HB   ASP 113          HB1       ASP 113 213.962   3.974  12.593
  958    H    GLU 114           HN       GLU 114 214.111   1.162  10.223
  959    HA   GLU 114           HA       GLU 114 217.049   1.030  10.301
  960   1HB   GLU 114          HB2       GLU 114 215.203  -0.928  11.676
  961   2HB   GLU 114          HB1       GLU 114 216.961  -0.942  11.702
  962   1HG   GLU 114          HG2       GLU 114 215.840   1.572  12.636
  963   2HG   GLU 114          HG1       GLU 114 215.316   0.184  13.590
  964    H    SER 115           HN       SER 115 217.727  -1.320   9.659
  965    HA   SER 115           HA       SER 115 216.619  -1.749   7.036
  966   1HB   SER 115          HB2       SER 115 218.388  -3.503   6.842
  967   2HB   SER 115          HB1       SER 115 219.016  -1.913   7.278
  968    HG   SER 115           HG       SER 115 219.334  -2.594   9.340
  969    H    VAL 116           HN       VAL 116 215.491  -2.700   9.921
  970    HA   VAL 116           HA       VAL 116 214.550  -5.287   8.904
  971    HB   VAL 116           HB       VAL 116 213.843  -4.999  11.646
  972   1HG1  VAL 116          HG11      VAL 116 215.661  -6.788  10.076
  973   2HG1  VAL 116          HG12      VAL 116 214.094  -7.145  10.804
  974   3HG1  VAL 116          HG13      VAL 116 215.520  -6.952  11.826
  975   1HG2  VAL 116          HG21      VAL 116 216.719  -4.309  11.076
  976   2HG2  VAL 116          HG22      VAL 116 216.185  -4.975  12.618
  977   3HG2  VAL 116          HG23      VAL 116 215.556  -3.424  12.064
  978    H    TYR 117           HN       TYR 117 212.281  -5.751   9.453
  979    HA   TYR 117           HA       TYR 117 210.595  -3.643   8.671
  980   1HB   TYR 117          HB2       TYR 117 209.873  -5.882   8.229
  981   2HB   TYR 117          HB1       TYR 117 209.978  -6.318   9.933
  982    HD1  TYR 117           HD1      TYR 117 207.828  -6.841  10.643
  983    HD2  TYR 117           HD2      TYR 117 208.430  -3.376   8.255
  984    HE1  TYR 117           HE1      TYR 117 205.470  -6.219  10.960
  985    HE2  TYR 117           HE2      TYR 117 206.075  -2.749   8.556
  986    HH   TYR 117           HH       TYR 117 203.945  -3.792   9.113
  987    H    GLY 118           HN       GLY 118 211.555  -2.125  10.353
  988   1HA   GLY 118          HA2       GLY 118 211.146  -0.777  12.164
  989   2HA   GLY 118          HA1       GLY 118 209.597  -1.595  12.317
  990    H    LEU 119           HN       LEU 119 209.837  -3.914  13.158
  991    HA   LEU 119           HA       LEU 119 210.210  -4.227  15.689
  992   1HB   LEU 119          HB2       LEU 119 211.181  -6.053  13.522
  993   2HB   LEU 119          HB1       LEU 119 211.322  -6.513  15.211
  994    HG   LEU 119           HG       LEU 119 208.644  -5.571  14.528
  995   1HD1  LEU 119          HD11      LEU 119 209.749  -6.966  12.477
  996   2HD1  LEU 119          HD12      LEU 119 208.030  -6.964  12.873
  997   3HD1  LEU 119          HD13      LEU 119 209.066  -8.270  13.449
  998   1HD2  LEU 119          HD21      LEU 119 207.997  -7.550  15.757
  999   2HD2  LEU 119          HD22      LEU 119 209.274  -6.691  16.620
 1000   3HD2  LEU 119          HD23      LEU 119 209.654  -8.153  15.710
  Start of MODEL    9
    1   1H    GLY   1          HT1       GLY   1 207.313 -14.116   5.621
    2   2H    GLY   1          HT2       GLY   1 208.217 -12.693   5.494
    3   3H    GLY   1          HT3       GLY   1 206.565 -12.615   5.847
    4   1HA   GLY   1          HA1       GLY   1 208.116 -14.211   7.693
    5   2HA   GLY   1          HA2       GLY   1 208.515 -12.501   7.687
    6    H    SER   2           HN       SER   2 207.558 -11.584   9.377
    7    HA   SER   2           HA       SER   2 204.723 -12.218   9.873
    8   1HB   SER   2          HB2       SER   2 206.709 -11.347  11.978
    9   2HB   SER   2          HB1       SER   2 205.069 -11.940  12.231
   10    HG   SER   2           HG       SER   2 207.401 -13.340  11.623
   11    H    MET   3           HN       MET   3 204.219 -10.471   8.404
   12    HA   MET   3           HA       MET   3 204.940  -7.790   9.278
   13   1HB   MET   3          HB2       MET   3 203.638  -8.920   6.826
   14   2HB   MET   3          HB1       MET   3 203.457  -7.212   7.201
   15   1HG   MET   3          HG2       MET   3 206.057  -7.277   7.401
   16   2HG   MET   3          HG1       MET   3 205.893  -8.733   6.420
   17   1HE   MET   3          HE1       MET   3 206.801  -5.099   5.952
   18   2HE   MET   3          HE2       MET   3 205.259  -5.015   6.806
   19   3HE   MET   3          HE3       MET   3 205.387  -4.399   5.158
   20    H    LYS   4           HN       LYS   4 203.699  -6.611  10.562
   21    HA   LYS   4           HA       LYS   4 200.939  -7.469  11.051
   22   1HB   LYS   4          HB2       LYS   4 202.978  -5.952  12.612
   23   2HB   LYS   4          HB1       LYS   4 201.281  -5.602  12.915
   24   1HG   LYS   4          HG2       LYS   4 201.636  -7.233  14.463
   25   2HG   LYS   4          HG1       LYS   4 201.119  -8.223  13.097
   26   1HD   LYS   4          HD2       LYS   4 203.685  -8.247  12.549
   27   2HD   LYS   4          HD1       LYS   4 203.842  -7.862  14.265
   28   1HE   LYS   4          HE2       LYS   4 202.031  -9.893  14.325
   29   2HE   LYS   4          HE1       LYS   4 203.032 -10.359  12.951
   30   1HZ   LYS   4          HZ1       LYS   4 204.461 -11.163  14.424
   31   2HZ   LYS   4          HZ2       LYS   4 203.625 -10.483  15.727
   32   3HZ   LYS   4          HZ3       LYS   4 204.797  -9.577  14.910
   33    H    PHE   5           HN       PHE   5 199.333  -6.411  10.070
   34    HA   PHE   5           HA       PHE   5 199.739  -3.572   9.402
   35   1HB   PHE   5          HB2       PHE   5 198.818  -5.817   7.668
   36   2HB   PHE   5          HB1       PHE   5 198.133  -4.216   7.406
   37    HD1  PHE   5           HD1      PHE   5 199.210  -2.768   5.986
   38    HD2  PHE   5           HD2      PHE   5 201.427  -5.896   7.826
   39    HE1  PHE   5           HE1      PHE   5 201.192  -2.132   4.671
   40    HE2  PHE   5           HE2      PHE   5 203.408  -5.267   6.516
   41    HZ   PHE   5           HZ       PHE   5 203.294  -3.384   4.935
   42    H    VAL   6           HN       VAL   6 197.725  -2.379   9.007
   43    HA   VAL   6           HA       VAL   6 195.428  -3.455  10.475
   44    HB   VAL   6           HB       VAL   6 195.715  -0.589  10.755
   45   1HG1  VAL   6          HG11      VAL   6 194.979  -2.912  12.462
   46   2HG1  VAL   6          HG12      VAL   6 194.022  -1.500  12.015
   47   3HG1  VAL   6          HG13      VAL   6 195.316  -1.348  13.204
   48   1HG2  VAL   6          HG21      VAL   6 198.112  -1.350  10.922
   49   2HG2  VAL   6          HG22      VAL   6 197.630  -2.272  12.345
   50   3HG2  VAL   6          HG23      VAL   6 197.482  -0.516  12.341
   51    H    TYR   7           HN       TYR   7 196.110  -0.356   8.836
   52    HA   TYR   7           HA       TYR   7 193.602  -0.077   7.698
   53   1HB   TYR   7          HB2       TYR   7 195.532   1.616   7.733
   54   2HB   TYR   7          HB1       TYR   7 196.095   0.821   6.265
   55    HD1  TYR   7           HD1      TYR   7 195.416   1.711   4.241
   56    HD2  TYR   7           HD2      TYR   7 192.943   2.256   7.664
   57    HE1  TYR   7           HE1      TYR   7 193.874   3.086   2.907
   58    HE2  TYR   7           HE2      TYR   7 191.396   3.628   6.337
   59    HH   TYR   7           HH       TYR   7 191.766   5.132   4.053
   60    H    LYS   8           HN       LYS   8 196.460  -1.721   6.400
   61    HA   LYS   8           HA       LYS   8 195.142  -2.489   3.970
   62   1HB   LYS   8          HB2       LYS   8 197.674  -2.194   4.305
   63   2HB   LYS   8          HB1       LYS   8 197.634  -3.760   5.101
   64   1HG   LYS   8          HG2       LYS   8 196.283  -3.824   2.541
   65   2HG   LYS   8          HG1       LYS   8 197.958  -3.288   2.399
   66   1HD   LYS   8          HD2       LYS   8 198.367  -5.510   2.322
   67   2HD   LYS   8          HD1       LYS   8 198.276  -5.367   4.079
   68   1HE   LYS   8          HE2       LYS   8 196.263  -6.416   4.196
   69   2HE   LYS   8          HE1       LYS   8 195.729  -5.796   2.634
   70   1HZ   LYS   8          HZ1       LYS   8 197.933  -7.691   2.573
   71   2HZ   LYS   8          HZ2       LYS   8 196.598  -7.548   1.543
   72   3HZ   LYS   8          HZ3       LYS   8 196.432  -8.320   3.039
   73    H    GLU   9           HN       GLU   9 195.521  -3.786   7.165
   74    HA   GLU   9           HA       GLU   9 194.715  -6.448   6.500
   75   1HB   GLU   9          HB2       GLU   9 195.447  -4.976   8.955
   76   2HB   GLU   9          HB1       GLU   9 194.342  -6.327   9.169
   77   1HG   GLU   9          HG2       GLU   9 196.331  -7.316   7.506
   78   2HG   GLU   9          HG1       GLU   9 197.187  -6.323   8.686
   79    H    GLU  10           HN       GLU  10 193.225  -3.961   8.552
   80    HA   GLU  10           HA       GLU  10 190.746  -5.026   8.926
   81   1HB   GLU  10          HB2       GLU  10 191.823  -2.269   8.815
   82   2HB   GLU  10          HB1       GLU  10 190.076  -2.420   8.689
   83   1HG   GLU  10          HG2       GLU  10 190.906  -2.057  10.995
   84   2HG   GLU  10          HG1       GLU  10 189.943  -3.520  10.798
   85    H    HIS  11           HN       HIS  11 191.446  -2.624   6.370
   86    HA   HIS  11           HA       HIS  11 189.090  -2.647   4.996
   87   1HB   HIS  11          HB2       HIS  11 191.922  -2.257   4.197
   88   2HB   HIS  11          HB1       HIS  11 190.766  -2.517   2.895
   89    HD1  HIS  11           HD1      HIS  11 189.101  -0.641   2.401
   90    HD2  HIS  11           HD2      HIS  11 191.578   0.148   5.642
   91    HE1  HIS  11           HE1      HIS  11 188.759   1.793   2.931
   92    HE2  HIS  11           HE2      HIS  11 190.183   2.218   4.964
   93    HA   PRO  12           HA       PRO  12 188.571  -7.121   4.276
   94   1HB   PRO  12          HB2       PRO  12 186.493  -5.908   2.537
   95   2HB   PRO  12          HB1       PRO  12 186.358  -7.230   3.696
   96   1HG   PRO  12          HG2       PRO  12 185.502  -4.675   4.186
   97   2HG   PRO  12          HG1       PRO  12 185.969  -5.824   5.446
   98   1HD   PRO  12          HD2       PRO  12 187.307  -3.391   4.593
   99   2HD   PRO  12          HD1       PRO  12 187.627  -4.409   6.004
  100    H    PHE  13           HN       PHE  13 188.235  -8.379   2.186
  101    HA   PHE  13           HA       PHE  13 190.249  -7.587   0.334
  102   1HB   PHE  13          HB2       PHE  13 189.539  -9.994   0.993
  103   2HB   PHE  13          HB1       PHE  13 188.276  -9.787  -0.218
  104    HD1  PHE  13           HD1      PHE  13 191.354 -11.177   0.254
  105    HD2  PHE  13           HD2      PHE  13 189.328  -8.608  -2.471
  106    HE1  PHE  13           HE1      PHE  13 192.970 -11.772  -1.507
  107    HE2  PHE  13           HE2      PHE  13 190.940  -9.198  -4.231
  108    HZ   PHE  13           HZ       PHE  13 192.766 -10.775  -3.750
  109    H    GLU  14           HN       GLU  14 186.715  -7.876   0.153
  110    HA   GLU  14           HA       GLU  14 186.335  -7.180  -2.492
  111   1HB   GLU  14          HB2       GLU  14 184.726  -7.288  -0.098
  112   2HB   GLU  14          HB1       GLU  14 184.264  -5.908  -1.085
  113   1HG   GLU  14          HG2       GLU  14 183.236  -7.197  -2.567
  114   2HG   GLU  14          HG1       GLU  14 184.613  -8.290  -2.683
  115    H    LYS  15           HN       LYS  15 187.405  -5.233   0.121
  116    HA   LYS  15           HA       LYS  15 186.821  -2.725  -1.197
  117   1HB   LYS  15          HB2       LYS  15 188.561  -3.092   1.232
  118   2HB   LYS  15          HB1       LYS  15 187.619  -1.683   0.761
  119   1HG   LYS  15          HG2       LYS  15 186.124  -4.174   1.253
  120   2HG   LYS  15          HG1       LYS  15 186.841  -3.372   2.646
  121   1HD   LYS  15          HD2       LYS  15 185.515  -1.539   2.450
  122   2HD   LYS  15          HD1       LYS  15 185.382  -1.700   0.693
  123   1HE   LYS  15          HE2       LYS  15 183.522  -2.910   0.840
  124   2HE   LYS  15          HE1       LYS  15 184.188  -3.927   2.114
  125   1HZ   LYS  15          HZ1       LYS  15 182.221  -2.663   2.824
  126   2HZ   LYS  15          HZ2       LYS  15 183.053  -1.217   2.543
  127   3HZ   LYS  15          HZ3       LYS  15 183.592  -2.283   3.741
  128    H    ARG  16           HN       ARG  16 189.745  -4.480  -0.158
  129    HA   ARG  16           HA       ARG  16 191.632  -2.799  -1.329
  130   1HB   ARG  16          HB2       ARG  16 191.685  -5.775  -0.819
  131   2HB   ARG  16          HB1       ARG  16 193.082  -4.877  -1.394
  132   1HG   ARG  16          HG2       ARG  16 193.059  -3.520   0.624
  133   2HG   ARG  16          HG1       ARG  16 191.626  -4.378   1.194
  134   1HD   ARG  16          HD2       ARG  16 193.388  -6.412   0.609
  135   2HD   ARG  16          HD1       ARG  16 194.434  -5.158   1.275
  136    HE   ARG  16           HE       ARG  16 192.438  -5.242   3.067
  137   1HH1  ARG  16          HH11      ARG  16 194.387  -7.757   1.630
  138   2HH1  ARG  16          HH12      ARG  16 194.279  -8.800   3.008
  139   1HH2  ARG  16          HH21      ARG  16 192.297  -6.613   4.878
  140   2HH2  ARG  16          HH22      ARG  16 193.094  -8.150   4.852
  141    H    ARG  17           HN       ARG  17 189.899  -5.580  -2.660
  142    HA   ARG  17           HA       ARG  17 191.174  -5.547  -5.195
  143   1HB   ARG  17          HB2       ARG  17 189.918  -7.489  -4.200
  144   2HB   ARG  17          HB1       ARG  17 188.426  -6.622  -4.540
  145   1HG   ARG  17          HG2       ARG  17 188.873  -6.689  -6.906
  146   2HG   ARG  17          HG1       ARG  17 190.450  -7.428  -6.619
  147   1HD   ARG  17          HD2       ARG  17 189.570  -9.472  -6.226
  148   2HD   ARG  17          HD1       ARG  17 188.137  -8.819  -5.434
  149    HE   ARG  17           HE       ARG  17 188.439  -9.470  -8.221
  150   1HH1  ARG  17          HH11      ARG  17 186.654  -7.581  -5.891
  151   2HH1  ARG  17          HH12      ARG  17 185.255  -7.428  -6.900
  152   1HH2  ARG  17          HH21      ARG  17 186.600  -9.269  -9.550
  153   2HH2  ARG  17          HH22      ARG  17 185.225  -8.387  -8.978
  154    H    SER  18           HN       SER  18 187.903  -4.518  -4.209
  155    HA   SER  18           HA       SER  18 187.028  -3.395  -6.534
  156   1HB   SER  18          HB2       SER  18 186.541  -2.592  -3.678
  157   2HB   SER  18          HB1       SER  18 185.749  -1.783  -5.030
  158    HG   SER  18           HG       SER  18 185.000  -4.000  -3.862
  159    H    GLU  19           HN       GLU  19 188.746  -1.651  -3.945
  160    HA   GLU  19           HA       GLU  19 189.002   0.780  -5.297
  161   1HB   GLU  19          HB2       GLU  19 189.919  -0.367  -2.858
  162   2HB   GLU  19          HB1       GLU  19 191.284   0.400  -3.650
  163   1HG   GLU  19          HG2       GLU  19 190.362   2.494  -3.523
  164   2HG   GLU  19          HG1       GLU  19 188.713   1.875  -3.419
  165    H    GLY  20           HN       GLY  20 191.230  -1.975  -5.079
  166   1HA   GLY  20          HA2       GLY  20 193.311  -0.882  -6.604
  167   2HA   GLY  20          HA1       GLY  20 193.005  -2.601  -6.394
  168    H    GLU  21           HN       GLU  21 191.025  -3.372  -7.722
  169    HA   GLU  21           HA       GLU  21 191.628  -3.367 -10.367
  170   1HB   GLU  21          HB2       GLU  21 190.134  -5.001  -9.711
  171   2HB   GLU  21          HB1       GLU  21 189.093  -3.863  -8.866
  172   1HG   GLU  21          HG2       GLU  21 187.904  -3.381 -10.704
  173   2HG   GLU  21          HG1       GLU  21 189.305  -3.477 -11.769
  174    H    LYS  22           HN       LYS  22 189.536  -1.042  -8.699
  175    HA   LYS  22           HA       LYS  22 188.675   0.230 -11.114
  176   1HB   LYS  22          HB2       LYS  22 187.188   0.528  -9.347
  177   2HB   LYS  22          HB1       LYS  22 188.465   0.878  -8.192
  178   1HG   LYS  22          HG2       LYS  22 187.972   2.765 -10.450
  179   2HG   LYS  22          HG1       LYS  22 186.898   2.776  -9.048
  180   1HD   LYS  22          HD2       LYS  22 189.465   2.717  -7.967
  181   2HD   LYS  22          HD1       LYS  22 189.584   3.827  -9.336
  182   1HE   LYS  22          HE2       LYS  22 187.562   5.004  -8.446
  183   2HE   LYS  22          HE1       LYS  22 187.669   3.983  -7.013
  184   1HZ   LYS  22          HZ1       LYS  22 189.670   5.957  -7.958
  185   2HZ   LYS  22          HZ2       LYS  22 189.960   4.859  -6.704
  186   3HZ   LYS  22          HZ3       LYS  22 188.749   6.029  -6.541
  187    H    ILE  23           HN       ILE  23 190.967   1.065  -8.558
  188    HA   ILE  23           HA       ILE  23 191.945   3.457  -9.537
  189    HB   ILE  23           HB       ILE  23 193.067   1.251  -7.870
  190   1HG1  ILE  23          HG12      ILE  23 193.058   4.090  -7.032
  191   2HG1  ILE  23          HG11      ILE  23 191.485   3.349  -7.308
  192   1HG2  ILE  23          HG21      ILE  23 194.951   2.195  -9.303
  193   2HG2  ILE  23          HG22      ILE  23 195.174   2.266  -7.558
  194   3HG2  ILE  23          HG23      ILE  23 194.701   3.711  -8.440
  195   1HD1  ILE  23          HD11      ILE  23 192.975   3.251  -5.000
  196   2HD1  ILE  23          HD12      ILE  23 193.221   1.664  -5.728
  197   3HD1  ILE  23          HD13      ILE  23 191.586   2.240  -5.399
  198    H    ARG  24           HN       ARG  24 192.429   0.215 -10.649
  199    HA   ARG  24           HA       ARG  24 194.645   0.924 -12.387
  200   1HB   ARG  24          HB2       ARG  24 193.159  -1.700 -12.272
  201   2HB   ARG  24          HB1       ARG  24 194.767  -1.405 -12.919
  202   1HG   ARG  24          HG2       ARG  24 194.237  -0.820 -10.050
  203   2HG   ARG  24          HG1       ARG  24 194.434  -2.494 -10.560
  204   1HD   ARG  24          HD2       ARG  24 196.398  -0.237 -10.637
  205   2HD   ARG  24          HD1       ARG  24 196.582  -1.846  -9.941
  206    HE   ARG  24           HE       ARG  24 197.211  -1.062 -12.591
  207   1HH1  ARG  24          HH11      ARG  24 195.920  -3.735 -10.755
  208   2HH1  ARG  24          HH12      ARG  24 196.417  -4.928 -11.907
  209   1HH2  ARG  24          HH21      ARG  24 197.866  -2.630 -14.104
  210   2HH2  ARG  24          HH22      ARG  24 197.523  -4.301 -13.807
  211    H    LYS  25           HN       LYS  25 191.218   0.835 -12.523
  212    HA   LYS  25           HA       LYS  25 190.904   0.275 -15.296
  213   1HB   LYS  25          HB2       LYS  25 189.110   1.649 -13.293
  214   2HB   LYS  25          HB1       LYS  25 188.632   1.304 -14.947
  215   1HG   LYS  25          HG2       LYS  25 189.156  -0.616 -12.716
  216   2HG   LYS  25          HG1       LYS  25 187.685  -0.394 -13.658
  217   1HD   LYS  25          HD2       LYS  25 189.503  -1.010 -15.586
  218   2HD   LYS  25          HD1       LYS  25 190.071  -1.983 -14.227
  219   1HE   LYS  25          HE2       LYS  25 187.201  -1.960 -15.125
  220   2HE   LYS  25          HE1       LYS  25 188.393  -3.077 -15.790
  221   1HZ   LYS  25          HZ1       LYS  25 188.755  -3.988 -13.614
  222   2HZ   LYS  25          HZ2       LYS  25 187.097  -4.026 -13.946
  223   3HZ   LYS  25          HZ3       LYS  25 187.724  -2.848 -12.906
  224    H    LYS  26           HN       LYS  26 190.693   3.262 -13.396
  225    HA   LYS  26           HA       LYS  26 190.767   4.858 -15.787
  226   1HB   LYS  26          HB2       LYS  26 189.407   5.258 -13.604
  227   2HB   LYS  26          HB1       LYS  26 190.880   6.054 -13.073
  228   1HG   LYS  26          HG2       LYS  26 190.447   7.071 -15.608
  229   2HG   LYS  26          HG1       LYS  26 188.832   6.964 -14.906
  230   1HD   LYS  26          HD2       LYS  26 191.129   8.193 -13.414
  231   2HD   LYS  26          HD1       LYS  26 190.151   9.128 -14.545
  232   1HE   LYS  26          HE2       LYS  26 188.172   8.742 -13.271
  233   2HE   LYS  26          HE1       LYS  26 188.991   7.563 -12.248
  234   1HZ   LYS  26          HZ1       LYS  26 189.036  10.463 -12.134
  235   2HZ   LYS  26          HZ2       LYS  26 190.520   9.701 -11.858
  236   3HZ   LYS  26          HZ3       LYS  26 189.186   9.327 -10.890
  237    H    TYR  27           HN       TYR  27 192.884   4.124 -13.072
  238    HA   TYR  27           HA       TYR  27 194.960   5.796 -14.317
  239   1HB   TYR  27          HB2       TYR  27 195.561   4.655 -11.672
  240   2HB   TYR  27          HB1       TYR  27 195.798   6.288 -12.273
  241    HD1  TYR  27           HD1      TYR  27 192.997   7.059 -12.921
  242    HD2  TYR  27           HD2      TYR  27 194.594   4.940  -9.601
  243    HE1  TYR  27           HE1      TYR  27 191.116   7.824 -11.530
  244    HE2  TYR  27           HE2      TYR  27 192.713   5.688  -8.202
  245    HH   TYR  27           HH       TYR  27 190.841   8.165  -8.827
  246    HA   PRO  28           HA       PRO  28 196.117   1.420 -15.348
  247   1HB   PRO  28          HB2       PRO  28 197.015   1.990 -17.824
  248   2HB   PRO  28          HB1       PRO  28 195.319   1.636 -17.466
  249   1HG   PRO  28          HG2       PRO  28 196.679   4.279 -17.714
  250   2HG   PRO  28          HG1       PRO  28 195.166   3.742 -18.456
  251   1HD   PRO  28          HD2       PRO  28 195.158   5.270 -16.272
  252   2HD   PRO  28          HD1       PRO  28 193.985   3.946 -16.459
  253    H    ASP  29           HN       ASP  29 197.739   4.417 -15.089
  254    HA   ASP  29           HA       ASP  29 200.365   3.133 -15.380
  255   1HB   ASP  29          HB2       ASP  29 199.399   5.948 -15.627
  256   2HB   ASP  29          HB1       ASP  29 201.070   5.669 -15.146
  257    H    ARG  30           HN       ARG  30 198.174   4.136 -13.006
  258    HA   ARG  30           HA       ARG  30 200.247   4.643 -11.008
  259   1HB   ARG  30          HB2       ARG  30 197.237   4.828 -10.889
  260   2HB   ARG  30          HB1       ARG  30 198.289   5.118  -9.514
  261   1HG   ARG  30          HG2       ARG  30 199.233   6.708 -11.651
  262   2HG   ARG  30          HG1       ARG  30 197.483   6.916 -11.556
  263   1HD   ARG  30          HD2       ARG  30 197.712   7.361  -9.136
  264   2HD   ARG  30          HD1       ARG  30 199.465   7.272  -9.319
  265    HE   ARG  30           HE       ARG  30 197.794   9.486  -9.947
  266   1HH1  ARG  30          HH11      ARG  30 200.697   7.830 -10.953
  267   2HH1  ARG  30          HH12      ARG  30 201.397   9.236 -11.678
  268   1HH2  ARG  30          HH21      ARG  30 198.715  11.338 -10.897
  269   2HH2  ARG  30          HH22      ARG  30 200.275  11.228 -11.644
  270    H    VAL  31           HN       VAL  31 200.084   3.561  -8.902
  271    HA   VAL  31           HA       VAL  31 198.914   0.874  -9.040
  272    HB   VAL  31           HB       VAL  31 200.859  -0.149  -8.047
  273   1HG1  VAL  31          HG11      VAL  31 200.690   0.681 -10.633
  274   2HG1  VAL  31          HG12      VAL  31 201.910  -0.425 -10.002
  275   3HG1  VAL  31          HG13      VAL  31 202.276   1.293 -10.163
  276   1HG2  VAL  31          HG21      VAL  31 202.953   1.632  -8.229
  277   2HG2  VAL  31          HG22      VAL  31 202.149   1.126  -6.744
  278   3HG2  VAL  31          HG23      VAL  31 201.651   2.612  -7.555
  279    HA   PRO  32           HA       PRO  32 197.349   2.406  -5.120
  280   1HB   PRO  32          HB2       PRO  32 195.997   0.134  -4.435
  281   2HB   PRO  32          HB1       PRO  32 195.362   1.346  -5.553
  282   1HG   PRO  32          HG2       PRO  32 196.678  -1.270  -6.139
  283   2HG   PRO  32          HG1       PRO  32 195.290  -0.511  -6.935
  284   1HD   PRO  32          HD2       PRO  32 197.786  -0.479  -7.993
  285   2HD   PRO  32          HD1       PRO  32 196.621   0.833  -8.250
  286    H    VAL  33           HN       VAL  33 198.965   2.552  -3.663
  287    HA   VAL  33           HA       VAL  33 200.166   0.055  -2.705
  288    HB   VAL  33           HB       VAL  33 201.283   2.853  -2.592
  289   1HG1  VAL  33          HG11      VAL  33 202.416   2.032  -0.832
  290   2HG1  VAL  33          HG12      VAL  33 203.372   1.205  -2.062
  291   3HG1  VAL  33          HG13      VAL  33 202.058   0.356  -1.249
  292   1HG2  VAL  33          HG21      VAL  33 202.097   0.462  -4.254
  293   2HG2  VAL  33          HG22      VAL  33 202.925   2.021  -4.206
  294   3HG2  VAL  33          HG23      VAL  33 201.282   1.917  -4.841
  295    H    ILE  34           HN       ILE  34 200.351  -0.398  -0.551
  296    HA   ILE  34           HA       ILE  34 198.944   1.395   1.307
  297    HB   ILE  34           HB       ILE  34 199.076  -1.595   1.680
  298   1HG1  ILE  34          HG12      ILE  34 197.891  -1.232  -0.407
  299   2HG1  ILE  34          HG11      ILE  34 196.713  -1.609   0.848
  300   1HG2  ILE  34          HG21      ILE  34 197.604   0.696   2.933
  301   2HG2  ILE  34          HG22      ILE  34 198.561  -0.569   3.705
  302   3HG2  ILE  34          HG23      ILE  34 196.971  -0.946   3.037
  303   1HD1  ILE  34          HD11      ILE  34 196.359   0.371  -0.856
  304   2HD1  ILE  34          HD12      ILE  34 197.324   1.246   0.332
  305   3HD1  ILE  34          HD13      ILE  34 195.812   0.478   0.818
  306    H    VAL  35           HN       VAL  35 201.105   2.305   1.554
  307    HA   VAL  35           HA       VAL  35 203.291   0.890   2.589
  308    HB   VAL  35           HB       VAL  35 202.598   3.784   3.112
  309   1HG1  VAL  35          HG11      VAL  35 205.095   2.162   3.429
  310   2HG1  VAL  35          HG12      VAL  35 204.337   3.283   4.565
  311   3HG1  VAL  35          HG13      VAL  35 205.174   3.900   3.140
  312   1HG2  VAL  35          HG21      VAL  35 204.110   2.505   0.839
  313   2HG2  VAL  35          HG22      VAL  35 204.057   4.239   1.159
  314   3HG2  VAL  35          HG23      VAL  35 202.579   3.374   0.738
  315    H    GLU  36           HN       GLU  36 204.175   0.957   4.773
  316    HA   GLU  36           HA       GLU  36 202.296   1.454   6.936
  317   1HB   GLU  36          HB2       GLU  36 202.575  -1.114   5.840
  318   2HB   GLU  36          HB1       GLU  36 203.480  -1.150   7.344
  319   1HG   GLU  36          HG2       GLU  36 201.150   0.141   8.039
  320   2HG   GLU  36          HG1       GLU  36 200.612  -1.084   6.892
  321    H    LYS  37           HN       LYS  37 203.287   1.415   9.037
  322    HA   LYS  37           HA       LYS  37 206.152   1.991   8.882
  323   1HB   LYS  37          HB2       LYS  37 204.391   3.568   9.964
  324   2HB   LYS  37          HB1       LYS  37 204.431   2.440  11.311
  325   1HG   LYS  37          HG2       LYS  37 207.110   3.063  10.652
  326   2HG   LYS  37          HG1       LYS  37 206.207   4.577  10.717
  327   1HD   LYS  37          HD2       LYS  37 207.068   4.119  12.907
  328   2HD   LYS  37          HD1       LYS  37 205.319   3.874  12.937
  329   1HE   LYS  37          HE2       LYS  37 205.502   1.603  13.151
  330   2HE   LYS  37          HE1       LYS  37 207.061   1.548  12.330
  331   1HZ   LYS  37          HZ1       LYS  37 207.874   2.804  14.416
  332   2HZ   LYS  37          HZ2       LYS  37 207.625   1.135  14.509
  333   3HZ   LYS  37          HZ3       LYS  37 206.470   2.196  15.139
  334    H    ALA  38           HN       ALA  38 206.927  -0.082   8.785
  335    HA   ALA  38           HA       ALA  38 206.401  -2.384   9.956
  336   1HB   ALA  38          HB1       ALA  38 208.654  -2.984   9.822
  337   2HB   ALA  38          HB2       ALA  38 209.200  -1.344  10.187
  338   3HB   ALA  38          HB3       ALA  38 208.465  -1.706   8.621
  339    HA   PRO  39           HA       PRO  39 206.027  -2.023  14.361
  340   1HB   PRO  39          HB2       PRO  39 206.982  -4.588  14.924
  341   2HB   PRO  39          HB1       PRO  39 205.297  -4.156  14.613
  342   1HG   PRO  39          HG2       PRO  39 207.334  -5.303  12.784
  343   2HG   PRO  39          HG1       PRO  39 205.594  -5.619  12.867
  344   1HD   PRO  39          HD2       PRO  39 206.649  -4.087  10.944
  345   2HD   PRO  39          HD1       PRO  39 205.070  -3.705  11.662
  346    H    LYS  40           HN       LYS  40 207.345  -1.786  16.169
  347    HA   LYS  40           HA       LYS  40 209.226  -1.415  17.374
  348   1HB   LYS  40          HB2       LYS  40 210.320  -3.367  15.373
  349   2HB   LYS  40          HB1       LYS  40 211.370  -2.596  16.552
  350   1HG   LYS  40          HG2       LYS  40 210.851  -4.408  17.778
  351   2HG   LYS  40          HG1       LYS  40 209.422  -3.457  18.183
  352   1HD   LYS  40          HD2       LYS  40 208.688  -4.675  15.835
  353   2HD   LYS  40          HD1       LYS  40 209.661  -5.918  16.623
  354   1HE   LYS  40          HE2       LYS  40 207.396  -6.231  17.303
  355   2HE   LYS  40          HE1       LYS  40 208.281  -5.575  18.680
  356   1HZ   LYS  40          HZ1       LYS  40 205.975  -4.604  17.978
  357   2HZ   LYS  40          HZ2       LYS  40 206.906  -3.710  16.884
  358   3HZ   LYS  40          HZ3       LYS  40 207.202  -3.586  18.545
  359    H    ALA  41           HN       ALA  41 209.155  -0.606  14.005
  360    HA   ALA  41           HA       ALA  41 211.493   0.722  13.554
  361   1HB   ALA  41          HB1       ALA  41 209.505   0.447  11.980
  362   2HB   ALA  41          HB2       ALA  41 210.398   1.968  11.894
  363   3HB   ALA  41          HB3       ALA  41 208.856   1.903  12.740
  364    H    ARG  42           HN       ARG  42 212.384   2.596  14.176
  365    HA   ARG  42           HA       ARG  42 211.203   3.948  16.461
  366   1HB   ARG  42          HB2       ARG  42 213.934   4.486  15.317
  367   2HB   ARG  42          HB1       ARG  42 213.363   4.781  16.955
  368   1HG   ARG  42          HG2       ARG  42 213.155   1.986  16.241
  369   2HG   ARG  42          HG1       ARG  42 214.805   2.590  16.064
  370   1HD   ARG  42          HD2       ARG  42 215.016   3.067  18.300
  371   2HD   ARG  42          HD1       ARG  42 213.282   3.290  18.525
  372    HE   ARG  42           HE       ARG  42 213.077   1.048  18.960
  373   1HH1  ARG  42          HH11      ARG  42 216.221   1.659  17.574
  374   2HH1  ARG  42          HH12      ARG  42 216.810   0.062  17.891
  375   1HH2  ARG  42          HH21      ARG  42 213.849  -1.053  19.378
  376   2HH2  ARG  42          HH22      ARG  42 215.462  -1.478  18.914
  377    H    ILE  43           HN       ILE  43 210.022   4.360  13.994
  378    HA   ILE  43           HA       ILE  43 210.577   7.214  13.501
  379    HB   ILE  43           HB       ILE  43 209.443   6.616  11.227
  380   1HG1  ILE  43          HG12      ILE  43 210.626   3.961  12.051
  381   2HG1  ILE  43          HG11      ILE  43 208.907   4.298  11.870
  382   1HG2  ILE  43          HG21      ILE  43 211.811   5.838  10.426
  383   2HG2  ILE  43          HG22      ILE  43 212.266   6.233  12.084
  384   3HG2  ILE  43          HG23      ILE  43 211.565   7.471  11.044
  385   1HD1  ILE  43          HD11      ILE  43 209.228   3.417   9.847
  386   2HD1  ILE  43          HD12      ILE  43 210.958   3.773   9.846
  387   3HD1  ILE  43          HD13      ILE  43 209.796   5.041   9.453
  388    H    GLY  44           HN       GLY  44 208.651   8.337  12.524
  389   1HA   GLY  44          HA2       GLY  44 206.461   8.173  14.299
  390   2HA   GLY  44          HA1       GLY  44 206.510   9.122  12.820
  391    H    ASP  45           HN       ASP  45 204.407   7.365  14.092
  392    HA   ASP  45           HA       ASP  45 204.099   5.203  12.198
  393   1HB   ASP  45          HB2       ASP  45 202.157   6.186  14.295
  394   2HB   ASP  45          HB1       ASP  45 202.076   4.657  13.426
  395    H    LEU  46           HN       LEU  46 202.986   5.238  10.372
  396    HA   LEU  46           HA       LEU  46 201.649   7.699   9.595
  397   1HB   LEU  46          HB2       LEU  46 203.108   5.626   8.251
  398   2HB   LEU  46          HB1       LEU  46 201.522   5.787   7.518
  399    HG   LEU  46           HG       LEU  46 203.031   8.287   8.007
  400   1HD1  LEU  46          HD11      LEU  46 204.027   6.089   6.336
  401   2HD1  LEU  46          HD12      LEU  46 204.878   7.477   7.014
  402   3HD1  LEU  46          HD13      LEU  46 203.936   7.655   5.533
  403   1HD2  LEU  46          HD21      LEU  46 202.074   8.599   5.608
  404   2HD2  LEU  46          HD22      LEU  46 200.990   8.664   6.997
  405   3HD2  LEU  46          HD23      LEU  46 201.084   7.198   6.021
  406    H    ASP  47           HN       ASP  47 199.517   7.884   9.097
  407    HA   ASP  47           HA       ASP  47 197.811   5.590   9.792
  408   1HB   ASP  47          HB2       ASP  47 196.028   7.340  10.131
  409   2HB   ASP  47          HB1       ASP  47 197.378   7.431  11.259
  410    H    LYS  48           HN       LYS  48 198.885   7.486   7.216
  411    HA   LYS  48           HA       LYS  48 196.579   7.526   5.573
  412   1HB   LYS  48          HB2       LYS  48 198.677   8.928   5.315
  413   2HB   LYS  48          HB1       LYS  48 199.450   7.500   4.644
  414   1HG   LYS  48          HG2       LYS  48 197.793   7.452   2.844
  415   2HG   LYS  48          HG1       LYS  48 197.035   8.898   3.516
  416   1HD   LYS  48          HD2       LYS  48 199.041  10.185   3.129
  417   2HD   LYS  48          HD1       LYS  48 199.906   8.742   2.598
  418   1HE   LYS  48          HE2       LYS  48 199.287   9.898   0.632
  419   2HE   LYS  48          HE1       LYS  48 198.181   8.530   0.767
  420   1HZ   LYS  48          HZ1       LYS  48 197.502  11.246   1.740
  421   2HZ   LYS  48          HZ2       LYS  48 196.457   9.937   1.507
  422   3HZ   LYS  48          HZ3       LYS  48 197.144  10.718   0.173
  423    H    LYS  49           HN       LYS  49 199.508   5.518   5.341
  424    HA   LYS  49           HA       LYS  49 199.867   3.395   4.655
  425   1HB   LYS  49          HB2       LYS  49 196.922   3.207   5.230
  426   2HB   LYS  49          HB1       LYS  49 197.790   1.847   4.525
  427   1HG   LYS  49          HG2       LYS  49 199.136   2.969   6.848
  428   2HG   LYS  49          HG1       LYS  49 197.512   2.377   7.203
  429   1HD   LYS  49          HD2       LYS  49 198.635   0.424   5.565
  430   2HD   LYS  49          HD1       LYS  49 199.939   0.903   6.650
  431   1HE   LYS  49          HE2       LYS  49 197.259  -0.262   7.314
  432   2HE   LYS  49          HE1       LYS  49 198.859  -0.826   7.789
  433   1HZ   LYS  49          HZ1       LYS  49 197.217   1.292   8.951
  434   2HZ   LYS  49          HZ2       LYS  49 198.892   1.526   8.951
  435   3HZ   LYS  49          HZ3       LYS  49 198.230   0.169   9.710
  436    H    LYS  50           HN       LYS  50 196.811   4.468   3.125
  437    HA   LYS  50           HA       LYS  50 197.379   3.164   0.675
  438   1HB   LYS  50          HB2       LYS  50 195.100   3.871   1.551
  439   2HB   LYS  50          HB1       LYS  50 195.507   5.499   1.030
  440   1HG   LYS  50          HG2       LYS  50 194.510   4.899  -0.878
  441   2HG   LYS  50          HG1       LYS  50 196.039   4.086  -1.223
  442   1HD   LYS  50          HD2       LYS  50 194.774   2.252  -1.484
  443   2HD   LYS  50          HD1       LYS  50 194.731   2.218   0.279
  444   1HE   LYS  50          HE2       LYS  50 192.489   2.018  -0.429
  445   2HE   LYS  50          HE1       LYS  50 192.676   3.679   0.129
  446   1HZ   LYS  50          HZ1       LYS  50 193.281   3.873  -2.490
  447   2HZ   LYS  50          HZ2       LYS  50 191.760   4.197  -1.826
  448   3HZ   LYS  50          HZ3       LYS  50 192.078   2.683  -2.507
  449    H    TYR  51           HN       TYR  51 198.198   3.888  -1.222
  450    HA   TYR  51           HA       TYR  51 198.973   6.663  -1.546
  451   1HB   TYR  51          HB2       TYR  51 200.970   4.414  -1.335
  452   2HB   TYR  51          HB1       TYR  51 201.336   5.914  -2.181
  453    HD1  TYR  51           HD1      TYR  51 201.570   8.009  -0.948
  454    HD2  TYR  51           HD2      TYR  51 200.808   4.342   1.058
  455    HE1  TYR  51           HE1      TYR  51 202.224   9.047   1.180
  456    HE2  TYR  51           HE2      TYR  51 201.458   5.367   3.197
  457    HH   TYR  51           HH       TYR  51 203.202   7.780   3.622
  458    H    LEU  52           HN       LEU  52 198.461   7.203  -3.558
  459    HA   LEU  52           HA       LEU  52 198.250   5.082  -5.569
  460   1HB   LEU  52          HB2       LEU  52 196.477   7.009  -4.968
  461   2HB   LEU  52          HB1       LEU  52 197.401   7.859  -6.191
  462    HG   LEU  52           HG       LEU  52 196.877   6.184  -7.845
  463   1HD1  LEU  52          HD11      LEU  52 194.959   4.545  -6.642
  464   2HD1  LEU  52          HD12      LEU  52 196.327   4.566  -5.531
  465   3HD1  LEU  52          HD13      LEU  52 196.563   4.082  -7.210
  466   1HD2  LEU  52          HD21      LEU  52 195.078   7.937  -6.776
  467   2HD2  LEU  52          HD22      LEU  52 194.184   6.418  -6.722
  468   3HD2  LEU  52          HD23      LEU  52 194.832   7.005  -8.253
  469    H    VAL  53           HN       VAL  53 200.644   5.074  -5.529
  470    HA   VAL  53           HA       VAL  53 201.952   7.299  -6.854
  471    HB   VAL  53           HB       VAL  53 203.940   5.566  -6.749
  472   1HG1  VAL  53          HG11      VAL  53 203.323   7.764  -5.389
  473   2HG1  VAL  53          HG12      VAL  53 204.702   6.751  -4.966
  474   3HG1  VAL  53          HG13      VAL  53 203.189   6.598  -4.073
  475   1HG2  VAL  53          HG21      VAL  53 203.819   3.975  -4.998
  476   2HG2  VAL  53          HG22      VAL  53 202.382   3.734  -5.991
  477   3HG2  VAL  53          HG23      VAL  53 202.258   4.588  -4.453
  478    HA   PRO  54           HA       PRO  54 201.832   5.858 -11.007
  479   1HB   PRO  54          HB2       PRO  54 204.745   6.378 -11.177
  480   2HB   PRO  54          HB1       PRO  54 203.423   7.054 -12.135
  481   1HG   PRO  54          HG2       PRO  54 204.681   8.519 -10.289
  482   2HG   PRO  54          HG1       PRO  54 202.936   8.679 -10.562
  483   1HD   PRO  54          HD2       PRO  54 204.391   7.262  -8.368
  484   2HD   PRO  54          HD1       PRO  54 202.898   8.221  -8.298
  485    H    SER  55           HN       SER  55 203.508   4.574 -12.553
  486    HA   SER  55           HA       SER  55 204.130   2.099 -11.089
  487   1HB   SER  55          HB2       SER  55 203.611   0.854 -13.032
  488   2HB   SER  55          HB1       SER  55 202.354   2.088 -12.947
  489    HG   SER  55           HG       SER  55 204.640   2.035 -14.616
  490    H    ASP  56           HN       ASP  56 205.508   4.699 -12.772
  491    HA   ASP  56           HA       ASP  56 207.940   3.189 -13.398
  492   1HB   ASP  56          HB2       ASP  56 206.921   5.899 -14.246
  493   2HB   ASP  56          HB1       ASP  56 208.604   5.430 -14.477
  494    H    LEU  57           HN       LEU  57 206.570   4.966 -10.951
  495    HA   LEU  57           HA       LEU  57 208.615   6.618 -10.049
  496   1HB   LEU  57          HB2       LEU  57 206.318   6.645  -9.168
  497   2HB   LEU  57          HB1       LEU  57 206.603   5.092  -8.403
  498    HG   LEU  57           HG       LEU  57 208.633   6.471  -7.328
  499   1HD1  LEU  57          HD11      LEU  57 208.081   8.713  -6.856
  500   2HD1  LEU  57          HD12      LEU  57 206.460   8.535  -7.531
  501   3HD1  LEU  57          HD13      LEU  57 207.867   8.510  -8.595
  502   1HD2  LEU  57          HD21      LEU  57 207.306   5.381  -5.820
  503   2HD2  LEU  57          HD22      LEU  57 205.814   6.042  -6.487
  504   3HD2  LEU  57          HD23      LEU  57 206.852   7.051  -5.480
  505    H    THR  58           HN       THR  58 210.629   6.081  -9.531
  506    HA   THR  58           HA       THR  58 211.399   3.388  -8.969
  507    HB   THR  58           HB       THR  58 213.576   4.811  -8.239
  508    HG1  THR  58           HG1      THR  58 212.387   6.436 -10.219
  509   1HG2  THR  58          HG21      THR  58 212.710   3.471 -10.582
  510   2HG2  THR  58          HG22      THR  58 214.355   3.756 -10.010
  511   3HG2  THR  58          HG23      THR  58 213.569   4.937 -11.058
  512    H    VAL  59           HN       VAL  59 212.033   2.459  -7.079
  513    HA   VAL  59           HA       VAL  59 210.692   2.967  -4.762
  514    HB   VAL  59           HB       VAL  59 213.332   1.635  -5.262
  515   1HG1  VAL  59          HG11      VAL  59 211.960   1.977  -2.596
  516   2HG1  VAL  59          HG12      VAL  59 213.602   2.453  -3.032
  517   3HG1  VAL  59          HG13      VAL  59 213.182   0.744  -2.915
  518   1HG2  VAL  59          HG21      VAL  59 211.602   0.305  -6.041
  519   2HG2  VAL  59          HG22      VAL  59 210.526   0.753  -4.718
  520   3HG2  VAL  59          HG23      VAL  59 211.884  -0.332  -4.420
  521    H    GLY  60           HN       GLY  60 213.745   4.380  -5.816
  522   1HA   GLY  60          HA2       GLY  60 214.479   5.632  -3.405
  523   2HA   GLY  60          HA1       GLY  60 214.948   6.169  -5.015
  524    H    GLN  61           HN       GLN  61 212.268   6.563  -5.962
  525    HA   GLN  61           HA       GLN  61 211.822   9.227  -5.034
  526   1HB   GLN  61          HB2       GLN  61 210.204   7.464  -6.869
  527   2HB   GLN  61          HB1       GLN  61 209.904   9.177  -6.593
  528   1HG   GLN  61          HG2       GLN  61 212.203   9.635  -7.387
  529   2HG   GLN  61          HG1       GLN  61 212.335   7.933  -7.827
  530   1HE2  GLN  61          HE21      GLN  61 209.694   7.577  -8.743
  531   2HE2  GLN  61          HE22      GLN  61 209.516   8.433 -10.234
  532    H    PHE  62           HN       PHE  62 210.042   6.171  -4.816
  533    HA   PHE  62           HA       PHE  62 207.795   6.988  -3.434
  534   1HB   PHE  62          HB2       PHE  62 208.411   4.661  -4.346
  535   2HB   PHE  62          HB1       PHE  62 209.210   4.408  -2.797
  536    HD1  PHE  62           HD1      PHE  62 206.036   6.190  -3.504
  537    HD2  PHE  62           HD2      PHE  62 207.909   2.796  -1.757
  538    HE1  PHE  62           HE1      PHE  62 203.885   5.514  -2.524
  539    HE2  PHE  62           HE2      PHE  62 205.760   2.112  -0.771
  540    HZ   PHE  62           HZ       PHE  62 203.746   3.476  -1.159
  541    H    TYR  63           HN       TYR  63 210.978   6.128  -2.168
  542    HA   TYR  63           HA       TYR  63 210.476   6.176   0.555
  543   1HB   TYR  63          HB2       TYR  63 212.851   6.738  -1.152
  544   2HB   TYR  63          HB1       TYR  63 212.935   7.208   0.543
  545    HD1  TYR  63           HD1      TYR  63 212.159   5.295   2.222
  546    HD2  TYR  63           HD2      TYR  63 213.585   4.671  -1.729
  547    HE1  TYR  63           HE1      TYR  63 212.779   2.994   2.821
  548    HE2  TYR  63           HE2      TYR  63 214.211   2.361  -1.149
  549    HH   TYR  63           HH       TYR  63 213.583   0.645   0.514
  550    H    PHE  64           HN       PHE  64 211.971   8.797  -1.250
  551    HA   PHE  64           HA       PHE  64 211.921  10.827   0.512
  552   1HB   PHE  64          HB2       PHE  64 212.914  11.355  -1.507
  553   2HB   PHE  64          HB1       PHE  64 211.571  10.726  -2.450
  554    HD1  PHE  64           HD1      PHE  64 212.540  13.544  -0.232
  555    HD2  PHE  64           HD2      PHE  64 209.990  12.156  -3.343
  556    HE1  PHE  64           HE1      PHE  64 211.696  15.833  -0.553
  557    HE2  PHE  64           HE2      PHE  64 209.140  14.444  -3.671
  558    HZ   PHE  64           HZ       PHE  64 209.994  16.285  -2.277
  559    H    LEU  65           HN       LEU  65 209.110   9.723  -1.346
  560    HA   LEU  65           HA       LEU  65 207.424  11.848  -0.511
  561   1HB   LEU  65          HB2       LEU  65 206.031  10.994  -2.014
  562   2HB   LEU  65          HB1       LEU  65 207.297   9.840  -2.388
  563    HG   LEU  65           HG       LEU  65 206.282   8.399  -0.556
  564   1HD1  LEU  65          HD11      LEU  65 204.290   8.932   0.378
  565   2HD1  LEU  65          HD12      LEU  65 203.681   9.678  -1.099
  566   3HD1  LEU  65          HD13      LEU  65 204.770  10.578  -0.039
  567   1HD2  LEU  65          HD21      LEU  65 204.551   8.858  -2.975
  568   2HD2  LEU  65          HD22      LEU  65 204.827   7.348  -2.108
  569   3HD2  LEU  65          HD23      LEU  65 206.128   8.074  -3.054
  570    H    ILE  66           HN       ILE  66 208.075   8.612   0.710
  571    HA   ILE  66           HA       ILE  66 206.071   8.736   2.755
  572    HB   ILE  66           HB       ILE  66 208.433   6.893   2.392
  573   1HG1  ILE  66          HG12      ILE  66 206.799   6.670   0.614
  574   2HG1  ILE  66          HG11      ILE  66 206.703   5.268   1.674
  575   1HG2  ILE  66          HG21      ILE  66 208.077   6.439   4.570
  576   2HG2  ILE  66          HG22      ILE  66 206.715   5.505   3.950
  577   3HG2  ILE  66          HG23      ILE  66 206.457   7.140   4.560
  578   1HD1  ILE  66          HD11      ILE  66 204.517   6.230   0.897
  579   2HD1  ILE  66          HD12      ILE  66 204.857   7.623   1.924
  580   3HD1  ILE  66          HD13      ILE  66 204.689   6.021   2.640
  581    H    ARG  67           HN       ARG  67 209.526   9.356   2.531
  582    HA   ARG  67           HA       ARG  67 210.331   9.504   5.131
  583   1HB   ARG  67          HB2       ARG  67 211.218  10.556   2.617
  584   2HB   ARG  67          HB1       ARG  67 211.427  11.791   3.851
  585   1HG   ARG  67          HG2       ARG  67 213.223  10.768   4.640
  586   2HG   ARG  67          HG1       ARG  67 212.330   9.260   4.848
  587   1HD   ARG  67          HD2       ARG  67 214.153   8.815   3.389
  588   2HD   ARG  67          HD1       ARG  67 212.685   8.820   2.412
  589    HE   ARG  67           HE       ARG  67 213.774  11.389   2.351
  590   1HH1  ARG  67          HH11      ARG  67 214.566   8.169   1.262
  591   2HH1  ARG  67          HH12      ARG  67 215.491   8.721  -0.095
  592   1HH2  ARG  67          HH21      ARG  67 214.987  12.117   0.567
  593   2HH2  ARG  67          HH22      ARG  67 215.730  10.961  -0.489
  594    H    LYS  68           HN       LYS  68 208.800  12.185   3.323
  595    HA   LYS  68           HA       LYS  68 208.748  13.982   5.492
  596   1HB   LYS  68          HB2       LYS  68 206.840  13.867   3.157
  597   2HB   LYS  68          HB1       LYS  68 207.173  15.263   4.174
  598   1HG   LYS  68          HG2       LYS  68 209.276  15.592   3.249
  599   2HG   LYS  68          HG1       LYS  68 209.361  13.943   2.621
  600   1HD   LYS  68          HD2       LYS  68 207.104  15.451   1.569
  601   2HD   LYS  68          HD1       LYS  68 208.665  16.183   1.182
  602   1HE   LYS  68          HE2       LYS  68 209.437  14.139   0.185
  603   2HE   LYS  68          HE1       LYS  68 207.998  13.287   0.736
  604   1HZ   LYS  68          HZ1       LYS  68 208.048  15.488  -1.256
  605   2HZ   LYS  68          HZ2       LYS  68 206.656  14.696  -0.710
  606   3HZ   LYS  68          HZ3       LYS  68 207.819  13.846  -1.596
  607    H    ARG  69           HN       ARG  69 206.368  11.662   4.277
  608    HA   ARG  69           HA       ARG  69 204.227  12.260   5.927
  609   1HB   ARG  69          HB2       ARG  69 205.098   9.493   5.088
  610   2HB   ARG  69          HB1       ARG  69 203.478   9.981   5.567
  611   1HG   ARG  69          HG2       ARG  69 204.553  11.564   3.371
  612   2HG   ARG  69          HG1       ARG  69 204.419   9.844   3.000
  613   1HD   ARG  69          HD2       ARG  69 202.193   9.922   2.924
  614   2HD   ARG  69          HD1       ARG  69 202.088  10.905   4.382
  615    HE   ARG  69           HE       ARG  69 202.110  11.833   1.647
  616   1HH1  ARG  69          HH11      ARG  69 202.552  12.691   5.002
  617   2HH1  ARG  69          HH12      ARG  69 202.261  14.377   4.738
  618   1HH2  ARG  69          HH21      ARG  69 201.725  14.050   1.301
  619   2HH2  ARG  69          HH22      ARG  69 201.790  15.148   2.638
  620    H    ILE  70           HN       ILE  70 207.261  10.824   6.721
  621    HA   ILE  70           HA       ILE  70 206.294  10.135   9.416
  622    HB   ILE  70           HB       ILE  70 208.890   9.121   9.186
  623   1HG1  ILE  70          HG12      ILE  70 207.366   8.111   6.806
  624   2HG1  ILE  70          HG11      ILE  70 208.424   9.510   6.659
  625   1HG2  ILE  70          HG21      ILE  70 206.475   8.276  10.056
  626   2HG2  ILE  70          HG22      ILE  70 207.905   7.251   9.929
  627   3HG2  ILE  70          HG23      ILE  70 206.700   7.249   8.641
  628   1HD1  ILE  70          HD11      ILE  70 209.648   7.224   7.993
  629   2HD1  ILE  70          HD12      ILE  70 210.269   8.281   6.721
  630   3HD1  ILE  70          HD13      ILE  70 209.193   6.944   6.312
  631    H    HIS  71           HN       HIS  71 207.825  12.538   7.798
  632    HA   HIS  71           HA       HIS  71 208.902  14.399   8.472
  633   1HB   HIS  71          HB2       HIS  71 208.921  13.208  11.253
  634   2HB   HIS  71          HB1       HIS  71 209.245  14.884  10.827
  635    HD1  HIS  71           HD1      HIS  71 207.310  16.407  11.025
  636    HD2  HIS  71           HD2      HIS  71 206.119  12.459  10.513
  637    HE1  HIS  71           HE1      HIS  71 204.803  16.432  11.208
  638    HE2  HIS  71           HE2      HIS  71 204.111  14.020  10.979
  639    H    LEU  72           HN       LEU  72 210.275  12.661   7.187
  640    HA   LEU  72           HA       LEU  72 212.891  12.539   8.545
  641   1HB   LEU  72          HB2       LEU  72 211.820  10.713   6.399
  642   2HB   LEU  72          HB1       LEU  72 213.422  10.618   7.107
  643    HG   LEU  72           HG       LEU  72 210.774   9.937   8.357
  644   1HD1  LEU  72          HD11      LEU  72 212.222   8.304   7.023
  645   2HD1  LEU  72          HD12      LEU  72 211.665   7.800   8.618
  646   3HD1  LEU  72          HD13      LEU  72 213.323   8.361   8.398
  647   1HD2  LEU  72          HD21      LEU  72 211.472  10.735  10.315
  648   2HD2  LEU  72          HD22      LEU  72 213.072  11.102   9.677
  649   3HD2  LEU  72          HD23      LEU  72 212.718   9.489  10.289
  650    H    ARG  73           HN       ARG  73 214.002  14.230   7.814
  651    HA   ARG  73           HA       ARG  73 213.601  15.362   5.219
  652   1HB   ARG  73          HB2       ARG  73 215.626  16.764   5.906
  653   2HB   ARG  73          HB1       ARG  73 214.157  16.923   6.856
  654   1HG   ARG  73          HG2       ARG  73 216.415  16.758   8.065
  655   2HG   ARG  73          HG1       ARG  73 215.057  15.816   8.674
  656   1HD   ARG  73          HD2       ARG  73 215.939  13.855   7.447
  657   2HD   ARG  73          HD1       ARG  73 217.323  14.828   6.959
  658    HE   ARG  73           HE       ARG  73 216.934  13.554   9.472
  659   1HH1  ARG  73          HH11      ARG  73 218.354  16.365   7.966
  660   2HH1  ARG  73          HH12      ARG  73 219.527  16.597   9.218
  661   1HH2  ARG  73          HH21      ARG  73 218.476  13.860  11.119
  662   2HH2  ARG  73          HH22      ARG  73 219.597  15.175  11.008
  663    H    ALA  74           HN       ALA  74 214.335  12.753   4.722
  664    HA   ALA  74           HA       ALA  74 215.688  11.609   3.286
  665   1HB   ALA  74          HB1       ALA  74 217.552  13.923   3.021
  666   2HB   ALA  74          HB2       ALA  74 215.936  14.012   2.316
  667   3HB   ALA  74          HB3       ALA  74 217.049  12.739   1.814
  668    H    GLU  75           HN       GLU  75 217.690  13.728   5.404
  669    HA   GLU  75           HA       GLU  75 219.851  11.941   5.547
  670   1HB   GLU  75          HB2       GLU  75 218.938  14.219   7.244
  671   2HB   GLU  75          HB1       GLU  75 220.251  13.197   7.799
  672   1HG   GLU  75          HG2       GLU  75 220.579  14.059   5.046
  673   2HG   GLU  75          HG1       GLU  75 220.479  15.403   6.183
  674    H    ASP  76           HN       ASP  76 216.803  12.002   7.198
  675    HA   ASP  76           HA       ASP  76 217.516  10.312   9.367
  676   1HB   ASP  76          HB2       ASP  76 215.265  11.747   8.651
  677   2HB   ASP  76          HB1       ASP  76 214.744  10.072   8.505
  678    H    ALA  77           HN       ALA  77 216.806   8.116   9.675
  679    HA   ALA  77           HA       ALA  77 217.432   6.511   7.364
  680   1HB   ALA  77          HB1       ALA  77 217.398   4.623   8.927
  681   2HB   ALA  77          HB2       ALA  77 216.844   5.704  10.207
  682   3HB   ALA  77          HB3       ALA  77 218.438   5.933   9.487
  683    H    LEU  78           HN       LEU  78 216.139   5.147   6.308
  684    HA   LEU  78           HA       LEU  78 213.525   4.408   7.171
  685   1HB   LEU  78          HB2       LEU  78 213.057   6.702   6.469
  686   2HB   LEU  78          HB1       LEU  78 213.756   6.374   4.896
  687    HG   LEU  78           HG       LEU  78 211.962   4.628   4.573
  688   1HD1  LEU  78          HD11      LEU  78 211.185   4.132   6.704
  689   2HD1  LEU  78          HD12      LEU  78 209.902   5.131   6.024
  690   3HD1  LEU  78          HD13      LEU  78 211.055   5.831   7.159
  691   1HD2  LEU  78          HD21      LEU  78 211.923   6.964   3.640
  692   2HD2  LEU  78          HD22      LEU  78 210.887   7.407   4.996
  693   3HD2  LEU  78          HD23      LEU  78 210.346   6.197   3.831
  694    H    PHE  79           HN       PHE  79 213.348   2.400   6.459
  695    HA   PHE  79           HA       PHE  79 214.319   1.770   3.751
  696   1HB   PHE  79          HB2       PHE  79 214.465  -0.062   6.159
  697   2HB   PHE  79          HB1       PHE  79 215.019  -0.438   4.532
  698    HD1  PHE  79           HD1      PHE  79 217.198   0.038   3.887
  699    HD2  PHE  79           HD2      PHE  79 215.602   1.862   7.387
  700    HE1  PHE  79           HE1      PHE  79 219.431   0.905   4.449
  701    HE2  PHE  79           HE2      PHE  79 217.833   2.734   7.953
  702    HZ   PHE  79           HZ       PHE  79 219.750   2.256   6.483
  703    H    PHE  80           HN       PHE  80 212.866   0.792   2.465
  704    HA   PHE  80           HA       PHE  80 210.226   0.309   3.512
  705   1HB   PHE  80          HB2       PHE  80 211.414   0.238   0.749
  706   2HB   PHE  80          HB1       PHE  80 209.781  -0.342   1.057
  707    HD1  PHE  80           HD1      PHE  80 209.217   1.793   3.254
  708    HD2  PHE  80           HD2      PHE  80 210.737   1.997  -0.717
  709    HE1  PHE  80           HE1      PHE  80 208.377   4.093   3.057
  710    HE2  PHE  80           HE2      PHE  80 209.894   4.297  -0.920
  711    HZ   PHE  80           HZ       PHE  80 208.714   5.348   0.969
  712    H    PHE  81           HN       PHE  81 209.111  -1.641   3.513
  713    HA   PHE  81           HA       PHE  81 210.670  -4.049   2.951
  714   1HB   PHE  81          HB2       PHE  81 209.182  -3.543   5.532
  715   2HB   PHE  81          HB1       PHE  81 209.932  -5.071   5.073
  716    HD1  PHE  81           HD1      PHE  81 210.542  -1.612   6.101
  717    HD2  PHE  81           HD2      PHE  81 212.311  -5.365   5.158
  718    HE1  PHE  81           HE1      PHE  81 212.678  -0.837   7.043
  719    HE2  PHE  81           HE2      PHE  81 214.450  -4.601   6.107
  720    HZ   PHE  81           HZ       PHE  81 214.644  -2.332   7.042
  721    H    VAL  82           HN       VAL  82 209.474  -4.668   1.227
  722    HA   VAL  82           HA       VAL  82 206.570  -4.853   1.492
  723    HB   VAL  82           HB       VAL  82 208.066  -5.629  -0.959
  724   1HG1  VAL  82          HG11      VAL  82 205.831  -6.182  -1.183
  725   2HG1  VAL  82          HG12      VAL  82 205.916  -4.596  -1.949
  726   3HG1  VAL  82          HG13      VAL  82 205.292  -4.750  -0.308
  727   1HG2  VAL  82          HG21      VAL  82 207.192  -2.814  -0.371
  728   2HG2  VAL  82          HG22      VAL  82 208.058  -3.392  -1.793
  729   3HG2  VAL  82          HG23      VAL  82 208.856  -3.375  -0.221
  730    H    ASN  83           HN       ASN  83 205.758  -6.677   2.285
  731    HA   ASN  83           HA       ASN  83 205.450  -8.888   2.745
  732   1HB   ASN  83          HB2       ASN  83 207.323  -9.399   0.419
  733   2HB   ASN  83          HB1       ASN  83 206.199 -10.550   1.135
  734   1HD2  ASN  83          HD21      ASN  83 205.305 -10.822  -0.960
  735   2HD2  ASN  83          HD22      ASN  83 204.190  -9.667  -1.597
  736    H    ASN  84           HN       ASN  84 207.573  -7.294   3.907
  737    HA   ASN  84           HA       ASN  84 209.134  -7.592   5.525
  738   1HB   ASN  84          HB2       ASN  84 208.074 -10.218   5.213
  739   2HB   ASN  84          HB1       ASN  84 209.820 -10.345   5.386
  740   1HD2  ASN  84          HD21      ASN  84 210.787  -9.723   7.297
  741   2HD2  ASN  84          HD22      ASN  84 209.885  -9.432   8.743
  742    H    VAL  85           HN       VAL  85 209.697  -7.236   2.602
  743    HA   VAL  85           HA       VAL  85 212.539  -7.988   2.717
  744    HB   VAL  85           HB       VAL  85 210.986  -7.969   0.156
  745   1HG1  VAL  85          HG11      VAL  85 213.163  -7.876  -0.486
  746   2HG1  VAL  85          HG12      VAL  85 213.015  -9.625  -0.295
  747   3HG1  VAL  85          HG13      VAL  85 213.744  -8.655   0.987
  748   1HG2  VAL  85          HG21      VAL  85 210.728 -10.340   0.251
  749   2HG2  VAL  85          HG22      VAL  85 210.068  -9.671   1.744
  750   3HG2  VAL  85          HG23      VAL  85 211.659 -10.434   1.747
  751    H    ILE  86           HN       ILE  86 213.967  -6.540   1.768
  752    HA   ILE  86           HA       ILE  86 212.964  -3.829   1.521
  753    HB   ILE  86           HB       ILE  86 215.800  -4.858   1.457
  754   1HG1  ILE  86          HG12      ILE  86 213.955  -3.979   3.629
  755   2HG1  ILE  86          HG11      ILE  86 215.176  -5.247   3.638
  756   1HG2  ILE  86          HG21      ILE  86 216.567  -2.713   1.297
  757   2HG2  ILE  86          HG22      ILE  86 215.137  -2.025   2.065
  758   3HG2  ILE  86          HG23      ILE  86 215.072  -2.540   0.381
  759   1HD1  ILE  86          HD11      ILE  86 216.925  -3.563   3.790
  760   2HD1  ILE  86          HD12      ILE  86 215.772  -3.418   5.115
  761   3HD1  ILE  86          HD13      ILE  86 215.704  -2.292   3.764
  762    HA   PRO  87           HA       PRO  87 212.968  -4.433  -2.954
  763   1HB   PRO  87          HB2       PRO  87 211.715  -2.116  -3.568
  764   2HB   PRO  87          HB1       PRO  87 210.846  -3.524  -2.949
  765   1HG   PRO  87          HG2       PRO  87 211.771  -1.077  -1.492
  766   2HG   PRO  87          HG1       PRO  87 210.221  -1.933  -1.373
  767   1HD   PRO  87          HD2       PRO  87 212.227  -2.249   0.433
  768   2HD   PRO  87          HD1       PRO  87 211.073  -3.537   0.037
  769    HA   PRO  88           HA       PRO  88 216.563  -2.073  -4.012
  770   1HB   PRO  88          HB2       PRO  88 215.800  -2.278  -6.832
  771   2HB   PRO  88          HB1       PRO  88 217.157  -3.025  -5.986
  772   1HG   PRO  88          HG2       PRO  88 215.060  -4.465  -6.881
  773   2HG   PRO  88          HG1       PRO  88 215.939  -4.892  -5.402
  774   1HD   PRO  88          HD2       PRO  88 213.325  -3.460  -5.702
  775   2HD   PRO  88          HD1       PRO  88 213.785  -4.742  -4.561
  776    H    THR  89           HN       THR  89 216.963   0.054  -4.100
  777    HA   THR  89           HA       THR  89 214.958   1.971  -4.409
  778    HB   THR  89           HB       THR  89 216.963   3.566  -4.723
  779    HG1  THR  89           HG1      THR  89 218.342   1.753  -5.410
  780   1HG2  THR  89          HG21      THR  89 217.153   1.885  -2.253
  781   2HG2  THR  89          HG22      THR  89 215.806   2.989  -2.536
  782   3HG2  THR  89          HG23      THR  89 217.453   3.612  -2.444
  783    H    SER  90           HN       SER  90 216.980   0.407  -6.750
  784    HA   SER  90           HA       SER  90 216.548   2.319  -8.844
  785   1HB   SER  90          HB2       SER  90 218.536   0.795  -8.737
  786   2HB   SER  90          HB1       SER  90 217.461  -0.555  -9.097
  787    HG   SER  90           HG       SER  90 218.545   0.398 -10.949
  788    H    ALA  91           HN       ALA  91 214.998  -0.613  -7.729
  789    HA   ALA  91           HA       ALA  91 213.435  -1.200  -9.975
  790   1HB   ALA  91          HB1       ALA  91 213.789  -2.552  -7.804
  791   2HB   ALA  91          HB2       ALA  91 212.226  -2.644  -8.616
  792   3HB   ALA  91          HB3       ALA  91 212.420  -1.625  -7.190
  793    H    THR  92           HN       THR  92 211.171  -0.821 -10.345
  794    HA   THR  92           HA       THR  92 210.349   1.848  -9.436
  795    HB   THR  92           HB       THR  92 208.995   1.986 -11.425
  796    HG1  THR  92           HG1      THR  92 208.254   0.211 -12.222
  797   1HG2  THR  92          HG21      THR  92 210.829   2.639 -12.474
  798   2HG2  THR  92          HG22      THR  92 210.990   0.989 -13.073
  799   3HG2  THR  92          HG23      THR  92 211.823   1.476 -11.598
  800    H    MET  93           HN       MET  93 208.278   2.232  -8.668
  801    HA   MET  93           HA       MET  93 207.124   0.441  -6.956
  802   1HB   MET  93          HB2       MET  93 205.831   2.697  -8.488
  803   2HB   MET  93          HB1       MET  93 205.023   1.823  -7.195
  804   1HG   MET  93          HG2       MET  93 207.485   3.528  -6.993
  805   2HG   MET  93          HG1       MET  93 205.892   3.853  -6.316
  806   1HE   MET  93          HE1       MET  93 205.722   0.745  -3.785
  807   2HE   MET  93          HE2       MET  93 205.747   0.334  -5.500
  808   3HE   MET  93          HE3       MET  93 204.774   1.691  -4.933
  809    H    GLY  94           HN       GLY  94 206.456   0.866 -10.390
  810   1HA   GLY  94          HA2       GLY  94 204.195  -0.797 -10.562
  811   2HA   GLY  94          HA1       GLY  94 205.296  -0.433 -11.885
  812    H    GLN  95           HN       GLN  95 207.651  -1.521 -10.833
  813    HA   GLN  95           HA       GLN  95 207.371  -4.223 -11.558
  814   1HB   GLN  95          HB2       GLN  95 209.600  -2.781 -10.113
  815   2HB   GLN  95          HB1       GLN  95 209.712  -4.448 -10.661
  816   1HG   GLN  95          HG2       GLN  95 209.567  -3.805 -12.935
  817   2HG   GLN  95          HG1       GLN  95 209.117  -2.155 -12.507
  818   1HE2  GLN  95          HE21      GLN  95 210.773  -1.105 -13.480
  819   2HE2  GLN  95          HE22      GLN  95 212.429  -1.274 -13.017
  820    H    LEU  96           HN       LEU  96 207.523  -2.593  -8.441
  821    HA   LEU  96           HA       LEU  96 207.600  -4.949  -6.861
  822   1HB   LEU  96          HB2       LEU  96 206.493  -2.241  -6.101
  823   2HB   LEU  96          HB1       LEU  96 206.977  -3.514  -4.997
  824    HG   LEU  96           HG       LEU  96 208.762  -1.817  -6.733
  825   1HD1  LEU  96          HD11      LEU  96 209.753  -1.178  -4.608
  826   2HD1  LEU  96          HD12      LEU  96 208.639  -2.243  -3.751
  827   3HD1  LEU  96          HD13      LEU  96 208.023  -0.834  -4.616
  828   1HD2  LEU  96          HD21      LEU  96 209.624  -4.120  -4.992
  829   2HD2  LEU  96          HD22      LEU  96 210.633  -3.125  -6.044
  830   3HD2  LEU  96          HD23      LEU  96 209.447  -4.227  -6.744
  831    H    TYR  97           HN       TYR  97 204.990  -2.832  -7.961
  832    HA   TYR  97           HA       TYR  97 202.870  -4.159  -6.687
  833   1HB   TYR  97          HB2       TYR  97 202.559  -1.953  -7.620
  834   2HB   TYR  97          HB1       TYR  97 202.923  -2.544  -9.240
  835    HD1  TYR  97           HD1      TYR  97 200.367  -1.905  -6.859
  836    HD2  TYR  97           HD2      TYR  97 201.341  -4.334 -10.212
  837    HE1  TYR  97           HE1      TYR  97 197.975  -2.358  -7.216
  838    HE2  TYR  97           HE2      TYR  97 198.951  -4.792 -10.582
  839    HH   TYR  97           HH       TYR  97 196.666  -4.452  -8.440
  840    H    GLN  98           HN       GLN  98 204.662  -4.874  -9.591
  841    HA   GLN  98           HA       GLN  98 202.706  -6.793 -10.515
  842   1HB   GLN  98          HB2       GLN  98 205.464  -6.124 -11.530
  843   2HB   GLN  98          HB1       GLN  98 204.345  -7.234 -12.308
  844   1HG   GLN  98          HG2       GLN  98 202.910  -4.868 -11.936
  845   2HG   GLN  98          HG1       GLN  98 204.508  -4.376 -12.494
  846   1HE2  GLN  98          HE21      GLN  98 204.608  -4.137 -14.594
  847   2HE2  GLN  98          HE22      GLN  98 203.757  -5.068 -15.774
  848    H    GLU  99           HN       GLU  99 205.606  -6.788  -8.599
  849    HA   GLU  99           HA       GLU  99 205.574  -9.736  -8.602
  850   1HB   GLU  99          HB2       GLU  99 207.857  -7.799  -8.354
  851   2HB   GLU  99          HB1       GLU  99 208.009  -9.497  -7.917
  852   1HG   GLU  99          HG2       GLU  99 206.920  -9.665 -10.401
  853   2HG   GLU  99          HG1       GLU  99 207.924  -8.222 -10.546
  854    H    HIS 100           HN       HIS 100 204.403  -7.446  -6.720
  855    HA   HIS 100           HA       HIS 100 204.975  -8.970  -4.306
  856   1HB   HIS 100          HB2       HIS 100 205.509  -6.005  -4.494
  857   2HB   HIS 100          HB1       HIS 100 205.474  -6.921  -2.992
  858    HD1  HIS 100           HD1      HIS 100 207.603  -8.020  -2.296
  859    HD2  HIS 100           HD2      HIS 100 207.663  -6.843  -6.282
  860    HE1  HIS 100           HE1      HIS 100 209.958  -8.423  -3.079
  861    HE2  HIS 100           HE2      HIS 100 209.992  -7.624  -5.469
  862    H    HIS 101           HN       HIS 101 202.678  -7.633  -6.207
  863    HA   HIS 101           HA       HIS 101 200.987  -6.431  -4.246
  864   1HB   HIS 101          HB2       HIS 101 199.273  -6.432  -5.959
  865   2HB   HIS 101          HB1       HIS 101 200.799  -5.916  -6.661
  866    HD1  HIS 101           HD1      HIS 101 198.040  -8.073  -7.318
  867    HD2  HIS 101           HD2      HIS 101 202.135  -8.285  -7.996
  868    HE1  HIS 101           HE1      HIS 101 198.337  -9.814  -9.109
  869    HE2  HIS 101           HE2      HIS 101 200.814  -9.862  -9.563
  870    H    GLU 102           HN       GLU 102 200.197  -7.565  -2.601
  871    HA   GLU 102           HA       GLU 102 199.774 -10.392  -2.736
  872   1HB   GLU 102          HB2       GLU 102 198.985  -8.381  -0.622
  873   2HB   GLU 102          HB1       GLU 102 198.881 -10.127  -0.440
  874   1HG   GLU 102          HG2       GLU 102 201.516  -9.499  -1.264
  875   2HG   GLU 102          HG1       GLU 102 201.084  -8.411   0.053
  876    H    GLU 103           HN       GLU 103 198.329  -9.836  -4.747
  877    HA   GLU 103           HA       GLU 103 196.275  -9.914  -5.716
  878   1HB   GLU 103          HB2       GLU 103 196.217 -11.647  -3.560
  879   2HB   GLU 103          HB1       GLU 103 194.768 -10.677  -3.333
  880   1HG   GLU 103          HG2       GLU 103 193.829 -11.380  -5.333
  881   2HG   GLU 103          HG1       GLU 103 195.378 -11.905  -5.989
  882    H    ASP 104           HN       ASP 104 193.724  -9.427  -4.781
  883    HA   ASP 104           HA       ASP 104 192.252  -7.733  -4.467
  884   1HB   ASP 104          HB2       ASP 104 194.112  -6.378  -2.559
  885   2HB   ASP 104          HB1       ASP 104 192.368  -6.573  -2.478
  886    H    PHE 105           HN       PHE 105 194.627  -7.383  -6.363
  887    HA   PHE 105           HA       PHE 105 195.478  -5.787  -7.749
  888   1HB   PHE 105          HB2       PHE 105 192.838  -4.502  -7.046
  889   2HB   PHE 105          HB1       PHE 105 193.893  -3.944  -8.340
  890    HD1  PHE 105           HD1      PHE 105 192.445  -7.193  -7.191
  891    HD2  PHE 105           HD2      PHE 105 193.281  -4.581 -10.445
  892    HE1  PHE 105           HE1      PHE 105 191.388  -8.788  -8.737
  893    HE2  PHE 105           HE2      PHE 105 192.224  -6.171 -11.997
  894    HZ   PHE 105           HZ       PHE 105 191.276  -8.277 -11.144
  895    H    PHE 106           HN       PHE 106 195.960  -5.509  -4.767
  896    HA   PHE 106           HA       PHE 106 196.678  -2.659  -4.762
  897   1HB   PHE 106          HB2       PHE 106 195.398  -4.351  -2.743
  898   2HB   PHE 106          HB1       PHE 106 196.756  -3.419  -2.119
  899    HD1  PHE 106           HD1      PHE 106 194.597  -2.300  -4.869
  900    HD2  PHE 106           HD2      PHE 106 195.490  -1.975  -0.720
  901    HE1  PHE 106           HE1      PHE 106 193.155  -0.297  -4.711
  902    HE2  PHE 106           HE2      PHE 106 194.053   0.017  -0.557
  903    HZ   PHE 106           HZ       PHE 106 192.885   0.856  -2.554
  904    H    LEU 107           HN       LEU 107 198.556  -2.082  -3.515
  905    HA   LEU 107           HA       LEU 107 200.619  -4.176  -3.378
  906   1HB   LEU 107          HB2       LEU 107 201.041  -2.882  -5.372
  907   2HB   LEU 107          HB1       LEU 107 200.832  -1.377  -4.505
  908    HG   LEU 107           HG       LEU 107 203.196  -1.809  -5.043
  909   1HD1  LEU 107          HD11      LEU 107 203.124  -2.141  -2.120
  910   2HD1  LEU 107          HD12      LEU 107 202.269  -0.769  -2.819
  911   3HD1  LEU 107          HD13      LEU 107 203.985  -0.977  -3.125
  912   1HD2  LEU 107          HD21      LEU 107 203.991  -3.750  -3.240
  913   2HD2  LEU 107          HD22      LEU 107 203.886  -3.930  -4.990
  914   3HD2  LEU 107          HD23      LEU 107 202.537  -4.430  -3.971
  915    H    TYR 108           HN       TYR 108 200.787  -4.399  -1.158
  916    HA   TYR 108           HA       TYR 108 200.821  -1.935   0.427
  917   1HB   TYR 108          HB2       TYR 108 199.919  -3.077   2.182
  918   2HB   TYR 108          HB1       TYR 108 199.347  -4.102   0.874
  919    HD1  TYR 108           HD1      TYR 108 201.840  -5.644   0.275
  920    HD2  TYR 108           HD2      TYR 108 200.059  -4.474   3.938
  921    HE1  TYR 108           HE1      TYR 108 202.883  -7.582   1.380
  922    HE2  TYR 108           HE2      TYR 108 201.098  -6.407   5.076
  923    HH   TYR 108           HH       TYR 108 202.541  -8.973   3.367
  924    H    ILE 109           HN       ILE 109 202.451  -1.291   1.677
  925    HA   ILE 109           HA       ILE 109 204.946  -2.853   1.625
  926    HB   ILE 109           HB       ILE 109 204.644   0.068   0.944
  927   1HG1  ILE 109          HG12      ILE 109 204.936  -2.411  -0.683
  928   2HG1  ILE 109          HG11      ILE 109 203.945  -0.989  -0.956
  929   1HG2  ILE 109          HG21      ILE 109 207.096  -0.143   0.329
  930   2HG2  ILE 109          HG22      ILE 109 207.091  -1.662   1.225
  931   3HG2  ILE 109          HG23      ILE 109 206.718  -0.147   2.050
  932   1HD1  ILE 109          HD11      ILE 109 206.929  -1.072  -1.315
  933   2HD1  ILE 109          HD12      ILE 109 205.842   0.254  -1.732
  934   3HD1  ILE 109          HD13      ILE 109 205.748  -1.274  -2.613
  935    H    ALA 110           HN       ALA 110 206.608  -1.934   3.138
  936    HA   ALA 110           HA       ALA 110 205.445  -0.516   5.442
  937   1HB   ALA 110          HB1       ALA 110 205.442  -2.727   6.222
  938   2HB   ALA 110          HB2       ALA 110 206.919  -2.020   6.879
  939   3HB   ALA 110          HB3       ALA 110 207.000  -3.082   5.475
  940    H    TYR 111           HN       TYR 111 207.103   0.409   6.866
  941    HA   TYR 111           HA       TYR 111 209.718   0.830   5.635
  942   1HB   TYR 111          HB2       TYR 111 209.565   3.223   5.604
  943   2HB   TYR 111          HB1       TYR 111 208.175   2.588   4.732
  944    HD1  TYR 111           HD1      TYR 111 205.965   3.024   5.478
  945    HD2  TYR 111           HD2      TYR 111 209.271   4.101   7.896
  946    HE1  TYR 111           HE1      TYR 111 204.456   4.292   6.943
  947    HE2  TYR 111           HE2      TYR 111 207.789   5.376   9.385
  948    HH   TYR 111           HH       TYR 111 204.915   6.433   8.651
  949    H    SER 112           HN       SER 112 211.304   0.943   7.103
  950    HA   SER 112           HA       SER 112 210.648   1.611   9.905
  951   1HB   SER 112          HB2       SER 112 210.866  -0.691  10.114
  952   2HB   SER 112          HB1       SER 112 212.062  -0.806   8.830
  953    HG   SER 112           HG       SER 112 212.412   0.107  11.482
  954    H    ASP 113           HN       ASP 113 212.675   2.101  11.177
  955    HA   ASP 113           HA       ASP 113 214.300   3.926   9.617
  956   1HB   ASP 113          HB2       ASP 113 215.071   4.791  11.728
  957   2HB   ASP 113          HB1       ASP 113 213.326   4.571  11.827
  958    H    GLU 114           HN       GLU 114 214.504   0.736  10.074
  959    HA   GLU 114           HA       GLU 114 217.449   0.760  10.030
  960   1HB   GLU 114          HB2       GLU 114 215.752  -1.385  11.313
  961   2HB   GLU 114          HB1       GLU 114 217.508  -1.306  11.288
  962   1HG   GLU 114          HG2       GLU 114 217.208   0.930  12.526
  963   2HG   GLU 114          HG1       GLU 114 215.571   0.357  12.844
  964    H    SER 115           HN       SER 115 218.217  -1.506   9.217
  965    HA   SER 115           HA       SER 115 217.058  -1.815   6.596
  966   1HB   SER 115          HB2       SER 115 218.917  -3.491   6.280
  967   2HB   SER 115          HB1       SER 115 219.449  -1.866   6.707
  968    HG   SER 115           HG       SER 115 219.051  -3.892   8.641
  969    H    VAL 116           HN       VAL 116 216.019  -2.982   9.411
  970    HA   VAL 116           HA       VAL 116 215.252  -5.581   8.290
  971    HB   VAL 116           HB       VAL 116 214.524  -5.464  11.030
  972   1HG1  VAL 116          HG11      VAL 116 216.289  -7.290  11.183
  973   2HG1  VAL 116          HG12      VAL 116 216.577  -7.003   9.468
  974   3HG1  VAL 116          HG13      VAL 116 214.987  -7.530  10.019
  975   1HG2  VAL 116          HG21      VAL 116 216.820  -5.255  12.049
  976   2HG2  VAL 116          HG22      VAL 116 216.094  -3.744  11.499
  977   3HG2  VAL 116          HG23      VAL 116 217.344  -4.526  10.530
  978    H    TYR 117           HN       TYR 117 213.042  -6.188   8.585
  979    HA   TYR 117           HA       TYR 117 211.210  -4.153   7.996
  980   1HB   TYR 117          HB2       TYR 117 210.626  -6.336   7.288
  981   2HB   TYR 117          HB1       TYR 117 210.835  -7.004   8.906
  982    HD1  TYR 117           HD1      TYR 117 208.935  -4.093   7.566
  983    HD2  TYR 117           HD2      TYR 117 208.806  -7.744   9.737
  984    HE1  TYR 117           HE1      TYR 117 206.561  -3.717   8.039
  985    HE2  TYR 117           HE2      TYR 117 206.430  -7.381  10.219
  986    HH   TYR 117           HH       TYR 117 204.862  -4.391   9.604
  987    H    GLY 118           HN       GLY 118 211.929  -2.704   9.816
  988   1HA   GLY 118          HA2       GLY 118 211.414  -1.602  11.760
  989   2HA   GLY 118          HA1       GLY 118 209.902  -2.502  11.748
  990    H    LEU 119           HN       LEU 119 210.149  -4.839  12.411
  991    HA   LEU 119           HA       LEU 119 210.319  -5.562  14.784
  992   1HB   LEU 119          HB2       LEU 119 211.687  -6.819  12.506
  993   2HB   LEU 119          HB1       LEU 119 212.201  -7.395  14.081
  994    HG   LEU 119           HG       LEU 119 209.656  -7.676  14.548
  995   1HD1  LEU 119          HD11      LEU 119 209.658  -7.797  11.535
  996   2HD1  LEU 119          HD12      LEU 119 208.968  -6.484  12.488
  997   3HD1  LEU 119          HD13      LEU 119 208.296  -8.110  12.612
  998   1HD2  LEU 119          HD21      LEU 119 211.499  -9.398  12.977
  999   2HD2  LEU 119          HD22      LEU 119 209.813  -9.895  13.118
 1000   3HD2  LEU 119          HD23      LEU 119 210.786  -9.657  14.569
  Start of MODEL   10
    1   1H    GLY   1          HT1       GLY   1 201.754 -17.563   9.193
    2   2H    GLY   1          HT2       GLY   1 200.995 -16.236   9.917
    3   3H    GLY   1          HT3       GLY   1 202.594 -16.615  10.315
    4   1HA   GLY   1          HA1       GLY   1 202.823 -16.333   7.674
    5   2HA   GLY   1          HA2       GLY   1 201.536 -15.188   8.021
    6    H    SER   2           HN       SER   2 202.797 -13.394   7.533
    7    HA   SER   2           HA       SER   2 204.559 -12.560   9.687
    8   1HB   SER   2          HB2       SER   2 206.240 -11.745   7.892
    9   2HB   SER   2          HB1       SER   2 206.265 -13.450   8.347
   10    HG   SER   2           HG       SER   2 204.909 -12.368   6.098
   11    H    MET   3           HN       MET   3 205.285 -10.241   9.308
   12    HA   MET   3           HA       MET   3 204.753  -8.058   9.048
   13   1HB   MET   3          HB2       MET   3 203.620  -9.264   6.566
   14   2HB   MET   3          HB1       MET   3 203.210  -7.599   6.950
   15   1HG   MET   3          HG2       MET   3 205.861  -7.477   7.279
   16   2HG   MET   3          HG1       MET   3 205.773  -8.772   6.085
   17   1HE   MET   3          HE1       MET   3 204.756  -5.169   7.000
   18   2HE   MET   3          HE2       MET   3 205.010  -4.331   5.469
   19   3HE   MET   3          HE3       MET   3 206.378  -5.073   6.307
   20    H    LYS   4           HN       LYS   4 203.369  -6.792  10.122
   21    HA   LYS   4           HA       LYS   4 200.614  -7.771  10.491
   22   1HB   LYS   4          HB2       LYS   4 202.304  -6.194  12.440
   23   2HB   LYS   4          HB1       LYS   4 200.646  -6.717  12.710
   24   1HG   LYS   4          HG2       LYS   4 201.775  -8.349  13.829
   25   2HG   LYS   4          HG1       LYS   4 201.665  -9.093  12.231
   26   1HD   LYS   4          HD2       LYS   4 203.922  -8.112  11.732
   27   2HD   LYS   4          HD1       LYS   4 204.021  -7.647  13.430
   28   1HE   LYS   4          HE2       LYS   4 204.294  -9.793  14.145
   29   2HE   LYS   4          HE1       LYS   4 203.340 -10.468  12.824
   30   1HZ   LYS   4          HZ1       LYS   4 205.320  -9.705  11.384
   31   2HZ   LYS   4          HZ2       LYS   4 205.471 -11.120  12.299
   32   3HZ   LYS   4          HZ3       LYS   4 206.178  -9.684  12.844
   33    H    PHE   5           HN       PHE   5 199.005  -6.437   9.911
   34    HA   PHE   5           HA       PHE   5 199.612  -3.578   9.566
   35   1HB   PHE   5          HB2       PHE   5 198.316  -5.456   7.604
   36   2HB   PHE   5          HB1       PHE   5 198.016  -3.723   7.543
   37    HD1  PHE   5           HD1      PHE   5 200.923  -6.049   7.806
   38    HD2  PHE   5           HD2      PHE   5 199.301  -2.506   6.101
   39    HE1  PHE   5           HE1      PHE   5 202.975  -5.741   6.495
   40    HE2  PHE   5           HE2      PHE   5 201.354  -2.198   4.780
   41    HZ   PHE   5           HZ       PHE   5 203.196  -3.816   4.978
   42    H    VAL   6           HN       VAL   6 197.433  -2.404   9.021
   43    HA   VAL   6           HA       VAL   6 195.247  -3.475  10.649
   44    HB   VAL   6           HB       VAL   6 195.033  -0.803  11.205
   45   1HG1  VAL   6          HG11      VAL   6 196.411  -2.915  12.855
   46   2HG1  VAL   6          HG12      VAL   6 194.675  -2.607  12.778
   47   3HG1  VAL   6          HG13      VAL   6 195.755  -1.399  13.474
   48   1HG2  VAL   6          HG21      VAL   6 197.868  -1.243  11.920
   49   2HG2  VAL   6          HG22      VAL   6 197.011   0.249  11.532
   50   3HG2  VAL   6          HG23      VAL   6 197.526  -0.832  10.241
   51    H    TYR   7           HN       TYR   7 195.850  -0.353   8.996
   52    HA   TYR   7           HA       TYR   7 193.302  -0.111   7.928
   53   1HB   TYR   7          HB2       TYR   7 195.132   1.652   7.898
   54   2HB   TYR   7          HB1       TYR   7 195.791   0.824   6.490
   55    HD1  TYR   7           HD1      TYR   7 195.151   1.585   4.396
   56    HD2  TYR   7           HD2      TYR   7 192.535   2.193   7.701
   57    HE1  TYR   7           HE1      TYR   7 193.610   2.834   2.944
   58    HE2  TYR   7           HE2      TYR   7 190.988   3.439   6.256
   59    HH   TYR   7           HH       TYR   7 191.807   4.648   3.295
   60    H    LYS   8           HN       LYS   8 196.206  -1.505   6.440
   61    HA   LYS   8           HA       LYS   8 194.903  -2.401   4.083
   62   1HB   LYS   8          HB2       LYS   8 197.341  -2.062   4.205
   63   2HB   LYS   8          HB1       LYS   8 197.464  -3.359   5.381
   64   1HG   LYS   8          HG2       LYS   8 198.130  -4.200   3.253
   65   2HG   LYS   8          HG1       LYS   8 196.584  -4.928   3.677
   66   1HD   LYS   8          HD2       LYS   8 195.623  -2.898   2.314
   67   2HD   LYS   8          HD1       LYS   8 197.231  -2.906   1.587
   68   1HE   LYS   8          HE2       LYS   8 195.603  -5.414   1.792
   69   2HE   LYS   8          HE1       LYS   8 195.367  -4.282   0.463
   70   1HZ   LYS   8          HZ1       LYS   8 198.002  -5.455   1.153
   71   2HZ   LYS   8          HZ2       LYS   8 197.594  -4.588  -0.241
   72   3HZ   LYS   8          HZ3       LYS   8 196.954  -6.133   0.010
   73    H    GLU   9           HN       GLU   9 195.563  -3.804   7.233
   74    HA   GLU   9           HA       GLU   9 194.802  -6.454   6.618
   75   1HB   GLU   9          HB2       GLU   9 195.476  -4.918   9.016
   76   2HB   GLU   9          HB1       GLU   9 194.299  -6.192   9.303
   77   1HG   GLU   9          HG2       GLU   9 196.793  -6.792   7.780
   78   2HG   GLU   9          HG1       GLU   9 196.836  -6.683   9.539
   79    H    GLU  10           HN       GLU  10 193.085  -4.021   8.555
   80    HA   GLU  10           HA       GLU  10 190.663  -5.268   8.830
   81   1HB   GLU  10          HB2       GLU  10 191.302  -2.334   8.513
   82   2HB   GLU  10          HB1       GLU  10 189.700  -2.923   8.937
   83   1HG   GLU  10          HG2       GLU  10 190.926  -4.150  10.857
   84   2HG   GLU  10          HG1       GLU  10 192.223  -3.000  10.532
   85    H    HIS  11           HN       HIS  11 191.390  -2.827   6.318
   86    HA   HIS  11           HA       HIS  11 189.082  -2.972   4.846
   87   1HB   HIS  11          HB2       HIS  11 191.913  -2.361   4.184
   88   2HB   HIS  11          HB1       HIS  11 190.818  -2.641   2.834
   89    HD1  HIS  11           HD1      HIS  11 189.290  -0.757   2.192
   90    HD2  HIS  11           HD2      HIS  11 191.127  -0.139   5.867
   91    HE1  HIS  11           HE1      HIS  11 188.713   1.601   2.845
   92    HE2  HIS  11           HE2      HIS  11 189.744   1.914   5.121
   93    HA   PRO  12           HA       PRO  12 189.035  -7.464   3.994
   94   1HB   PRO  12          HB2       PRO  12 186.917  -6.699   2.141
   95   2HB   PRO  12          HB1       PRO  12 186.847  -7.771   3.536
   96   1HG   PRO  12          HG2       PRO  12 185.935  -5.074   3.344
   97   2HG   PRO  12          HG1       PRO  12 185.884  -6.143   4.748
   98   1HD   PRO  12          HD2       PRO  12 187.461  -3.841   4.463
   99   2HD   PRO  12          HD1       PRO  12 187.631  -5.089   5.708
  100    H    PHE  13           HN       PHE  13 188.884  -8.690   1.860
  101    HA   PHE  13           HA       PHE  13 190.917  -7.723   0.130
  102   1HB   PHE  13          HB2       PHE  13 190.285 -10.176   0.704
  103   2HB   PHE  13          HB1       PHE  13 189.097 -10.000  -0.583
  104    HD1  PHE  13           HD1      PHE  13 192.185 -11.270   0.074
  105    HD2  PHE  13           HD2      PHE  13 190.250  -8.740  -2.750
  106    HE1  PHE  13           HE1      PHE  13 193.922 -11.801  -1.585
  107    HE2  PHE  13           HE2      PHE  13 191.982  -9.267  -4.412
  108    HZ   PHE  13           HZ       PHE  13 193.824 -10.800  -3.834
  109    H    GLU  14           HN       GLU  14 187.422  -8.192  -0.252
  110    HA   GLU  14           HA       GLU  14 187.204  -7.417  -2.913
  111   1HB   GLU  14          HB2       GLU  14 185.438  -8.003  -0.780
  112   2HB   GLU  14          HB1       GLU  14 184.931  -6.457  -1.448
  113   1HG   GLU  14          HG2       GLU  14 184.168  -7.381  -3.335
  114   2HG   GLU  14          HG1       GLU  14 185.528  -8.496  -3.458
  115    H    LYS  15           HN       LYS  15 187.927  -5.533  -0.151
  116    HA   LYS  15           HA       LYS  15 187.090  -3.026  -1.314
  117   1HB   LYS  15          HB2       LYS  15 188.845  -3.383   1.110
  118   2HB   LYS  15          HB1       LYS  15 187.803  -2.025   0.711
  119   1HG   LYS  15          HG2       LYS  15 186.590  -4.709   1.094
  120   2HG   LYS  15          HG1       LYS  15 187.093  -3.770   2.496
  121   1HD   LYS  15          HD2       LYS  15 185.426  -2.293   2.264
  122   2HD   LYS  15          HD1       LYS  15 185.589  -2.251   0.505
  123   1HE   LYS  15          HE2       LYS  15 184.341  -4.271   0.275
  124   2HE   LYS  15          HE1       LYS  15 184.324  -4.520   2.019
  125   1HZ   LYS  15          HZ1       LYS  15 183.202  -2.011   1.072
  126   2HZ   LYS  15          HZ2       LYS  15 182.665  -3.040   2.302
  127   3HZ   LYS  15          HZ3       LYS  15 182.321  -3.402   0.686
  128    H    ARG  16           HN       ARG  16 190.225  -4.420  -0.315
  129    HA   ARG  16           HA       ARG  16 191.798  -2.426  -1.515
  130   1HB   ARG  16          HB2       ARG  16 193.625  -4.187  -1.446
  131   2HB   ARG  16          HB1       ARG  16 192.864  -3.800   0.090
  132   1HG   ARG  16          HG2       ARG  16 191.538  -5.818  -0.017
  133   2HG   ARG  16          HG1       ARG  16 192.188  -6.189  -1.615
  134   1HD   ARG  16          HD2       ARG  16 194.349  -6.581  -0.751
  135   2HD   ARG  16          HD1       ARG  16 193.947  -5.845   0.796
  136    HE   ARG  16           HE       ARG  16 193.262  -8.528  -0.100
  137   1HH1  ARG  16          HH11      ARG  16 192.887  -6.036   2.324
  138   2HH1  ARG  16          HH12      ARG  16 192.355  -7.138   3.547
  139   1HH2  ARG  16          HH21      ARG  16 192.559  -9.969   1.514
  140   2HH2  ARG  16          HH22      ARG  16 192.168  -9.366   3.089
  141    H    ARG  17           HN       ARG  17 190.273  -5.287  -2.781
  142    HA   ARG  17           HA       ARG  17 191.701  -5.291  -5.273
  143   1HB   ARG  17          HB2       ARG  17 190.436  -7.238  -4.061
  144   2HB   ARG  17          HB1       ARG  17 189.034  -6.599  -4.907
  145   1HG   ARG  17          HG2       ARG  17 190.497  -6.774  -7.016
  146   2HG   ARG  17          HG1       ARG  17 191.513  -7.832  -6.037
  147   1HD   ARG  17          HD2       ARG  17 189.299  -9.058  -5.502
  148   2HD   ARG  17          HD1       ARG  17 188.680  -8.218  -6.922
  149    HE   ARG  17           HE       ARG  17 191.064  -9.429  -7.665
  150   1HH1  ARG  17          HH11      ARG  17 187.904 -10.404  -6.553
  151   2HH1  ARG  17          HH12      ARG  17 187.938 -11.920  -7.390
  152   1HH2  ARG  17          HH21      ARG  17 191.113 -11.422  -8.769
  153   2HH2  ARG  17          HH22      ARG  17 189.761 -12.498  -8.648
  154    H    SER  18           HN       SER  18 188.381  -4.454  -4.299
  155    HA   SER  18           HA       SER  18 187.374  -3.589  -6.687
  156   1HB   SER  18          HB2       SER  18 185.850  -3.684  -4.906
  157   2HB   SER  18          HB1       SER  18 186.870  -2.696  -3.860
  158    HG   SER  18           HG       SER  18 184.975  -1.641  -4.832
  159    H    GLU  19           HN       GLU  19 188.799  -1.443  -4.221
  160    HA   GLU  19           HA       GLU  19 188.870   0.884  -5.702
  161   1HB   GLU  19          HB2       GLU  19 189.902  -0.031  -3.233
  162   2HB   GLU  19          HB1       GLU  19 191.224   0.749  -4.087
  163   1HG   GLU  19          HG2       GLU  19 190.190   2.800  -4.098
  164   2HG   GLU  19          HG1       GLU  19 188.580   2.103  -3.913
  165    H    GLY  20           HN       GLY  20 191.343  -1.650  -5.470
  166   1HA   GLY  20          HA2       GLY  20 193.284  -0.412  -7.069
  167   2HA   GLY  20          HA1       GLY  20 193.137  -2.144  -6.811
  168    H    GLU  21           HN       GLU  21 190.634  -2.594  -7.964
  169    HA   GLU  21           HA       GLU  21 191.324  -2.879 -10.656
  170   1HB   GLU  21          HB2       GLU  21 189.769  -4.410  -9.863
  171   2HB   GLU  21          HB1       GLU  21 188.771  -3.169  -9.118
  172   1HG   GLU  21          HG2       GLU  21 187.684  -2.687 -11.046
  173   2HG   GLU  21          HG1       GLU  21 189.061  -3.110 -12.061
  174    H    LYS  22           HN       LYS  22 190.086  -0.154  -8.992
  175    HA   LYS  22           HA       LYS  22 189.053   1.024 -11.459
  176   1HB   LYS  22          HB2       LYS  22 187.518   1.526  -9.826
  177   2HB   LYS  22          HB1       LYS  22 188.729   1.601  -8.556
  178   1HG   LYS  22          HG2       LYS  22 188.821   3.711 -10.631
  179   2HG   LYS  22          HG1       LYS  22 187.477   3.752  -9.487
  180   1HD   LYS  22          HD2       LYS  22 189.716   3.253  -7.914
  181   2HD   LYS  22          HD1       LYS  22 190.265   4.442  -9.098
  182   1HE   LYS  22          HE2       LYS  22 188.138   5.735  -8.517
  183   2HE   LYS  22          HE1       LYS  22 188.015   4.665  -7.121
  184   1HZ   LYS  22          HZ1       LYS  22 190.465   5.415  -6.755
  185   2HZ   LYS  22          HZ2       LYS  22 189.191   6.409  -6.257
  186   3HZ   LYS  22          HZ3       LYS  22 190.008   6.743  -7.700
  187    H    ILE  23           HN       ILE  23 191.366   1.764  -8.871
  188    HA   ILE  23           HA       ILE  23 192.481   4.071  -9.983
  189    HB   ILE  23           HB       ILE  23 193.579   1.971  -8.135
  190   1HG1  ILE  23          HG12      ILE  23 192.977   4.830  -7.472
  191   2HG1  ILE  23          HG11      ILE  23 191.680   3.642  -7.556
  192   1HG2  ILE  23          HG21      ILE  23 195.528   3.174  -7.732
  193   2HG2  ILE  23          HG22      ILE  23 194.916   4.618  -8.530
  194   3HG2  ILE  23          HG23      ILE  23 195.376   3.211  -9.487
  195   1HD1  ILE  23          HD11      ILE  23 192.116   3.205  -5.432
  196   2HD1  ILE  23          HD12      ILE  23 193.623   4.119  -5.479
  197   3HD1  ILE  23          HD13      ILE  23 193.600   2.430  -5.985
  198    H    ARG  24           HN       ARG  24 192.861   0.729 -10.787
  199    HA   ARG  24           HA       ARG  24 195.312   1.081 -12.270
  200   1HB   ARG  24          HB2       ARG  24 193.384  -1.234 -12.008
  201   2HB   ARG  24          HB1       ARG  24 194.865  -1.297 -12.960
  202   1HG   ARG  24          HG2       ARG  24 194.765  -0.720 -10.007
  203   2HG   ARG  24          HG1       ARG  24 195.070  -2.309 -10.708
  204   1HD   ARG  24          HD2       ARG  24 196.735   0.130 -11.296
  205   2HD   ARG  24          HD1       ARG  24 197.110  -1.020 -10.014
  206    HE   ARG  24           HE       ARG  24 196.902  -2.602 -12.185
  207   1HH1  ARG  24          HH11      ARG  24 198.691   0.332 -11.570
  208   2HH1  ARG  24          HH12      ARG  24 199.973  -0.073 -12.662
  209   1HH2  ARG  24          HH21      ARG  24 198.588  -3.135 -13.620
  210   2HH2  ARG  24          HH22      ARG  24 199.914  -2.042 -13.825
  211    H    LYS  25           HN       LYS  25 191.880   0.618 -12.969
  212    HA   LYS  25           HA       LYS  25 192.140   0.563 -15.794
  213   1HB   LYS  25          HB2       LYS  25 189.810   1.207 -13.990
  214   2HB   LYS  25          HB1       LYS  25 189.680   0.982 -15.733
  215   1HG   LYS  25          HG2       LYS  25 190.390  -1.307 -15.544
  216   2HG   LYS  25          HG1       LYS  25 190.723  -1.097 -13.822
  217   1HD   LYS  25          HD2       LYS  25 188.617  -2.221 -14.041
  218   2HD   LYS  25          HD1       LYS  25 188.299  -0.572 -13.501
  219   1HE   LYS  25          HE2       LYS  25 186.896  -0.359 -15.211
  220   2HE   LYS  25          HE1       LYS  25 188.287  -0.450 -16.291
  221   1HZ   LYS  25          HZ1       LYS  25 187.817  -2.563 -16.862
  222   2HZ   LYS  25          HZ2       LYS  25 186.246  -2.137 -16.402
  223   3HZ   LYS  25          HZ3       LYS  25 187.241  -2.987 -15.329
  224    H    LYS  26           HN       LYS  26 191.401   3.086 -13.452
  225    HA   LYS  26           HA       LYS  26 191.013   5.079 -15.458
  226   1HB   LYS  26          HB2       LYS  26 190.005   4.890 -13.060
  227   2HB   LYS  26          HB1       LYS  26 191.482   5.723 -12.590
  228   1HG   LYS  26          HG2       LYS  26 190.928   7.634 -13.762
  229   2HG   LYS  26          HG1       LYS  26 189.811   6.768 -14.818
  230   1HD   LYS  26          HD2       LYS  26 188.682   8.250 -13.193
  231   2HD   LYS  26          HD1       LYS  26 188.207   6.562 -13.047
  232   1HE   LYS  26          HE2       LYS  26 190.146   6.549 -11.246
  233   2HE   LYS  26          HE1       LYS  26 189.781   8.272 -11.193
  234   1HZ   LYS  26          HZ1       LYS  26 187.366   7.475 -10.943
  235   2HZ   LYS  26          HZ2       LYS  26 188.391   7.391  -9.599
  236   3HZ   LYS  26          HZ3       LYS  26 188.051   5.994 -10.490
  237    H    TYR  27           HN       TYR  27 193.536   4.201 -13.173
  238    HA   TYR  27           HA       TYR  27 195.352   6.014 -14.621
  239   1HB   TYR  27          HB2       TYR  27 196.121   5.357 -11.857
  240   2HB   TYR  27          HB1       TYR  27 196.208   6.887 -12.716
  241    HD1  TYR  27           HD1      TYR  27 193.428   7.515 -13.348
  242    HD2  TYR  27           HD2      TYR  27 195.061   5.702  -9.858
  243    HE1  TYR  27           HE1      TYR  27 191.541   8.356 -12.030
  244    HE2  TYR  27           HE2      TYR  27 193.164   6.532  -8.534
  245    HH   TYR  27           HH       TYR  27 191.489   8.269  -8.609
  246    HA   PRO  28           HA       PRO  28 197.070   1.819 -15.134
  247   1HB   PRO  28          HB2       PRO  28 198.071   2.828 -17.672
  248   2HB   PRO  28          HB1       PRO  28 196.898   1.545 -17.373
  249   1HG   PRO  28          HG2       PRO  28 196.223   3.930 -18.487
  250   2HG   PRO  28          HG1       PRO  28 195.105   2.975 -17.498
  251   1HD   PRO  28          HD2       PRO  28 196.750   5.358 -16.729
  252   2HD   PRO  28          HD1       PRO  28 195.059   4.978 -16.328
  253    H    ASP  29           HN       ASP  29 198.468   4.965 -15.126
  254    HA   ASP  29           HA       ASP  29 201.192   3.908 -15.193
  255   1HB   ASP  29          HB2       ASP  29 200.402   6.032 -16.446
  256   2HB   ASP  29          HB1       ASP  29 200.479   6.811 -14.868
  257    H    ARG  30           HN       ARG  30 198.837   4.412 -12.918
  258    HA   ARG  30           HA       ARG  30 200.792   5.049 -10.809
  259   1HB   ARG  30          HB2       ARG  30 197.782   5.322 -10.829
  260   2HB   ARG  30          HB1       ARG  30 198.794   5.613  -9.423
  261   1HG   ARG  30          HG2       ARG  30 199.828   7.148 -11.567
  262   2HG   ARG  30          HG1       ARG  30 198.083   7.398 -11.503
  263   1HD   ARG  30          HD2       ARG  30 198.220   7.991  -9.162
  264   2HD   ARG  30          HD1       ARG  30 199.952   7.651  -9.155
  265    HE   ARG  30           HE       ARG  30 199.038   9.679 -11.025
  266   1HH1  ARG  30          HH11      ARG  30 200.457   8.982  -7.909
  267   2HH1  ARG  30          HH12      ARG  30 201.136  10.563  -7.729
  268   1HH2  ARG  30          HH21      ARG  30 199.929  11.755 -10.784
  269   2HH2  ARG  30          HH22      ARG  30 200.835  12.138  -9.358
  270    H    VAL  31           HN       VAL  31 200.610   3.893  -8.790
  271    HA   VAL  31           HA       VAL  31 199.276   1.286  -9.017
  272    HB   VAL  31           HB       VAL  31 201.135   0.160  -7.942
  273   1HG1  VAL  31          HG11      VAL  31 201.009   0.654 -10.489
  274   2HG1  VAL  31          HG12      VAL  31 202.468  -0.062  -9.803
  275   3HG1  VAL  31          HG13      VAL  31 202.422   1.661 -10.176
  276   1HG2  VAL  31          HG21      VAL  31 203.310   1.872  -8.142
  277   2HG2  VAL  31          HG22      VAL  31 202.516   1.344  -6.657
  278   3HG2  VAL  31          HG23      VAL  31 202.041   2.864  -7.422
  279    HA   PRO  32           HA       PRO  32 197.624   2.915  -5.147
  280   1HB   PRO  32          HB2       PRO  32 196.074   0.702  -4.613
  281   2HB   PRO  32          HB1       PRO  32 195.567   2.050  -5.635
  282   1HG   PRO  32          HG2       PRO  32 196.638  -0.621  -6.414
  283   2HG   PRO  32          HG1       PRO  32 195.366   0.344  -7.179
  284   1HD   PRO  32          HD2       PRO  32 197.875   0.181  -8.176
  285   2HD   PRO  32          HD1       PRO  32 196.879   1.640  -8.337
  286    H    VAL  33           HN       VAL  33 199.168   2.887  -3.615
  287    HA   VAL  33           HA       VAL  33 200.146   0.280  -2.682
  288    HB   VAL  33           HB       VAL  33 201.426   3.006  -2.469
  289   1HG1  VAL  33          HG11      VAL  33 201.903   1.603  -0.498
  290   2HG1  VAL  33          HG12      VAL  33 203.335   1.928  -1.473
  291   3HG1  VAL  33          HG13      VAL  33 202.543   0.359  -1.569
  292   1HG2  VAL  33          HG21      VAL  33 202.248   0.558  -4.046
  293   2HG2  VAL  33          HG22      VAL  33 203.088   2.114  -3.999
  294   3HG2  VAL  33          HG23      VAL  33 201.479   2.006  -4.710
  295    H    ILE  34           HN       ILE  34 200.267  -0.208  -0.522
  296    HA   ILE  34           HA       ILE  34 198.826   1.589   1.312
  297    HB   ILE  34           HB       ILE  34 198.879  -1.417   1.627
  298   1HG1  ILE  34          HG12      ILE  34 197.755  -0.900  -0.486
  299   2HG1  ILE  34          HG11      ILE  34 196.558  -1.359   0.722
  300   1HG2  ILE  34          HG21      ILE  34 197.397   0.865   2.894
  301   2HG2  ILE  34          HG22      ILE  34 198.354  -0.397   3.670
  302   3HG2  ILE  34          HG23      ILE  34 196.782  -0.784   2.970
  303   1HD1  ILE  34          HD11      ILE  34 196.128   0.683  -0.807
  304   2HD1  ILE  34          HD12      ILE  34 197.214   1.519   0.303
  305   3HD1  ILE  34          HD13      ILE  34 195.730   0.779   0.910
  306    H    VAL  35           HN       VAL  35 200.988   2.461   1.640
  307    HA   VAL  35           HA       VAL  35 203.112   0.997   2.743
  308    HB   VAL  35           HB       VAL  35 202.499   3.914   3.214
  309   1HG1  VAL  35          HG11      VAL  35 204.884   2.192   3.676
  310   2HG1  VAL  35          HG12      VAL  35 204.211   3.483   4.676
  311   3HG1  VAL  35          HG13      VAL  35 205.120   3.880   3.216
  312   1HG2  VAL  35          HG21      VAL  35 203.545   4.454   1.219
  313   2HG2  VAL  35          HG22      VAL  35 202.623   3.015   0.784
  314   3HG2  VAL  35          HG23      VAL  35 204.353   2.890   1.103
  315    H    GLU  36           HN       GLU  36 203.928   0.984   4.917
  316    HA   GLU  36           HA       GLU  36 202.037   1.580   7.059
  317   1HB   GLU  36          HB2       GLU  36 202.385  -1.029   6.004
  318   2HB   GLU  36          HB1       GLU  36 203.155  -1.008   7.580
  319   1HG   GLU  36          HG2       GLU  36 200.791   0.281   8.065
  320   2HG   GLU  36          HG1       GLU  36 200.331  -0.929   6.872
  321    H    LYS  37           HN       LYS  37 203.017   1.486   9.190
  322    HA   LYS  37           HA       LYS  37 205.903   1.981   9.053
  323   1HB   LYS  37          HB2       LYS  37 204.204   3.670  10.065
  324   2HB   LYS  37          HB1       LYS  37 204.166   2.575  11.440
  325   1HG   LYS  37          HG2       LYS  37 206.885   3.059  10.807
  326   2HG   LYS  37          HG1       LYS  37 206.051   4.612  10.835
  327   1HD   LYS  37          HD2       LYS  37 206.847   4.165  13.046
  328   2HD   LYS  37          HD1       LYS  37 205.093   3.972  13.052
  329   1HE   LYS  37          HE2       LYS  37 205.209   1.691  13.276
  330   2HE   LYS  37          HE1       LYS  37 206.800   1.597  12.520
  331   1HZ   LYS  37          HZ1       LYS  37 207.269   1.199  14.723
  332   2HZ   LYS  37          HZ2       LYS  37 206.103   2.281  15.297
  333   3HZ   LYS  37          HZ3       LYS  37 207.542   2.866  14.629
  334    H    ALA  38           HN       ALA  38 206.587  -0.122   9.027
  335    HA   ALA  38           HA       ALA  38 205.955  -2.389  10.200
  336   1HB   ALA  38          HB1       ALA  38 208.757  -1.351  10.489
  337   2HB   ALA  38          HB2       ALA  38 208.065  -1.883   8.950
  338   3HB   ALA  38          HB3       ALA  38 208.230  -3.022  10.286
  339    HA   PRO  39           HA       PRO  39 205.562  -2.231  14.573
  340   1HB   PRO  39          HB2       PRO  39 206.569  -4.708  15.197
  341   2HB   PRO  39          HB1       PRO  39 204.931  -4.427  14.584
  342   1HG   PRO  39          HG2       PRO  39 207.393  -5.251  13.110
  343   2HG   PRO  39          HG1       PRO  39 205.743  -5.872  12.955
  344   1HD   PRO  39          HD2       PRO  39 206.751  -4.156  11.187
  345   2HD   PRO  39          HD1       PRO  39 205.051  -4.050  11.699
  346    H    LYS  40           HN       LYS  40 206.749  -1.696  16.328
  347    HA   LYS  40           HA       LYS  40 208.517  -1.161  17.633
  348   1HB   LYS  40          HB2       LYS  40 209.940  -3.272  16.009
  349   2HB   LYS  40          HB1       LYS  40 210.549  -2.554  17.494
  350   1HG   LYS  40          HG2       LYS  40 209.040  -3.661  18.815
  351   2HG   LYS  40          HG1       LYS  40 207.857  -3.819  17.517
  352   1HD   LYS  40          HD2       LYS  40 208.801  -5.718  16.699
  353   2HD   LYS  40          HD1       LYS  40 210.435  -5.231  17.162
  354   1HE   LYS  40          HE2       LYS  40 209.334  -5.534  19.597
  355   2HE   LYS  40          HE1       LYS  40 208.383  -6.709  18.688
  356   1HZ   LYS  40          HZ1       LYS  40 211.335  -6.629  18.972
  357   2HZ   LYS  40          HZ2       LYS  40 210.525  -7.656  17.900
  358   3HZ   LYS  40          HZ3       LYS  40 210.280  -7.811  19.566
  359    H    ALA  41           HN       ALA  41 208.476  -0.459  14.368
  360    HA   ALA  41           HA       ALA  41 210.982   0.512  13.766
  361   1HB   ALA  41          HB1       ALA  41 208.572   2.076  12.960
  362   2HB   ALA  41          HB2       ALA  41 208.808   0.442  12.329
  363   3HB   ALA  41          HB3       ALA  41 210.021   1.690  12.037
  364    H    ARG  42           HN       ARG  42 212.107   2.289  14.338
  365    HA   ARG  42           HA       ARG  42 211.142   3.800  16.617
  366   1HB   ARG  42          HB2       ARG  42 213.838   4.189  15.353
  367   2HB   ARG  42          HB1       ARG  42 213.366   4.416  17.031
  368   1HG   ARG  42          HG2       ARG  42 213.196   2.029  17.350
  369   2HG   ARG  42          HG1       ARG  42 213.544   1.749  15.642
  370   1HD   ARG  42          HD2       ARG  42 215.676   1.550  16.290
  371   2HD   ARG  42          HD1       ARG  42 215.657   3.307  16.429
  372    HE   ARG  42           HE       ARG  42 214.751   2.501  18.840
  373   1HH1  ARG  42          HH11      ARG  42 217.555   1.635  16.951
  374   2HH1  ARG  42          HH12      ARG  42 218.536   1.291  18.336
  375   1HH2  ARG  42          HH21      ARG  42 216.041   2.049  20.662
  376   2HH2  ARG  42          HH22      ARG  42 217.676   1.525  20.442
  377    H    ILE  43           HN       ILE  43 209.888   4.239  14.180
  378    HA   ILE  43           HA       ILE  43 210.565   7.055  13.650
  379    HB   ILE  43           HB       ILE  43 209.392   6.498  11.389
  380   1HG1  ILE  43          HG12      ILE  43 210.460   3.796  12.211
  381   2HG1  ILE  43          HG11      ILE  43 208.760   4.211  12.025
  382   1HG2  ILE  43          HG21      ILE  43 212.206   5.987  12.214
  383   2HG2  ILE  43          HG22      ILE  43 211.548   7.268  11.196
  384   3HG2  ILE  43          HG23      ILE  43 211.713   5.631  10.560
  385   1HD1  ILE  43          HD11      ILE  43 209.727   4.917   9.610
  386   2HD1  ILE  43          HD12      ILE  43 209.017   3.346   9.996
  387   3HD1  ILE  43          HD13      ILE  43 210.772   3.554  10.013
  388    H    GLY  44           HN       GLY  44 208.666   8.230  12.674
  389   1HA   GLY  44          HA2       GLY  44 206.475   8.092  14.478
  390   2HA   GLY  44          HA1       GLY  44 206.583   9.125  13.060
  391    H    ASP  45           HN       ASP  45 204.384   7.404  14.218
  392    HA   ASP  45           HA       ASP  45 203.957   5.341  12.256
  393   1HB   ASP  45          HB2       ASP  45 201.892   4.912  13.412
  394   2HB   ASP  45          HB1       ASP  45 203.148   5.194  14.615
  395    H    LEU  46           HN       LEU  46 202.871   5.471  10.402
  396    HA   LEU  46           HA       LEU  46 201.901   8.067   9.550
  397   1HB   LEU  46          HB2       LEU  46 203.042   5.766   8.290
  398   2HB   LEU  46          HB1       LEU  46 201.495   6.118   7.538
  399    HG   LEU  46           HG       LEU  46 203.307   8.415   7.946
  400   1HD1  LEU  46          HD11      LEU  46 204.409   7.784   5.719
  401   2HD1  LEU  46          HD12      LEU  46 203.909   6.136   6.096
  402   3HD1  LEU  46          HD13      LEU  46 204.996   7.000   7.185
  403   1HD2  LEU  46          HD21      LEU  46 201.400   7.461   5.825
  404   2HD2  LEU  46          HD22      LEU  46 202.452   8.860   5.600
  405   3HD2  LEU  46          HD23      LEU  46 201.247   8.862   6.887
  406    H    ASP  47           HN       ASP  47 199.841   8.547   8.937
  407    HA   ASP  47           HA       ASP  47 197.770   6.656   9.804
  408   1HB   ASP  47          HB2       ASP  47 196.281   8.717   9.685
  409   2HB   ASP  47          HB1       ASP  47 197.525   8.736  10.931
  410    H    LYS  48           HN       LYS  48 199.149   8.174   7.058
  411    HA   LYS  48           HA       LYS  48 196.851   7.576   5.353
  412   1HB   LYS  48          HB2       LYS  48 197.838   9.738   4.984
  413   2HB   LYS  48          HB1       LYS  48 199.447   9.043   4.861
  414   1HG   LYS  48          HG2       LYS  48 198.165   7.734   2.859
  415   2HG   LYS  48          HG1       LYS  48 197.331   9.288   2.844
  416   1HD   LYS  48          HD2       LYS  48 199.709  10.302   2.916
  417   2HD   LYS  48          HD1       LYS  48 200.238   8.700   2.403
  418   1HE   LYS  48          HE2       LYS  48 199.403   8.947   0.323
  419   2HE   LYS  48          HE1       LYS  48 197.984   9.829   0.887
  420   1HZ   LYS  48          HZ1       LYS  48 199.461  11.778   1.208
  421   2HZ   LYS  48          HZ2       LYS  48 199.320  11.294  -0.407
  422   3HZ   LYS  48          HZ3       LYS  48 200.715  10.914   0.470
  423    H    LYS  49           HN       LYS  49 197.107   5.261   5.649
  424    HA   LYS  49           HA       LYS  49 199.431   3.854   4.935
  425   1HB   LYS  49          HB2       LYS  49 196.557   3.156   5.309
  426   2HB   LYS  49          HB1       LYS  49 197.578   1.994   4.475
  427   1HG   LYS  49          HG2       LYS  49 198.928   2.895   6.817
  428   2HG   LYS  49          HG1       LYS  49 197.291   2.389   7.242
  429   1HD   LYS  49          HD2       LYS  49 198.050   0.399   5.548
  430   2HD   LYS  49          HD1       LYS  49 199.582   0.802   6.323
  431   1HE   LYS  49          HE2       LYS  49 197.022  -0.105   7.608
  432   2HE   LYS  49          HE1       LYS  49 198.595  -0.893   7.644
  433   1HZ   LYS  49          HZ1       LYS  49 198.938   1.659   8.700
  434   2HZ   LYS  49          HZ2       LYS  49 199.021   0.181   9.516
  435   3HZ   LYS  49          HZ3       LYS  49 197.553   1.016   9.430
  436    H    LYS  50           HN       LYS  50 196.644   4.897   3.035
  437    HA   LYS  50           HA       LYS  50 197.357   3.473   0.682
  438   1HB   LYS  50          HB2       LYS  50 195.078   4.518   1.382
  439   2HB   LYS  50          HB1       LYS  50 195.715   5.982   0.645
  440   1HG   LYS  50          HG2       LYS  50 194.742   5.168  -1.204
  441   2HG   LYS  50          HG1       LYS  50 196.213   4.198  -1.316
  442   1HD   LYS  50          HD2       LYS  50 194.844   2.431  -1.360
  443   2HD   LYS  50          HD1       LYS  50 194.636   2.711   0.370
  444   1HE   LYS  50          HE2       LYS  50 192.472   2.506  -0.634
  445   2HE   LYS  50          HE1       LYS  50 192.712   4.187  -0.160
  446   1HZ   LYS  50          HZ1       LYS  50 191.814   3.498  -2.537
  447   2HZ   LYS  50          HZ2       LYS  50 193.469   3.459  -2.880
  448   3HZ   LYS  50          HZ3       LYS  50 192.760   4.880  -2.298
  449    H    TYR  51           HN       TYR  51 198.268   4.195  -1.234
  450    HA   TYR  51           HA       TYR  51 199.413   6.848  -1.398
  451   1HB   TYR  51          HB2       TYR  51 201.075   4.371  -1.063
  452   2HB   TYR  51          HB1       TYR  51 201.690   5.738  -1.986
  453    HD1  TYR  51           HD1      TYR  51 200.788   4.503   1.317
  454    HD2  TYR  51           HD2      TYR  51 202.224   7.841  -0.886
  455    HE1  TYR  51           HE1      TYR  51 201.506   5.574   3.417
  456    HE2  TYR  51           HE2      TYR  51 202.949   8.920   1.201
  457    HH   TYR  51           HH       TYR  51 203.562   7.611   3.832
  458    H    LEU  52           HN       LEU  52 198.824   7.459  -3.371
  459    HA   LEU  52           HA       LEU  52 198.715   5.456  -5.507
  460   1HB   LEU  52          HB2       LEU  52 196.877   7.290  -4.876
  461   2HB   LEU  52          HB1       LEU  52 197.853   8.272  -5.953
  462    HG   LEU  52           HG       LEU  52 197.506   6.673  -7.769
  463   1HD1  LEU  52          HD11      LEU  52 196.830   4.920  -5.666
  464   2HD1  LEU  52          HD12      LEU  52 196.899   4.576  -7.393
  465   3HD1  LEU  52          HD13      LEU  52 195.387   5.112  -6.661
  466   1HD2  LEU  52          HD21      LEU  52 195.753   8.500  -6.916
  467   2HD2  LEU  52          HD22      LEU  52 194.746   7.058  -6.770
  468   3HD2  LEU  52          HD23      LEU  52 195.462   7.480  -8.326
  469    H    VAL  53           HN       VAL  53 200.975   5.302  -5.747
  470    HA   VAL  53           HA       VAL  53 202.307   7.680  -6.837
  471    HB   VAL  53           HB       VAL  53 204.300   5.831  -6.655
  472   1HG1  VAL  53          HG11      VAL  53 203.440   7.616  -4.385
  473   2HG1  VAL  53          HG12      VAL  53 204.246   8.187  -5.846
  474   3HG1  VAL  53          HG13      VAL  53 205.074   7.070  -4.760
  475   1HG2  VAL  53          HG21      VAL  53 202.376   5.274  -4.404
  476   2HG2  VAL  53          HG22      VAL  53 204.078   4.826  -4.379
  477   3HG2  VAL  53          HG23      VAL  53 203.006   4.131  -5.592
  478    HA   PRO  54           HA       PRO  54 202.359   6.301 -11.004
  479   1HB   PRO  54          HB2       PRO  54 205.306   6.737 -10.938
  480   2HB   PRO  54          HB1       PRO  54 204.100   7.374 -12.061
  481   1HG   PRO  54          HG2       PRO  54 205.154   8.931 -10.176
  482   2HG   PRO  54          HG1       PRO  54 203.437   9.055 -10.606
  483   1HD   PRO  54          HD2       PRO  54 204.711   7.789  -8.221
  484   2HD   PRO  54          HD1       PRO  54 203.178   8.677  -8.346
  485    H    SER  55           HN       SER  55 203.993   4.908 -12.476
  486    HA   SER  55           HA       SER  55 204.484   2.444 -10.948
  487   1HB   SER  55          HB2       SER  55 202.997   2.887 -13.314
  488   2HB   SER  55          HB1       SER  55 204.430   1.972 -13.780
  489    HG   SER  55           HG       SER  55 202.242   1.115 -12.513
  490    H    ASP  56           HN       ASP  56 206.006   4.948 -12.639
  491    HA   ASP  56           HA       ASP  56 208.380   3.317 -13.185
  492   1HB   ASP  56          HB2       ASP  56 207.250   5.099 -14.827
  493   2HB   ASP  56          HB1       ASP  56 208.267   6.208 -13.911
  494    H    LEU  57           HN       LEU  57 207.027   5.182 -10.805
  495    HA   LEU  57           HA       LEU  57 209.150   6.751  -9.909
  496   1HB   LEU  57          HB2       LEU  57 206.754   6.870  -9.149
  497   2HB   LEU  57          HB1       LEU  57 207.074   5.455  -8.161
  498    HG   LEU  57           HG       LEU  57 209.015   6.896  -7.193
  499   1HD1  LEU  57          HD11      LEU  57 208.412   8.672  -9.005
  500   2HD1  LEU  57          HD12      LEU  57 208.910   9.174  -7.390
  501   3HD1  LEU  57          HD13      LEU  57 207.201   9.168  -7.823
  502   1HD2  LEU  57          HD21      LEU  57 206.611   6.194  -6.260
  503   2HD2  LEU  57          HD22      LEU  57 206.409   7.946  -6.286
  504   3HD2  LEU  57          HD23      LEU  57 207.728   7.224  -5.364
  505    H    THR  58           HN       THR  58 211.108   6.011  -9.474
  506    HA   THR  58           HA       THR  58 211.705   3.344  -8.772
  507    HB   THR  58           HB       THR  58 213.919   4.647  -7.957
  508    HG1  THR  58           HG1      THR  58 212.927   6.347  -9.975
  509   1HG2  THR  58          HG21      THR  58 214.043   4.800 -10.765
  510   2HG2  THR  58          HG22      THR  58 213.060   3.392 -10.359
  511   3HG2  THR  58          HG23      THR  58 214.692   3.548  -9.705
  512    H    VAL  59           HN       VAL  59 212.235   2.384  -6.869
  513    HA   VAL  59           HA       VAL  59 210.836   2.957  -4.594
  514    HB   VAL  59           HB       VAL  59 213.404   1.468  -5.017
  515   1HG1  VAL  59          HG11      VAL  59 213.091   0.569  -2.678
  516   2HG1  VAL  59          HG12      VAL  59 211.982   1.911  -2.397
  517   3HG1  VAL  59          HG13      VAL  59 213.672   2.232  -2.780
  518   1HG2  VAL  59          HG21      VAL  59 211.771  -0.391  -4.191
  519   2HG2  VAL  59          HG22      VAL  59 211.668   0.208  -5.847
  520   3HG2  VAL  59          HG23      VAL  59 210.527   0.781  -4.630
  521    H    GLY  60           HN       GLY  60 214.018   4.170  -5.529
  522   1HA   GLY  60          HA2       GLY  60 214.749   5.372  -3.098
  523   2HA   GLY  60          HA1       GLY  60 215.287   5.896  -4.690
  524    H    GLN  61           HN       GLN  61 212.659   6.429  -5.696
  525    HA   GLN  61           HA       GLN  61 212.308   9.106  -4.750
  526   1HB   GLN  61          HB2       GLN  61 210.696   7.445  -6.671
  527   2HB   GLN  61          HB1       GLN  61 210.464   9.165  -6.379
  528   1HG   GLN  61          HG2       GLN  61 212.800   9.540  -7.079
  529   2HG   GLN  61          HG1       GLN  61 212.897   7.836  -7.517
  530   1HE2  GLN  61          HE21      GLN  61 210.330   7.532  -8.578
  531   2HE2  GLN  61          HE22      GLN  61 210.233   8.410 -10.064
  532    H    PHE  62           HN       PHE  62 210.433   6.111  -4.610
  533    HA   PHE  62           HA       PHE  62 208.169   7.027  -3.293
  534   1HB   PHE  62          HB2       PHE  62 208.625   4.699  -4.242
  535   2HB   PHE  62          HB1       PHE  62 209.444   4.353  -2.723
  536    HD1  PHE  62           HD1      PHE  62 208.077   2.797  -1.671
  537    HD2  PHE  62           HD2      PHE  62 206.360   6.320  -3.324
  538    HE1  PHE  62           HE1      PHE  62 205.916   2.226  -0.640
  539    HE2  PHE  62           HE2      PHE  62 204.200   5.757  -2.297
  540    HZ   PHE  62           HZ       PHE  62 203.978   3.712  -0.956
  541    H    TYR  63           HN       TYR  63 211.277   5.991  -1.967
  542    HA   TYR  63           HA       TYR  63 210.694   6.024   0.749
  543   1HB   TYR  63          HB2       TYR  63 213.154   6.464  -0.876
  544   2HB   TYR  63          HB1       TYR  63 213.208   6.906   0.826
  545    HD1  TYR  63           HD1      TYR  63 213.788   4.363  -1.460
  546    HD2  TYR  63           HD2      TYR  63 212.263   5.020   2.449
  547    HE1  TYR  63           HE1      TYR  63 214.260   2.015  -0.891
  548    HE2  TYR  63           HE2      TYR  63 212.728   2.682   3.035
  549    HH   TYR  63           HH       TYR  63 214.722   0.718   1.332
  550    H    PHE  64           HN       PHE  64 212.419   8.565  -0.962
  551    HA   PHE  64           HA       PHE  64 212.431  10.577   0.810
  552   1HB   PHE  64          HB2       PHE  64 213.507  11.038  -1.192
  553   2HB   PHE  64          HB1       PHE  64 212.129  10.541  -2.164
  554    HD1  PHE  64           HD1      PHE  64 210.634  12.106  -3.001
  555    HD2  PHE  64           HD2      PHE  64 213.343  13.230   0.085
  556    HE1  PHE  64           HE1      PHE  64 209.980  14.463  -3.288
  557    HE2  PHE  64           HE2      PHE  64 212.694  15.586  -0.196
  558    HZ   PHE  64           HZ       PHE  64 211.010  16.205  -1.884
  559    H    LEU  65           HN       LEU  65 209.612   9.634  -1.114
  560    HA   LEU  65           HA       LEU  65 208.027  11.845  -0.309
  561   1HB   LEU  65          HB2       LEU  65 206.618  11.086  -1.843
  562   2HB   LEU  65          HB1       LEU  65 207.830   9.875  -2.208
  563    HG   LEU  65           HG       LEU  65 206.711   8.439  -0.456
  564   1HD1  LEU  65          HD11      LEU  65 204.847   9.117   0.592
  565   2HD1  LEU  65          HD12      LEU  65 204.151   9.772  -0.890
  566   3HD1  LEU  65          HD13      LEU  65 205.288  10.737   0.054
  567   1HD2  LEU  65          HD21      LEU  65 205.181   7.551  -2.042
  568   2HD2  LEU  65          HD22      LEU  65 206.530   8.223  -2.960
  569   3HD2  LEU  65          HD23      LEU  65 205.010   9.110  -2.847
  570    H    ILE  66           HN       ILE  66 208.326   8.511   0.845
  571    HA   ILE  66           HA       ILE  66 206.336   8.796   2.867
  572    HB   ILE  66           HB       ILE  66 208.548   6.769   2.531
  573   1HG1  ILE  66          HG12      ILE  66 206.936   6.647   0.737
  574   2HG1  ILE  66          HG11      ILE  66 206.689   5.278   1.816
  575   1HG2  ILE  66          HG21      ILE  66 206.566   7.156   4.676
  576   2HG2  ILE  66          HG22      ILE  66 208.139   6.357   4.710
  577   3HG2  ILE  66          HG23      ILE  66 206.730   5.507   4.072
  578   1HD1  ILE  66          HD11      ILE  66 204.619   5.923   2.346
  579   2HD1  ILE  66          HD12      ILE  66 204.731   6.891   0.877
  580   3HD1  ILE  66          HD13      ILE  66 205.059   7.627   2.445
  581    H    ARG  67           HN       ARG  67 209.814   9.210   2.704
  582    HA   ARG  67           HA       ARG  67 210.545   9.242   5.348
  583   1HB   ARG  67          HB2       ARG  67 211.600  10.287   2.863
  584   2HB   ARG  67          HB1       ARG  67 211.962  11.369   4.199
  585   1HG   ARG  67          HG2       ARG  67 213.581  10.034   4.903
  586   2HG   ARG  67          HG1       ARG  67 212.469   8.666   4.998
  587   1HD   ARG  67          HD2       ARG  67 212.846   8.141   2.683
  588   2HD   ARG  67          HD1       ARG  67 213.821   9.595   2.474
  589    HE   ARG  67           HE       ARG  67 214.886   7.912   4.503
  590   1HH1  ARG  67          HH11      ARG  67 214.654   8.283   1.041
  591   2HH1  ARG  67          HH12      ARG  67 216.118   7.414   0.724
  592   1HH2  ARG  67          HH21      ARG  67 216.812   6.769   4.088
  593   2HH2  ARG  67          HH22      ARG  67 217.343   6.554   2.453
  594    H    LYS  68           HN       LYS  68 209.316  12.047   3.493
  595    HA   LYS  68           HA       LYS  68 209.380  13.858   5.648
  596   1HB   LYS  68          HB2       LYS  68 207.505  13.856   3.282
  597   2HB   LYS  68          HB1       LYS  68 207.856  15.225   4.327
  598   1HG   LYS  68          HG2       LYS  68 209.997  15.491   3.473
  599   2HG   LYS  68          HG1       LYS  68 210.043  13.849   2.825
  600   1HD   LYS  68          HD2       LYS  68 207.872  15.450   1.730
  601   2HD   LYS  68          HD1       LYS  68 209.470  16.128   1.395
  602   1HE   LYS  68          HE2       LYS  68 210.192  14.077   0.382
  603   2HE   LYS  68          HE1       LYS  68 208.717  13.263   0.896
  604   1HZ   LYS  68          HZ1       LYS  68 208.919  15.444  -1.105
  605   2HZ   LYS  68          HZ2       LYS  68 207.461  14.798  -0.543
  606   3HZ   LYS  68          HZ3       LYS  68 208.538  13.824  -1.409
  607    H    ARG  69           HN       ARG  69 206.822  11.726   4.440
  608    HA   ARG  69           HA       ARG  69 204.729  12.495   6.077
  609   1HB   ARG  69          HB2       ARG  69 205.403   9.653   5.295
  610   2HB   ARG  69          HB1       ARG  69 203.821  10.264   5.760
  611   1HG   ARG  69          HG2       ARG  69 204.972  11.737   3.537
  612   2HG   ARG  69          HG1       ARG  69 204.786  10.016   3.195
  613   1HD   ARG  69          HD2       ARG  69 202.529  10.107   3.256
  614   2HD   ARG  69          HD1       ARG  69 202.506  11.344   4.513
  615    HE   ARG  69           HE       ARG  69 203.428  12.278   1.949
  616   1HH1  ARG  69          HH11      ARG  69 200.642  11.758   3.987
  617   2HH1  ARG  69          HH12      ARG  69 199.669  12.933   3.169
  618   1HH2  ARG  69          HH21      ARG  69 202.149  13.822   0.873
  619   2HH2  ARG  69          HH22      ARG  69 200.524  14.105   1.399
  620    H    ILE  70           HN       ILE  70 207.650  10.858   6.909
  621    HA   ILE  70           HA       ILE  70 206.635  10.307   9.616
  622    HB   ILE  70           HB       ILE  70 209.123   9.059   9.421
  623   1HG1  ILE  70          HG12      ILE  70 207.562   8.105   7.053
  624   2HG1  ILE  70          HG11      ILE  70 208.673   9.455   6.870
  625   1HG2  ILE  70          HG21      ILE  70 207.967   7.290  10.166
  626   2HG2  ILE  70          HG22      ILE  70 206.780   7.382   8.864
  627   3HG2  ILE  70          HG23      ILE  70 206.635   8.439  10.268
  628   1HD1  ILE  70          HD11      ILE  70 209.816   7.168   8.264
  629   2HD1  ILE  70          HD12      ILE  70 210.466   8.155   6.954
  630   3HD1  ILE  70          HD13      ILE  70 209.338   6.848   6.596
  631    H    HIS  71           HN       HIS  71 208.331  12.553   7.960
  632    HA   HIS  71           HA       HIS  71 209.540  14.344   8.620
  633   1HB   HIS  71          HB2       HIS  71 209.747  13.157  11.389
  634   2HB   HIS  71          HB1       HIS  71 209.915  14.845  10.924
  635    HD1  HIS  71           HD1      HIS  71 207.992  14.569  13.062
  636    HD2  HIS  71           HD2      HIS  71 206.866  13.872   9.124
  637    HE1  HIS  71           HE1      HIS  71 205.492  14.840  13.019
  638    HE2  HIS  71           HE2      HIS  71 204.844  14.502  10.609
  639    H    LEU  72           HN       LEU  72 210.739  12.543   7.248
  640    HA   LEU  72           HA       LEU  72 213.415  12.294   8.448
  641   1HB   LEU  72          HB2       LEU  72 212.115  10.396   6.506
  642   2HB   LEU  72          HB1       LEU  72 213.723  10.230   7.190
  643    HG   LEU  72           HG       LEU  72 211.064   9.883   8.551
  644   1HD1  LEU  72          HD11      LEU  72 211.694   7.695   8.869
  645   2HD1  LEU  72          HD12      LEU  72 213.417   8.061   8.750
  646   3HD1  LEU  72          HD13      LEU  72 212.415   8.046   7.298
  647   1HD2  LEU  72          HD21      LEU  72 213.592  10.802   9.715
  648   2HD2  LEU  72          HD22      LEU  72 212.883   9.399  10.515
  649   3HD2  LEU  72          HD23      LEU  72 211.950  10.886  10.351
  650    H    ARG  73           HN       ARG  73 215.107  13.005   7.222
  651    HA   ARG  73           HA       ARG  73 214.475  13.930   4.496
  652   1HB   ARG  73          HB2       ARG  73 216.226  15.762   5.046
  653   2HB   ARG  73          HB1       ARG  73 214.584  15.939   5.649
  654   1HG   ARG  73          HG2       ARG  73 216.722  14.682   7.327
  655   2HG   ARG  73          HG1       ARG  73 216.534  16.435   7.237
  656   1HD   ARG  73          HD2       ARG  73 213.973  15.239   7.660
  657   2HD   ARG  73          HD1       ARG  73 215.110  14.600   8.847
  658    HE   ARG  73           HE       ARG  73 215.491  17.333   8.809
  659   1HH1  ARG  73          HH11      ARG  73 212.869  15.141   9.512
  660   2HH1  ARG  73          HH12      ARG  73 212.120  16.204  10.655
  661   1HH2  ARG  73          HH21      ARG  73 214.508  18.734  10.311
  662   2HH2  ARG  73          HH22      ARG  73 213.050  18.245  11.109
  663    H    ALA  74           HN       ALA  74 215.422  11.704   4.086
  664    HA   ALA  74           HA       ALA  74 217.099  10.457   3.180
  665   1HB   ALA  74          HB1       ALA  74 218.594  11.548   1.881
  666   2HB   ALA  74          HB2       ALA  74 219.065  12.659   3.166
  667   3HB   ALA  74          HB3       ALA  74 217.571  12.931   2.270
  668    H    GLU  75           HN       GLU  75 218.913  12.786   5.184
  669    HA   GLU  75           HA       GLU  75 220.847  11.091   6.125
  670   1HB   GLU  75          HB2       GLU  75 219.496  13.389   7.547
  671   2HB   GLU  75          HB1       GLU  75 220.945  12.594   8.145
  672   1HG   GLU  75          HG2       GLU  75 221.752  13.169   5.658
  673   2HG   GLU  75          HG1       GLU  75 220.599  14.480   5.906
  674    H    ASP  76           HN       ASP  76 217.525  11.364   7.161
  675    HA   ASP  76           HA       ASP  76 217.830   9.766   9.521
  676   1HB   ASP  76          HB2       ASP  76 215.459  10.753   7.949
  677   2HB   ASP  76          HB1       ASP  76 215.263   9.631   9.293
  678    H    ALA  77           HN       ALA  77 216.952   7.645   9.829
  679    HA   ALA  77           HA       ALA  77 217.489   5.937   7.560
  680   1HB   ALA  77          HB1       ALA  77 216.836   5.246  10.418
  681   2HB   ALA  77          HB2       ALA  77 218.445   5.331   9.697
  682   3HB   ALA  77          HB3       ALA  77 217.303   4.096   9.165
  683    H    LEU  78           HN       LEU  78 216.095   4.660   6.529
  684    HA   LEU  78           HA       LEU  78 213.437   4.117   7.392
  685   1HB   LEU  78          HB2       LEU  78 213.107   6.425   6.675
  686   2HB   LEU  78          HB1       LEU  78 213.810   6.059   5.113
  687    HG   LEU  78           HG       LEU  78 211.928   4.451   4.723
  688   1HD1  LEU  78          HD11      LEU  78 211.117   3.896   6.825
  689   2HD1  LEU  78          HD12      LEU  78 209.885   4.990   6.193
  690   3HD1  LEU  78          HD13      LEU  78 211.069   5.577   7.359
  691   1HD2  LEU  78          HD21      LEU  78 211.000   7.265   5.260
  692   2HD2  LEU  78          HD22      LEU  78 210.369   6.128   4.068
  693   3HD2  LEU  78          HD23      LEU  78 211.986   6.807   3.872
  694    H    PHE  79           HN       PHE  79 213.239   2.085   6.735
  695    HA   PHE  79           HA       PHE  79 214.188   1.387   4.032
  696   1HB   PHE  79          HB2       PHE  79 214.100  -0.438   6.447
  697   2HB   PHE  79          HB1       PHE  79 214.689  -0.861   4.844
  698    HD1  PHE  79           HD1      PHE  79 215.330   1.387   7.726
  699    HD2  PHE  79           HD2      PHE  79 216.919  -0.539   4.279
  700    HE1  PHE  79           HE1      PHE  79 217.595   2.093   8.380
  701    HE2  PHE  79           HE2      PHE  79 219.186   0.163   4.927
  702    HZ   PHE  79           HZ       PHE  79 219.526   1.482   6.980
  703    H    PHE  80           HN       PHE  80 212.708   0.557   2.692
  704    HA   PHE  80           HA       PHE  80 210.004   0.248   3.636
  705   1HB   PHE  80          HB2       PHE  80 211.296   0.160   0.925
  706   2HB   PHE  80          HB1       PHE  80 209.633  -0.365   1.145
  707    HD1  PHE  80           HD1      PHE  80 210.678   1.933  -0.571
  708    HD2  PHE  80           HD2      PHE  80 209.116   1.785   3.386
  709    HE1  PHE  80           HE1      PHE  80 209.930   4.265  -0.778
  710    HE2  PHE  80           HE2      PHE  80 208.370   4.116   3.185
  711    HZ   PHE  80           HZ       PHE  80 208.776   5.359   1.101
  712    H    PHE  81           HN       PHE  81 208.816  -1.599   3.738
  713    HA   PHE  81           HA       PHE  81 210.190  -4.115   3.137
  714   1HB   PHE  81          HB2       PHE  81 208.653  -3.513   5.671
  715   2HB   PHE  81          HB1       PHE  81 209.311  -5.089   5.228
  716    HD1  PHE  81           HD1      PHE  81 210.111  -1.699   6.343
  717    HD2  PHE  81           HD2      PHE  81 211.672  -5.531   5.351
  718    HE1  PHE  81           HE1      PHE  81 212.262  -1.081   7.362
  719    HE2  PHE  81           HE2      PHE  81 213.825  -4.924   6.376
  720    HZ   PHE  81           HZ       PHE  81 214.129  -2.695   7.374
  721    H    VAL  82           HN       VAL  82 209.046  -5.061   1.606
  722    HA   VAL  82           HA       VAL  82 206.107  -4.959   1.784
  723    HB   VAL  82           HB       VAL  82 207.187  -3.840  -0.246
  724   1HG1  VAL  82          HG11      VAL  82 208.906  -5.619  -0.574
  725   2HG1  VAL  82          HG12      VAL  82 208.005  -5.197  -2.030
  726   3HG1  VAL  82          HG13      VAL  82 207.621  -6.678  -1.153
  727   1HG2  VAL  82          HG21      VAL  82 205.359  -6.081  -1.037
  728   2HG2  VAL  82          HG22      VAL  82 205.407  -4.421  -1.635
  729   3HG2  VAL  82          HG23      VAL  82 204.804  -4.758  -0.012
  730    H    ASN  83           HN       ASN  83 205.198  -6.843   2.281
  731    HA   ASN  83           HA       ASN  83 204.858  -9.085   2.528
  732   1HB   ASN  83          HB2       ASN  83 207.012  -9.481   0.435
  733   2HB   ASN  83          HB1       ASN  83 205.758 -10.625   0.903
  734   1HD2  ASN  83          HD21      ASN  83 205.978 -10.127  -1.683
  735   2HD2  ASN  83          HD22      ASN  83 204.694  -9.120  -2.249
  736    H    ASN  84           HN       ASN  84 207.101  -7.436   3.761
  737    HA   ASN  84           HA       ASN  84 208.355  -7.849   5.636
  738   1HB   ASN  84          HB2       ASN  84 207.270 -10.302   5.390
  739   2HB   ASN  84          HB1       ASN  84 208.947 -10.687   5.016
  740   1HD2  ASN  84          HD21      ASN  84 209.009 -11.928   6.937
  741   2HD2  ASN  84          HD22      ASN  84 209.199 -11.167   8.476
  742    H    VAL  85           HN       VAL  85 209.161  -7.846   2.504
  743    HA   VAL  85           HA       VAL  85 212.021  -8.237   3.056
  744    HB   VAL  85           HB       VAL  85 211.088  -9.784   1.413
  745   1HG1  VAL  85          HG11      VAL  85 209.502  -9.002   0.055
  746   2HG1  VAL  85          HG12      VAL  85 210.832  -8.388  -0.924
  747   3HG1  VAL  85          HG13      VAL  85 210.041  -7.336   0.250
  748   1HG2  VAL  85          HG21      VAL  85 213.472  -8.858   1.385
  749   2HG2  VAL  85          HG22      VAL  85 212.946  -7.935  -0.022
  750   3HG2  VAL  85          HG23      VAL  85 212.898  -9.698  -0.056
  751    H    ILE  86           HN       ILE  86 213.485  -6.907   1.859
  752    HA   ILE  86           HA       ILE  86 212.528  -4.151   1.698
  753    HB   ILE  86           HB       ILE  86 215.347  -5.221   1.679
  754   1HG1  ILE  86          HG12      ILE  86 213.462  -4.383   3.833
  755   2HG1  ILE  86          HG11      ILE  86 214.657  -5.674   3.829
  756   1HG2  ILE  86          HG21      ILE  86 214.639  -2.855   0.670
  757   2HG2  ILE  86          HG22      ILE  86 216.134  -3.085   1.573
  758   3HG2  ILE  86          HG23      ILE  86 214.718  -2.404   2.372
  759   1HD1  ILE  86          HD11      ILE  86 216.433  -4.036   4.081
  760   2HD1  ILE  86          HD12      ILE  86 215.249  -3.908   5.380
  761   3HD1  ILE  86          HD13      ILE  86 215.240  -2.738   4.064
  762    HA   PRO  87           HA       PRO  87 212.691  -4.616  -2.778
  763   1HB   PRO  87          HB2       PRO  87 211.571  -2.256  -3.406
  764   2HB   PRO  87          HB1       PRO  87 210.616  -3.595  -2.757
  765   1HG   PRO  87          HG2       PRO  87 211.690  -1.179  -1.352
  766   2HG   PRO  87          HG1       PRO  87 210.095  -1.941  -1.209
  767   1HD   PRO  87          HD2       PRO  87 212.133  -2.335   0.575
  768   2HD   PRO  87          HD1       PRO  87 210.849  -3.521   0.270
  769    HA   PRO  88           HA       PRO  88 216.417  -2.431  -3.754
  770   1HB   PRO  88          HB2       PRO  88 215.703  -2.560  -6.587
  771   2HB   PRO  88          HB1       PRO  88 216.989  -3.405  -5.722
  772   1HG   PRO  88          HG2       PRO  88 214.817  -4.688  -6.688
  773   2HG   PRO  88          HG1       PRO  88 215.642  -5.201  -5.205
  774   1HD   PRO  88          HD2       PRO  88 213.131  -3.595  -5.514
  775   2HD   PRO  88          HD1       PRO  88 213.489  -4.928  -4.393
  776    H    THR  89           HN       THR  89 216.919  -0.329  -3.796
  777    HA   THR  89           HA       THR  89 215.016   1.689  -4.143
  778    HB   THR  89           HB       THR  89 217.131   3.176  -4.357
  779    HG1  THR  89           HG1      THR  89 218.425   1.263  -4.953
  780   1HG2  THR  89          HG21      THR  89 217.752   2.203  -1.869
  781   2HG2  THR  89          HG22      THR  89 216.061   1.747  -2.071
  782   3HG2  THR  89          HG23      THR  89 216.543   3.435  -2.234
  783    H    SER  90           HN       SER  90 216.905  -0.020  -6.452
  784    HA   SER  90           HA       SER  90 216.755   1.986  -8.508
  785   1HB   SER  90          HB2       SER  90 218.530   0.113  -8.231
  786   2HB   SER  90          HB1       SER  90 217.335  -0.922  -9.011
  787    HG   SER  90           HG       SER  90 217.301   0.755 -10.700
  788    H    ALA  91           HN       ALA  91 214.980  -0.933  -7.636
  789    HA   ALA  91           HA       ALA  91 213.449  -1.227  -9.954
  790   1HB   ALA  91          HB1       ALA  91 213.586  -2.891  -8.120
  791   2HB   ALA  91          HB2       ALA  91 211.932  -2.548  -8.634
  792   3HB   ALA  91          HB3       ALA  91 212.557  -1.846  -7.141
  793    H    THR  92           HN       THR  92 211.273  -0.639 -10.416
  794    HA   THR  92           HA       THR  92 210.567   1.982  -9.315
  795    HB   THR  92           HB       THR  92 209.358   2.400 -11.316
  796    HG1  THR  92           HG1      THR  92 208.983   0.762 -12.842
  797   1HG2  THR  92          HG21      THR  92 211.639   2.682 -11.813
  798   2HG2  THR  92          HG22      THR  92 210.952   1.771 -13.159
  799   3HG2  THR  92          HG23      THR  92 211.907   0.943 -11.929
  800    H    MET  93           HN       MET  93 208.478   2.460  -8.615
  801    HA   MET  93           HA       MET  93 207.181   0.636  -7.025
  802   1HB   MET  93          HB2       MET  93 206.119   3.084  -8.423
  803   2HB   MET  93          HB1       MET  93 205.153   2.154  -7.286
  804   1HG   MET  93          HG2       MET  93 207.783   2.883  -6.262
  805   2HG   MET  93          HG1       MET  93 206.768   4.264  -6.667
  806   1HE   MET  93          HE1       MET  93 204.979   0.845  -5.315
  807   2HE   MET  93          HE2       MET  93 205.664   0.948  -3.692
  808   3HE   MET  93          HE3       MET  93 206.728   0.803  -5.092
  809    H    GLY  94           HN       GLY  94 206.543   1.371 -10.429
  810   1HA   GLY  94          HA2       GLY  94 204.227  -0.172 -10.746
  811   2HA   GLY  94          HA1       GLY  94 205.363   0.224 -12.028
  812    H    GLN  95           HN       GLN  95 207.644  -1.068 -11.046
  813    HA   GLN  95           HA       GLN  95 207.211  -3.693 -11.957
  814   1HB   GLN  95          HB2       GLN  95 209.520  -2.457 -10.449
  815   2HB   GLN  95          HB1       GLN  95 209.535  -4.110 -11.048
  816   1HG   GLN  95          HG2       GLN  95 208.827  -2.733 -13.282
  817   2HG   GLN  95          HG1       GLN  95 209.897  -1.586 -12.477
  818   1HE2  GLN  95          HE21      GLN  95 211.869  -1.716 -13.245
  819   2HE2  GLN  95          HE22      GLN  95 212.703  -3.163 -13.688
  820    H    LEU  96           HN       LEU  96 207.517  -2.310  -8.728
  821    HA   LEU  96           HA       LEU  96 207.463  -4.748  -7.307
  822   1HB   LEU  96          HB2       LEU  96 206.465  -2.031  -6.440
  823   2HB   LEU  96          HB1       LEU  96 206.760  -3.390  -5.375
  824    HG   LEU  96           HG       LEU  96 208.775  -1.737  -6.870
  825   1HD1  LEU  96          HD11      LEU  96 209.718  -1.482  -4.591
  826   2HD1  LEU  96          HD12      LEU  96 208.338  -2.379  -3.956
  827   3HD1  LEU  96          HD13      LEU  96 208.090  -0.824  -4.753
  828   1HD2  LEU  96          HD21      LEU  96 210.503  -3.255  -6.157
  829   2HD2  LEU  96          HD22      LEU  96 209.315  -4.150  -7.105
  830   3HD2  LEU  96          HD23      LEU  96 209.320  -4.283  -5.347
  831    H    TYR  97           HN       TYR  97 204.893  -2.420  -8.064
  832    HA   TYR  97           HA       TYR  97 202.757  -3.851  -6.993
  833   1HB   TYR  97          HB2       TYR  97 202.499  -1.540  -7.683
  834   2HB   TYR  97          HB1       TYR  97 202.783  -1.984  -9.364
  835    HD1  TYR  97           HD1      TYR  97 201.114  -3.530 -10.497
  836    HD2  TYR  97           HD2      TYR  97 200.339  -1.633  -6.763
  837    HE1  TYR  97           HE1      TYR  97 198.702  -3.913 -10.807
  838    HE2  TYR  97           HE2      TYR  97 197.927  -2.013  -7.065
  839    HH   TYR  97           HH       TYR  97 196.332  -2.435  -8.816
  840    H    GLN  98           HN       GLN  98 204.412  -4.202 -10.060
  841    HA   GLN  98           HA       GLN  98 202.431  -5.949 -11.166
  842   1HB   GLN  98          HB2       GLN  98 205.260  -5.330 -11.988
  843   2HB   GLN  98          HB1       GLN  98 204.196  -6.406 -12.881
  844   1HG   GLN  98          HG2       GLN  98 202.743  -4.047 -12.496
  845   2HG   GLN  98          HG1       GLN  98 204.371  -3.549 -12.954
  846   1HE2  GLN  98          HE21      GLN  98 204.088  -2.923 -15.003
  847   2HE2  GLN  98          HE22      GLN  98 203.484  -3.930 -16.269
  848    H    GLU  99           HN       GLU  99 205.225  -6.330  -9.141
  849    HA   GLU  99           HA       GLU  99 204.960  -9.257  -9.360
  850   1HB   GLU  99          HB2       GLU  99 207.389  -7.540  -8.938
  851   2HB   GLU  99          HB1       GLU  99 207.386  -9.268  -8.602
  852   1HG   GLU  99          HG2       GLU  99 206.347  -9.156 -11.127
  853   2HG   GLU  99          HG1       GLU  99 207.526  -7.844 -11.137
  854    H    HIS 100           HN       HIS 100 203.738  -7.191  -7.410
  855    HA   HIS 100           HA       HIS 100 204.366  -8.765  -5.047
  856   1HB   HIS 100          HB2       HIS 100 204.656  -5.774  -5.152
  857   2HB   HIS 100          HB1       HIS 100 204.515  -6.676  -3.647
  858    HD1  HIS 100           HD1      HIS 100 206.628  -7.559  -2.686
  859    HD2  HIS 100           HD2      HIS 100 207.039  -6.560  -6.700
  860    HE1  HIS 100           HE1      HIS 100 209.072  -7.838  -3.200
  861    HE2  HIS 100           HE2      HIS 100 209.312  -7.140  -5.610
  862    H    HIS 101           HN       HIS 101 202.216  -6.611  -6.696
  863    HA   HIS 101           HA       HIS 101 200.275  -6.131  -4.812
  864   1HB   HIS 101          HB2       HIS 101 198.714  -5.835  -6.588
  865   2HB   HIS 101          HB1       HIS 101 200.283  -5.320  -7.200
  866    HD1  HIS 101           HD1      HIS 101 201.555  -7.383  -8.599
  867    HD2  HIS 101           HD2      HIS 101 197.417  -7.525  -8.246
  868    HE1  HIS 101           HE1      HIS 101 200.778  -8.935 -10.420
  869    HE2  HIS 101           HE2      HIS 101 198.265  -8.937 -10.241
  870    H    GLU 102           HN       GLU 102 199.468  -7.508  -3.423
  871    HA   GLU 102           HA       GLU 102 199.349 -10.303  -3.847
  872   1HB   GLU 102          HB2       GLU 102 198.054  -8.647  -1.678
  873   2HB   GLU 102          HB1       GLU 102 198.347 -10.384  -1.628
  874   1HG   GLU 102          HG2       GLU 102 200.178  -9.734  -0.490
  875   2HG   GLU 102          HG1       GLU 102 200.835  -9.533  -2.115
  876    H    GLU 103           HN       GLU 103 198.080  -9.979  -5.916
  877    HA   GLU 103           HA       GLU 103 196.146 -10.040  -7.143
  878   1HB   GLU 103          HB2       GLU 103 196.442 -12.314  -6.150
  879   2HB   GLU 103          HB1       GLU 103 195.310 -11.856  -4.885
  880   1HG   GLU 103          HG2       GLU 103 193.533 -12.167  -6.197
  881   2HG   GLU 103          HG1       GLU 103 194.298 -11.388  -7.581
  882    H    ASP 104           HN       ASP 104 196.125  -7.875  -5.129
  883    HA   ASP 104           HA       ASP 104 193.197  -7.632  -4.827
  884   1HB   ASP 104          HB2       ASP 104 193.736  -6.073  -2.903
  885   2HB   ASP 104          HB1       ASP 104 194.088  -7.775  -2.619
  886    H    PHE 105           HN       PHE 105 195.221  -6.787  -6.966
  887    HA   PHE 105           HA       PHE 105 195.653  -4.994  -8.307
  888   1HB   PHE 105          HB2       PHE 105 192.960  -4.181  -7.200
  889   2HB   PHE 105          HB1       PHE 105 193.765  -3.348  -8.526
  890    HD1  PHE 105           HD1      PHE 105 193.034  -3.885 -10.624
  891    HD2  PHE 105           HD2      PHE 105 192.919  -6.864  -7.587
  892    HE1  PHE 105           HE1      PHE 105 192.044  -5.472 -12.223
  893    HE2  PHE 105           HE2      PHE 105 191.930  -8.456  -9.181
  894    HZ   PHE 105           HZ       PHE 105 191.491  -7.760 -11.502
  895    H    PHE 106           HN       PHE 106 196.257  -4.893  -5.283
  896    HA   PHE 106           HA       PHE 106 196.826  -2.018  -5.133
  897   1HB   PHE 106          HB2       PHE 106 195.622  -3.873  -3.193
  898   2HB   PHE 106          HB1       PHE 106 196.909  -2.869  -2.531
  899    HD1  PHE 106           HD1      PHE 106 194.697  -1.788  -5.254
  900    HD2  PHE 106           HD2      PHE 106 195.513  -1.587  -1.083
  901    HE1  PHE 106           HE1      PHE 106 193.113   0.091  -5.035
  902    HE2  PHE 106           HE2      PHE 106 193.931   0.286  -0.858
  903    HZ   PHE 106           HZ       PHE 106 192.730   1.125  -2.835
  904    H    LEU 107           HN       LEU 107 198.518  -1.968  -3.043
  905    HA   LEU 107           HA       LEU 107 200.588  -3.937  -3.269
  906   1HB   LEU 107          HB2       LEU 107 200.919  -2.609  -5.304
  907   2HB   LEU 107          HB1       LEU 107 201.062  -1.152  -4.335
  908    HG   LEU 107           HG       LEU 107 203.254  -1.720  -4.975
  909   1HD1  LEU 107          HD11      LEU 107 202.972  -2.876  -2.214
  910   2HD1  LEU 107          HD12      LEU 107 203.043  -1.156  -2.595
  911   3HD1  LEU 107          HD13      LEU 107 204.421  -2.194  -2.945
  912   1HD2  LEU 107          HD21      LEU 107 203.481  -4.398  -3.867
  913   2HD2  LEU 107          HD22      LEU 107 203.951  -3.785  -5.452
  914   3HD2  LEU 107          HD23      LEU 107 202.292  -4.308  -5.166
  915    H    TYR 108           HN       TYR 108 200.213  -4.059  -1.041
  916    HA   TYR 108           HA       TYR 108 200.550  -1.692   0.582
  917   1HB   TYR 108          HB2       TYR 108 199.630  -2.879   2.320
  918   2HB   TYR 108          HB1       TYR 108 198.907  -3.684   0.938
  919    HD1  TYR 108           HD1      TYR 108 199.971  -4.282   3.977
  920    HD2  TYR 108           HD2      TYR 108 200.811  -5.614   0.052
  921    HE1  TYR 108           HE1      TYR 108 200.784  -6.428   4.900
  922    HE2  TYR 108           HE2      TYR 108 201.626  -7.768   0.934
  923    HH   TYR 108           HH       TYR 108 202.564  -8.299   3.894
  924    H    ILE 109           HN       ILE 109 202.244  -1.036   1.597
  925    HA   ILE 109           HA       ILE 109 204.638  -2.753   1.721
  926    HB   ILE 109           HB       ILE 109 204.445   0.173   1.033
  927   1HG1  ILE 109          HG12      ILE 109 204.870  -2.326  -0.559
  928   2HG1  ILE 109          HG11      ILE 109 203.774  -0.983  -0.856
  929   1HG2  ILE 109          HG21      ILE 109 206.470  -0.093   2.239
  930   2HG2  ILE 109          HG22      ILE 109 206.910  -0.073   0.533
  931   3HG2  ILE 109          HG23      ILE 109 206.849  -1.603   1.407
  932   1HD1  ILE 109          HD11      ILE 109 206.611  -1.314  -1.573
  933   2HD1  ILE 109          HD12      ILE 109 206.085   0.306  -1.119
  934   3HD1  ILE 109          HD13      ILE 109 205.297  -0.535  -2.454
  935    H    ALA 110           HN       ALA 110 206.296  -1.879   3.271
  936    HA   ALA 110           HA       ALA 110 205.135  -0.434   5.557
  937   1HB   ALA 110          HB1       ALA 110 206.586  -2.002   6.991
  938   2HB   ALA 110          HB2       ALA 110 206.548  -3.073   5.593
  939   3HB   ALA 110          HB3       ALA 110 205.044  -2.604   6.387
  940    H    TYR 111           HN       TYR 111 206.813   0.415   7.015
  941    HA   TYR 111           HA       TYR 111 209.453   0.749   5.823
  942   1HB   TYR 111          HB2       TYR 111 209.396   3.133   5.755
  943   2HB   TYR 111          HB1       TYR 111 207.976   2.557   4.891
  944    HD1  TYR 111           HD1      TYR 111 209.144   4.055   8.039
  945    HD2  TYR 111           HD2      TYR 111 205.793   3.113   5.627
  946    HE1  TYR 111           HE1      TYR 111 207.729   5.433   9.504
  947    HE2  TYR 111           HE2      TYR 111 204.350   4.488   7.060
  948    HH   TYR 111           HH       TYR 111 205.651   6.187   9.901
  949    H    SER 112           HN       SER 112 211.000   0.760   7.314
  950    HA   SER 112           HA       SER 112 210.349   1.509  10.095
  951   1HB   SER 112          HB2       SER 112 210.458  -0.704  10.550
  952   2HB   SER 112          HB1       SER 112 211.312  -1.081   9.058
  953    HG   SER 112           HG       SER 112 212.354  -0.191  11.525
  954    H    ASP 113           HN       ASP 113 212.348   1.911  11.391
  955    HA   ASP 113           HA       ASP 113 214.150   3.558   9.845
  956   1HB   ASP 113          HB2       ASP 113 214.922   4.412  11.945
  957   2HB   ASP 113          HB1       ASP 113 213.170   4.258  12.056
  958    H    GLU 114           HN       GLU 114 214.100   0.351  10.429
  959    HA   GLU 114           HA       GLU 114 217.043   0.153  10.424
  960   1HB   GLU 114          HB2       GLU 114 215.119  -1.832  11.649
  961   2HB   GLU 114          HB1       GLU 114 216.874  -1.947  11.644
  962   1HG   GLU 114          HG2       GLU 114 215.963   0.552  12.784
  963   2HG   GLU 114          HG1       GLU 114 215.286  -0.844  13.621
  964    H    SER 115           HN       SER 115 217.655  -2.173   9.634
  965    HA   SER 115           HA       SER 115 216.577  -2.374   6.966
  966   1HB   SER 115          HB2       SER 115 218.320  -4.141   6.662
  967   2HB   SER 115          HB1       SER 115 218.967  -2.594   7.212
  968    HG   SER 115           HG       SER 115 218.366  -4.800   8.896
  969    H    VAL 116           HN       VAL 116 215.355  -3.482   9.733
  970    HA   VAL 116           HA       VAL 116 214.407  -5.989   8.536
  971    HB   VAL 116           HB       VAL 116 213.670  -5.890  11.282
  972   1HG1  VAL 116          HG11      VAL 116 215.250  -7.885  11.373
  973   2HG1  VAL 116          HG12      VAL 116 215.559  -7.575   9.665
  974   3HG1  VAL 116          HG13      VAL 116 213.926  -7.959  10.210
  975   1HG2  VAL 116          HG21      VAL 116 216.638  -5.464  10.917
  976   2HG2  VAL 116          HG22      VAL 116 215.795  -5.781  12.433
  977   3HG2  VAL 116          HG23      VAL 116 215.515  -4.270  11.569
  978    H    TYR 117           HN       TYR 117 212.132  -6.440   8.925
  979    HA   TYR 117           HA       TYR 117 210.487  -4.249   8.330
  980   1HB   TYR 117          HB2       TYR 117 209.724  -6.405   7.664
  981   2HB   TYR 117          HB1       TYR 117 209.835  -7.029   9.308
  982    HD1  TYR 117           HD1      TYR 117 207.705  -7.577  10.036
  983    HD2  TYR 117           HD2      TYR 117 208.285  -3.944   7.908
  984    HE1  TYR 117           HE1      TYR 117 205.356  -6.971  10.441
  985    HE2  TYR 117           HE2      TYR 117 205.940  -3.333   8.295
  986    HH   TYR 117           HH       TYR 117 203.824  -4.371   8.819
  987    H    GLY 118           HN       GLY 118 211.398  -2.880  10.140
  988   1HA   GLY 118          HA2       GLY 118 210.974  -1.698  12.062
  989   2HA   GLY 118          HA1       GLY 118 209.419  -2.518  12.124
  990    H    LEU 119           HN       LEU 119 209.642  -4.903  12.741
  991    HA   LEU 119           HA       LEU 119 209.972  -5.449  15.233
  992   1HB   LEU 119          HB2       LEU 119 210.808  -7.037  12.868
  993   2HB   LEU 119          HB1       LEU 119 211.199  -7.666  14.459
  994    HG   LEU 119           HG       LEU 119 208.428  -6.776  14.275
  995   1HD1  LEU 119          HD11      LEU 119 208.673  -9.314  12.856
  996   2HD1  LEU 119          HD12      LEU 119 209.300  -7.941  11.946
  997   3HD1  LEU 119          HD13      LEU 119 207.635  -7.926  12.527
  998   1HD2  LEU 119          HD21      LEU 119 209.703  -9.408  15.002
  999   2HD2  LEU 119          HD22      LEU 119 208.031  -8.940  15.311
 1000   3HD2  LEU 119          HD23      LEU 119 209.349  -8.082  16.112
  Start of MODEL   11
    1   1H    GLY   1          HT1       GLY   1 207.484 -14.274   6.815
    2   2H    GLY   1          HT2       GLY   1 206.306 -14.852   7.882
    3   3H    GLY   1          HT3       GLY   1 207.625 -13.973   8.474
    4   1HA   GLY   1          HA1       GLY   1 206.875 -11.997   7.298
    5   2HA   GLY   1          HA2       GLY   1 205.502 -12.910   6.691
    6    H    SER   2           HN       SER   2 206.829 -11.170   9.346
    7    HA   SER   2           HA       SER   2 204.362 -11.647  10.886
    8   1HB   SER   2          HB2       SER   2 206.833 -12.247  11.772
    9   2HB   SER   2          HB1       SER   2 206.745 -10.562  12.284
   10    HG   SER   2           HG       SER   2 205.751 -12.595  13.538
   11    H    MET   3           HN       MET   3 203.971  -9.842   9.054
   12    HA   MET   3           HA       MET   3 204.729  -7.199   9.965
   13   1HB   MET   3          HB2       MET   3 203.192  -8.234   7.597
   14   2HB   MET   3          HB1       MET   3 203.215  -6.521   7.986
   15   1HG   MET   3          HG2       MET   3 205.775  -6.770   7.958
   16   2HG   MET   3          HG1       MET   3 205.464  -8.277   7.101
   17   1HE   MET   3          HE1       MET   3 205.075  -4.460   7.183
   18   2HE   MET   3          HE2       MET   3 205.282  -4.050   5.481
   19   3HE   MET   3          HE3       MET   3 206.598  -4.824   6.370
   20    H    LYS   4           HN       LYS   4 203.528  -5.879  11.175
   21    HA   LYS   4           HA       LYS   4 200.791  -6.729  11.845
   22   1HB   LYS   4          HB2       LYS   4 202.971  -5.401  13.367
   23   2HB   LYS   4          HB1       LYS   4 201.325  -4.898  13.735
   24   1HG   LYS   4          HG2       LYS   4 201.816  -6.608  15.259
   25   2HG   LYS   4          HG1       LYS   4 200.789  -7.356  14.034
   26   1HD   LYS   4          HD2       LYS   4 202.361  -8.923  13.829
   27   2HD   LYS   4          HD1       LYS   4 203.369  -7.693  13.062
   28   1HE   LYS   4          HE2       LYS   4 203.373  -7.610  15.992
   29   2HE   LYS   4          HE1       LYS   4 204.033  -9.095  15.307
   30   1HZ   LYS   4          HZ1       LYS   4 205.288  -7.378  13.791
   31   2HZ   LYS   4          HZ2       LYS   4 205.883  -7.796  15.318
   32   3HZ   LYS   4          HZ3       LYS   4 205.030  -6.351  15.111
   33    H    PHE   5           HN       PHE   5 199.430  -5.721  10.479
   34    HA   PHE   5           HA       PHE   5 199.792  -2.828  10.052
   35   1HB   PHE   5          HB2       PHE   5 198.642  -4.988   8.305
   36   2HB   PHE   5          HB1       PHE   5 198.236  -3.296   8.039
   37    HD1  PHE   5           HD1      PHE   5 199.318  -2.598   6.134
   38    HD2  PHE   5           HD2      PHE   5 201.441  -4.958   8.959
   39    HE1  PHE   5           HE1      PHE   5 201.376  -2.308   4.824
   40    HE2  PHE   5           HE2      PHE   5 203.498  -4.663   7.664
   41    HZ   PHE   5           HZ       PHE   5 203.474  -3.340   5.589
   42    H    VAL   6           HN       VAL   6 197.585  -1.796   9.382
   43    HA   VAL   6           HA       VAL   6 195.412  -2.801  11.066
   44    HB   VAL   6           HB       VAL   6 195.154  -0.064  11.369
   45   1HG1  VAL   6          HG11      VAL   6 196.443  -1.958  13.324
   46   2HG1  VAL   6          HG12      VAL   6 194.710  -1.860  13.013
   47   3HG1  VAL   6          HG13      VAL   6 195.564  -0.478  13.700
   48   1HG2  VAL   6          HG21      VAL   6 198.060  -0.811  11.596
   49   2HG2  VAL   6          HG22      VAL   6 197.356   0.585  12.411
   50   3HG2  VAL   6          HG23      VAL   6 197.338   0.490  10.651
   51    H    TYR   7           HN       TYR   7 195.953   0.190   9.152
   52    HA   TYR   7           HA       TYR   7 193.405   0.328   8.085
   53   1HB   TYR   7          HB2       TYR   7 195.258   2.064   7.866
   54   2HB   TYR   7          HB1       TYR   7 195.863   1.110   6.514
   55    HD1  TYR   7           HD1      TYR   7 195.177   1.712   4.388
   56    HD2  TYR   7           HD2      TYR   7 192.653   2.611   7.698
   57    HE1  TYR   7           HE1      TYR   7 193.609   2.856   2.878
   58    HE2  TYR   7           HE2      TYR   7 191.080   3.754   6.194
   59    HH   TYR   7           HH       TYR   7 191.778   4.819   3.267
   60    H    LYS   8           HN       LYS   8 196.281  -1.089   6.534
   61    HA   LYS   8           HA       LYS   8 194.910  -2.221   4.349
   62   1HB   LYS   8          HB2       LYS   8 197.347  -1.892   4.356
   63   2HB   LYS   8          HB1       LYS   8 197.505  -3.062   5.657
   64   1HG   LYS   8          HG2       LYS   8 198.111  -4.187   3.683
   65   2HG   LYS   8          HG1       LYS   8 196.500  -4.768   4.106
   66   1HD   LYS   8          HD2       LYS   8 195.662  -2.911   2.527
   67   2HD   LYS   8          HD1       LYS   8 197.317  -2.894   1.916
   68   1HE   LYS   8          HE2       LYS   8 195.538  -5.326   2.040
   69   2HE   LYS   8          HE1       LYS   8 195.816  -4.349   0.599
   70   1HZ   LYS   8          HZ1       LYS   8 198.100  -5.511   2.044
   71   2HZ   LYS   8          HZ2       LYS   8 197.974  -5.085   0.412
   72   3HZ   LYS   8          HZ3       LYS   8 197.202  -6.475   0.985
   73    H    GLU   9           HN       GLU   9 195.641  -3.348   7.587
   74    HA   GLU   9           HA       GLU   9 194.888  -6.039   7.272
   75   1HB   GLU   9          HB2       GLU   9 196.034  -4.564   9.254
   76   2HB   GLU   9          HB1       GLU   9 194.422  -4.821   9.909
   77   1HG   GLU   9          HG2       GLU   9 194.848  -6.939  10.390
   78   2HG   GLU   9          HG1       GLU   9 195.550  -7.243   8.802
   79    H    GLU  10           HN       GLU  10 193.139  -3.518   9.067
   80    HA   GLU  10           HA       GLU  10 190.739  -4.735   9.436
   81   1HB   GLU  10          HB2       GLU  10 191.310  -1.837   8.813
   82   2HB   GLU  10          HB1       GLU  10 189.732  -2.415   9.333
   83   1HG   GLU  10          HG2       GLU  10 190.812  -3.302  11.393
   84   2HG   GLU  10          HG1       GLU  10 192.309  -2.523  10.880
   85    H    HIS  11           HN       HIS  11 191.509  -2.654   6.630
   86    HA   HIS  11           HA       HIS  11 189.120  -3.071   5.233
   87   1HB   HIS  11          HB2       HIS  11 191.908  -2.363   4.353
   88   2HB   HIS  11          HB1       HIS  11 190.615  -2.583   3.178
   89    HD1  HIS  11           HD1      HIS  11 191.054  -0.601   6.407
   90    HD2  HIS  11           HD2      HIS  11 189.418  -0.236   2.604
   91    HE1  HIS  11           HE1      HIS  11 190.118   1.730   6.298
   92    HE2  HIS  11           HE2      HIS  11 189.062   1.901   4.017
   93    HA   PRO  12           HA       PRO  12 189.550  -7.519   4.610
   94   1HB   PRO  12          HB2       PRO  12 187.187  -6.825   2.922
   95   2HB   PRO  12          HB1       PRO  12 187.396  -8.157   4.067
   96   1HG   PRO  12          HG2       PRO  12 185.956  -6.060   4.773
   97   2HG   PRO  12          HG1       PRO  12 187.107  -6.761   5.926
   98   1HD   PRO  12          HD2       PRO  12 187.364  -4.290   4.260
   99   2HD   PRO  12          HD1       PRO  12 187.857  -4.571   5.941
  100    H    PHE  13           HN       PHE  13 189.100  -8.822   2.415
  101    HA   PHE  13           HA       PHE  13 191.122  -7.921   0.625
  102   1HB   PHE  13          HB2       PHE  13 190.421 -10.350   1.274
  103   2HB   PHE  13          HB1       PHE  13 189.250 -10.167  -0.027
  104    HD1  PHE  13           HD1      PHE  13 190.269  -9.265  -2.291
  105    HD2  PHE  13           HD2      PHE  13 192.478 -11.223   0.777
  106    HE1  PHE  13           HE1      PHE  13 192.000  -9.882  -3.931
  107    HE2  PHE  13           HE2      PHE  13 194.210 -11.841  -0.856
  108    HZ   PHE  13           HZ       PHE  13 193.974 -11.172  -3.211
  109    H    GLU  14           HN       GLU  14 187.634  -8.492   0.217
  110    HA   GLU  14           HA       GLU  14 187.293  -7.799  -2.398
  111   1HB   GLU  14          HB2       GLU  14 185.636  -8.064  -0.110
  112   2HB   GLU  14          HB1       GLU  14 185.180  -6.563  -0.906
  113   1HG   GLU  14          HG2       GLU  14 185.488  -9.066  -2.505
  114   2HG   GLU  14          HG1       GLU  14 184.023  -8.789  -1.564
  115    H    LYS  15           HN       LYS  15 188.037  -5.688   0.249
  116    HA   LYS  15           HA       LYS  15 187.277  -3.246  -0.960
  117   1HB   LYS  15          HB2       LYS  15 189.115  -3.936   1.306
  118   2HB   LYS  15          HB1       LYS  15 188.857  -2.281   0.777
  119   1HG   LYS  15          HG2       LYS  15 187.477  -2.998   2.712
  120   2HG   LYS  15          HG1       LYS  15 186.554  -2.384   1.338
  121   1HD   LYS  15          HD2       LYS  15 185.937  -4.583   0.687
  122   2HD   LYS  15          HD1       LYS  15 187.077  -5.289   1.833
  123   1HE   LYS  15          HE2       LYS  15 185.240  -5.486   3.113
  124   2HE   LYS  15          HE1       LYS  15 185.626  -3.814   3.512
  125   1HZ   LYS  15          HZ1       LYS  15 183.478  -3.531   2.920
  126   2HZ   LYS  15          HZ2       LYS  15 183.446  -4.884   1.904
  127   3HZ   LYS  15          HZ3       LYS  15 184.136  -3.437   1.363
  128    H    ARG  16           HN       ARG  16 190.611  -4.249  -0.213
  129    HA   ARG  16           HA       ARG  16 191.834  -2.471  -1.963
  130   1HB   ARG  16          HB2       ARG  16 193.638  -4.502  -1.994
  131   2HB   ARG  16          HB1       ARG  16 193.506  -3.315  -0.711
  132   1HG   ARG  16          HG2       ARG  16 191.773  -5.665  -0.403
  133   2HG   ARG  16          HG1       ARG  16 193.505  -5.990  -0.343
  134   1HD   ARG  16          HD2       ARG  16 192.389  -5.478   1.869
  135   2HD   ARG  16          HD1       ARG  16 193.820  -4.534   1.482
  136    HE   ARG  16           HE       ARG  16 191.061  -3.576   1.544
  137   1HH1  ARG  16          HH11      ARG  16 194.447  -2.883   1.010
  138   2HH1  ARG  16          HH12      ARG  16 194.237  -1.170   1.124
  139   1HH2  ARG  16          HH21      ARG  16 190.795  -1.322   1.681
  140   2HH2  ARG  16          HH22      ARG  16 192.170  -0.284   1.503
  141    H    ARG  17           HN       ARG  17 190.513  -5.662  -2.551
  142    HA   ARG  17           HA       ARG  17 191.582  -6.035  -5.143
  143   1HB   ARG  17          HB2       ARG  17 190.489  -7.782  -3.645
  144   2HB   ARG  17          HB1       ARG  17 188.945  -7.122  -4.167
  145   1HG   ARG  17          HG2       ARG  17 189.597  -7.606  -6.515
  146   2HG   ARG  17          HG1       ARG  17 191.045  -8.406  -5.897
  147   1HD   ARG  17          HD2       ARG  17 189.833 -10.134  -4.935
  148   2HD   ARG  17          HD1       ARG  17 188.340  -9.198  -4.900
  149    HE   ARG  17           HE       ARG  17 187.908  -9.840  -7.066
  150   1HH1  ARG  17          HH11      ARG  17 191.185 -10.710  -6.229
  151   2HH1  ARG  17          HH12      ARG  17 191.422 -11.676  -7.646
  152   1HH2  ARG  17          HH21      ARG  17 188.221 -11.111  -8.928
  153   2HH2  ARG  17          HH22      ARG  17 189.741 -11.903  -9.178
  154    H    SER  18           HN       SER  18 188.352  -4.967  -4.085
  155    HA   SER  18           HA       SER  18 187.280  -4.369  -6.544
  156   1HB   SER  18          HB2       SER  18 185.780  -4.340  -4.737
  157   2HB   SER  18          HB1       SER  18 186.793  -3.244  -3.798
  158    HG   SER  18           HG       SER  18 184.922  -2.695  -5.748
  159    H    GLU  19           HN       GLU  19 188.634  -1.978  -4.275
  160    HA   GLU  19           HA       GLU  19 188.684   0.202  -5.958
  161   1HB   GLU  19          HB2       GLU  19 189.711  -0.472  -3.409
  162   2HB   GLU  19          HB1       GLU  19 191.019   0.269  -4.317
  163   1HG   GLU  19          HG2       GLU  19 189.967   2.287  -4.459
  164   2HG   GLU  19          HG1       GLU  19 188.357   1.577  -4.337
  165    H    GLY  20           HN       GLY  20 191.292  -2.151  -5.399
  166   1HA   GLY  20          HA2       GLY  20 193.191  -1.043  -7.108
  167   2HA   GLY  20          HA1       GLY  20 193.092  -2.747  -6.689
  168    H    GLU  21           HN       GLU  21 190.721  -3.499  -7.841
  169    HA   GLU  21           HA       GLU  21 191.432  -3.990 -10.471
  170   1HB   GLU  21          HB2       GLU  21 189.881  -5.454  -9.546
  171   2HB   GLU  21          HB1       GLU  21 188.841  -4.155  -8.976
  172   1HG   GLU  21          HG2       GLU  21 187.777  -3.955 -10.949
  173   2HG   GLU  21          HG1       GLU  21 189.212  -4.356 -11.890
  174    H    LYS  22           HN       LYS  22 189.950  -1.193  -9.094
  175    HA   LYS  22           HA       LYS  22 189.065  -0.244 -11.706
  176   1HB   LYS  22          HB2       LYS  22 187.416   0.278 -10.176
  177   2HB   LYS  22          HB1       LYS  22 188.561   0.585  -8.881
  178   1HG   LYS  22          HG2       LYS  22 188.610   2.443 -11.183
  179   2HG   LYS  22          HG1       LYS  22 187.207   2.518 -10.115
  180   1HD   LYS  22          HD2       LYS  22 189.402   2.374  -8.400
  181   2HD   LYS  22          HD1       LYS  22 189.909   3.468  -9.689
  182   1HE   LYS  22          HE2       LYS  22 188.102   4.933  -9.291
  183   2HE   LYS  22          HE1       LYS  22 187.266   3.750  -8.286
  184   1HZ   LYS  22          HZ1       LYS  22 188.504   5.661  -7.149
  185   2HZ   LYS  22          HZ2       LYS  22 189.912   4.793  -7.501
  186   3HZ   LYS  22          HZ3       LYS  22 188.714   4.100  -6.530
  187    H    ILE  23           HN       ILE  23 191.201   0.733  -9.056
  188    HA   ILE  23           HA       ILE  23 192.288   3.016 -10.262
  189    HB   ILE  23           HB       ILE  23 193.315   1.109  -8.173
  190   1HG1  ILE  23          HG12      ILE  23 192.704   4.010  -7.780
  191   2HG1  ILE  23          HG11      ILE  23 191.379   2.859  -7.916
  192   1HG2  ILE  23          HG21      ILE  23 195.247   2.316  -7.791
  193   2HG2  ILE  23          HG22      ILE  23 194.665   3.725  -8.670
  194   3HG2  ILE  23          HG23      ILE  23 195.173   2.284  -9.550
  195   1HD1  ILE  23          HD11      ILE  23 192.889   3.509  -5.645
  196   2HD1  ILE  23          HD12      ILE  23 193.306   1.851  -6.076
  197   3HD1  ILE  23          HD13      ILE  23 191.622   2.295  -5.800
  198    H    ARG  24           HN       ARG  24 192.856  -0.361 -10.770
  199    HA   ARG  24           HA       ARG  24 195.366  -0.015 -12.146
  200   1HB   ARG  24          HB2       ARG  24 193.504  -2.370 -11.811
  201   2HB   ARG  24          HB1       ARG  24 195.020  -2.453 -12.703
  202   1HG   ARG  24          HG2       ARG  24 194.779  -1.698  -9.798
  203   2HG   ARG  24          HG1       ARG  24 195.193  -3.305 -10.393
  204   1HD   ARG  24          HD2       ARG  24 196.760  -0.823 -11.060
  205   2HD   ARG  24          HD1       ARG  24 197.137  -1.875  -9.698
  206    HE   ARG  24           HE       ARG  24 197.092  -3.586 -11.783
  207   1HH1  ARG  24          HH11      ARG  24 198.720  -0.545 -11.253
  208   2HH1  ARG  24          HH12      ARG  24 200.069  -0.948 -12.262
  209   1HH2  ARG  24          HH21      ARG  24 198.865  -4.119 -13.110
  210   2HH2  ARG  24          HH22      ARG  24 200.151  -2.977 -13.317
  211    H    LYS  25           HN       LYS  25 192.003  -0.682 -12.995
  212    HA   LYS  25           HA       LYS  25 192.465  -0.847 -15.803
  213   1HB   LYS  25          HB2       LYS  25 189.956  -0.399 -14.189
  214   2HB   LYS  25          HB1       LYS  25 189.985  -0.745 -15.917
  215   1HG   LYS  25          HG2       LYS  25 190.935  -2.916 -15.521
  216   2HG   LYS  25          HG1       LYS  25 191.115  -2.562 -13.799
  217   1HD   LYS  25          HD2       LYS  25 189.175  -3.934 -14.055
  218   2HD   LYS  25          HD1       LYS  25 188.621  -2.297 -13.693
  219   1HE   LYS  25          HE2       LYS  25 188.680  -2.183 -16.378
  220   2HE   LYS  25          HE1       LYS  25 188.343  -3.900 -16.158
  221   1HZ   LYS  25          HZ1       LYS  25 186.603  -2.854 -14.454
  222   2HZ   LYS  25          HZ2       LYS  25 186.235  -3.145 -16.079
  223   3HZ   LYS  25          HZ3       LYS  25 186.673  -1.590 -15.577
  224    H    LYS  26           HN       LYS  26 191.380   1.664 -13.593
  225    HA   LYS  26           HA       LYS  26 190.846   3.565 -15.649
  226   1HB   LYS  26          HB2       LYS  26 189.995   3.346 -13.129
  227   2HB   LYS  26          HB1       LYS  26 191.321   4.473 -12.874
  228   1HG   LYS  26          HG2       LYS  26 190.360   6.086 -14.279
  229   2HG   LYS  26          HG1       LYS  26 189.220   4.922 -14.962
  230   1HD   LYS  26          HD2       LYS  26 187.868   4.947 -13.092
  231   2HD   LYS  26          HD1       LYS  26 189.167   5.497 -12.032
  232   1HE   LYS  26          HE2       LYS  26 187.541   7.270 -12.390
  233   2HE   LYS  26          HE1       LYS  26 189.098   7.700 -13.094
  234   1HZ   LYS  26          HZ1       LYS  26 187.812   8.212 -14.852
  235   2HZ   LYS  26          HZ2       LYS  26 186.556   7.174 -14.398
  236   3HZ   LYS  26          HZ3       LYS  26 187.922   6.555 -15.181
  237    H    TYR  27           HN       TYR  27 193.484   2.861 -13.456
  238    HA   TYR  27           HA       TYR  27 195.121   4.846 -14.892
  239   1HB   TYR  27          HB2       TYR  27 195.863   4.041 -12.118
  240   2HB   TYR  27          HB1       TYR  27 196.142   5.564 -12.953
  241    HD1  TYR  27           HD1      TYR  27 193.374   6.240 -13.803
  242    HD2  TYR  27           HD2      TYR  27 194.838   4.671 -10.133
  243    HE1  TYR  27           HE1      TYR  27 191.453   7.224 -12.623
  244    HE2  TYR  27           HE2      TYR  27 192.920   5.645  -8.939
  245    HH   TYR  27           HH       TYR  27 190.798   7.906 -10.416
  246    HA   PRO  28           HA       PRO  28 197.099   0.814 -15.699
  247   1HB   PRO  28          HB2       PRO  28 198.076   2.102 -18.124
  248   2HB   PRO  28          HB1       PRO  28 197.000   0.715 -17.959
  249   1HG   PRO  28          HG2       PRO  28 196.156   3.118 -18.883
  250   2HG   PRO  28          HG1       PRO  28 195.105   2.015 -17.977
  251   1HD   PRO  28          HD2       PRO  28 196.576   4.444 -17.019
  252   2HD   PRO  28          HD1       PRO  28 194.915   3.919 -16.663
  253    H    ASP  29           HN       ASP  29 198.341   4.004 -15.369
  254    HA   ASP  29           HA       ASP  29 201.101   2.988 -15.340
  255   1HB   ASP  29          HB2       ASP  29 199.993   5.769 -15.701
  256   2HB   ASP  29          HB1       ASP  29 201.700   5.459 -15.400
  257    H    ARG  30           HN       ARG  30 198.718   3.340 -13.195
  258    HA   ARG  30           HA       ARG  30 200.526   4.299 -11.070
  259   1HB   ARG  30          HB2       ARG  30 197.559   4.635 -11.424
  260   2HB   ARG  30          HB1       ARG  30 198.303   4.761  -9.837
  261   1HG   ARG  30          HG2       ARG  30 199.771   6.381 -11.658
  262   2HG   ARG  30          HG1       ARG  30 198.054   6.745 -11.825
  263   1HD   ARG  30          HD2       ARG  30 197.895   7.082  -9.408
  264   2HD   ARG  30          HD1       ARG  30 199.616   6.733  -9.248
  265    HE   ARG  30           HE       ARG  30 200.085   8.848 -10.002
  266   1HH1  ARG  30          HH11      ARG  30 196.729   8.129 -10.635
  267   2HH1  ARG  30          HH12      ARG  30 196.340   9.750 -11.104
  268   1HH2  ARG  30          HH21      ARG  30 199.575  10.981 -10.618
  269   2HH2  ARG  30          HH22      ARG  30 197.956  11.369 -11.095
  270    H    VAL  31           HN       VAL  31 200.614   3.145  -9.144
  271    HA   VAL  31           HA       VAL  31 199.210   0.559  -9.163
  272    HB   VAL  31           HB       VAL  31 201.080  -0.464  -7.992
  273   1HG1  VAL  31          HG11      VAL  31 200.993   0.218 -10.665
  274   2HG1  VAL  31          HG12      VAL  31 202.017  -1.013  -9.926
  275   3HG1  VAL  31          HG13      VAL  31 202.641   0.617 -10.178
  276   1HG2  VAL  31          HG21      VAL  31 203.219   1.295  -8.384
  277   2HG2  VAL  31          HG22      VAL  31 202.506   0.797  -6.848
  278   3HG2  VAL  31          HG23      VAL  31 201.941   2.266  -7.652
  279    HA   PRO  32           HA       PRO  32 197.512   2.349  -5.378
  280   1HB   PRO  32          HB2       PRO  32 196.074   0.098  -4.700
  281   2HB   PRO  32          HB1       PRO  32 195.495   1.355  -5.798
  282   1HG   PRO  32          HG2       PRO  32 196.724  -1.292  -6.427
  283   2HG   PRO  32          HG1       PRO  32 195.372  -0.468  -7.222
  284   1HD   PRO  32          HD2       PRO  32 197.845  -0.508  -8.283
  285   2HD   PRO  32          HD1       PRO  32 196.773   0.898  -8.456
  286    H    VAL  33           HN       VAL  33 199.025   2.478  -3.815
  287    HA   VAL  33           HA       VAL  33 200.127  -0.029  -2.747
  288    HB   VAL  33           HB       VAL  33 201.321   2.745  -2.756
  289   1HG1  VAL  33          HG11      VAL  33 203.260   1.845  -1.676
  290   2HG1  VAL  33          HG12      VAL  33 202.570   0.226  -1.680
  291   3HG1  VAL  33          HG13      VAL  33 201.850   1.485  -0.682
  292   1HG2  VAL  33          HG21      VAL  33 203.020   1.750  -4.206
  293   2HG2  VAL  33          HG22      VAL  33 201.411   1.611  -4.911
  294   3HG2  VAL  33          HG23      VAL  33 202.170   0.201  -4.158
  295    H    ILE  34           HN       ILE  34 200.319  -0.346  -0.550
  296    HA   ILE  34           HA       ILE  34 198.855   1.533   1.179
  297    HB   ILE  34           HB       ILE  34 198.947  -1.448   1.669
  298   1HG1  ILE  34          HG12      ILE  34 197.732  -1.057  -0.416
  299   2HG1  ILE  34          HG11      ILE  34 196.586  -1.441   0.866
  300   1HG2  ILE  34          HG21      ILE  34 196.847  -0.656   3.019
  301   2HG2  ILE  34          HG22      ILE  34 197.634   0.918   2.931
  302   3HG2  ILE  34          HG23      ILE  34 198.467  -0.440   3.687
  303   1HD1  ILE  34          HD11      ILE  34 196.064   0.495  -0.749
  304   2HD1  ILE  34          HD12      ILE  34 197.229   1.401   0.216
  305   3HD1  ILE  34          HD13      ILE  34 195.788   0.724   0.979
  306    H    VAL  35           HN       VAL  35 201.033   2.432   1.414
  307    HA   VAL  35           HA       VAL  35 203.170   1.060   2.593
  308    HB   VAL  35           HB       VAL  35 202.489   3.984   2.904
  309   1HG1  VAL  35          HG11      VAL  35 205.057   4.100   3.030
  310   2HG1  VAL  35          HG12      VAL  35 204.963   2.384   3.429
  311   3HG1  VAL  35          HG13      VAL  35 204.163   3.575   4.458
  312   1HG2  VAL  35          HG21      VAL  35 204.049   4.280   0.987
  313   2HG2  VAL  35          HG22      VAL  35 202.555   3.440   0.572
  314   3HG2  VAL  35          HG23      VAL  35 204.051   2.529   0.781
  315    H    GLU  36           HN       GLU  36 204.000   1.269   4.803
  316    HA   GLU  36           HA       GLU  36 202.071   1.913   6.879
  317   1HB   GLU  36          HB2       GLU  36 202.311  -0.717   5.948
  318   2HB   GLU  36          HB1       GLU  36 203.211  -0.688   7.457
  319   1HG   GLU  36          HG2       GLU  36 200.801   0.721   7.888
  320   2HG   GLU  36          HG1       GLU  36 200.395  -0.770   7.046
  321    H    LYS  37           HN       LYS  37 203.028   1.916   9.032
  322    HA   LYS  37           HA       LYS  37 205.895   2.493   8.887
  323   1HB   LYS  37          HB2       LYS  37 204.140   4.128   9.876
  324   2HB   LYS  37          HB1       LYS  37 204.142   3.055  11.269
  325   1HG   LYS  37          HG2       LYS  37 206.841   3.611  10.645
  326   2HG   LYS  37          HG1       LYS  37 205.964   5.142  10.613
  327   1HD   LYS  37          HD2       LYS  37 206.755   4.798  12.842
  328   2HD   LYS  37          HD1       LYS  37 205.009   4.546  12.848
  329   1HE   LYS  37          HE2       LYS  37 205.211   2.249  13.072
  330   2HE   LYS  37          HE1       LYS  37 206.867   2.240  12.467
  331   1HZ   LYS  37          HZ1       LYS  37 206.229   2.061  15.047
  332   2HZ   LYS  37          HZ2       LYS  37 206.435   3.734  14.915
  333   3HZ   LYS  37          HZ3       LYS  37 207.698   2.692  14.493
  334    H    ALA  38           HN       ALA  38 206.781   0.489   8.966
  335    HA   ALA  38           HA       ALA  38 206.182  -1.771  10.259
  336   1HB   ALA  38          HB1       ALA  38 208.984  -0.691  10.350
  337   2HB   ALA  38          HB2       ALA  38 208.218  -1.255   8.856
  338   3HB   ALA  38          HB3       ALA  38 208.459  -2.373  10.199
  339    HA   PRO  39           HA       PRO  39 205.801  -1.083  14.635
  340   1HB   PRO  39          HB2       PRO  39 206.914  -3.608  15.297
  341   2HB   PRO  39          HB1       PRO  39 205.203  -3.196  15.178
  342   1HG   PRO  39          HG2       PRO  39 206.953  -4.569  13.244
  343   2HG   PRO  39          HG1       PRO  39 205.200  -4.677  13.454
  344   1HD   PRO  39          HD2       PRO  39 206.357  -3.385  11.381
  345   2HD   PRO  39          HD1       PRO  39 204.799  -2.888  12.073
  346    H    LYS  40           HN       LYS  40 207.214  -0.998  16.550
  347    HA   LYS  40           HA       LYS  40 209.138  -0.481  17.632
  348   1HB   LYS  40          HB2       LYS  40 210.143  -2.372  15.540
  349   2HB   LYS  40          HB1       LYS  40 211.282  -1.535  16.586
  350   1HG   LYS  40          HG2       LYS  40 210.988  -3.377  17.852
  351   2HG   LYS  40          HG1       LYS  40 209.609  -2.453  18.449
  352   1HD   LYS  40          HD2       LYS  40 208.653  -3.747  16.179
  353   2HD   LYS  40          HD1       LYS  40 209.668  -4.951  16.975
  354   1HE   LYS  40          HE2       LYS  40 207.885  -5.369  18.252
  355   2HE   LYS  40          HE1       LYS  40 208.275  -3.858  19.071
  356   1HZ   LYS  40          HZ1       LYS  40 206.190  -4.410  17.082
  357   2HZ   LYS  40          HZ2       LYS  40 206.849  -2.855  17.150
  358   3HZ   LYS  40          HZ3       LYS  40 206.100  -3.515  18.515
  359    H    ALA  41           HN       ALA  41 209.220   0.070  14.131
  360    HA   ALA  41           HA       ALA  41 211.347   1.618  13.660
  361   1HB   ALA  41          HB1       ALA  41 210.179   2.695  11.936
  362   2HB   ALA  41          HB2       ALA  41 208.641   2.585  12.787
  363   3HB   ALA  41          HB3       ALA  41 209.381   1.129  12.109
  364    H    ARG  42           HN       ARG  42 212.183   3.495  14.293
  365    HA   ARG  42           HA       ARG  42 210.862   4.950  16.433
  366   1HB   ARG  42          HB2       ARG  42 213.616   5.522  15.366
  367   2HB   ARG  42          HB1       ARG  42 212.976   5.867  16.966
  368   1HG   ARG  42          HG2       ARG  42 213.399   3.787  17.734
  369   2HG   ARG  42          HG1       ARG  42 213.058   3.022  16.181
  370   1HD   ARG  42          HD2       ARG  42 215.329   2.708  16.354
  371   2HD   ARG  42          HD1       ARG  42 215.257   4.206  15.433
  372    HE   ARG  42           HE       ARG  42 216.066   3.901  18.222
  373   1HH1  ARG  42          HH11      ARG  42 215.481   6.026  15.507
  374   2HH1  ARG  42          HH12      ARG  42 216.355   7.347  16.200
  375   1HH2  ARG  42          HH21      ARG  42 217.213   5.643  19.125
  376   2HH2  ARG  42          HH22      ARG  42 217.338   7.132  18.249
  377    H    ILE  43           HN       ILE  43 209.779   5.172  13.899
  378    HA   ILE  43           HA       ILE  43 210.296   7.994  13.223
  379    HB   ILE  43           HB       ILE  43 209.200   7.219  10.983
  380   1HG1  ILE  43          HG12      ILE  43 210.408   4.643  11.999
  381   2HG1  ILE  43          HG11      ILE  43 208.683   4.946  11.809
  382   1HG2  ILE  43          HG21      ILE  43 211.365   8.117  10.939
  383   2HG2  ILE  43          HG22      ILE  43 211.516   6.535  10.172
  384   3HG2  ILE  43          HG23      ILE  43 212.035   6.759  11.842
  385   1HD1  ILE  43          HD11      ILE  43 210.697   4.235   9.831
  386   2HD1  ILE  43          HD12      ILE  43 209.623   5.546   9.339
  387   3HD1  ILE  43          HD13      ILE  43 208.949   3.988   9.827
  388    H    GLY  44           HN       GLY  44 208.375   9.039  12.161
  389   1HA   GLY  44          HA2       GLY  44 206.171   8.971  13.923
  390   2HA   GLY  44          HA1       GLY  44 206.231   9.832  12.394
  391    H    ASP  45           HN       ASP  45 204.172   8.073  13.807
  392    HA   ASP  45           HA       ASP  45 203.850   5.824  12.043
  393   1HB   ASP  45          HB2       ASP  45 201.874   6.978  14.018
  394   2HB   ASP  45          HB1       ASP  45 201.815   5.377  13.286
  395    H    LEU  46           HN       LEU  46 202.719   5.713  10.215
  396    HA   LEU  46           HA       LEU  46 201.461   8.147   9.237
  397   1HB   LEU  46          HB2       LEU  46 202.634   5.723   8.029
  398   2HB   LEU  46          HB1       LEU  46 201.253   6.392   7.182
  399    HG   LEU  46           HG       LEU  46 203.879   7.755   7.754
  400   1HD1  LEU  46          HD11      LEU  46 202.623   6.453   5.431
  401   2HD1  LEU  46          HD12      LEU  46 204.327   6.671   5.835
  402   3HD1  LEU  46          HD13      LEU  46 203.418   7.997   5.111
  403   1HD2  LEU  46          HD21      LEU  46 201.288   8.928   7.471
  404   2HD2  LEU  46          HD22      LEU  46 202.271   9.337   6.067
  405   3HD2  LEU  46          HD23      LEU  46 202.849   9.717   7.689
  406    H    ASP  47           HN       ASP  47 199.343   8.375   8.789
  407    HA   ASP  47           HA       ASP  47 197.571   6.165   9.559
  408   1HB   ASP  47          HB2       ASP  47 197.061   7.969  10.922
  409   2HB   ASP  47          HB1       ASP  47 197.252   9.143   9.626
  410    H    LYS  48           HN       LYS  48 198.744   7.894   6.915
  411    HA   LYS  48           HA       LYS  48 196.496   7.892   5.198
  412   1HB   LYS  48          HB2       LYS  48 198.478   9.306   4.844
  413   2HB   LYS  48          HB1       LYS  48 199.450   7.874   4.543
  414   1HG   LYS  48          HG2       LYS  48 198.245   7.403   2.530
  415   2HG   LYS  48          HG1       LYS  48 197.088   8.693   2.869
  416   1HD   LYS  48          HD2       LYS  48 198.983  10.317   2.769
  417   2HD   LYS  48          HD1       LYS  48 200.026   8.995   2.245
  418   1HE   LYS  48          HE2       LYS  48 199.119   8.924   0.169
  419   2HE   LYS  48          HE1       LYS  48 197.509   9.354   0.742
  420   1HZ   LYS  48          HZ1       LYS  48 199.663  11.062  -0.177
  421   2HZ   LYS  48          HZ2       LYS  48 198.836  11.625   1.188
  422   3HZ   LYS  48          HZ3       LYS  48 197.988  11.299  -0.240
  423    H    LYS  49           HN       LYS  49 199.401   5.836   5.114
  424    HA   LYS  49           HA       LYS  49 199.744   3.679   4.538
  425   1HB   LYS  49          HB2       LYS  49 196.819   3.581   5.170
  426   2HB   LYS  49          HB1       LYS  49 197.576   2.189   4.404
  427   1HG   LYS  49          HG2       LYS  49 199.140   3.134   6.637
  428   2HG   LYS  49          HG1       LYS  49 197.481   2.763   7.114
  429   1HD   LYS  49          HD2       LYS  49 198.037   0.636   5.536
  430   2HD   LYS  49          HD1       LYS  49 199.635   0.977   6.200
  431   1HE   LYS  49          HE2       LYS  49 197.105   0.297   7.661
  432   2HE   LYS  49          HE1       LYS  49 198.649  -0.547   7.693
  433   1HZ   LYS  49          HZ1       LYS  49 198.956   0.588   9.580
  434   2HZ   LYS  49          HZ2       LYS  49 197.777   1.746   9.215
  435   3HZ   LYS  49          HZ3       LYS  49 199.335   1.895   8.574
  436    H    LYS  50           HN       LYS  50 196.756   4.778   2.892
  437    HA   LYS  50           HA       LYS  50 197.316   3.321   0.525
  438   1HB   LYS  50          HB2       LYS  50 195.056   4.214   1.364
  439   2HB   LYS  50          HB1       LYS  50 195.542   5.747   0.652
  440   1HG   LYS  50          HG2       LYS  50 194.507   4.964  -1.169
  441   2HG   LYS  50          HG1       LYS  50 196.000   4.059  -1.414
  442   1HD   LYS  50          HD2       LYS  50 194.749   2.214  -1.392
  443   2HD   LYS  50          HD1       LYS  50 194.538   2.486   0.338
  444   1HE   LYS  50          HE2       LYS  50 192.407   2.148  -0.872
  445   2HE   LYS  50          HE1       LYS  50 192.505   3.704  -0.048
  446   1HZ   LYS  50          HZ1       LYS  50 193.400   3.668  -2.812
  447   2HZ   LYS  50          HZ2       LYS  50 192.491   4.828  -1.983
  448   3HZ   LYS  50          HZ3       LYS  50 191.741   3.432  -2.575
  449    H    TYR  51           HN       TYR  51 198.184   3.927  -1.403
  450    HA   TYR  51           HA       TYR  51 199.063   6.653  -1.847
  451   1HB   TYR  51          HB2       TYR  51 200.992   4.367  -1.477
  452   2HB   TYR  51          HB1       TYR  51 201.417   5.817  -2.381
  453    HD1  TYR  51           HD1      TYR  51 201.664   7.963  -1.241
  454    HD2  TYR  51           HD2      TYR  51 200.770   4.408   0.901
  455    HE1  TYR  51           HE1      TYR  51 202.275   9.088   0.858
  456    HE2  TYR  51           HE2      TYR  51 201.374   5.520   3.015
  457    HH   TYR  51           HH       TYR  51 203.090   8.358   3.168
  458    H    LEU  52           HN       LEU  52 198.593   7.099  -3.887
  459    HA   LEU  52           HA       LEU  52 198.454   4.882  -5.806
  460   1HB   LEU  52          HB2       LEU  52 196.589   6.743  -5.326
  461   2HB   LEU  52          HB1       LEU  52 197.521   7.615  -6.528
  462    HG   LEU  52           HG       LEU  52 197.163   5.836  -8.153
  463   1HD1  LEU  52          HD11      LEU  52 196.595   4.290  -5.854
  464   2HD1  LEU  52          HD12      LEU  52 196.658   3.767  -7.537
  465   3HD1  LEU  52          HD13      LEU  52 195.134   4.319  -6.842
  466   1HD2  LEU  52          HD21      LEU  52 194.415   6.209  -7.131
  467   2HD2  LEU  52          HD22      LEU  52 195.091   6.537  -8.726
  468   3HD2  LEU  52          HD23      LEU  52 195.357   7.675  -7.406
  469    H    VAL  53           HN       VAL  53 200.812   4.912  -5.784
  470    HA   VAL  53           HA       VAL  53 202.096   7.138  -7.143
  471    HB   VAL  53           HB       VAL  53 204.090   5.353  -6.957
  472   1HG1  VAL  53          HG11      VAL  53 203.366   6.744  -4.425
  473   2HG1  VAL  53          HG12      VAL  53 203.621   7.708  -5.880
  474   3HG1  VAL  53          HG13      VAL  53 204.910   6.671  -5.275
  475   1HG2  VAL  53          HG21      VAL  53 202.520   4.710  -4.484
  476   2HG2  VAL  53          HG22      VAL  53 203.958   3.920  -5.125
  477   3HG2  VAL  53          HG23      VAL  53 202.408   3.714  -5.935
  478    HA   PRO  54           HA       PRO  54 202.081   5.608 -11.260
  479   1HB   PRO  54          HB2       PRO  54 205.033   5.969 -11.270
  480   2HB   PRO  54          HB1       PRO  54 203.817   6.618 -12.376
  481   1HG   PRO  54          HG2       PRO  54 204.974   8.180 -10.552
  482   2HG   PRO  54          HG1       PRO  54 203.255   8.357 -10.948
  483   1HD   PRO  54          HD2       PRO  54 204.533   7.092  -8.564
  484   2HD   PRO  54          HD1       PRO  54 203.039   8.045  -8.672
  485    H    SER  55           HN       SER  55 203.706   4.134 -12.690
  486    HA   SER  55           HA       SER  55 204.167   1.727 -11.057
  487   1HB   SER  55          HB2       SER  55 203.160   2.083 -13.864
  488   2HB   SER  55          HB1       SER  55 203.951   0.579 -13.395
  489    HG   SER  55           HG       SER  55 202.205   0.028 -12.385
  490    H    ASP  56           HN       ASP  56 205.717   4.142 -12.786
  491    HA   ASP  56           HA       ASP  56 208.044   2.442 -13.351
  492   1HB   ASP  56          HB2       ASP  56 206.953   4.033 -15.124
  493   2HB   ASP  56          HB1       ASP  56 207.807   5.299 -14.245
  494    H    LEU  57           HN       LEU  57 206.765   4.454 -11.058
  495    HA   LEU  57           HA       LEU  57 208.879   6.083 -10.267
  496   1HB   LEU  57          HB2       LEU  57 206.590   6.302  -9.427
  497   2HB   LEU  57          HB1       LEU  57 206.761   4.785  -8.563
  498    HG   LEU  57           HG       LEU  57 208.856   6.111  -7.536
  499   1HD1  LEU  57          HD11      LEU  57 206.794   8.262  -7.927
  500   2HD1  LEU  57          HD12      LEU  57 208.241   8.107  -8.922
  501   3HD1  LEU  57          HD13      LEU  57 208.390   8.407  -7.190
  502   1HD2  LEU  57          HD21      LEU  57 207.487   5.217  -5.958
  503   2HD2  LEU  57          HD22      LEU  57 206.020   5.820  -6.729
  504   3HD2  LEU  57          HD23      LEU  57 207.032   6.911  -5.780
  505    H    THR  58           HN       THR  58 210.860   5.489  -9.714
  506    HA   THR  58           HA       THR  58 211.539   2.831  -8.956
  507    HB   THR  58           HB       THR  58 213.740   4.230  -8.260
  508    HG1  THR  58           HG1      THR  58 212.658   5.797 -10.338
  509   1HG2  THR  58          HG21      THR  58 212.873   2.827 -10.575
  510   2HG2  THR  58          HG22      THR  58 214.511   3.060  -9.961
  511   3HG2  THR  58          HG23      THR  58 213.809   4.237 -11.072
  512    H    VAL  59           HN       VAL  59 212.151   1.999  -7.007
  513    HA   VAL  59           HA       VAL  59 210.779   2.662  -4.738
  514    HB   VAL  59           HB       VAL  59 213.374   1.218  -5.142
  515   1HG1  VAL  59          HG11      VAL  59 212.060   1.870  -2.515
  516   2HG1  VAL  59          HG12      VAL  59 213.749   2.076  -2.980
  517   3HG1  VAL  59          HG13      VAL  59 213.098   0.458  -2.719
  518   1HG2  VAL  59          HG21      VAL  59 212.135  -0.672  -5.085
  519   2HG2  VAL  59          HG22      VAL  59 210.858   0.435  -5.587
  520   3HG2  VAL  59          HG23      VAL  59 211.005  -0.029  -3.893
  521    H    GLY  60           HN       GLY  60 213.891   3.923  -5.820
  522   1HA   GLY  60          HA2       GLY  60 214.626   5.277  -3.464
  523   2HA   GLY  60          HA1       GLY  60 215.146   5.706  -5.090
  524    H    GLN  61           HN       GLN  61 212.446   6.109  -6.067
  525    HA   GLN  61           HA       GLN  61 212.112   8.849  -5.306
  526   1HB   GLN  61          HB2       GLN  61 210.452   7.059  -7.075
  527   2HB   GLN  61          HB1       GLN  61 210.224   8.796  -6.898
  528   1HG   GLN  61          HG2       GLN  61 212.556   9.109  -7.667
  529   2HG   GLN  61          HG1       GLN  61 212.621   7.382  -8.010
  530   1HE2  GLN  61          HE21      GLN  61 210.013   7.060  -8.980
  531   2HE2  GLN  61          HE22      GLN  61 209.891   7.854 -10.511
  532    H    PHE  62           HN       PHE  62 210.179   5.889  -4.964
  533    HA   PHE  62           HA       PHE  62 207.965   6.883  -3.656
  534   1HB   PHE  62          HB2       PHE  62 208.494   4.475  -4.407
  535   2HB   PHE  62          HB1       PHE  62 209.250   4.291  -2.828
  536    HD1  PHE  62           HD1      PHE  62 206.175   6.149  -3.743
  537    HD2  PHE  62           HD2      PHE  62 207.856   2.824  -1.694
  538    HE1  PHE  62           HE1      PHE  62 203.973   5.642  -2.773
  539    HE2  PHE  62           HE2      PHE  62 205.656   2.310  -0.715
  540    HZ   PHE  62           HZ       PHE  62 203.712   3.722  -1.260
  541    H    TYR  63           HN       TYR  63 211.085   5.950  -2.293
  542    HA   TYR  63           HA       TYR  63 210.572   6.181   0.412
  543   1HB   TYR  63          HB2       TYR  63 212.972   6.552  -1.308
  544   2HB   TYR  63          HB1       TYR  63 213.068   7.143   0.347
  545    HD1  TYR  63           HD1      TYR  63 213.647   4.423  -1.726
  546    HD2  TYR  63           HD2      TYR  63 212.213   5.381   2.156
  547    HE1  TYR  63           HE1      TYR  63 214.195   2.146  -0.971
  548    HE2  TYR  63           HE2      TYR  63 212.755   3.114   2.927
  549    HH   TYR  63           HH       TYR  63 214.749   1.051   1.321
  550    H    PHE  64           HN       PHE  64 212.220   8.657  -1.466
  551    HA   PHE  64           HA       PHE  64 212.178  10.776   0.185
  552   1HB   PHE  64          HB2       PHE  64 213.247  11.175  -1.827
  553   2HB   PHE  64          HB1       PHE  64 211.918  10.528  -2.779
  554    HD1  PHE  64           HD1      PHE  64 212.905  13.441  -0.698
  555    HD2  PHE  64           HD2      PHE  64 210.391  11.944  -3.790
  556    HE1  PHE  64           HE1      PHE  64 212.136  15.730  -1.174
  557    HE2  PHE  64           HE2      PHE  64 209.617  14.231  -4.271
  558    HZ   PHE  64           HZ       PHE  64 210.490  16.127  -2.963
  559    H    LEU  65           HN       LEU  65 209.389   9.672  -1.710
  560    HA   LEU  65           HA       LEU  65 207.750  11.878  -1.020
  561   1HB   LEU  65          HB2       LEU  65 206.356  10.999  -2.504
  562   2HB   LEU  65          HB1       LEU  65 207.596   9.797  -2.803
  563    HG   LEU  65           HG       LEU  65 206.520   8.434  -0.975
  564   1HD1  LEU  65          HD11      LEU  65 203.923   9.677  -1.447
  565   2HD1  LEU  65          HD12      LEU  65 205.043  10.725  -0.574
  566   3HD1  LEU  65          HD13      LEU  65 204.655   9.125   0.061
  567   1HD2  LEU  65          HD21      LEU  65 206.324   8.049  -3.441
  568   2HD2  LEU  65          HD22      LEU  65 204.813   8.957  -3.401
  569   3HD2  LEU  65          HD23      LEU  65 204.960   7.453  -2.496
  570    H    ILE  66           HN       ILE  66 208.132   8.625   0.314
  571    HA   ILE  66           HA       ILE  66 206.136   8.953   2.317
  572    HB   ILE  66           HB       ILE  66 208.432   7.005   2.100
  573   1HG1  ILE  66          HG12      ILE  66 206.818   6.730   0.320
  574   2HG1  ILE  66          HG11      ILE  66 206.639   5.405   1.466
  575   1HG2  ILE  66          HG21      ILE  66 206.661   5.763   3.714
  576   2HG2  ILE  66          HG22      ILE  66 206.447   7.436   4.230
  577   3HG2  ILE  66          HG23      ILE  66 208.044   6.691   4.296
  578   1HD1  ILE  66          HD11      ILE  66 204.910   7.674   2.052
  579   2HD1  ILE  66          HD12      ILE  66 204.535   5.957   1.930
  580   3HD1  ILE  66          HD13      ILE  66 204.618   6.946   0.473
  581    H    ARG  67           HN       ARG  67 209.622   9.408   2.180
  582    HA   ARG  67           HA       ARG  67 210.345   9.659   4.792
  583   1HB   ARG  67          HB2       ARG  67 211.403  10.448   2.279
  584   2HB   ARG  67          HB1       ARG  67 211.545  11.833   3.353
  585   1HG   ARG  67          HG2       ARG  67 213.235  10.910   4.456
  586   2HG   ARG  67          HG1       ARG  67 212.360   9.391   4.670
  587   1HD   ARG  67          HD2       ARG  67 213.162   8.514   2.671
  588   2HD   ARG  67          HD1       ARG  67 213.608  10.102   2.046
  589    HE   ARG  67           HE       ARG  67 215.216   9.850   4.186
  590   1HH1  ARG  67          HH11      ARG  67 214.549   7.728   1.497
  591   2HH1  ARG  67          HH12      ARG  67 216.118   6.997   1.522
  592   1HH2  ARG  67          HH21      ARG  67 217.280   8.888   4.221
  593   2HH2  ARG  67          HH22      ARG  67 217.669   7.655   3.069
  594    H    LYS  68           HN       LYS  68 208.933  12.284   2.812
  595    HA   LYS  68           HA       LYS  68 208.910  14.191   4.903
  596   1HB   LYS  68          HB2       LYS  68 207.088  14.054   2.500
  597   2HB   LYS  68          HB1       LYS  68 207.415  15.472   3.488
  598   1HG   LYS  68          HG2       LYS  68 209.557  15.726   2.642
  599   2HG   LYS  68          HG1       LYS  68 209.637  14.053   2.082
  600   1HD   LYS  68          HD2       LYS  68 207.458  15.558   0.874
  601   2HD   LYS  68          HD1       LYS  68 209.048  16.248   0.529
  602   1HE   LYS  68          HE2       LYS  68 209.824  14.167  -0.369
  603   2HE   LYS  68          HE1       LYS  68 208.364  13.345   0.171
  604   1HZ   LYS  68          HZ1       LYS  68 208.506  15.449  -1.919
  605   2HZ   LYS  68          HZ2       LYS  68 207.080  14.725  -1.369
  606   3HZ   LYS  68          HZ3       LYS  68 208.239  13.798  -2.179
  607    H    ARG  69           HN       ARG  69 206.461  11.919   3.710
  608    HA   ARG  69           HA       ARG  69 204.303  12.695   5.260
  609   1HB   ARG  69          HB2       ARG  69 205.071   9.847   4.599
  610   2HB   ARG  69          HB1       ARG  69 203.464  10.427   5.009
  611   1HG   ARG  69          HG2       ARG  69 204.600  11.860   2.759
  612   2HG   ARG  69          HG1       ARG  69 204.504  10.121   2.473
  613   1HD   ARG  69          HD2       ARG  69 202.222  10.085   2.603
  614   2HD   ARG  69          HD1       ARG  69 202.148  11.500   3.653
  615    HE   ARG  69           HE       ARG  69 202.135  11.466   0.779
  616   1HH1  ARG  69          HH11      ARG  69 202.850  13.374   3.612
  617   2HH1  ARG  69          HH12      ARG  69 202.662  14.887   2.793
  618   1HH2  ARG  69          HH21      ARG  69 201.886  13.456  -0.300
  619   2HH2  ARG  69          HH22      ARG  69 202.114  14.934   0.572
  620    H    ILE  70           HN       ILE  70 207.257  11.228   6.237
  621    HA   ILE  70           HA       ILE  70 206.182  10.697   8.925
  622    HB   ILE  70           HB       ILE  70 208.766   9.616   8.819
  623   1HG1  ILE  70          HG12      ILE  70 207.268   8.503   6.470
  624   2HG1  ILE  70          HG11      ILE  70 208.358   9.869   6.264
  625   1HG2  ILE  70          HG21      ILE  70 206.323   8.878   9.693
  626   2HG2  ILE  70          HG22      ILE  70 207.722   7.806   9.635
  627   3HG2  ILE  70          HG23      ILE  70 206.532   7.773   8.335
  628   1HD1  ILE  70          HD11      ILE  70 209.135   7.346   5.995
  629   2HD1  ILE  70          HD12      ILE  70 209.428   7.547   7.724
  630   3HD1  ILE  70          HD13      ILE  70 210.203   8.629   6.563
  631    H    HIS  71           HN       HIS  71 207.868  12.955   7.227
  632    HA   HIS  71           HA       HIS  71 208.958  14.832   7.858
  633   1HB   HIS  71          HB2       HIS  71 209.036  13.809  10.699
  634   2HB   HIS  71          HB1       HIS  71 209.166  15.475  10.149
  635    HD1  HIS  71           HD1      HIS  71 207.148  15.363  12.151
  636    HD2  HIS  71           HD2      HIS  71 206.251  14.153   8.278
  637    HE1  HIS  71           HE1      HIS  71 204.644  15.497  11.967
  638    HE2  HIS  71           HE2      HIS  71 204.119  14.706   9.633
  639    H    LEU  72           HN       LEU  72 210.312  13.017   6.668
  640    HA   LEU  72           HA       LEU  72 212.905  12.917   8.059
  641   1HB   LEU  72          HB2       LEU  72 211.783  10.912   6.116
  642   2HB   LEU  72          HB1       LEU  72 213.370  10.830   6.860
  643    HG   LEU  72           HG       LEU  72 210.676  10.389   8.114
  644   1HD1  LEU  72          HD11      LEU  72 211.458   8.263   8.608
  645   2HD1  LEU  72          HD12      LEU  72 213.149   8.739   8.446
  646   3HD1  LEU  72          HD13      LEU  72 212.137   8.578   7.012
  647   1HD2  LEU  72          HD21      LEU  72 212.429  10.091  10.182
  648   2HD2  LEU  72          HD22      LEU  72 211.394  11.496   9.926
  649   3HD2  LEU  72          HD23      LEU  72 213.066  11.520   9.370
  650    H    ARG  73           HN       ARG  73 214.005  14.546   7.160
  651    HA   ARG  73           HA       ARG  73 213.644  15.381   4.454
  652   1HB   ARG  73          HB2       ARG  73 215.663  16.846   5.002
  653   2HB   ARG  73          HB1       ARG  73 214.190  17.104   5.923
  654   1HG   ARG  73          HG2       ARG  73 216.450  17.061   7.147
  655   2HG   ARG  73          HG1       ARG  73 215.081  16.209   7.853
  656   1HD   ARG  73          HD2       ARG  73 215.944  14.112   6.860
  657   2HD   ARG  73          HD1       ARG  73 217.340  15.008   6.269
  658    HE   ARG  73           HE       ARG  73 216.933  14.032   8.909
  659   1HH1  ARG  73          HH11      ARG  73 218.380  16.643   7.101
  660   2HH1  ARG  73          HH12      ARG  73 219.553  17.005   8.322
  661   1HH2  ARG  73          HH21      ARG  73 218.477  14.505  10.515
  662   2HH2  ARG  73          HH22      ARG  73 219.609  15.790  10.259
  663    H    ALA  74           HN       ALA  74 214.357  12.752   4.189
  664    HA   ALA  74           HA       ALA  74 215.727  11.472   2.888
  665   1HB   ALA  74          HB1       ALA  74 216.019  13.781   1.719
  666   2HB   ALA  74          HB2       ALA  74 217.125  12.458   1.348
  667   3HB   ALA  74          HB3       ALA  74 217.620  13.736   2.458
  668    H    GLU  75           HN       GLU  75 217.726  13.753   4.839
  669    HA   GLU  75           HA       GLU  75 219.856  11.958   5.187
  670   1HB   GLU  75          HB2       GLU  75 218.947  14.393   6.650
  671   2HB   GLU  75          HB1       GLU  75 220.225  13.404   7.330
  672   1HG   GLU  75          HG2       GLU  75 220.592  14.057   4.508
  673   2HG   GLU  75          HG1       GLU  75 220.581  15.454   5.583
  674    H    ASP  76           HN       ASP  76 216.780  12.214   6.755
  675    HA   ASP  76           HA       ASP  76 217.415  10.701   9.080
  676   1HB   ASP  76          HB2       ASP  76 214.934  11.657   7.755
  677   2HB   ASP  76          HB1       ASP  76 214.776  10.289   8.853
  678    H    ALA  77           HN       ALA  77 216.738   8.533   9.545
  679    HA   ALA  77           HA       ALA  77 217.320   6.755   7.367
  680   1HB   ALA  77          HB1       ALA  77 217.220   4.986   9.053
  681   2HB   ALA  77          HB2       ALA  77 216.655   6.158  10.244
  682   3HB   ALA  77          HB3       ALA  77 218.270   6.313   9.552
  683    H    LEU  78           HN       LEU  78 216.017   5.359   6.378
  684    HA   LEU  78           HA       LEU  78 213.378   4.720   7.231
  685   1HB   LEU  78          HB2       LEU  78 212.965   6.982   6.395
  686   2HB   LEU  78          HB1       LEU  78 213.677   6.550   4.852
  687    HG   LEU  78           HG       LEU  78 211.850   4.817   4.618
  688   1HD1  LEU  78          HD11      LEU  78 210.944   6.208   7.107
  689   2HD1  LEU  78          HD12      LEU  78 211.021   4.481   6.756
  690   3HD1  LEU  78          HD13      LEU  78 209.780   5.480   6.000
  691   1HD2  LEU  78          HD21      LEU  78 210.820   7.636   4.835
  692   2HD2  LEU  78          HD22      LEU  78 210.294   6.364   3.732
  693   3HD2  LEU  78          HD23      LEU  78 211.887   7.097   3.539
  694    H    PHE  79           HN       PHE  79 213.152   2.684   6.615
  695    HA   PHE  79           HA       PHE  79 214.178   1.885   3.971
  696   1HB   PHE  79          HB2       PHE  79 214.210   0.169   6.464
  697   2HB   PHE  79          HB1       PHE  79 214.812  -0.285   4.875
  698    HD1  PHE  79           HD1      PHE  79 216.998   0.233   4.216
  699    HD2  PHE  79           HD2      PHE  79 215.367   2.008   7.723
  700    HE1  PHE  79           HE1      PHE  79 219.229   1.078   4.822
  701    HE2  PHE  79           HE2      PHE  79 217.594   2.857   8.335
  702    HZ   PHE  79           HZ       PHE  79 219.528   2.394   6.883
  703    H    PHE  80           HN       PHE  80 212.739   0.871   2.702
  704    HA   PHE  80           HA       PHE  80 210.064   0.495   3.702
  705   1HB   PHE  80          HB2       PHE  80 211.317   0.240   0.978
  706   2HB   PHE  80          HB1       PHE  80 209.662  -0.275   1.279
  707    HD1  PHE  80           HD1      PHE  80 209.088   1.996   3.324
  708    HD2  PHE  80           HD2      PHE  80 210.746   1.933  -0.597
  709    HE1  PHE  80           HE1      PHE  80 208.316   4.302   2.966
  710    HE2  PHE  80           HE2      PHE  80 209.974   4.238  -0.961
  711    HZ   PHE  80           HZ       PHE  80 208.757   5.425   0.821
  712    H    PHE  81           HN       PHE  81 208.931  -1.427   3.832
  713    HA   PHE  81           HA       PHE  81 210.456  -3.893   3.428
  714   1HB   PHE  81          HB2       PHE  81 208.914  -3.178   5.928
  715   2HB   PHE  81          HB1       PHE  81 209.573  -4.775   5.581
  716    HD1  PHE  81           HD1      PHE  81 210.325  -1.367   6.596
  717    HD2  PHE  81           HD2      PHE  81 211.982  -5.153   5.586
  718    HE1  PHE  81           HE1      PHE  81 212.485  -0.678   7.564
  719    HE2  PHE  81           HE2      PHE  81 214.140  -4.476   6.557
  720    HZ   PHE  81           HZ       PHE  81 214.399  -2.233   7.540
  721    H    VAL  82           HN       VAL  82 209.287  -4.499   1.657
  722    HA   VAL  82           HA       VAL  82 206.380  -4.623   1.832
  723    HB   VAL  82           HB       VAL  82 207.931  -5.585  -0.515
  724   1HG1  VAL  82          HG11      VAL  82 205.166  -4.763   0.074
  725   2HG1  VAL  82          HG12      VAL  82 205.771  -6.013  -1.013
  726   3HG1  VAL  82          HG13      VAL  82 205.796  -4.323  -1.514
  727   1HG2  VAL  82          HG21      VAL  82 207.177  -2.704  -0.110
  728   2HG2  VAL  82          HG22      VAL  82 208.060  -3.401  -1.467
  729   3HG2  VAL  82          HG23      VAL  82 208.806  -3.335   0.128
  730    H    ASN  83           HN       ASN  83 205.588  -6.342   2.856
  731    HA   ASN  83           HA       ASN  83 205.164  -8.512   3.409
  732   1HB   ASN  83          HB2       ASN  83 206.986  -9.314   1.131
  733   2HB   ASN  83          HB1       ASN  83 205.699 -10.268   1.865
  734   1HD2  ASN  83          HD21      ASN  83 205.460 -10.218  -0.677
  735   2HD2  ASN  83          HD22      ASN  83 204.285  -9.086  -1.242
  736    H    ASN  84           HN       ASN  84 207.419  -6.965   4.423
  737    HA   ASN  84           HA       ASN  84 208.957  -7.295   6.071
  738   1HB   ASN  84          HB2       ASN  84 207.678  -9.656   6.181
  739   2HB   ASN  84          HB1       ASN  84 209.251 -10.215   5.620
  740   1HD2  ASN  84          HD21      ASN  84 207.417  -9.165   8.265
  741   2HD2  ASN  84          HD22      ASN  84 208.680  -9.151   9.444
  742    H    VAL  85           HN       VAL  85 209.488  -7.021   3.117
  743    HA   VAL  85           HA       VAL  85 212.315  -7.821   3.229
  744    HB   VAL  85           HB       VAL  85 210.751  -7.854   0.677
  745   1HG1  VAL  85          HG11      VAL  85 213.491  -8.558   1.526
  746   2HG1  VAL  85          HG12      VAL  85 212.915  -7.872   0.007
  747   3HG1  VAL  85          HG13      VAL  85 212.741  -9.600   0.317
  748   1HG2  VAL  85          HG21      VAL  85 211.345 -10.273   2.370
  749   2HG2  VAL  85          HG22      VAL  85 210.446 -10.223   0.853
  750   3HG2  VAL  85          HG23      VAL  85 209.773  -9.475   2.302
  751    H    ILE  86           HN       ILE  86 213.759  -6.425   2.224
  752    HA   ILE  86           HA       ILE  86 212.780  -3.710   1.875
  753    HB   ILE  86           HB       ILE  86 215.609  -4.752   1.914
  754   1HG1  ILE  86          HG12      ILE  86 213.712  -3.834   4.021
  755   2HG1  ILE  86          HG11      ILE  86 214.929  -5.103   4.083
  756   1HG2  ILE  86          HG21      ILE  86 214.933  -1.908   2.453
  757   2HG2  ILE  86          HG22      ILE  86 214.907  -2.454   0.777
  758   3HG2  ILE  86          HG23      ILE  86 216.381  -2.609   1.731
  759   1HD1  ILE  86          HD11      ILE  86 215.454  -2.146   4.178
  760   2HD1  ILE  86          HD12      ILE  86 216.676  -3.416   4.249
  761   3HD1  ILE  86          HD13      ILE  86 215.493  -3.256   5.546
  762    HA   PRO  87           HA       PRO  87 212.818  -4.524  -2.576
  763   1HB   PRO  87          HB2       PRO  87 211.682  -2.158  -3.288
  764   2HB   PRO  87          HB1       PRO  87 210.747  -3.533  -2.691
  765   1HG   PRO  87          HG2       PRO  87 211.688  -1.101  -1.221
  766   2HG   PRO  87          HG1       PRO  87 210.110  -1.908  -1.154
  767   1HD   PRO  87          HD2       PRO  87 211.999  -2.267   0.745
  768   2HD   PRO  87          HD1       PRO  87 210.870  -3.553   0.273
  769    HA   PRO  88           HA       PRO  88 216.528  -2.352  -3.649
  770   1HB   PRO  88          HB2       PRO  88 215.868  -2.757  -6.471
  771   2HB   PRO  88          HB1       PRO  88 217.165  -3.477  -5.515
  772   1HG   PRO  88          HG2       PRO  88 215.052  -4.912  -6.390
  773   2HG   PRO  88          HG1       PRO  88 215.867  -5.261  -4.855
  774   1HD   PRO  88          HD2       PRO  88 213.311  -3.777  -5.347
  775   2HD   PRO  88          HD1       PRO  88 213.693  -4.985  -4.102
  776    H    THR  89           HN       THR  89 217.006  -0.259  -3.921
  777    HA   THR  89           HA       THR  89 215.068   1.687  -4.416
  778    HB   THR  89           HB       THR  89 217.156   3.172  -4.840
  779    HG1  THR  89           HG1      THR  89 218.460   1.229  -5.284
  780   1HG2  THR  89          HG21      THR  89 217.234   1.766  -2.205
  781   2HG2  THR  89          HG22      THR  89 215.892   2.826  -2.637
  782   3HG2  THR  89          HG23      THR  89 217.536   3.464  -2.575
  783    H    SER  90           HN       SER  90 216.926  -0.209  -6.606
  784    HA   SER  90           HA       SER  90 216.658   1.589  -8.841
  785   1HB   SER  90          HB2       SER  90 218.578   0.034  -8.642
  786   2HB   SER  90          HB1       SER  90 217.469  -1.328  -8.804
  787    HG   SER  90           HG       SER  90 218.631  -0.377 -10.761
  788    H    ALA  91           HN       ALA  91 215.013  -1.283  -7.628
  789    HA   ALA  91           HA       ALA  91 213.439  -1.869  -9.857
  790   1HB   ALA  91          HB1       ALA  91 211.939  -3.020  -8.312
  791   2HB   ALA  91          HB2       ALA  91 212.723  -2.222  -6.947
  792   3HB   ALA  91          HB3       ALA  91 213.628  -3.367  -7.938
  793    H    THR  92           HN       THR  92 211.259  -1.386 -10.349
  794    HA   THR  92           HA       THR  92 210.472   1.308  -9.504
  795    HB   THR  92           HB       THR  92 209.029   1.305 -11.496
  796    HG1  THR  92           HG1      THR  92 208.812  -0.429 -12.744
  797   1HG2  THR  92          HG21      THR  92 211.091   2.176 -12.071
  798   2HG2  THR  92          HG22      THR  92 210.850   0.898 -13.262
  799   3HG2  THR  92          HG23      THR  92 211.912   0.627 -11.880
  800    H    MET  93           HN       MET  93 208.385   1.761  -8.766
  801    HA   MET  93           HA       MET  93 207.218  -0.011  -7.015
  802   1HB   MET  93          HB2       MET  93 205.930   2.278  -8.509
  803   2HB   MET  93          HB1       MET  93 205.176   1.438  -7.160
  804   1HG   MET  93          HG2       MET  93 207.865   2.396  -6.586
  805   2HG   MET  93          HG1       MET  93 206.724   3.672  -6.999
  806   1HE   MET  93          HE1       MET  93 205.898   0.609  -3.690
  807   2HE   MET  93          HE2       MET  93 206.622   0.291  -5.265
  808   3HE   MET  93          HE3       MET  93 204.887   0.585  -5.135
  809    H    GLY  94           HN       GLY  94 206.538   0.455 -10.439
  810   1HA   GLY  94          HA2       GLY  94 204.220  -1.130 -10.606
  811   2HA   GLY  94          HA1       GLY  94 205.331  -0.809 -11.931
  812    H    GLN  95           HN       GLN  95 207.648  -1.969 -10.833
  813    HA   GLN  95           HA       GLN  95 207.280  -4.663 -11.560
  814   1HB   GLN  95          HB2       GLN  95 209.550  -3.280 -10.119
  815   2HB   GLN  95          HB1       GLN  95 209.607  -4.961 -10.632
  816   1HG   GLN  95          HG2       GLN  95 208.825  -3.211 -12.797
  817   2HG   GLN  95          HG1       GLN  95 210.375  -2.744 -12.100
  818   1HE2  GLN  95          HE21      GLN  95 212.082  -3.699 -12.930
  819   2HE2  GLN  95          HE22      GLN  95 212.108  -5.229 -13.733
  820    H    LEU  96           HN       LEU  96 207.525  -3.034  -8.441
  821    HA   LEU  96           HA       LEU  96 207.501  -5.373  -6.854
  822   1HB   LEU  96          HB2       LEU  96 206.471  -2.624  -6.140
  823   2HB   LEU  96          HB1       LEU  96 206.852  -3.907  -5.008
  824    HG   LEU  96           HG       LEU  96 208.777  -2.319  -6.695
  825   1HD1  LEU  96          HD11      LEU  96 207.975  -1.294  -4.601
  826   2HD1  LEU  96          HD12      LEU  96 209.700  -1.656  -4.563
  827   3HD1  LEU  96          HD13      LEU  96 208.560  -2.700  -3.712
  828   1HD2  LEU  96          HD21      LEU  96 209.528  -4.573  -4.851
  829   2HD2  LEU  96          HD22      LEU  96 210.551  -3.707  -6.000
  830   3HD2  LEU  96          HD23      LEU  96 209.301  -4.805  -6.585
  831    H    TYR  97           HN       TYR  97 204.934  -3.155  -7.891
  832    HA   TYR  97           HA       TYR  97 202.792  -4.457  -6.670
  833   1HB   TYR  97          HB2       TYR  97 202.511  -2.251  -7.622
  834   2HB   TYR  97          HB1       TYR  97 202.844  -2.874  -9.238
  835    HD1  TYR  97           HD1      TYR  97 200.331  -2.305  -6.736
  836    HD2  TYR  97           HD2      TYR  97 201.228  -4.538 -10.249
  837    HE1  TYR  97           HE1      TYR  97 197.934  -2.765  -7.051
  838    HE2  TYR  97           HE2      TYR  97 198.833  -4.997 -10.575
  839    HH   TYR  97           HH       TYR  97 196.380  -3.420  -8.702
  840    H    GLN  98           HN       GLN  98 204.482  -5.143  -9.657
  841    HA   GLN  98           HA       GLN  98 202.532  -7.037 -10.563
  842   1HB   GLN  98          HB2       GLN  98 205.378  -6.552 -11.437
  843   2HB   GLN  98          HB1       GLN  98 204.249  -7.631 -12.244
  844   1HG   GLN  98          HG2       GLN  98 202.944  -5.156 -12.012
  845   2HG   GLN  98          HG1       GLN  98 204.589  -4.811 -12.546
  846   1HE2  GLN  98          HE21      GLN  98 205.094  -5.119 -14.614
  847   2HE2  GLN  98          HE22      GLN  98 204.076  -5.875 -15.787
  848    H    GLU  99           HN       GLU  99 205.309  -7.124  -8.483
  849    HA   GLU  99           HA       GLU  99 205.097 -10.061  -8.355
  850   1HB   GLU  99          HB2       GLU  99 207.494  -8.265  -8.165
  851   2HB   GLU  99          HB1       GLU  99 207.525  -9.924  -7.581
  852   1HG   GLU  99          HG2       GLU  99 206.524 -10.274 -10.068
  853   2HG   GLU  99          HG1       GLU  99 207.571  -8.878 -10.317
  854    H    HIS 100           HN       HIS 100 203.796  -7.849  -6.669
  855    HA   HIS 100           HA       HIS 100 204.457  -9.103  -4.133
  856   1HB   HIS 100          HB2       HIS 100 204.654  -6.133  -4.570
  857   2HB   HIS 100          HB1       HIS 100 204.558  -6.876  -2.978
  858    HD1  HIS 100           HD1      HIS 100 206.721  -7.491  -1.941
  859    HD2  HIS 100           HD2      HIS 100 207.046  -7.070  -6.064
  860    HE1  HIS 100           HE1      HIS 100 209.169  -7.754  -2.454
  861    HE2  HIS 100           HE2      HIS 100 209.328  -7.586  -4.962
  862    H    HIS 101           HN       HIS 101 202.308  -7.122  -6.000
  863    HA   HIS 101           HA       HIS 101 200.323  -6.518  -4.209
  864   1HB   HIS 101          HB2       HIS 101 198.800  -6.381  -6.037
  865   2HB   HIS 101          HB1       HIS 101 200.379  -5.913  -6.659
  866    HD1  HIS 101           HD1      HIS 101 201.685  -8.267  -7.680
  867    HD2  HIS 101           HD2      HIS 101 197.537  -8.018  -7.756
  868    HE1  HIS 101           HE1      HIS 101 200.944  -9.923  -9.420
  869    HE2  HIS 101           HE2      HIS 101 198.435  -9.699  -9.504
  870    H    GLU 102           HN       GLU 102 199.418  -7.765  -2.742
  871    HA   GLU 102           HA       GLU 102 199.357 -10.589  -2.901
  872   1HB   GLU 102          HB2       GLU 102 198.079  -8.619  -1.013
  873   2HB   GLU 102          HB1       GLU 102 197.931 -10.361  -0.815
  874   1HG   GLU 102          HG2       GLU 102 200.639  -9.146  -1.095
  875   2HG   GLU 102          HG1       GLU 102 199.785  -9.029   0.445
  876    H    GLU 103           HN       GLU 103 198.232 -10.345  -5.128
  877    HA   GLU 103           HA       GLU 103 196.382 -10.503  -6.471
  878   1HB   GLU 103          HB2       GLU 103 196.700 -12.745  -5.419
  879   2HB   GLU 103          HB1       GLU 103 195.481 -12.309  -4.228
  880   1HG   GLU 103          HG2       GLU 103 193.761 -12.431  -5.735
  881   2HG   GLU 103          HG1       GLU 103 194.806 -12.110  -7.119
  882    H    ASP 104           HN       ASP 104 196.158  -8.300  -4.514
  883    HA   ASP 104           HA       ASP 104 193.214  -8.181  -4.350
  884   1HB   ASP 104          HB2       ASP 104 193.747  -6.396  -2.527
  885   2HB   ASP 104          HB1       ASP 104 193.854  -8.103  -2.111
  886    H    PHE 105           HN       PHE 105 195.282  -7.344  -6.443
  887    HA   PHE 105           HA       PHE 105 195.628  -5.636  -7.901
  888   1HB   PHE 105          HB2       PHE 105 192.941  -4.741  -6.839
  889   2HB   PHE 105          HB1       PHE 105 193.715  -4.109  -8.287
  890    HD1  PHE 105           HD1      PHE 105 192.651  -7.353  -6.793
  891    HD2  PHE 105           HD2      PHE 105 193.168  -5.029 -10.321
  892    HE1  PHE 105           HE1      PHE 105 191.627  -9.150  -8.123
  893    HE2  PHE 105           HE2      PHE 105 192.144  -6.822 -11.656
  894    HZ   PHE 105           HZ       PHE 105 191.371  -8.886 -10.558
  895    H    PHE 106           HN       PHE 106 196.260  -5.355  -4.903
  896    HA   PHE 106           HA       PHE 106 196.754  -2.458  -4.922
  897   1HB   PHE 106          HB2       PHE 106 195.623  -4.221  -2.851
  898   2HB   PHE 106          HB1       PHE 106 196.885  -3.137  -2.274
  899    HD1  PHE 106           HD1      PHE 106 194.537  -2.354  -5.005
  900    HD2  PHE 106           HD2      PHE 106 195.531  -1.752  -0.912
  901    HE1  PHE 106           HE1      PHE 106 192.899  -0.514  -4.878
  902    HE2  PHE 106           HE2      PHE 106 193.897   0.083  -0.779
  903    HZ   PHE 106           HZ       PHE 106 192.578   0.701  -2.762
  904    H    LEU 107           HN       LEU 107 198.486  -2.238  -2.861
  905    HA   LEU 107           HA       LEU 107 200.583  -4.189  -2.995
  906   1HB   LEU 107          HB2       LEU 107 200.868  -2.969  -5.112
  907   2HB   LEU 107          HB1       LEU 107 201.038  -1.468  -4.220
  908    HG   LEU 107           HG       LEU 107 203.217  -2.130  -4.896
  909   1HD1  LEU 107          HD11      LEU 107 204.415  -2.420  -2.847
  910   2HD1  LEU 107          HD12      LEU 107 202.968  -2.990  -2.025
  911   3HD1  LEU 107          HD13      LEU 107 203.065  -1.321  -2.585
  912   1HD2  LEU 107          HD21      LEU 107 203.372  -4.697  -3.507
  913   2HD2  LEU 107          HD22      LEU 107 203.921  -4.242  -5.120
  914   3HD2  LEU 107          HD23      LEU 107 202.237  -4.695  -4.856
  915    H    TYR 108           HN       TYR 108 200.245  -4.165  -0.750
  916    HA   TYR 108           HA       TYR 108 200.623  -1.694   0.704
  917   1HB   TYR 108          HB2       TYR 108 199.773  -2.770   2.561
  918   2HB   TYR 108          HB1       TYR 108 198.974  -3.623   1.248
  919    HD1  TYR 108           HD1      TYR 108 200.921  -5.575   0.370
  920    HD2  TYR 108           HD2      TYR 108 200.042  -4.159   4.257
  921    HE1  TYR 108           HE1      TYR 108 201.732  -7.706   1.301
  922    HE2  TYR 108           HE2      TYR 108 200.858  -6.283   5.234
  923    HH   TYR 108           HH       TYR 108 202.737  -8.413   3.663
  924    H    ILE 109           HN       ILE 109 202.331  -0.986   1.654
  925    HA   ILE 109           HA       ILE 109 204.736  -2.686   1.832
  926    HB   ILE 109           HB       ILE 109 204.520   0.203   0.997
  927   1HG1  ILE 109          HG12      ILE 109 204.871  -2.370  -0.485
  928   2HG1  ILE 109          HG11      ILE 109 203.800  -1.021  -0.827
  929   1HG2  ILE 109          HG21      ILE 109 206.575   0.014   2.142
  930   2HG2  ILE 109          HG22      ILE 109 206.979  -0.112   0.432
  931   3HG2  ILE 109          HG23      ILE 109 206.918  -1.563   1.432
  932   1HD1  ILE 109          HD11      ILE 109 206.647  -1.411  -1.531
  933   2HD1  ILE 109          HD12      ILE 109 206.072   0.231  -1.248
  934   3HD1  ILE 109          HD13      ILE 109 205.318  -0.766  -2.494
  935    H    ALA 110           HN       ALA 110 206.415  -1.666   3.318
  936    HA   ALA 110           HA       ALA 110 205.226  -0.122   5.519
  937   1HB   ALA 110          HB1       ALA 110 205.179  -2.303   6.404
  938   2HB   ALA 110          HB2       ALA 110 206.624  -1.553   7.083
  939   3HB   ALA 110          HB3       ALA 110 206.768  -2.689   5.743
  940    H    TYR 111           HN       TYR 111 206.851   0.888   6.902
  941    HA   TYR 111           HA       TYR 111 209.500   1.196   5.711
  942   1HB   TYR 111          HB2       TYR 111 209.386   3.592   5.596
  943   2HB   TYR 111          HB1       TYR 111 208.009   2.945   4.708
  944    HD1  TYR 111           HD1      TYR 111 205.791   3.437   5.377
  945    HD2  TYR 111           HD2      TYR 111 209.041   4.553   7.848
  946    HE1  TYR 111           HE1      TYR 111 204.259   4.779   6.748
  947    HE2  TYR 111           HE2      TYR 111 207.537   5.900   9.251
  948    HH   TYR 111           HH       TYR 111 205.436   6.637   9.541
  949    H    SER 112           HN       SER 112 211.026   1.235   7.231
  950    HA   SER 112           HA       SER 112 210.291   2.022   9.983
  951   1HB   SER 112          HB2       SER 112 210.678  -0.548   9.349
  952   2HB   SER 112          HB1       SER 112 212.361  -0.082   9.594
  953    HG   SER 112           HG       SER 112 212.003   0.169  11.670
  954    H    ASP 113           HN       ASP 113 212.303   2.410  11.330
  955    HA   ASP 113           HA       ASP 113 214.077   4.137   9.790
  956   1HB   ASP 113          HB2       ASP 113 212.927   4.973  11.852
  957   2HB   ASP 113          HB1       ASP 113 213.877   3.824  12.793
  958    H    GLU 114           HN       GLU 114 214.181   1.076  10.034
  959    HA   GLU 114           HA       GLU 114 217.077   0.928  10.438
  960   1HB   GLU 114          HB2       GLU 114 215.002  -0.782  11.791
  961   2HB   GLU 114          HB1       GLU 114 216.635  -1.373  11.520
  962   1HG   GLU 114          HG2       GLU 114 216.567   1.266  12.743
  963   2HG   GLU 114          HG1       GLU 114 215.766   0.027  13.710
  964    H    SER 115           HN       SER 115 217.854  -1.336   9.660
  965    HA   SER 115           HA       SER 115 216.784  -1.665   6.990
  966   1HB   SER 115          HB2       SER 115 218.715  -3.210   6.665
  967   2HB   SER 115          HB1       SER 115 219.193  -1.604   7.221
  968    HG   SER 115           HG       SER 115 219.580  -4.004   8.396
  969    H    VAL 116           HN       VAL 116 215.732  -2.853   9.781
  970    HA   VAL 116           HA       VAL 116 215.004  -5.450   8.600
  971    HB   VAL 116           HB       VAL 116 214.507  -5.453  11.422
  972   1HG1  VAL 116          HG11      VAL 116 214.744  -7.512  10.402
  973   2HG1  VAL 116          HG12      VAL 116 216.288  -7.333  11.235
  974   3HG1  VAL 116          HG13      VAL 116 216.180  -7.021   9.503
  975   1HG2  VAL 116          HG21      VAL 116 217.389  -4.863  10.736
  976   2HG2  VAL 116          HG22      VAL 116 216.744  -5.258  12.330
  977   3HG2  VAL 116          HG23      VAL 116 216.289  -3.746  11.544
  978    H    TYR 117           HN       TYR 117 212.821  -5.935   8.550
  979    HA   TYR 117           HA       TYR 117 210.952  -3.950   8.418
  980   1HB   TYR 117          HB2       TYR 117 210.287  -6.091   7.624
  981   2HB   TYR 117          HB1       TYR 117 210.562  -6.839   9.200
  982    HD1  TYR 117           HD1      TYR 117 208.626  -3.945   7.859
  983    HD2  TYR 117           HD2      TYR 117 208.632  -7.378  10.363
  984    HE1  TYR 117           HE1      TYR 117 206.308  -3.472   8.497
  985    HE2  TYR 117           HE2      TYR 117 206.311  -6.917  11.013
  986    HH   TYR 117           HH       TYR 117 204.735  -3.959  10.233
  987    H    GLY 118           HN       GLY 118 210.957  -2.416   9.966
  988   1HA   GLY 118          HA2       GLY 118 211.247  -1.824  12.329
  989   2HA   GLY 118          HA1       GLY 118 209.546  -1.832  11.911
  990    H    LEU 119           HN       LEU 119 212.122  -3.708  13.403
  991    HA   LEU 119           HA       LEU 119 210.125  -4.908  15.131
  992   1HB   LEU 119          HB2       LEU 119 211.591  -6.297  13.091
  993   2HB   LEU 119          HB1       LEU 119 212.024  -6.927  14.676
  994    HG   LEU 119           HG       LEU 119 209.377  -6.812  14.977
  995   1HD1  LEU 119          HD11      LEU 119 208.859  -5.990  12.805
  996   2HD1  LEU 119          HD12      LEU 119 208.333  -7.673  12.885
  997   3HD1  LEU 119          HD13      LEU 119 209.823  -7.251  12.037
  998   1HD2  LEU 119          HD21      LEU 119 210.505  -9.158  13.502
  999   2HD2  LEU 119          HD22      LEU 119 209.385  -9.127  14.864
 1000   3HD2  LEU 119          HD23      LEU 119 211.091  -8.754  15.116
  Start of MODEL   12
    1   1H    GLY   1          HT1       GLY   1 208.488 -13.488   6.524
    2   2H    GLY   1          HT2       GLY   1 207.772 -12.679   5.223
    3   3H    GLY   1          HT3       GLY   1 208.307 -14.273   5.036
    4   1HA   GLY   1          HA1       GLY   1 205.772 -13.617   5.527
    5   2HA   GLY   1          HA2       GLY   1 206.486 -15.165   5.952
    6    H    SER   2           HN       SER   2 206.423 -11.859   7.284
    7    HA   SER   2           HA       SER   2 205.143 -12.712   9.693
    8   1HB   SER   2          HB2       SER   2 207.218 -11.791  11.059
    9   2HB   SER   2          HB1       SER   2 207.139 -13.481  10.565
   10    HG   SER   2           HG       SER   2 209.108 -12.818   9.912
   11    H    MET   3           HN       MET   3 204.387 -10.839   7.881
   12    HA   MET   3           HA       MET   3 205.166  -8.241   8.967
   13   1HB   MET   3          HB2       MET   3 203.821  -9.143   6.452
   14   2HB   MET   3          HB1       MET   3 203.565  -7.498   7.014
   15   1HG   MET   3          HG2       MET   3 206.190  -7.489   7.156
   16   2HG   MET   3          HG1       MET   3 206.030  -8.791   5.976
   17   1HE   MET   3          HE1       MET   3 206.728  -5.067   6.111
   18   2HE   MET   3          HE2       MET   3 205.160  -5.183   6.912
   19   3HE   MET   3          HE3       MET   3 205.297  -4.338   5.374
   20    H    LYS   4           HN       LYS   4 203.704  -6.790   9.852
   21    HA   LYS   4           HA       LYS   4 201.031  -7.863  10.475
   22   1HB   LYS   4          HB2       LYS   4 203.068  -6.603  12.266
   23   2HB   LYS   4          HB1       LYS   4 201.361  -6.367  12.617
   24   1HG   LYS   4          HG2       LYS   4 201.598  -8.245  13.812
   25   2HG   LYS   4          HG1       LYS   4 201.428  -9.043  12.248
   26   1HD   LYS   4          HD2       LYS   4 203.700  -9.455  12.066
   27   2HD   LYS   4          HD1       LYS   4 204.125  -8.163  13.190
   28   1HE   LYS   4          HE2       LYS   4 202.669 -10.671  14.001
   29   2HE   LYS   4          HE1       LYS   4 204.422 -10.496  14.072
   30   1HZ   LYS   4          HZ1       LYS   4 202.794  -9.907  16.094
   31   2HZ   LYS   4          HZ2       LYS   4 202.897  -8.388  15.356
   32   3HZ   LYS   4          HZ3       LYS   4 204.303  -9.174  15.869
   33    H    PHE   5           HN       PHE   5 199.437  -6.622   9.733
   34    HA   PHE   5           HA       PHE   5 199.926  -3.731   9.449
   35   1HB   PHE   5          HB2       PHE   5 198.666  -5.647   7.505
   36   2HB   PHE   5          HB1       PHE   5 198.291  -3.928   7.456
   37    HD1  PHE   5           HD1      PHE   5 199.465  -2.711   5.921
   38    HD2  PHE   5           HD2      PHE   5 201.331  -6.064   7.753
   39    HE1  PHE   5           HE1      PHE   5 201.496  -2.307   4.588
   40    HE2  PHE   5           HE2      PHE   5 203.354  -5.666   6.428
   41    HZ   PHE   5           HZ       PHE   5 203.445  -3.788   4.841
   42    H    VAL   6           HN       VAL   6 197.609  -2.712   8.839
   43    HA   VAL   6           HA       VAL   6 195.534  -3.843  10.546
   44    HB   VAL   6           HB       VAL   6 195.280  -1.197  11.208
   45   1HG1  VAL   6          HG11      VAL   6 195.071  -3.191  12.666
   46   2HG1  VAL   6          HG12      VAL   6 195.930  -1.852  13.427
   47   3HG1  VAL   6          HG13      VAL   6 196.829  -3.234  12.800
   48   1HG2  VAL   6          HG21      VAL   6 197.719  -1.105  10.167
   49   2HG2  VAL   6          HG22      VAL   6 198.153  -1.633  11.792
   50   3HG2  VAL   6          HG23      VAL   6 197.256  -0.131  11.562
   51    H    TYR   7           HN       TYR   7 196.135  -0.749   8.816
   52    HA   TYR   7           HA       TYR   7 193.493  -0.474   7.934
   53   1HB   TYR   7          HB2       TYR   7 195.202   1.351   7.859
   54   2HB   TYR   7          HB1       TYR   7 195.950   0.539   6.486
   55    HD1  TYR   7           HD1      TYR   7 195.236   1.016   4.316
   56    HD2  TYR   7           HD2      TYR   7 192.715   2.004   7.601
   57    HE1  TYR   7           HE1      TYR   7 193.702   2.174   2.784
   58    HE2  TYR   7           HE2      TYR   7 191.176   3.164   6.078
   59    HH   TYR   7           HH       TYR   7 191.554   4.339   3.619
   60    H    LYS   8           HN       LYS   8 196.327  -1.822   6.267
   61    HA   LYS   8           HA       LYS   8 194.784  -2.704   4.015
   62   1HB   LYS   8          HB2       LYS   8 197.375  -2.140   4.240
   63   2HB   LYS   8          HB1       LYS   8 197.476  -3.855   4.611
   64   1HG   LYS   8          HG2       LYS   8 195.897  -3.146   2.227
   65   2HG   LYS   8          HG1       LYS   8 197.636  -2.864   2.131
   66   1HD   LYS   8          HD2       LYS   8 198.056  -5.184   2.763
   67   2HD   LYS   8          HD1       LYS   8 196.321  -5.470   2.896
   68   1HE   LYS   8          HE2       LYS   8 196.752  -4.356   0.348
   69   2HE   LYS   8          HE1       LYS   8 198.008  -5.571   0.578
   70   1HZ   LYS   8          HZ1       LYS   8 195.081  -5.921   0.575
   71   2HZ   LYS   8          HZ2       LYS   8 196.078  -7.048   1.348
   72   3HZ   LYS   8          HZ3       LYS   8 196.253  -6.762  -0.310
   73    H    GLU   9           HN       GLU   9 195.415  -3.907   7.140
   74    HA   GLU   9           HA       GLU   9 194.890  -6.660   6.420
   75   1HB   GLU   9          HB2       GLU   9 196.078  -5.285   8.714
   76   2HB   GLU   9          HB1       GLU   9 195.052  -6.645   9.141
   77   1HG   GLU   9          HG2       GLU   9 197.186  -6.915   7.062
   78   2HG   GLU   9          HG1       GLU   9 197.558  -7.054   8.780
   79    H    GLU  10           HN       GLU  10 193.248  -3.903   7.575
   80    HA   GLU  10           HA       GLU  10 191.061  -5.448   8.729
   81   1HB   GLU  10          HB2       GLU  10 191.627  -2.486   8.589
   82   2HB   GLU  10          HB1       GLU  10 190.135  -3.149   9.239
   83   1HG   GLU  10          HG2       GLU  10 192.585  -4.294  10.371
   84   2HG   GLU  10          HG1       GLU  10 192.340  -2.580  10.699
   85    H    HIS  11           HN       HIS  11 191.458  -2.866   6.297
   86    HA   HIS  11           HA       HIS  11 188.919  -2.803   5.258
   87   1HB   HIS  11          HB2       HIS  11 191.619  -2.278   4.138
   88   2HB   HIS  11          HB1       HIS  11 190.291  -2.419   2.992
   89    HD1  HIS  11           HD1      HIS  11 189.538  -0.153   2.381
   90    HD2  HIS  11           HD2      HIS  11 190.510  -0.416   6.413
   91    HE1  HIS  11           HE1      HIS  11 189.026   2.113   3.345
   92    HE2  HIS  11           HE2      HIS  11 189.562   1.911   5.798
   93    HA   PRO  12           HA       PRO  12 188.342  -7.192   4.171
   94   1HB   PRO  12          HB2       PRO  12 186.199  -5.990   2.553
   95   2HB   PRO  12          HB1       PRO  12 186.111  -7.264   3.768
   96   1HG   PRO  12          HG2       PRO  12 185.384  -4.571   4.109
   97   2HG   PRO  12          HG1       PRO  12 185.553  -5.789   5.379
   98   1HD   PRO  12          HD2       PRO  12 187.166  -3.493   4.951
   99   2HD   PRO  12          HD1       PRO  12 187.420  -4.782   6.138
  100    H    PHE  13           HN       PHE  13 188.047  -8.332   2.055
  101    HA   PHE  13           HA       PHE  13 189.970  -7.435   0.212
  102   1HB   PHE  13          HB2       PHE  13 189.131  -9.853   0.668
  103   2HB   PHE  13          HB1       PHE  13 187.897  -9.471  -0.530
  104    HD1  PHE  13           HD1      PHE  13 190.909 -11.041  -0.149
  105    HD2  PHE  13           HD2      PHE  13 189.025  -8.173  -2.669
  106    HE1  PHE  13           HE1      PHE  13 192.510 -11.567  -1.943
  107    HE2  PHE  13           HE2      PHE  13 190.619  -8.698  -4.464
  108    HZ   PHE  13           HZ       PHE  13 192.368 -10.387  -4.102
  109    H    GLU  14           HN       GLU  14 186.427  -7.576   0.003
  110    HA   GLU  14           HA       GLU  14 186.115  -6.588  -2.563
  111   1HB   GLU  14          HB2       GLU  14 184.453  -7.012  -0.274
  112   2HB   GLU  14          HB1       GLU  14 184.066  -5.440  -0.961
  113   1HG   GLU  14          HG2       GLU  14 183.000  -6.353  -2.678
  114   2HG   GLU  14          HG1       GLU  14 184.327  -7.463  -3.009
  115    H    LYS  15           HN       LYS  15 187.146  -4.960   0.296
  116    HA   LYS  15           HA       LYS  15 186.624  -2.307  -0.711
  117   1HB   LYS  15          HB2       LYS  15 188.364  -3.035   1.638
  118   2HB   LYS  15          HB1       LYS  15 187.526  -1.517   1.341
  119   1HG   LYS  15          HG2       LYS  15 185.813  -3.903   1.521
  120   2HG   LYS  15          HG1       LYS  15 186.637  -3.426   3.005
  121   1HD   LYS  15          HD2       LYS  15 185.775  -1.095   2.593
  122   2HD   LYS  15          HD1       LYS  15 184.765  -1.786   1.318
  123   1HE   LYS  15          HE2       LYS  15 183.944  -3.407   3.125
  124   2HE   LYS  15          HE1       LYS  15 184.675  -2.290   4.275
  125   1HZ   LYS  15          HZ1       LYS  15 182.585  -1.582   2.286
  126   2HZ   LYS  15          HZ2       LYS  15 183.267  -0.531   3.422
  127   3HZ   LYS  15          HZ3       LYS  15 182.319  -1.833   3.938
  128    H    ARG  16           HN       ARG  16 189.647  -3.881   0.368
  129    HA   ARG  16           HA       ARG  16 191.394  -2.106  -0.836
  130   1HB   ARG  16          HB2       ARG  16 193.041  -4.033  -0.821
  131   2HB   ARG  16          HB1       ARG  16 192.304  -3.632   0.723
  132   1HG   ARG  16          HG2       ARG  16 190.688  -5.492   0.349
  133   2HG   ARG  16          HG1       ARG  16 191.614  -5.940  -1.077
  134   1HD   ARG  16          HD2       ARG  16 193.274  -6.852   0.134
  135   2HD   ARG  16          HD1       ARG  16 193.215  -5.578   1.351
  136    HE   ARG  16           HE       ARG  16 190.977  -6.980   1.866
  137   1HH1  ARG  16          HH11      ARG  16 194.301  -7.945   1.420
  138   2HH1  ARG  16          HH12      ARG  16 194.175  -9.314   2.472
  139   1HH2  ARG  16          HH21      ARG  16 190.810  -8.781   3.250
  140   2HH2  ARG  16          HH22      ARG  16 192.194  -9.790   3.510
  141    H    ARG  17           HN       ARG  17 189.559  -4.696  -2.257
  142    HA   ARG  17           HA       ARG  17 191.059  -4.691  -4.726
  143   1HB   ARG  17          HB2       ARG  17 189.877  -6.718  -3.816
  144   2HB   ARG  17          HB1       ARG  17 188.357  -5.929  -4.219
  145   1HG   ARG  17          HG2       ARG  17 189.179  -5.781  -6.588
  146   2HG   ARG  17          HG1       ARG  17 190.523  -6.817  -6.104
  147   1HD   ARG  17          HD2       ARG  17 189.180  -8.646  -5.797
  148   2HD   ARG  17          HD1       ARG  17 187.750  -7.674  -5.459
  149    HE   ARG  17           HE       ARG  17 187.295  -7.603  -7.712
  150   1HH1  ARG  17          HH11      ARG  17 190.516  -8.856  -7.222
  151   2HH1  ARG  17          HH12      ARG  17 190.707  -9.353  -8.869
  152   1HH2  ARG  17          HH21      ARG  17 187.547  -8.254  -9.879
  153   2HH2  ARG  17          HH22      ARG  17 189.023  -9.011 -10.377
  154    H    SER  18           HN       SER  18 187.861  -3.605  -3.633
  155    HA   SER  18           HA       SER  18 186.806  -2.627  -5.952
  156   1HB   SER  18          HB2       SER  18 185.415  -2.538  -4.053
  157   2HB   SER  18          HB1       SER  18 186.608  -1.644  -3.112
  158    HG   SER  18           HG       SER  18 184.688  -0.496  -4.115
  159    H    GLU  19           HN       GLU  19 189.190  -1.110  -3.850
  160    HA   GLU  19           HA       GLU  19 189.290   1.344  -5.320
  161   1HB   GLU  19          HB2       GLU  19 190.594   0.189  -2.968
  162   2HB   GLU  19          HB1       GLU  19 191.658   1.202  -3.932
  163   1HG   GLU  19          HG2       GLU  19 190.671   3.069  -3.257
  164   2HG   GLU  19          HG1       GLU  19 189.055   2.408  -3.500
  165    H    GLY  20           HN       GLY  20 191.257  -1.593  -5.173
  166   1HA   GLY  20          HA2       GLY  20 193.272  -0.702  -6.949
  167   2HA   GLY  20          HA1       GLY  20 192.928  -2.377  -6.540
  168    H    GLU  21           HN       GLU  21 190.573  -2.966  -7.523
  169    HA   GLU  21           HA       GLU  21 190.933  -3.336 -10.220
  170   1HB   GLU  21          HB2       GLU  21 189.372  -4.724  -9.207
  171   2HB   GLU  21          HB1       GLU  21 188.513  -3.386  -8.458
  172   1HG   GLU  21          HG2       GLU  21 187.242  -3.012 -10.268
  173   2HG   GLU  21          HG1       GLU  21 188.536  -3.413 -11.394
  174    H    LYS  22           HN       LYS  22 189.730  -0.528  -8.574
  175    HA   LYS  22           HA       LYS  22 188.705   0.613 -11.053
  176   1HB   LYS  22          HB2       LYS  22 187.234   1.145  -9.350
  177   2HB   LYS  22          HB1       LYS  22 188.510   1.331  -8.157
  178   1HG   LYS  22          HG2       LYS  22 188.399   3.283 -10.392
  179   2HG   LYS  22          HG1       LYS  22 187.179   3.396  -9.122
  180   1HD   LYS  22          HD2       LYS  22 189.519   3.064  -7.706
  181   2HD   LYS  22          HD1       LYS  22 190.015   4.077  -9.063
  182   1HE   LYS  22          HE2       LYS  22 187.676   4.650  -7.248
  183   2HE   LYS  22          HE1       LYS  22 189.275   5.372  -7.082
  184   1HZ   LYS  22          HZ1       LYS  22 187.641   5.607  -9.544
  185   2HZ   LYS  22          HZ2       LYS  22 189.038   6.473  -9.146
  186   3HZ   LYS  22          HZ3       LYS  22 187.601   6.748  -8.296
  187    H    ILE  23           HN       ILE  23 191.108   1.339  -8.552
  188    HA   ILE  23           HA       ILE  23 192.233   3.607  -9.743
  189    HB   ILE  23           HB       ILE  23 193.315   1.542  -7.840
  190   1HG1  ILE  23          HG12      ILE  23 192.877   4.443  -7.257
  191   2HG1  ILE  23          HG11      ILE  23 191.495   3.355  -7.334
  192   1HG2  ILE  23          HG21      ILE  23 195.102   2.739  -9.319
  193   2HG2  ILE  23          HG22      ILE  23 195.337   2.612  -7.579
  194   3HG2  ILE  23          HG23      ILE  23 194.754   4.117  -8.278
  195   1HD1  ILE  23          HD11      ILE  23 193.270   3.811  -5.187
  196   2HD1  ILE  23          HD12      ILE  23 193.478   2.142  -5.718
  197   3HD1  ILE  23          HD13      ILE  23 191.879   2.727  -5.259
  198    H    ARG  24           HN       ARG  24 192.559   0.228 -10.442
  199    HA   ARG  24           HA       ARG  24 194.960   0.490 -12.008
  200   1HB   ARG  24          HB2       ARG  24 192.964  -1.749 -11.649
  201   2HB   ARG  24          HB1       ARG  24 194.388  -1.879 -12.675
  202   1HG   ARG  24          HG2       ARG  24 194.347  -1.427  -9.700
  203   2HG   ARG  24          HG1       ARG  24 194.831  -2.899 -10.544
  204   1HD   ARG  24          HD2       ARG  24 196.219  -0.234 -10.491
  205   2HD   ARG  24          HD1       ARG  24 196.829  -1.789  -9.932
  206    HE   ARG  24           HE       ARG  24 196.953  -0.759 -12.582
  207   1HH1  ARG  24          HH11      ARG  24 196.624  -3.721 -10.766
  208   2HH1  ARG  24          HH12      ARG  24 197.300  -4.709 -12.017
  209   1HH2  ARG  24          HH21      ARG  24 197.843  -2.058 -14.228
  210   2HH2  ARG  24          HH22      ARG  24 197.993  -3.765 -13.981
  211    H    LYS  25           HN       LYS  25 191.499   0.097 -12.610
  212    HA   LYS  25           HA       LYS  25 191.715   0.076 -15.451
  213   1HB   LYS  25          HB2       LYS  25 189.389   0.608 -13.606
  214   2HB   LYS  25          HB1       LYS  25 189.250   0.361 -15.346
  215   1HG   LYS  25          HG2       LYS  25 190.058  -1.891 -15.144
  216   2HG   LYS  25          HG1       LYS  25 190.409  -1.649 -13.430
  217   1HD   LYS  25          HD2       LYS  25 188.329  -2.892 -13.723
  218   2HD   LYS  25          HD1       LYS  25 188.015  -1.313 -13.000
  219   1HE   LYS  25          HE2       LYS  25 186.852  -0.581 -14.786
  220   2HE   LYS  25          HE1       LYS  25 187.918  -1.386 -15.937
  221   1HZ   LYS  25          HZ1       LYS  25 186.662  -3.246 -15.940
  222   2HZ   LYS  25          HZ2       LYS  25 185.436  -2.170 -15.490
  223   3HZ   LYS  25          HZ3       LYS  25 186.215  -3.104 -14.314
  224    H    LYS  26           HN       LYS  26 190.994   2.531 -13.030
  225    HA   LYS  26           HA       LYS  26 190.452   4.574 -14.943
  226   1HB   LYS  26          HB2       LYS  26 189.754   4.277 -12.391
  227   2HB   LYS  26          HB1       LYS  26 191.179   5.279 -12.163
  228   1HG   LYS  26          HG2       LYS  26 190.266   7.036 -13.445
  229   2HG   LYS  26          HG1       LYS  26 188.968   6.005 -14.054
  230   1HD   LYS  26          HD2       LYS  26 187.715   6.269 -12.204
  231   2HD   LYS  26          HD1       LYS  26 189.113   6.229 -11.129
  232   1HE   LYS  26          HE2       LYS  26 188.925   8.432 -10.894
  233   2HE   LYS  26          HE1       LYS  26 189.349   8.604 -12.597
  234   1HZ   LYS  26          HZ1       LYS  26 187.340   9.694 -12.452
  235   2HZ   LYS  26          HZ2       LYS  26 186.683   8.598 -11.345
  236   3HZ   LYS  26          HZ3       LYS  26 186.853   8.158 -12.970
  237    H    TYR  27           HN       TYR  27 193.171   3.599 -12.957
  238    HA   TYR  27           HA       TYR  27 194.857   5.504 -14.448
  239   1HB   TYR  27          HB2       TYR  27 195.737   4.630 -11.747
  240   2HB   TYR  27          HB1       TYR  27 195.990   6.164 -12.567
  241    HD1  TYR  27           HD1      TYR  27 194.847   5.169  -9.684
  242    HD2  TYR  27           HD2      TYR  27 193.225   6.995 -13.164
  243    HE1  TYR  27           HE1      TYR  27 193.060   6.163  -8.317
  244    HE2  TYR  27           HE2      TYR  27 191.434   8.000 -11.811
  245    HH   TYR  27           HH       TYR  27 190.850   7.075  -8.556
  246    HA   PRO  28           HA       PRO  28 196.544   1.372 -15.383
  247   1HB   PRO  28          HB2       PRO  28 197.480   2.595 -17.850
  248   2HB   PRO  28          HB1       PRO  28 196.298   1.305 -17.632
  249   1HG   PRO  28          HG2       PRO  28 195.631   3.791 -18.502
  250   2HG   PRO  28          HG1       PRO  28 194.525   2.762 -17.576
  251   1HD   PRO  28          HD2       PRO  28 196.219   5.048 -16.638
  252   2HD   PRO  28          HD1       PRO  28 194.539   4.644 -16.221
  253    H    ASP  29           HN       ASP  29 198.023   4.519 -15.320
  254    HA   ASP  29           HA       ASP  29 200.705   3.348 -15.404
  255   1HB   ASP  29          HB2       ASP  29 199.780   5.593 -16.583
  256   2HB   ASP  29          HB1       ASP  29 200.391   6.273 -15.078
  257    H    ARG  30           HN       ARG  30 198.417   4.034 -13.104
  258    HA   ARG  30           HA       ARG  30 200.427   4.724 -11.070
  259   1HB   ARG  30          HB2       ARG  30 197.537   5.313 -11.382
  260   2HB   ARG  30          HB1       ARG  30 198.115   5.038  -9.746
  261   1HG   ARG  30          HG2       ARG  30 199.869   6.827 -11.165
  262   2HG   ARG  30          HG1       ARG  30 198.204   7.409 -11.199
  263   1HD   ARG  30          HD2       ARG  30 198.059   7.439  -8.851
  264   2HD   ARG  30          HD1       ARG  30 199.528   6.481  -8.670
  265    HE   ARG  30           HE       ARG  30 200.769   8.398  -8.879
  266   1HH1  ARG  30          HH11      ARG  30 197.493   9.044  -9.894
  267   2HH1  ARG  30          HH12      ARG  30 197.734  10.755 -10.011
  268   1HH2  ARG  30          HH21      ARG  30 201.087  10.647  -9.032
  269   2HH2  ARG  30          HH22      ARG  30 199.775  11.665  -9.522
  270    H    VAL  31           HN       VAL  31 200.212   3.689  -8.956
  271    HA   VAL  31           HA       VAL  31 198.932   1.048  -9.053
  272    HB   VAL  31           HB       VAL  31 200.854   0.004  -7.975
  273   1HG1  VAL  31          HG11      VAL  31 201.209  -0.482 -10.130
  274   2HG1  VAL  31          HG12      VAL  31 202.529   0.682 -10.012
  275   3HG1  VAL  31          HG13      VAL  31 200.964   1.186 -10.649
  276   1HG2  VAL  31          HG21      VAL  31 201.711   2.736  -7.630
  277   2HG2  VAL  31          HG22      VAL  31 202.967   1.780  -8.416
  278   3HG2  VAL  31          HG23      VAL  31 202.309   1.264  -6.862
  279    HA   PRO  32           HA       PRO  32 197.433   2.662  -5.136
  280   1HB   PRO  32          HB2       PRO  32 196.005   0.452  -4.426
  281   2HB   PRO  32          HB1       PRO  32 195.413   1.661  -5.571
  282   1HG   PRO  32          HG2       PRO  32 196.667  -1.002  -6.101
  283   2HG   PRO  32          HG1       PRO  32 195.288  -0.232  -6.907
  284   1HD   PRO  32          HD2       PRO  32 197.774  -0.266  -7.983
  285   2HD   PRO  32          HD1       PRO  32 196.638   1.073  -8.246
  286    H    VAL  33           HN       VAL  33 199.060   2.763  -3.682
  287    HA   VAL  33           HA       VAL  33 200.217   0.242  -2.740
  288    HB   VAL  33           HB       VAL  33 201.327   3.036  -2.536
  289   1HG1  VAL  33          HG11      VAL  33 202.456   2.184  -0.798
  290   2HG1  VAL  33          HG12      VAL  33 203.401   1.343  -2.028
  291   3HG1  VAL  33          HG13      VAL  33 202.062   0.519  -1.228
  292   1HG2  VAL  33          HG21      VAL  33 201.348   2.138  -4.811
  293   2HG2  VAL  33          HG22      VAL  33 202.185   0.689  -4.242
  294   3HG2  VAL  33          HG23      VAL  33 202.981   2.263  -4.158
  295    H    ILE  34           HN       ILE  34 200.332  -0.281  -0.602
  296    HA   ILE  34           HA       ILE  34 198.897   1.471   1.272
  297    HB   ILE  34           HB       ILE  34 199.011  -1.531   1.556
  298   1HG1  ILE  34          HG12      ILE  34 197.873  -1.075  -0.546
  299   2HG1  ILE  34          HG11      ILE  34 196.675  -1.515   0.669
  300   1HG2  ILE  34          HG21      ILE  34 196.871  -0.908   2.876
  301   2HG2  ILE  34          HG22      ILE  34 197.540   0.722   2.860
  302   3HG2  ILE  34          HG23      ILE  34 198.449  -0.595   3.602
  303   1HD1  ILE  34          HD11      ILE  34 195.826   0.620   0.794
  304   2HD1  ILE  34          HD12      ILE  34 196.243   0.491  -0.916
  305   3HD1  ILE  34          HD13      ILE  34 197.310   1.359   0.189
  306    H    VAL  35           HN       VAL  35 201.065   2.360   1.558
  307    HA   VAL  35           HA       VAL  35 203.223   0.923   2.618
  308    HB   VAL  35           HB       VAL  35 202.536   3.826   3.091
  309   1HG1  VAL  35          HG11      VAL  35 204.203   3.327   4.637
  310   2HG1  VAL  35          HG12      VAL  35 205.100   3.945   3.248
  311   3HG1  VAL  35          HG13      VAL  35 205.017   2.207   3.541
  312   1HG2  VAL  35          HG21      VAL  35 202.625   3.438   0.742
  313   2HG2  VAL  35          HG22      VAL  35 204.082   2.454   0.900
  314   3HG2  VAL  35          HG23      VAL  35 204.150   4.190   1.206
  315    H    GLU  36           HN       GLU  36 204.084   0.957   4.808
  316    HA   GLU  36           HA       GLU  36 202.196   1.467   6.968
  317   1HB   GLU  36          HB2       GLU  36 202.538  -1.117   5.865
  318   2HB   GLU  36          HB1       GLU  36 203.341  -1.126   7.427
  319   1HG   GLU  36          HG2       GLU  36 200.963   0.155   7.955
  320   2HG   GLU  36          HG1       GLU  36 200.509  -1.077   6.780
  321    H    LYS  37           HN       LYS  37 203.205   1.285   9.108
  322    HA   LYS  37           HA       LYS  37 206.075   1.874   8.952
  323   1HB   LYS  37          HB2       LYS  37 204.290   3.455  10.034
  324   2HB   LYS  37          HB1       LYS  37 204.397   2.349  11.394
  325   1HG   LYS  37          HG2       LYS  37 207.045   3.000  10.648
  326   2HG   LYS  37          HG1       LYS  37 206.123   4.505  10.695
  327   1HD   LYS  37          HD2       LYS  37 207.025   4.130  12.879
  328   2HD   LYS  37          HD1       LYS  37 205.288   3.832  12.952
  329   1HE   LYS  37          HE2       LYS  37 205.547   1.559  13.178
  330   2HE   LYS  37          HE1       LYS  37 207.127   1.561  12.394
  331   1HZ   LYS  37          HZ1       LYS  37 207.910   2.818  14.435
  332   2HZ   LYS  37          HZ2       LYS  37 207.559   1.176  14.642
  333   3HZ   LYS  37          HZ3       LYS  37 206.456   2.348  15.165
  334    H    ALA  38           HN       ALA  38 206.922  -0.159   8.948
  335    HA   ALA  38           HA       ALA  38 206.339  -2.473  10.114
  336   1HB   ALA  38          HB1       ALA  38 208.628  -3.038  10.140
  337   2HB   ALA  38          HB2       ALA  38 209.115  -1.353  10.350
  338   3HB   ALA  38          HB3       ALA  38 208.410  -1.891   8.818
  339    HA   PRO  39           HA       PRO  39 206.035  -2.289  14.499
  340   1HB   PRO  39          HB2       PRO  39 207.110  -4.739  15.112
  341   2HB   PRO  39          HB1       PRO  39 205.453  -4.500  14.532
  342   1HG   PRO  39          HG2       PRO  39 207.906  -5.266  13.012
  343   2HG   PRO  39          HG1       PRO  39 206.272  -5.940  12.899
  344   1HD   PRO  39          HD2       PRO  39 207.180  -4.213  11.091
  345   2HD   PRO  39          HD1       PRO  39 205.494  -4.145  11.651
  346    H    LYS  40           HN       LYS  40 207.261  -1.668  16.192
  347    HA   LYS  40           HA       LYS  40 209.060  -1.109  17.456
  348   1HB   LYS  40          HB2       LYS  40 210.425  -3.237  15.806
  349   2HB   LYS  40          HB1       LYS  40 211.151  -2.442  17.194
  350   1HG   LYS  40          HG2       LYS  40 210.314  -4.141  18.367
  351   2HG   LYS  40          HG1       LYS  40 208.774  -3.296  18.221
  352   1HD   LYS  40          HD2       LYS  40 208.864  -4.674  15.869
  353   2HD   LYS  40          HD1       LYS  40 209.694  -5.783  16.960
  354   1HE   LYS  40          HE2       LYS  40 207.211  -6.110  16.790
  355   2HE   LYS  40          HE1       LYS  40 207.829  -5.881  18.424
  356   1HZ   LYS  40          HZ1       LYS  40 205.745  -4.569  17.519
  357   2HZ   LYS  40          HZ2       LYS  40 206.943  -3.503  16.984
  358   3HZ   LYS  40          HZ3       LYS  40 206.821  -3.879  18.628
  359    H    ALA  41           HN       ALA  41 208.911  -0.431  14.187
  360    HA   ALA  41           HA       ALA  41 211.366   0.550  13.466
  361   1HB   ALA  41          HB1       ALA  41 208.892   2.100  12.819
  362   2HB   ALA  41          HB2       ALA  41 209.153   0.491  12.131
  363   3HB   ALA  41          HB3       ALA  41 210.309   1.788  11.820
  364    H    ARG  42           HN       ARG  42 212.458   2.429  13.827
  365    HA   ARG  42           HA       ARG  42 211.734   3.887  16.234
  366   1HB   ARG  42          HB2       ARG  42 214.250   4.263  14.617
  367   2HB   ARG  42          HB1       ARG  42 213.981   4.668  16.306
  368   1HG   ARG  42          HG2       ARG  42 214.201   2.487  17.006
  369   2HG   ARG  42          HG1       ARG  42 213.768   1.825  15.428
  370   1HD   ARG  42          HD2       ARG  42 216.116   1.475  15.801
  371   2HD   ARG  42          HD1       ARG  42 215.913   2.683  14.533
  372    HE   ARG  42           HE       ARG  42 216.903   4.238  15.895
  373   1HH1  ARG  42          HH11      ARG  42 216.050   1.436  17.795
  374   2HH1  ARG  42          HH12      ARG  42 216.900   1.977  19.204
  375   1HH2  ARG  42          HH21      ARG  42 218.020   4.951  17.748
  376   2HH2  ARG  42          HH22      ARG  42 218.017   3.974  19.177
  377    H    ILE  43           HN       ILE  43 210.176   4.293  13.975
  378    HA   ILE  43           HA       ILE  43 210.673   7.140  13.415
  379    HB   ILE  43           HB       ILE  43 209.389   6.532  11.229
  380   1HG1  ILE  43          HG12      ILE  43 210.702   3.910  11.944
  381   2HG1  ILE  43          HG11      ILE  43 208.968   4.200  11.861
  382   1HG2  ILE  43          HG21      ILE  43 212.282   6.217  11.858
  383   2HG2  ILE  43          HG22      ILE  43 211.467   7.468  10.919
  384   3HG2  ILE  43          HG23      ILE  43 211.705   5.862  10.230
  385   1HD1  ILE  43          HD11      ILE  43 209.152   3.397   9.803
  386   2HD1  ILE  43          HD12      ILE  43 210.893   3.687   9.739
  387   3HD1  ILE  43          HD13      ILE  43 209.769   5.003   9.405
  388    H    GLY  44           HN       GLY  44 208.646   8.158  12.486
  389   1HA   GLY  44          HA2       GLY  44 206.565   7.904  14.422
  390   2HA   GLY  44          HA1       GLY  44 206.555   8.962  13.018
  391    H    ASP  45           HN       ASP  45 204.476   7.172  14.217
  392    HA   ASP  45           HA       ASP  45 204.064   5.110  12.231
  393   1HB   ASP  45          HB2       ASP  45 202.190   6.070  14.404
  394   2HB   ASP  45          HB1       ASP  45 202.050   4.575  13.484
  395    H    LEU  46           HN       LEU  46 202.872   5.239  10.448
  396    HA   LEU  46           HA       LEU  46 201.735   7.800   9.726
  397   1HB   LEU  46          HB2       LEU  46 202.827   5.533   8.347
  398   2HB   LEU  46          HB1       LEU  46 201.231   5.885   7.712
  399    HG   LEU  46           HG       LEU  46 203.017   8.212   8.036
  400   1HD1  LEU  46          HD11      LEU  46 204.064   7.641   5.785
  401   2HD1  LEU  46          HD12      LEU  46 203.588   5.977   6.115
  402   3HD1  LEU  46          HD13      LEU  46 204.700   6.809   7.204
  403   1HD2  LEU  46          HD21      LEU  46 200.865   7.248   6.243
  404   2HD2  LEU  46          HD22      LEU  46 202.042   8.376   5.574
  405   3HD2  LEU  46          HD23      LEU  46 201.096   8.830   6.989
  406    H    ASP  47           HN       ASP  47 199.596   8.104   8.993
  407    HA   ASP  47           HA       ASP  47 197.674   6.068   9.910
  408   1HB   ASP  47          HB2       ASP  47 196.161   7.911  10.566
  409   2HB   ASP  47          HB1       ASP  47 197.668   7.936  11.477
  410    H    LYS  48           HN       LYS  48 198.871   6.761   7.235
  411    HA   LYS  48           HA       LYS  48 196.388   7.417   5.795
  412   1HB   LYS  48          HB2       LYS  48 198.166   9.015   5.355
  413   2HB   LYS  48          HB1       LYS  48 199.275   7.716   4.947
  414   1HG   LYS  48          HG2       LYS  48 197.495   7.160   3.118
  415   2HG   LYS  48          HG1       LYS  48 197.012   8.839   3.373
  416   1HD   LYS  48          HD2       LYS  48 199.596   9.278   3.141
  417   2HD   LYS  48          HD1       LYS  48 199.561   7.736   2.283
  418   1HE   LYS  48          HE2       LYS  48 198.986   8.893   0.469
  419   2HE   LYS  48          HE1       LYS  48 197.413   9.127   1.230
  420   1HZ   LYS  48          HZ1       LYS  48 198.816  11.080   2.370
  421   2HZ   LYS  48          HZ2       LYS  48 197.927  11.282   0.946
  422   3HZ   LYS  48          HZ3       LYS  48 199.595  11.006   0.869
  423    H    LYS  49           HN       LYS  49 199.349   5.472   5.489
  424    HA   LYS  49           HA       LYS  49 199.740   3.382   4.727
  425   1HB   LYS  49          HB2       LYS  49 196.794   3.195   5.250
  426   2HB   LYS  49          HB1       LYS  49 197.614   1.877   4.426
  427   1HG   LYS  49          HG2       LYS  49 199.001   2.752   6.830
  428   2HG   LYS  49          HG1       LYS  49 197.362   2.175   7.137
  429   1HD   LYS  49          HD2       LYS  49 198.261   0.280   5.417
  430   2HD   LYS  49          HD1       LYS  49 199.753   0.706   6.254
  431   1HE   LYS  49          HE2       LYS  49 197.194  -0.336   7.431
  432   2HE   LYS  49          HE1       LYS  49 198.790  -1.073   7.475
  433   1HZ   LYS  49          HZ1       LYS  49 199.158  -0.052   9.386
  434   2HZ   LYS  49          HZ2       LYS  49 197.644   0.699   9.322
  435   3HZ   LYS  49          HZ3       LYS  49 198.993   1.457   8.639
  436    H    LYS  50           HN       LYS  50 196.766   4.561   3.116
  437    HA   LYS  50           HA       LYS  50 197.350   3.316   0.652
  438   1HB   LYS  50          HB2       LYS  50 195.483   5.522   1.471
  439   2HB   LYS  50          HB1       LYS  50 195.647   5.055  -0.216
  440   1HG   LYS  50          HG2       LYS  50 195.274   2.691   1.298
  441   2HG   LYS  50          HG1       LYS  50 194.065   3.866   1.818
  442   1HD   LYS  50          HD2       LYS  50 193.235   2.504  -0.034
  443   2HD   LYS  50          HD1       LYS  50 193.381   4.198  -0.504
  444   1HE   LYS  50          HE2       LYS  50 195.832   3.222  -1.185
  445   2HE   LYS  50          HE1       LYS  50 194.797   1.830  -1.497
  446   1HZ   LYS  50          HZ1       LYS  50 193.390   3.263  -2.875
  447   2HZ   LYS  50          HZ2       LYS  50 194.975   3.183  -3.461
  448   3HZ   LYS  50          HZ3       LYS  50 194.454   4.556  -2.622
  449    H    TYR  51           HN       TYR  51 198.194   4.080  -1.249
  450    HA   TYR  51           HA       TYR  51 199.176   6.792  -1.459
  451   1HB   TYR  51          HB2       TYR  51 201.008   4.425  -1.187
  452   2HB   TYR  51          HB1       TYR  51 201.502   5.849  -2.096
  453    HD1  TYR  51           HD1      TYR  51 201.918   7.962  -0.964
  454    HD2  TYR  51           HD2      TYR  51 200.764   4.496   1.204
  455    HE1  TYR  51           HE1      TYR  51 202.615   9.050   1.125
  456    HE2  TYR  51           HE2      TYR  51 201.456   5.569   3.308
  457    HH   TYR  51           HH       TYR  51 203.019   7.377   4.020
  458    H    LEU  52           HN       LEU  52 198.554   7.369  -3.428
  459    HA   LEU  52           HA       LEU  52 198.365   5.339  -5.524
  460   1HB   LEU  52          HB2       LEU  52 196.657   7.331  -4.852
  461   2HB   LEU  52          HB1       LEU  52 197.587   8.134  -6.104
  462    HG   LEU  52           HG       LEU  52 196.992   6.403  -7.710
  463   1HD1  LEU  52          HD11      LEU  52 196.413   4.897  -5.376
  464   2HD1  LEU  52          HD12      LEU  52 196.395   4.372  -7.060
  465   3HD1  LEU  52          HD13      LEU  52 194.931   5.025  -6.326
  466   1HD2  LEU  52          HD21      LEU  52 195.336   8.345  -6.743
  467   2HD2  LEU  52          HD22      LEU  52 194.320   6.909  -6.625
  468   3HD2  LEU  52          HD23      LEU  52 195.024   7.366  -8.176
  469    H    VAL  53           HN       VAL  53 200.692   5.176  -5.661
  470    HA   VAL  53           HA       VAL  53 202.052   7.462  -6.875
  471    HB   VAL  53           HB       VAL  53 204.013   5.645  -6.769
  472   1HG1  VAL  53          HG11      VAL  53 204.563   7.542  -5.675
  473   2HG1  VAL  53          HG12      VAL  53 204.215   6.558  -4.253
  474   3HG1  VAL  53          HG13      VAL  53 202.996   7.667  -4.877
  475   1HG2  VAL  53          HG21      VAL  53 202.320   3.979  -5.811
  476   2HG2  VAL  53          HG22      VAL  53 202.438   4.915  -4.320
  477   3HG2  VAL  53          HG23      VAL  53 203.872   4.136  -4.988
  478    HA   PRO  54           HA       PRO  54 201.918   6.060 -11.044
  479   1HB   PRO  54          HB2       PRO  54 204.845   6.553 -11.148
  480   2HB   PRO  54          HB1       PRO  54 203.556   7.208 -12.164
  481   1HG   PRO  54          HG2       PRO  54 204.740   8.721 -10.315
  482   2HG   PRO  54          HG1       PRO  54 202.999   8.851 -10.629
  483   1HD   PRO  54          HD2       PRO  54 204.424   7.505  -8.373
  484   2HD   PRO  54          HD1       PRO  54 202.906   8.428  -8.362
  485    H    SER  55           HN       SER  55 203.643   4.785 -12.570
  486    HA   SER  55           HA       SER  55 204.182   2.280 -11.118
  487   1HB   SER  55          HB2       SER  55 203.676   1.061 -13.076
  488   2HB   SER  55          HB1       SER  55 202.446   2.323 -13.018
  489    HG   SER  55           HG       SER  55 204.726   2.145 -14.671
  490    H    ASP  56           HN       ASP  56 205.630   4.868 -12.777
  491    HA   ASP  56           HA       ASP  56 208.045   3.328 -13.374
  492   1HB   ASP  56          HB2       ASP  56 206.904   5.896 -14.338
  493   2HB   ASP  56          HB1       ASP  56 208.659   5.802 -14.233
  494    H    LEU  57           HN       LEU  57 206.672   5.136 -10.932
  495    HA   LEU  57           HA       LEU  57 208.738   6.713  -9.968
  496   1HB   LEU  57          HB2       LEU  57 206.427   6.760  -9.116
  497   2HB   LEU  57          HB1       LEU  57 206.685   5.195  -8.366
  498    HG   LEU  57           HG       LEU  57 208.718   6.533  -7.249
  499   1HD1  LEU  57          HD11      LEU  57 206.589   8.640  -7.437
  500   2HD1  LEU  57          HD12      LEU  57 207.985   8.597  -8.513
  501   3HD1  LEU  57          HD13      LEU  57 208.218   8.779  -6.775
  502   1HD2  LEU  57          HD21      LEU  57 206.992   7.089  -5.390
  503   2HD2  LEU  57          HD22      LEU  57 207.295   5.407  -5.822
  504   3HD2  LEU  57          HD23      LEU  57 205.860   6.229  -6.435
  505    H    THR  58           HN       THR  58 210.735   6.142  -9.431
  506    HA   THR  58           HA       THR  58 211.454   3.425  -8.900
  507    HB   THR  58           HB       THR  58 213.654   4.804  -8.152
  508    HG1  THR  58           HG1      THR  58 212.502   6.466 -10.122
  509   1HG2  THR  58          HG21      THR  58 212.776   3.497 -10.509
  510   2HG2  THR  58          HG22      THR  58 214.423   3.754  -9.931
  511   3HG2  THR  58          HG23      THR  58 213.657   4.954 -10.970
  512    H    VAL  59           HN       VAL  59 212.073   2.470  -7.016
  513    HA   VAL  59           HA       VAL  59 210.732   2.978  -4.698
  514    HB   VAL  59           HB       VAL  59 213.353   1.615  -5.203
  515   1HG1  VAL  59          HG11      VAL  59 213.191   0.714  -2.860
  516   2HG1  VAL  59          HG12      VAL  59 211.995   1.969  -2.534
  517   3HG1  VAL  59          HG13      VAL  59 213.643   2.416  -2.973
  518   1HG2  VAL  59          HG21      VAL  59 210.689   0.552  -4.282
  519   2HG2  VAL  59          HG22      VAL  59 212.095  -0.392  -4.769
  520   3HG2  VAL  59          HG23      VAL  59 211.236   0.586  -5.958
  521    H    GLY  60           HN       GLY  60 213.805   4.360  -5.736
  522   1HA   GLY  60          HA2       GLY  60 214.551   5.585  -3.316
  523   2HA   GLY  60          HA1       GLY  60 215.031   6.125  -4.919
  524    H    GLN  61           HN       GLN  61 212.372   6.574  -5.880
  525    HA   GLN  61           HA       GLN  61 211.955   9.233  -4.933
  526   1HB   GLN  61          HB2       GLN  61 210.313   7.505  -6.778
  527   2HB   GLN  61          HB1       GLN  61 210.040   9.221  -6.493
  528   1HG   GLN  61          HG2       GLN  61 212.351   9.646  -7.280
  529   2HG   GLN  61          HG1       GLN  61 212.451   7.946  -7.735
  530   1HE2  GLN  61          HE21      GLN  61 209.799   7.653  -8.653
  531   2HE2  GLN  61          HE22      GLN  61 209.643   8.524 -10.138
  532    H    PHE  62           HN       PHE  62 210.077   6.221  -4.769
  533    HA   PHE  62           HA       PHE  62 207.883   7.098  -3.342
  534   1HB   PHE  62          HB2       PHE  62 208.383   4.768  -4.311
  535   2HB   PHE  62          HB1       PHE  62 209.187   4.444  -2.781
  536    HD1  PHE  62           HD1      PHE  62 206.089   6.381  -3.412
  537    HD2  PHE  62           HD2      PHE  62 207.826   2.873  -1.753
  538    HE1  PHE  62           HE1      PHE  62 203.919   5.783  -2.422
  539    HE2  PHE  62           HE2      PHE  62 205.657   2.265  -0.758
  540    HZ   PHE  62           HZ       PHE  62 203.702   3.724  -1.097
  541    H    TYR  63           HN       TYR  63 211.044   6.092  -2.135
  542    HA   TYR  63           HA       TYR  63 210.574   6.095   0.598
  543   1HB   TYR  63          HB2       TYR  63 212.944   6.579  -1.134
  544   2HB   TYR  63          HB1       TYR  63 213.074   7.070   0.550
  545    HD1  TYR  63           HD1      TYR  63 213.616   4.485  -1.692
  546    HD2  TYR  63           HD2      TYR  63 212.260   5.200   2.267
  547    HE1  TYR  63           HE1      TYR  63 214.193   2.170  -1.086
  548    HE2  TYR  63           HE2      TYR  63 212.829   2.896   2.892
  549    HH   TYR  63           HH       TYR  63 214.748   1.076   1.666
  550    H    PHE  64           HN       PHE  64 212.174   8.690  -1.149
  551    HA   PHE  64           HA       PHE  64 212.180  10.694   0.653
  552   1HB   PHE  64          HB2       PHE  64 213.242  11.157  -1.362
  553   2HB   PHE  64          HB1       PHE  64 211.850  10.672  -2.322
  554    HD1  PHE  64           HD1      PHE  64 213.085  13.331  -0.046
  555    HD2  PHE  64           HD2      PHE  64 210.363  12.251  -3.134
  556    HE1  PHE  64           HE1      PHE  64 212.439  15.692  -0.294
  557    HE2  PHE  64           HE2      PHE  64 209.710  14.612  -3.388
  558    HZ   PHE  64           HZ       PHE  64 210.750  16.336  -1.967
  559    H    LEU  65           HN       LEU  65 209.356   9.727  -1.270
  560    HA   LEU  65           HA       LEU  65 207.766  11.921  -0.417
  561   1HB   LEU  65          HB2       LEU  65 206.383  11.195  -1.990
  562   2HB   LEU  65          HB1       LEU  65 207.576   9.960  -2.349
  563    HG   LEU  65           HG       LEU  65 206.408   8.565  -0.577
  564   1HD1  LEU  65          HD11      LEU  65 205.043  10.813  -0.026
  565   2HD1  LEU  65          HD12      LEU  65 204.400   9.200   0.279
  566   3HD1  LEU  65          HD13      LEU  65 203.935  10.072  -1.180
  567   1HD2  LEU  65          HD21      LEU  65 204.754   9.171  -3.014
  568   2HD2  LEU  65          HD22      LEU  65 204.964   7.626  -2.192
  569   3HD2  LEU  65          HD23      LEU  65 206.300   8.330  -3.103
  570    H    ILE  66           HN       ILE  66 208.250   8.629   0.723
  571    HA   ILE  66           HA       ILE  66 206.217   8.816   2.751
  572    HB   ILE  66           HB       ILE  66 208.390   6.781   2.268
  573   1HG1  ILE  66          HG12      ILE  66 206.703   6.728   0.553
  574   2HG1  ILE  66          HG11      ILE  66 206.439   5.351   1.618
  575   1HG2  ILE  66          HG21      ILE  66 206.467   7.081   4.498
  576   2HG2  ILE  66          HG22      ILE  66 208.079   6.363   4.477
  577   3HG2  ILE  66          HG23      ILE  66 206.700   5.457   3.850
  578   1HD1  ILE  66          HD11      ILE  66 204.573   6.397   2.642
  579   2HD1  ILE  66          HD12      ILE  66 204.379   6.567   0.897
  580   3HD1  ILE  66          HD13      ILE  66 204.927   7.938   1.860
  581    H    ARG  67           HN       ARG  67 209.638   9.454   2.519
  582    HA   ARG  67           HA       ARG  67 210.374   9.325   5.206
  583   1HB   ARG  67          HB2       ARG  67 211.453  10.445   2.762
  584   2HB   ARG  67          HB1       ARG  67 211.753  11.522   4.118
  585   1HG   ARG  67          HG2       ARG  67 213.375  10.219   4.882
  586   2HG   ARG  67          HG1       ARG  67 212.328   8.798   4.852
  587   1HD   ARG  67          HD2       ARG  67 212.885   8.337   2.594
  588   2HD   ARG  67          HD1       ARG  67 213.671   9.905   2.402
  589    HE   ARG  67           HE       ARG  67 214.863   8.249   4.425
  590   1HH1  ARG  67          HH11      ARG  67 214.815   9.023   1.023
  591   2HH1  ARG  67          HH12      ARG  67 216.426   8.453   0.743
  592   1HH2  ARG  67          HH21      ARG  67 216.981   7.498   4.059
  593   2HH2  ARG  67          HH22      ARG  67 217.656   7.586   2.466
  594    H    LYS  68           HN       LYS  68 208.983  12.062   3.387
  595    HA   LYS  68           HA       LYS  68 208.964  13.860   5.572
  596   1HB   LYS  68          HB2       LYS  68 207.112  13.799   3.188
  597   2HB   LYS  68          HB1       LYS  68 207.380  15.166   4.261
  598   1HG   LYS  68          HG2       LYS  68 209.489  15.587   3.416
  599   2HG   LYS  68          HG1       LYS  68 209.665  13.952   2.771
  600   1HD   LYS  68          HD2       LYS  68 207.388  15.305   1.618
  601   2HD   LYS  68          HD1       LYS  68 208.874  16.227   1.373
  602   1HE   LYS  68          HE2       LYS  68 209.939  14.336   0.341
  603   2HE   LYS  68          HE1       LYS  68 208.579  13.300   0.757
  604   1HZ   LYS  68          HZ1       LYS  68 208.310  13.854  -1.495
  605   2HZ   LYS  68          HZ2       LYS  68 208.641  15.491  -1.231
  606   3HZ   LYS  68          HZ3       LYS  68 207.194  14.820  -0.669
  607    H    ARG  69           HN       ARG  69 206.653  11.513   4.339
  608    HA   ARG  69           HA       ARG  69 204.418  12.080   5.862
  609   1HB   ARG  69          HB2       ARG  69 205.527   9.397   5.043
  610   2HB   ARG  69          HB1       ARG  69 203.922   9.632   5.707
  611   1HG   ARG  69          HG2       ARG  69 204.803  11.162   3.310
  612   2HG   ARG  69          HG1       ARG  69 204.250   9.497   3.146
  613   1HD   ARG  69          HD2       ARG  69 202.726  11.876   3.323
  614   2HD   ARG  69          HD1       ARG  69 202.163  10.221   3.113
  615    HE   ARG  69           HE       ARG  69 202.383  10.245   5.718
  616   1HH1  ARG  69          HH11      ARG  69 201.216  12.829   3.677
  617   2HH1  ARG  69          HH12      ARG  69 200.186  13.489   4.900
  618   1HH2  ARG  69          HH21      ARG  69 201.026  11.112   7.317
  619   2HH2  ARG  69          HH22      ARG  69 200.077  12.516   6.963
  620    H    ILE  70           HN       ILE  70 207.470  10.788   6.822
  621    HA   ILE  70           HA       ILE  70 206.470  10.208   9.529
  622    HB   ILE  70           HB       ILE  70 209.042   9.125   9.340
  623   1HG1  ILE  70          HG12      ILE  70 207.525   8.009   7.019
  624   2HG1  ILE  70          HG11      ILE  70 208.524   9.437   6.788
  625   1HG2  ILE  70          HG21      ILE  70 206.657   8.366  10.287
  626   2HG2  ILE  70          HG22      ILE  70 208.011   7.257  10.083
  627   3HG2  ILE  70          HG23      ILE  70 206.747   7.337   8.859
  628   1HD1  ILE  70          HD11      ILE  70 209.874   7.293   8.217
  629   2HD1  ILE  70          HD12      ILE  70 210.410   8.280   6.856
  630   3HD1  ILE  70          HD13      ILE  70 209.381   6.876   6.576
  631    H    HIS  71           HN       HIS  71 207.998  12.560   7.868
  632    HA   HIS  71           HA       HIS  71 209.105  14.422   8.522
  633   1HB   HIS  71          HB2       HIS  71 209.397  13.258  11.292
  634   2HB   HIS  71          HB1       HIS  71 209.434  14.954  10.822
  635    HD1  HIS  71           HD1      HIS  71 206.729  14.095   8.950
  636    HD2  HIS  71           HD2      HIS  71 207.280  14.187  13.067
  637    HE1  HIS  71           HE1      HIS  71 204.422  14.283   9.933
  638    HE2  HIS  71           HE2      HIS  71 204.776  14.251  12.427
  639    H    LEU  72           HN       LEU  72 210.401  12.676   7.158
  640    HA   LEU  72           HA       LEU  72 213.093  12.587   8.350
  641   1HB   LEU  72          HB2       LEU  72 211.905  10.626   6.400
  642   2HB   LEU  72          HB1       LEU  72 213.518  10.551   7.089
  643    HG   LEU  72           HG       LEU  72 210.880  10.012   8.419
  644   1HD1  LEU  72          HD11      LEU  72 211.711   7.889   8.798
  645   2HD1  LEU  72          HD12      LEU  72 213.390   8.405   8.640
  646   3HD1  LEU  72          HD13      LEU  72 212.369   8.277   7.209
  647   1HD2  LEU  72          HD21      LEU  72 213.320  11.113   9.632
  648   2HD2  LEU  72          HD22      LEU  72 212.657   9.691  10.435
  649   3HD2  LEU  72          HD23      LEU  72 211.656  11.127  10.212
  650    H    ARG  73           HN       ARG  73 214.734  13.407   7.121
  651    HA   ARG  73           HA       ARG  73 214.043  14.288   4.397
  652   1HB   ARG  73          HB2       ARG  73 215.703  16.216   4.972
  653   2HB   ARG  73          HB1       ARG  73 214.030  16.308   5.505
  654   1HG   ARG  73          HG2       ARG  73 216.140  15.167   7.290
  655   2HG   ARG  73          HG1       ARG  73 215.907  16.911   7.160
  656   1HD   ARG  73          HD2       ARG  73 213.434  15.389   7.547
  657   2HD   ARG  73          HD1       ARG  73 214.574  15.268   8.885
  658    HE   ARG  73           HE       ARG  73 214.134  17.960   7.980
  659   1HH1  ARG  73          HH11      ARG  73 212.984  15.424  10.083
  660   2HH1  ARG  73          HH12      ARG  73 212.189  16.513  11.170
  661   1HH2  ARG  73          HH21      ARG  73 213.090  19.395   9.408
  662   2HH2  ARG  73          HH22      ARG  73 212.249  18.768  10.786
  663    H    ALA  74           HN       ALA  74 215.123  12.171   3.910
  664    HA   ALA  74           HA       ALA  74 216.876  11.034   3.006
  665   1HB   ALA  74          HB1       ALA  74 218.349  13.659   3.071
  666   2HB   ALA  74          HB2       ALA  74 217.192  13.201   1.822
  667   3HB   ALA  74          HB3       ALA  74 218.675  12.272   2.033
  668    H    GLU  75           HN       GLU  75 218.572  13.423   5.044
  669    HA   GLU  75           HA       GLU  75 220.590  11.831   5.962
  670   1HB   GLU  75          HB2       GLU  75 219.092  14.002   7.433
  671   2HB   GLU  75          HB1       GLU  75 220.581  13.279   8.026
  672   1HG   GLU  75          HG2       GLU  75 220.764  14.227   5.275
  673   2HG   GLU  75          HG1       GLU  75 220.398  15.498   6.441
  674    H    ASP  76           HN       ASP  76 217.255  11.859   6.979
  675    HA   ASP  76           HA       ASP  76 217.655  10.212   9.295
  676   1HB   ASP  76          HB2       ASP  76 215.250  11.168   7.769
  677   2HB   ASP  76          HB1       ASP  76 215.084   9.930   9.011
  678    H    ALA  77           HN       ALA  77 216.849   8.047   9.530
  679    HA   ALA  77           HA       ALA  77 217.466   6.442   7.192
  680   1HB   ALA  77          HB1       ALA  77 218.524   5.854   9.300
  681   2HB   ALA  77          HB2       ALA  77 217.478   4.549   8.738
  682   3HB   ALA  77          HB3       ALA  77 216.943   5.610  10.042
  683    H    LEU  78           HN       LEU  78 216.116   5.084   6.179
  684    HA   LEU  78           HA       LEU  78 213.510   4.417   7.135
  685   1HB   LEU  78          HB2       LEU  78 213.036   6.682   6.403
  686   2HB   LEU  78          HB1       LEU  78 213.746   6.353   4.834
  687    HG   LEU  78           HG       LEU  78 211.956   4.661   4.439
  688   1HD1  LEU  78          HD11      LEU  78 211.190   3.988   6.509
  689   2HD1  LEU  78          HD12      LEU  78 209.905   5.069   5.969
  690   3HD1  LEU  78          HD13      LEU  78 211.104   5.637   7.131
  691   1HD2  LEU  78          HD21      LEU  78 210.878   7.405   5.057
  692   2HD2  LEU  78          HD22      LEU  78 210.260   6.250   3.876
  693   3HD2  LEU  78          HD23      LEU  78 211.830   7.014   3.626
  694    H    PHE  79           HN       PHE  79 213.448   2.353   6.554
  695    HA   PHE  79           HA       PHE  79 214.332   1.634   3.834
  696   1HB   PHE  79          HB2       PHE  79 214.293  -0.157   6.277
  697   2HB   PHE  79          HB1       PHE  79 214.883  -0.588   4.677
  698    HD1  PHE  79           HD1      PHE  79 217.108  -0.263   4.116
  699    HD2  PHE  79           HD2      PHE  79 215.496   1.722   7.516
  700    HE1  PHE  79           HE1      PHE  79 219.369   0.470   4.755
  701    HE2  PHE  79           HE2      PHE  79 217.753   2.463   8.159
  702    HZ   PHE  79           HZ       PHE  79 219.692   1.836   6.778
  703    H    PHE  80           HN       PHE  80 212.874   0.672   2.537
  704    HA   PHE  80           HA       PHE  80 210.179   0.351   3.534
  705   1HB   PHE  80          HB2       PHE  80 211.431   0.277   0.807
  706   2HB   PHE  80          HB1       PHE  80 209.796  -0.324   1.052
  707    HD1  PHE  80           HD1      PHE  80 209.176   1.814   3.263
  708    HD2  PHE  80           HD2      PHE  80 210.743   2.010  -0.689
  709    HE1  PHE  80           HE1      PHE  80 208.316   4.107   3.041
  710    HE2  PHE  80           HE2      PHE  80 209.882   4.300  -0.917
  711    HZ   PHE  80           HZ       PHE  80 208.667   5.350   0.948
  712    H    PHE  81           HN       PHE  81 208.990  -1.534   3.544
  713    HA   PHE  81           HA       PHE  81 210.433  -4.016   2.995
  714   1HB   PHE  81          HB2       PHE  81 208.918  -3.426   5.543
  715   2HB   PHE  81          HB1       PHE  81 209.581  -4.998   5.099
  716    HD1  PHE  81           HD1      PHE  81 210.386  -1.584   6.150
  717    HD2  PHE  81           HD2      PHE  81 211.937  -5.436   5.230
  718    HE1  PHE  81           HE1      PHE  81 212.544  -0.946   7.142
  719    HE2  PHE  81           HE2      PHE  81 214.098  -4.810   6.227
  720    HZ   PHE  81           HZ       PHE  81 214.411  -2.560   7.175
  721    H    VAL  82           HN       VAL  82 209.298  -4.984   1.469
  722    HA   VAL  82           HA       VAL  82 206.359  -4.960   1.676
  723    HB   VAL  82           HB       VAL  82 207.306  -3.778  -0.337
  724   1HG1  VAL  82          HG11      VAL  82 208.255  -5.046  -2.140
  725   2HG1  VAL  82          HG12      VAL  82 208.059  -6.551  -1.243
  726   3HG1  VAL  82          HG13      VAL  82 209.206  -5.334  -0.683
  727   1HG2  VAL  82          HG21      VAL  82 205.034  -5.008  -0.125
  728   2HG2  VAL  82          HG22      VAL  82 205.750  -6.161  -1.250
  729   3HG2  VAL  82          HG23      VAL  82 205.579  -4.467  -1.714
  730    H    ASN  83           HN       ASN  83 205.499  -6.871   2.154
  731    HA   ASN  83           HA       ASN  83 205.221  -9.121   2.388
  732   1HB   ASN  83          HB2       ASN  83 207.348  -9.458   0.262
  733   2HB   ASN  83          HB1       ASN  83 206.110 -10.621   0.728
  734   1HD2  ASN  83          HD21      ASN  83 205.972 -10.411  -1.738
  735   2HD2  ASN  83          HD22      ASN  83 204.800  -9.285  -2.326
  736    H    ASN  84           HN       ASN  84 207.411  -7.444   3.632
  737    HA   ASN  84           HA       ASN  84 208.707  -7.857   5.477
  738   1HB   ASN  84          HB2       ASN  84 207.668 -10.222   5.442
  739   2HB   ASN  84          HB1       ASN  84 209.150 -10.708   4.622
  740   1HD2  ASN  84          HD21      ASN  84 208.292  -8.636   7.379
  741   2HD2  ASN  84          HD22      ASN  84 209.447  -9.320   8.467
  742    H    VAL  85           HN       VAL  85 209.481  -7.780   2.327
  743    HA   VAL  85           HA       VAL  85 212.357  -8.076   2.854
  744    HB   VAL  85           HB       VAL  85 211.469  -9.636   1.199
  745   1HG1  VAL  85          HG11      VAL  85 210.329  -7.214   0.071
  746   2HG1  VAL  85          HG12      VAL  85 209.848  -8.897  -0.143
  747   3HG1  VAL  85          HG13      VAL  85 211.152  -8.220  -1.120
  748   1HG2  VAL  85          HG21      VAL  85 213.818  -8.638   1.168
  749   2HG2  VAL  85          HG22      VAL  85 213.254  -7.699  -0.215
  750   3HG2  VAL  85          HG23      VAL  85 213.261  -9.461  -0.289
  751    H    ILE  86           HN       ILE  86 213.766  -6.682   1.675
  752    HA   ILE  86           HA       ILE  86 212.722  -3.959   1.564
  753    HB   ILE  86           HB       ILE  86 215.570  -4.945   1.489
  754   1HG1  ILE  86          HG12      ILE  86 213.696  -4.145   3.671
  755   2HG1  ILE  86          HG11      ILE  86 214.914  -5.415   3.649
  756   1HG2  ILE  86          HG21      ILE  86 216.189  -2.616   1.861
  757   2HG2  ILE  86          HG22      ILE  86 214.491  -2.143   1.812
  758   3HG2  ILE  86          HG23      ILE  86 215.270  -2.782   0.365
  759   1HD1  ILE  86          HD11      ILE  86 216.663  -3.754   3.882
  760   2HD1  ILE  86          HD12      ILE  86 215.489  -3.631   5.191
  761   3HD1  ILE  86          HD13      ILE  86 215.455  -2.470   3.866
  762    HA   PRO  87           HA       PRO  87 212.781  -4.351  -2.922
  763   1HB   PRO  87          HB2       PRO  87 211.628  -1.979  -3.476
  764   2HB   PRO  87          HB1       PRO  87 210.699  -3.353  -2.866
  765   1HG   PRO  87          HG2       PRO  87 211.754  -0.975  -1.385
  766   2HG   PRO  87          HG1       PRO  87 210.167  -1.756  -1.260
  767   1HD   PRO  87          HD2       PRO  87 212.194  -2.193   0.509
  768   2HD   PRO  87          HD1       PRO  87 210.952  -3.404   0.134
  769    HA   PRO  88           HA       PRO  88 216.469  -2.097  -3.906
  770   1HB   PRO  88          HB2       PRO  88 215.772  -2.287  -6.736
  771   2HB   PRO  88          HB1       PRO  88 217.067  -3.096  -5.852
  772   1HG   PRO  88          HG2       PRO  88 214.919  -4.428  -6.813
  773   2HG   PRO  88          HG1       PRO  88 215.754  -4.910  -5.324
  774   1HD   PRO  88          HD2       PRO  88 213.212  -3.355  -5.651
  775   2HD   PRO  88          HD1       PRO  88 213.594  -4.669  -4.516
  776    H    THR  89           HN       THR  89 216.945   0.017  -4.030
  777    HA   THR  89           HA       THR  89 214.992   1.986  -4.368
  778    HB   THR  89           HB       THR  89 217.040   3.525  -4.670
  779    HG1  THR  89           HG1      THR  89 218.376   1.680  -5.350
  780   1HG2  THR  89          HG21      THR  89 217.294   1.892  -2.192
  781   2HG2  THR  89          HG22      THR  89 215.845   2.858  -2.471
  782   3HG2  THR  89          HG23      THR  89 217.427   3.636  -2.411
  783    H    SER  90           HN       SER  90 216.946   0.319  -6.686
  784    HA   SER  90           HA       SER  90 216.603   2.242  -8.792
  785   1HB   SER  90          HB2       SER  90 218.459   0.395  -8.465
  786   2HB   SER  90          HB1       SER  90 217.305  -0.616  -9.335
  787    HG   SER  90           HG       SER  90 217.361   0.875 -11.035
  788    H    ALA  91           HN       ALA  91 214.989  -0.684  -7.721
  789    HA   ALA  91           HA       ALA  91 213.427  -1.197  -9.983
  790   1HB   ALA  91          HB1       ALA  91 211.951  -2.439  -8.486
  791   2HB   ALA  91          HB2       ALA  91 212.727  -1.691  -7.091
  792   3HB   ALA  91          HB3       ALA  91 213.646  -2.777  -8.134
  793    H    THR  92           HN       THR  92 211.193  -0.756 -10.391
  794    HA   THR  92           HA       THR  92 210.394   1.898  -9.422
  795    HB   THR  92           HB       THR  92 208.977   2.019 -11.414
  796    HG1  THR  92           HG1      THR  92 210.006  -0.560 -11.984
  797   1HG2  THR  92          HG21      THR  92 211.851   1.711 -11.559
  798   2HG2  THR  92          HG22      THR  92 210.793   2.884 -12.343
  799   3HG2  THR  92          HG23      THR  92 211.051   1.301 -13.078
  800    H    MET  93           HN       MET  93 208.314   2.295  -8.672
  801    HA   MET  93           HA       MET  93 207.131   0.485  -6.999
  802   1HB   MET  93          HB2       MET  93 205.872   2.786  -8.494
  803   2HB   MET  93          HB1       MET  93 205.052   1.902  -7.216
  804   1HG   MET  93          HG2       MET  93 207.534   3.574  -6.986
  805   2HG   MET  93          HG1       MET  93 205.946   3.903  -6.301
  806   1HE   MET  93          HE1       MET  93 205.722   0.794  -3.805
  807   2HE   MET  93          HE2       MET  93 205.784   0.351  -5.512
  808   3HE   MET  93          HE3       MET  93 204.809   1.725  -4.992
  809    H    GLY  94           HN       GLY  94 206.591   0.904 -10.442
  810   1HA   GLY  94          HA2       GLY  94 204.264  -0.663 -10.686
  811   2HA   GLY  94          HA1       GLY  94 205.428  -0.358 -11.968
  812    H    GLN  95           HN       GLN  95 207.696  -1.546 -10.987
  813    HA   GLN  95           HA       GLN  95 207.281  -4.248 -11.612
  814   1HB   GLN  95          HB2       GLN  95 209.589  -2.844 -10.266
  815   2HB   GLN  95          HB1       GLN  95 209.621  -4.549 -10.694
  816   1HG   GLN  95          HG2       GLN  95 209.359  -4.006 -13.033
  817   2HG   GLN  95          HG1       GLN  95 209.212  -2.293 -12.642
  818   1HE2  GLN  95          HE21      GLN  95 211.418  -5.019 -12.095
  819   2HE2  GLN  95          HE22      GLN  95 212.870  -4.112 -12.329
  820    H    LEU  96           HN       LEU  96 207.379  -2.516  -8.576
  821    HA   LEU  96           HA       LEU  96 207.474  -4.808  -6.897
  822   1HB   LEU  96          HB2       LEU  96 206.354  -2.077  -6.256
  823   2HB   LEU  96          HB1       LEU  96 206.841  -3.300  -5.099
  824    HG   LEU  96           HG       LEU  96 208.618  -1.665  -6.899
  825   1HD1  LEU  96          HD11      LEU  96 209.660  -1.114  -4.679
  826   2HD1  LEU  96          HD12      LEU  96 208.285  -1.916  -3.920
  827   3HD1  LEU  96          HD13      LEU  96 208.030  -0.490  -4.925
  828   1HD2  LEU  96          HD21      LEU  96 209.317  -4.069  -6.819
  829   2HD2  LEU  96          HD22      LEU  96 209.491  -3.897  -5.073
  830   3HD2  LEU  96          HD23      LEU  96 210.496  -2.937  -6.158
  831    H    TYR  97           HN       TYR  97 204.844  -2.747  -8.083
  832    HA   TYR  97           HA       TYR  97 202.751  -4.087  -6.765
  833   1HB   TYR  97          HB2       TYR  97 202.427  -1.878  -7.732
  834   2HB   TYR  97          HB1       TYR  97 202.718  -2.516  -9.348
  835    HD1  TYR  97           HD1      TYR  97 200.264  -1.777  -6.903
  836    HD2  TYR  97           HD2      TYR  97 201.102  -4.368 -10.166
  837    HE1  TYR  97           HE1      TYR  97 197.859  -2.251  -7.133
  838    HE2  TYR  97           HE2      TYR  97 198.702  -4.848 -10.412
  839    HH   TYR  97           HH       TYR  97 196.278  -3.111  -8.584
  840    H    GLN  98           HN       GLN  98 204.508  -4.780  -9.698
  841    HA   GLN  98           HA       GLN  98 202.582  -6.733 -10.597
  842   1HB   GLN  98          HB2       GLN  98 205.337  -6.038 -11.596
  843   2HB   GLN  98          HB1       GLN  98 204.262  -7.202 -12.357
  844   1HG   GLN  98          HG2       GLN  98 202.634  -5.066 -12.244
  845   2HG   GLN  98          HG1       GLN  98 204.197  -4.264 -12.388
  846   1HE2  GLN  98          HE21      GLN  98 204.399  -3.644 -14.420
  847   2HE2  GLN  98          HE22      GLN  98 204.115  -4.626 -15.812
  848    H    GLU  99           HN       GLU  99 205.449  -6.692  -8.647
  849    HA   GLU  99           HA       GLU  99 205.446  -9.639  -8.629
  850   1HB   GLU  99          HB2       GLU  99 207.699  -7.676  -8.347
  851   2HB   GLU  99          HB1       GLU  99 207.860  -9.363  -7.875
  852   1HG   GLU  99          HG2       GLU  99 206.828  -9.565 -10.393
  853   2HG   GLU  99          HG1       GLU  99 207.857  -8.138 -10.522
  854    H    HIS 100           HN       HIS 100 204.257  -7.300  -6.767
  855    HA   HIS 100           HA       HIS 100 204.755  -8.849  -4.350
  856   1HB   HIS 100          HB2       HIS 100 205.331  -5.892  -4.518
  857   2HB   HIS 100          HB1       HIS 100 205.260  -6.812  -3.022
  858    HD1  HIS 100           HD1      HIS 100 207.334  -8.042  -2.331
  859    HD2  HIS 100           HD2      HIS 100 207.529  -6.657  -6.243
  860    HE1  HIS 100           HE1      HIS 100 209.703  -8.447  -3.070
  861    HE2  HIS 100           HE2      HIS 100 209.819  -7.524  -5.411
  862    H    HIS 101           HN       HIS 101 202.492  -7.558  -6.278
  863    HA   HIS 101           HA       HIS 101 200.789  -6.331  -4.322
  864   1HB   HIS 101          HB2       HIS 101 199.135  -6.190  -6.054
  865   2HB   HIS 101          HB1       HIS 101 200.691  -5.790  -6.764
  866    HD1  HIS 101           HD1      HIS 101 201.855  -7.992  -8.026
  867    HD2  HIS 101           HD2      HIS 101 197.736  -7.994  -7.484
  868    HE1  HIS 101           HE1      HIS 101 200.964  -9.690  -9.650
  869    HE2  HIS 101           HE2      HIS 101 198.464  -9.618  -9.360
  870    H    GLU 102           HN       GLU 102 199.883  -7.456  -2.745
  871    HA   GLU 102           HA       GLU 102 199.442 -10.288  -2.952
  872   1HB   GLU 102          HB2       GLU 102 198.618  -8.349  -0.782
  873   2HB   GLU 102          HB1       GLU 102 198.590 -10.104  -0.657
  874   1HG   GLU 102          HG2       GLU 102 201.193  -9.101  -1.447
  875   2HG   GLU 102          HG1       GLU 102 200.650  -8.431   0.091
  876    H    GLU 103           HN       GLU 103 198.024  -9.653  -4.956
  877    HA   GLU 103           HA       GLU 103 195.973  -9.686  -5.939
  878   1HB   GLU 103          HB2       GLU 103 195.835 -11.398  -3.749
  879   2HB   GLU 103          HB1       GLU 103 194.392 -10.403  -3.606
  880   1HG   GLU 103          HG2       GLU 103 193.475 -11.204  -5.540
  881   2HG   GLU 103          HG1       GLU 103 195.041 -11.588  -6.253
  882    H    ASP 104           HN       ASP 104 193.438  -9.088  -5.107
  883    HA   ASP 104           HA       ASP 104 192.027  -7.334  -4.767
  884   1HB   ASP 104          HB2       ASP 104 193.977  -6.158  -2.813
  885   2HB   ASP 104          HB1       ASP 104 192.220  -6.148  -2.772
  886    H    PHE 105           HN       PHE 105 194.473  -7.083  -6.612
  887    HA   PHE 105           HA       PHE 105 195.470  -5.504  -7.928
  888   1HB   PHE 105          HB2       PHE 105 192.816  -4.181  -7.355
  889   2HB   PHE 105          HB1       PHE 105 193.964  -3.576  -8.545
  890    HD1  PHE 105           HD1      PHE 105 191.057  -5.364  -8.221
  891    HD2  PHE 105           HD2      PHE 105 194.851  -5.608 -10.141
  892    HE1  PHE 105           HE1      PHE 105 190.103  -6.872  -9.913
  893    HE2  PHE 105           HE2      PHE 105 193.900  -7.118 -11.834
  894    HZ   PHE 105           HZ       PHE 105 191.523  -7.752 -11.721
  895    H    PHE 106           HN       PHE 106 195.845  -5.319  -4.960
  896    HA   PHE 106           HA       PHE 106 196.580  -2.478  -4.781
  897   1HB   PHE 106          HB2       PHE 106 195.274  -4.299  -2.899
  898   2HB   PHE 106          HB1       PHE 106 196.628  -3.422  -2.194
  899    HD1  PHE 106           HD1      PHE 106 194.515  -2.096  -4.885
  900    HD2  PHE 106           HD2      PHE 106 195.349  -2.080  -0.711
  901    HE1  PHE 106           HE1      PHE 106 193.081  -0.101  -4.602
  902    HE2  PHE 106           HE2      PHE 106 193.917  -0.098  -0.423
  903    HZ   PHE 106           HZ       PHE 106 192.783   0.892  -2.371
  904    H    LEU 107           HN       LEU 107 198.452  -1.957  -3.566
  905    HA   LEU 107           HA       LEU 107 200.505  -4.061  -3.443
  906   1HB   LEU 107          HB2       LEU 107 200.968  -2.759  -5.417
  907   2HB   LEU 107          HB1       LEU 107 200.723  -1.256  -4.555
  908    HG   LEU 107           HG       LEU 107 203.099  -1.659  -5.047
  909   1HD1  LEU 107          HD11      LEU 107 202.135  -0.606  -2.853
  910   2HD1  LEU 107          HD12      LEU 107 203.860  -0.836  -3.100
  911   3HD1  LEU 107          HD13      LEU 107 202.949  -1.983  -2.120
  912   1HD2  LEU 107          HD21      LEU 107 203.987  -3.549  -3.305
  913   2HD2  LEU 107          HD22      LEU 107 203.703  -3.828  -5.024
  914   3HD2  LEU 107          HD23      LEU 107 202.468  -4.266  -3.844
  915    H    TYR 108           HN       TYR 108 200.702  -4.308  -1.235
  916    HA   TYR 108           HA       TYR 108 200.707  -1.855   0.374
  917   1HB   TYR 108          HB2       TYR 108 199.785  -3.011   2.118
  918   2HB   TYR 108          HB1       TYR 108 199.186  -3.984   0.784
  919    HD1  TYR 108           HD1      TYR 108 201.584  -5.611   0.139
  920    HD2  TYR 108           HD2      TYR 108 199.923  -4.422   3.852
  921    HE1  TYR 108           HE1      TYR 108 202.561  -7.610   1.193
  922    HE2  TYR 108           HE2      TYR 108 200.896  -6.418   4.939
  923    HH   TYR 108           HH       TYR 108 202.775  -7.996   4.542
  924    H    ILE 109           HN       ILE 109 202.339  -1.218   1.603
  925    HA   ILE 109           HA       ILE 109 204.801  -2.827   1.617
  926    HB   ILE 109           HB       ILE 109 204.561   0.086   0.894
  927   1HG1  ILE 109          HG12      ILE 109 204.878  -2.420  -0.692
  928   2HG1  ILE 109          HG11      ILE 109 203.872  -1.012  -0.988
  929   1HG2  ILE 109          HG21      ILE 109 207.016  -0.161   0.330
  930   2HG2  ILE 109          HG22      ILE 109 206.978  -1.675   1.234
  931   3HG2  ILE 109          HG23      ILE 109 206.612  -0.150   2.044
  932   1HD1  ILE 109          HD11      ILE 109 205.646  -1.218  -2.640
  933   2HD1  ILE 109          HD12      ILE 109 206.852  -1.133  -1.353
  934   3HD1  ILE 109          HD13      ILE 109 205.818   0.257  -1.686
  935    H    ALA 110           HN       ALA 110 206.457  -1.917   3.126
  936    HA   ALA 110           HA       ALA 110 205.300  -0.451   5.403
  937   1HB   ALA 110          HB1       ALA 110 206.799  -1.951   6.850
  938   2HB   ALA 110          HB2       ALA 110 206.790  -3.047   5.469
  939   3HB   ALA 110          HB3       ALA 110 205.275  -2.614   6.262
  940    H    TYR 111           HN       TYR 111 206.997   0.409   6.847
  941    HA   TYR 111           HA       TYR 111 209.596   0.818   5.599
  942   1HB   TYR 111          HB2       TYR 111 209.470   3.199   5.518
  943   2HB   TYR 111          HB1       TYR 111 208.040   2.585   4.699
  944    HD1  TYR 111           HD1      TYR 111 205.873   3.113   5.484
  945    HD2  TYR 111           HD2      TYR 111 209.261   4.084   7.826
  946    HE1  TYR 111           HE1      TYR 111 204.441   4.445   6.970
  947    HE2  TYR 111           HE2      TYR 111 207.854   5.418   9.342
  948    HH   TYR 111           HH       TYR 111 204.495   5.251   9.340
  949    H    SER 112           HN       SER 112 211.187   0.939   7.063
  950    HA   SER 112           HA       SER 112 210.524   1.612   9.860
  951   1HB   SER 112          HB2       SER 112 210.716  -0.872   9.520
  952   2HB   SER 112          HB1       SER 112 212.395  -0.618   9.051
  953    HG   SER 112           HG       SER 112 212.914  -0.190  11.066
  954    H    ASP 113           HN       ASP 113 212.589   1.943  11.155
  955    HA   ASP 113           HA       ASP 113 214.308   3.735   9.630
  956   1HB   ASP 113          HB2       ASP 113 213.280   4.493  11.767
  957   2HB   ASP 113          HB1       ASP 113 214.205   3.258  12.616
  958    H    GLU 114           HN       GLU 114 214.351   0.590   9.979
  959    HA   GLU 114           HA       GLU 114 217.280   0.436  10.125
  960   1HB   GLU 114          HB2       GLU 114 215.332  -1.431  11.488
  961   2HB   GLU 114          HB1       GLU 114 217.054  -1.746  11.319
  962   1HG   GLU 114          HG2       GLU 114 217.072   0.722  12.450
  963   2HG   GLU 114          HG1       GLU 114 215.628   0.015  13.173
  964    H    SER 115           HN       SER 115 217.955  -1.877   9.361
  965    HA   SER 115           HA       SER 115 216.850  -2.162   6.714
  966   1HB   SER 115          HB2       SER 115 218.654  -3.785   6.344
  967   2HB   SER 115          HB1       SER 115 219.279  -2.299   7.059
  968    HG   SER 115           HG       SER 115 219.234  -3.380   9.094
  969    H    VAL 116           HN       VAL 116 215.747  -3.301   9.547
  970    HA   VAL 116           HA       VAL 116 214.835  -5.832   8.374
  971    HB   VAL 116           HB       VAL 116 214.130  -5.729  11.128
  972   1HG1  VAL 116          HG11      VAL 116 214.422  -7.810  10.135
  973   2HG1  VAL 116          HG12      VAL 116 215.826  -7.662  11.192
  974   3HG1  VAL 116          HG13      VAL 116 215.994  -7.379   9.460
  975   1HG2  VAL 116          HG21      VAL 116 217.016  -5.013  10.623
  976   2HG2  VAL 116          HG22      VAL 116 216.425  -5.691  12.139
  977   3HG2  VAL 116          HG23      VAL 116 215.836  -4.123  11.586
  978    H    TYR 117           HN       TYR 117 212.586  -6.350   8.806
  979    HA   TYR 117           HA       TYR 117 210.874  -4.195   8.231
  980   1HB   TYR 117          HB2       TYR 117 210.174  -6.367   7.529
  981   2HB   TYR 117          HB1       TYR 117 210.295  -7.009   9.166
  982    HD1  TYR 117           HD1      TYR 117 208.674  -3.949   7.787
  983    HD2  TYR 117           HD2      TYR 117 208.178  -7.606   9.897
  984    HE1  TYR 117           HE1      TYR 117 206.318  -3.388   8.183
  985    HE2  TYR 117           HE2      TYR 117 205.815  -7.057  10.300
  986    HH   TYR 117           HH       TYR 117 204.232  -4.458   8.708
  987    H    GLY 118           HN       GLY 118 211.749  -2.834  10.061
  988   1HA   GLY 118          HA2       GLY 118 211.267  -1.701  12.002
  989   2HA   GLY 118          HA1       GLY 118 209.767  -2.610  12.068
  990    H    LEU 119           HN       LEU 119 210.097  -4.961  12.682
  991    HA   LEU 119           HA       LEU 119 210.526  -5.493  15.171
  992   1HB   LEU 119          HB2       LEU 119 211.455  -7.083  12.814
  993   2HB   LEU 119          HB1       LEU 119 211.668  -7.702  14.444
  994    HG   LEU 119           HG       LEU 119 208.957  -6.741  13.987
  995   1HD1  LEU 119          HD11      LEU 119 209.337  -9.284  12.571
  996   2HD1  LEU 119          HD12      LEU 119 209.978  -7.871  11.734
  997   3HD1  LEU 119          HD13      LEU 119 208.277  -7.924  12.201
  998   1HD2  LEU 119          HD21      LEU 119 208.390  -8.865  14.996
  999   2HD2  LEU 119          HD22      LEU 119 209.696  -8.091  15.896
 1000   3HD2  LEU 119          HD23      LEU 119 210.051  -9.429  14.802
  Start of MODEL   13
    1   1H    GLY   1          HT1       GLY   1 205.490 -16.550   6.335
    2   2H    GLY   1          HT2       GLY   1 205.323 -16.235   4.682
    3   3H    GLY   1          HT3       GLY   1 203.955 -16.559   5.623
    4   1HA   GLY   1          HA1       GLY   1 205.421 -14.094   5.273
    5   2HA   GLY   1          HA2       GLY   1 203.731 -14.344   5.687
    6    H    SER   2           HN       SER   2 205.443 -12.412   6.871
    7    HA   SER   2           HA       SER   2 205.064 -13.128   9.646
    8   1HB   SER   2          HB2       SER   2 207.809 -12.137   9.007
    9   2HB   SER   2          HB1       SER   2 207.257 -13.113  10.369
   10    HG   SER   2           HG       SER   2 207.083 -14.880   8.953
   11    H    MET   3           HN       MET   3 204.130 -11.123   7.644
   12    HA   MET   3           HA       MET   3 205.120  -8.644   8.843
   13   1HB   MET   3          HB2       MET   3 203.665  -9.287   6.304
   14   2HB   MET   3          HB1       MET   3 203.569  -7.665   6.969
   15   1HG   MET   3          HG2       MET   3 206.148  -7.784   7.022
   16   2HG   MET   3          HG1       MET   3 205.941  -9.123   5.895
   17   1HE   MET   3          HE1       MET   3 205.541  -4.678   5.077
   18   2HE   MET   3          HE2       MET   3 206.903  -5.512   5.835
   19   3HE   MET   3          HE3       MET   3 205.346  -5.425   6.661
   20    H    LYS   4           HN       LYS   4 203.738  -7.121   9.778
   21    HA   LYS   4           HA       LYS   4 201.062  -8.132  10.496
   22   1HB   LYS   4          HB2       LYS   4 203.077  -6.627  12.161
   23   2HB   LYS   4          HB1       LYS   4 201.380  -6.739  12.610
   24   1HG   LYS   4          HG2       LYS   4 202.312  -8.456  13.819
   25   2HG   LYS   4          HG1       LYS   4 201.748  -9.295  12.374
   26   1HD   LYS   4          HD2       LYS   4 203.815 -10.018  11.996
   27   2HD   LYS   4          HD1       LYS   4 204.365  -8.349  11.840
   28   1HE   LYS   4          HE2       LYS   4 204.170  -9.925  14.405
   29   2HE   LYS   4          HE1       LYS   4 205.653  -9.551  13.529
   30   1HZ   LYS   4          HZ1       LYS   4 204.726  -8.079  15.533
   31   2HZ   LYS   4          HZ2       LYS   4 203.989  -7.279  14.238
   32   3HZ   LYS   4          HZ3       LYS   4 205.671  -7.444  14.280
   33    H    PHE   5           HN       PHE   5 199.511  -6.958   9.577
   34    HA   PHE   5           HA       PHE   5 199.941  -4.056   9.281
   35   1HB   PHE   5          HB2       PHE   5 198.802  -6.042   7.337
   36   2HB   PHE   5          HB1       PHE   5 198.353  -4.343   7.249
   37    HD1  PHE   5           HD1      PHE   5 201.494  -6.310   7.689
   38    HD2  PHE   5           HD2      PHE   5 199.500  -3.128   5.694
   39    HE1  PHE   5           HE1      PHE   5 203.532  -5.838   6.407
   40    HE2  PHE   5           HE2      PHE   5 201.540  -2.654   4.404
   41    HZ   PHE   5           HZ       PHE   5 203.562  -4.011   4.760
   42    H    VAL   6           HN       VAL   6 197.933  -2.790   9.098
   43    HA   VAL   6           HA       VAL   6 195.672  -4.029  10.512
   44    HB   VAL   6           HB       VAL   6 195.613  -1.289  11.160
   45   1HG1  VAL   6          HG11      VAL   6 196.048  -2.222  13.493
   46   2HG1  VAL   6          HG12      VAL   6 196.127  -3.800  12.708
   47   3HG1  VAL   6          HG13      VAL   6 194.651  -2.837  12.607
   48   1HG2  VAL   6          HG21      VAL   6 197.760  -1.159  12.512
   49   2HG2  VAL   6          HG22      VAL   6 197.900  -0.929  10.770
   50   3HG2  VAL   6          HG23      VAL   6 198.354  -2.471  11.494
   51    H    TYR   7           HN       TYR   7 196.302  -0.785   9.131
   52    HA   TYR   7           HA       TYR   7 193.787  -0.329   8.145
   53   1HB   TYR   7          HB2       TYR   7 195.815   1.246   8.108
   54   2HB   TYR   7          HB1       TYR   7 196.230   0.485   6.575
   55    HD1  TYR   7           HD1      TYR   7 195.363   1.352   4.604
   56    HD2  TYR   7           HD2      TYR   7 193.394   2.212   8.278
   57    HE1  TYR   7           HE1      TYR   7 193.845   2.887   3.426
   58    HE2  TYR   7           HE2      TYR   7 191.871   3.747   7.109
   59    HH   TYR   7           HH       TYR   7 192.399   4.748   3.864
   60    H    LYS   8           HN       LYS   8 196.491  -1.615   6.182
   61    HA   LYS   8           HA       LYS   8 195.007  -2.329   3.945
   62   1HB   LYS   8          HB2       LYS   8 196.978  -3.160   3.191
   63   2HB   LYS   8          HB1       LYS   8 197.643  -2.495   4.677
   64   1HG   LYS   8          HG2       LYS   8 198.471  -4.653   4.645
   65   2HG   LYS   8          HG1       LYS   8 197.066  -4.793   5.702
   66   1HD   LYS   8          HD2       LYS   8 195.881  -6.024   4.188
   67   2HD   LYS   8          HD1       LYS   8 196.650  -5.253   2.800
   68   1HE   LYS   8          HE2       LYS   8 197.701  -7.246   2.637
   69   2HE   LYS   8          HE1       LYS   8 198.770  -6.527   3.842
   70   1HZ   LYS   8          HZ1       LYS   8 196.388  -8.063   4.662
   71   2HZ   LYS   8          HZ2       LYS   8 197.795  -7.735   5.544
   72   3HZ   LYS   8          HZ3       LYS   8 197.834  -8.853   4.275
   73    H    GLU   9           HN       GLU   9 195.372  -3.845   7.035
   74    HA   GLU   9           HA       GLU   9 194.116  -6.314   6.318
   75   1HB   GLU   9          HB2       GLU   9 195.786  -5.424   8.361
   76   2HB   GLU   9          HB1       GLU   9 194.253  -5.751   9.154
   77   1HG   GLU   9          HG2       GLU   9 194.677  -7.906   9.140
   78   2HG   GLU   9          HG1       GLU   9 194.821  -7.888   7.384
   79    H    GLU  10           HN       GLU  10 193.160  -3.219   7.459
   80    HA   GLU  10           HA       GLU  10 190.729  -4.006   8.714
   81   1HB   GLU  10          HB2       GLU  10 192.042  -1.435   8.002
   82   2HB   GLU  10          HB1       GLU  10 190.309  -1.412   8.304
   83   1HG   GLU  10          HG2       GLU  10 191.533  -2.915  10.372
   84   2HG   GLU  10          HG1       GLU  10 192.441  -1.416  10.173
   85    H    HIS  11           HN       HIS  11 191.349  -2.219   5.653
   86    HA   HIS  11           HA       HIS  11 188.604  -2.477   4.886
   87   1HB   HIS  11          HB2       HIS  11 189.572  -1.780   2.562
   88   2HB   HIS  11          HB1       HIS  11 189.508  -0.621   3.882
   89    HD1  HIS  11           HD1      HIS  11 191.833  -2.365   1.616
   90    HD2  HIS  11           HD2      HIS  11 192.051  -0.005   5.026
   91    HE1  HIS  11           HE1      HIS  11 194.224  -1.602   1.751
   92    HE2  HIS  11           HE2      HIS  11 194.353  -0.252   3.874
   93    HA   PRO  12           HA       PRO  12 188.770  -6.876   3.901
   94   1HB   PRO  12          HB2       PRO  12 186.491  -6.206   2.195
   95   2HB   PRO  12          HB1       PRO  12 186.580  -7.308   3.568
   96   1HG   PRO  12          HG2       PRO  12 185.533  -4.648   3.499
   97   2HG   PRO  12          HG1       PRO  12 185.616  -5.754   4.875
   98   1HD   PRO  12          HD2       PRO  12 187.051  -3.387   4.597
   99   2HD   PRO  12          HD1       PRO  12 187.418  -4.693   5.735
  100    H    PHE  13           HN       PHE  13 188.519  -8.148   1.836
  101    HA   PHE  13           HA       PHE  13 190.387  -7.235  -0.067
  102   1HB   PHE  13          HB2       PHE  13 189.748  -9.659   0.558
  103   2HB   PHE  13          HB1       PHE  13 188.429  -9.456  -0.590
  104    HD1  PHE  13           HD1      PHE  13 189.002  -8.875  -2.986
  105    HD2  PHE  13           HD2      PHE  13 191.904 -10.195  -0.167
  106    HE1  PHE  13           HE1      PHE  13 190.508  -9.491  -4.829
  107    HE2  PHE  13           HE2      PHE  13 193.415 -10.813  -2.006
  108    HZ   PHE  13           HZ       PHE  13 192.718 -10.461  -4.341
  109    H    GLU  14           HN       GLU  14 186.861  -7.666  -0.230
  110    HA   GLU  14           HA       GLU  14 186.460  -6.823  -2.845
  111   1HB   GLU  14          HB2       GLU  14 184.849  -7.447  -0.618
  112   2HB   GLU  14          HB1       GLU  14 184.337  -5.854  -1.157
  113   1HG   GLU  14          HG2       GLU  14 183.561  -6.622  -3.157
  114   2HG   GLU  14          HG1       GLU  14 184.688  -7.978  -3.200
  115    H    LYS  15           HN       LYS  15 187.374  -5.011  -0.074
  116    HA   LYS  15           HA       LYS  15 186.552  -2.459  -1.156
  117   1HB   LYS  15          HB2       LYS  15 188.354  -2.918   1.217
  118   2HB   LYS  15          HB1       LYS  15 187.344  -1.519   0.873
  119   1HG   LYS  15          HG2       LYS  15 186.106  -4.203   1.260
  120   2HG   LYS  15          HG1       LYS  15 186.592  -3.229   2.645
  121   1HD   LYS  15          HD2       LYS  15 184.851  -1.861   2.415
  122   2HD   LYS  15          HD1       LYS  15 185.130  -1.681   0.682
  123   1HE   LYS  15          HE2       LYS  15 183.865  -3.597   0.174
  124   2HE   LYS  15          HE1       LYS  15 183.869  -4.142   1.851
  125   1HZ   LYS  15          HZ1       LYS  15 181.815  -3.236   1.790
  126   2HZ   LYS  15          HZ2       LYS  15 182.189  -2.148   0.550
  127   3HZ   LYS  15          HZ3       LYS  15 182.661  -1.812   2.138
  128    H    ARG  16           HN       ARG  16 189.595  -4.197  -0.573
  129    HA   ARG  16           HA       ARG  16 191.212  -2.114  -1.692
  130   1HB   ARG  16          HB2       ARG  16 192.472  -4.725  -1.821
  131   2HB   ARG  16          HB1       ARG  16 192.947  -3.301  -0.911
  132   1HG   ARG  16          HG2       ARG  16 191.217  -3.969   0.800
  133   2HG   ARG  16          HG1       ARG  16 191.083  -5.496  -0.068
  134   1HD   ARG  16          HD2       ARG  16 193.498  -5.860   0.252
  135   2HD   ARG  16          HD1       ARG  16 193.582  -4.365   1.181
  136    HE   ARG  16           HE       ARG  16 191.692  -5.764   2.491
  137   1HH1  ARG  16          HH11      ARG  16 194.916  -6.585   1.431
  138   2HH1  ARG  16          HH12      ARG  16 195.189  -7.706   2.722
  139   1HH2  ARG  16          HH21      ARG  16 192.051  -7.237   4.190
  140   2HH2  ARG  16          HH22      ARG  16 193.564  -8.077   4.288
  141    H    ARG  17           HN       ARG  17 189.868  -5.164  -2.846
  142    HA   ARG  17           HA       ARG  17 191.045  -5.154  -5.406
  143   1HB   ARG  17          HB2       ARG  17 189.726  -7.026  -4.182
  144   2HB   ARG  17          HB1       ARG  17 188.304  -6.260  -4.876
  145   1HG   ARG  17          HG2       ARG  17 189.498  -6.478  -7.120
  146   2HG   ARG  17          HG1       ARG  17 190.590  -7.587  -6.287
  147   1HD   ARG  17          HD2       ARG  17 189.085  -9.231  -6.301
  148   2HD   ARG  17          HD1       ARG  17 187.800  -8.162  -5.742
  149    HE   ARG  17           HE       ARG  17 188.482  -7.819  -8.516
  150   1HH1  ARG  17          HH11      ARG  17 186.520  -9.599  -6.242
  151   2HH1  ARG  17          HH12      ARG  17 185.317 -10.014  -7.416
  152   1HH2  ARG  17          HH21      ARG  17 186.900  -8.365 -10.060
  153   2HH2  ARG  17          HH22      ARG  17 185.532  -9.315  -9.583
  154    H    SER  18           HN       SER  18 187.912  -3.985  -4.226
  155    HA   SER  18           HA       SER  18 186.843  -3.040  -6.575
  156   1HB   SER  18          HB2       SER  18 185.389  -3.053  -4.732
  157   2HB   SER  18          HB1       SER  18 186.535  -2.190  -3.705
  158    HG   SER  18           HG       SER  18 186.075  -0.315  -4.776
  159    H    GLU  19           HN       GLU  19 188.612  -1.140  -4.140
  160    HA   GLU  19           HA       GLU  19 188.811   1.222  -5.603
  161   1HB   GLU  19          HB2       GLU  19 189.822   0.173  -3.151
  162   2HB   GLU  19          HB1       GLU  19 191.141   0.953  -4.010
  163   1HG   GLU  19          HG2       GLU  19 190.231   3.017  -3.826
  164   2HG   GLU  19          HG1       GLU  19 188.576   2.410  -3.841
  165    H    GLY  20           HN       GLY  20 191.096  -1.482  -5.334
  166   1HA   GLY  20          HA2       GLY  20 193.115  -0.411  -6.952
  167   2HA   GLY  20          HA1       GLY  20 192.852  -2.123  -6.660
  168    H    GLU  21           HN       GLU  21 190.671  -2.842  -7.881
  169    HA   GLU  21           HA       GLU  21 191.269  -3.032 -10.542
  170   1HB   GLU  21          HB2       GLU  21 189.718  -4.557  -9.721
  171   2HB   GLU  21          HB1       GLU  21 188.702  -3.304  -9.023
  172   1HG   GLU  21          HG2       GLU  21 187.601  -2.935 -10.944
  173   2HG   GLU  21          HG1       GLU  21 189.023  -3.232 -11.943
  174    H    LYS  22           HN       LYS  22 189.755  -0.374  -8.902
  175    HA   LYS  22           HA       LYS  22 188.862   0.807 -11.410
  176   1HB   LYS  22          HB2       LYS  22 187.261   1.187  -9.776
  177   2HB   LYS  22          HB1       LYS  22 188.454   1.447  -8.514
  178   1HG   LYS  22          HG2       LYS  22 188.299   3.403 -10.750
  179   2HG   LYS  22          HG1       LYS  22 187.048   3.431  -9.505
  180   1HD   LYS  22          HD2       LYS  22 189.329   3.255  -8.010
  181   2HD   LYS  22          HD1       LYS  22 189.862   4.242  -9.371
  182   1HE   LYS  22          HE2       LYS  22 188.069   5.816  -8.980
  183   2HE   LYS  22          HE1       LYS  22 187.416   4.798  -7.697
  184   1HZ   LYS  22          HZ1       LYS  22 188.627   6.463  -6.618
  185   2HZ   LYS  22          HZ2       LYS  22 189.930   6.357  -7.692
  186   3HZ   LYS  22          HZ3       LYS  22 189.649   5.115  -6.579
  187    H    ILE  23           HN       ILE  23 191.075   1.527  -8.740
  188    HA   ILE  23           HA       ILE  23 192.156   3.898  -9.775
  189    HB   ILE  23           HB       ILE  23 193.194   1.821  -7.864
  190   1HG1  ILE  23          HG12      ILE  23 192.719   4.686  -7.198
  191   2HG1  ILE  23          HG11      ILE  23 191.322   3.650  -7.470
  192   1HG2  ILE  23          HG21      ILE  23 194.610   4.429  -8.192
  193   2HG2  ILE  23          HG22      ILE  23 195.057   3.051  -9.196
  194   3HG2  ILE  23          HG23      ILE  23 195.171   2.940  -7.442
  195   1HD1  ILE  23          HD11      ILE  23 191.506   2.785  -5.448
  196   2HD1  ILE  23          HD12      ILE  23 192.776   3.964  -5.118
  197   3HD1  ILE  23          HD13      ILE  23 193.196   2.362  -5.723
  198    H    ARG  24           HN       ARG  24 192.689   0.567 -10.566
  199    HA   ARG  24           HA       ARG  24 195.170   1.002 -11.965
  200   1HB   ARG  24          HB2       ARG  24 193.284  -1.361 -11.900
  201   2HB   ARG  24          HB1       ARG  24 194.862  -1.359 -12.680
  202   1HG   ARG  24          HG2       ARG  24 194.418  -0.866  -9.744
  203   2HG   ARG  24          HG1       ARG  24 194.840  -2.429 -10.444
  204   1HD   ARG  24          HD2       ARG  24 196.498   0.054 -10.816
  205   2HD   ARG  24          HD1       ARG  24 196.751  -1.086  -9.494
  206    HE   ARG  24           HE       ARG  24 196.841  -2.685 -11.649
  207   1HH1  ARG  24          HH11      ARG  24 198.445   0.328 -10.916
  208   2HH1  ARG  24          HH12      ARG  24 199.842  -0.040 -11.869
  209   1HH2  ARG  24          HH21      ARG  24 198.680  -3.170 -12.902
  210   2HH2  ARG  24          HH22      ARG  24 199.976  -2.025 -12.997
  211    H    LYS  25           HN       LYS  25 191.771   0.539 -12.776
  212    HA   LYS  25           HA       LYS  25 192.181   0.591 -15.608
  213   1HB   LYS  25          HB2       LYS  25 189.708   0.879 -13.911
  214   2HB   LYS  25          HB1       LYS  25 189.701   0.702 -15.665
  215   1HG   LYS  25          HG2       LYS  25 190.653  -1.494 -15.500
  216   2HG   LYS  25          HG1       LYS  25 190.875  -1.310 -13.758
  217   1HD   LYS  25          HD2       LYS  25 188.910  -2.677 -14.260
  218   2HD   LYS  25          HD1       LYS  25 188.446  -1.169 -13.470
  219   1HE   LYS  25          HE2       LYS  25 187.440  -0.338 -15.338
  220   2HE   LYS  25          HE1       LYS  25 188.526  -1.193 -16.433
  221   1HZ   LYS  25          HZ1       LYS  25 186.738  -2.486 -16.755
  222   2HZ   LYS  25          HZ2       LYS  25 185.999  -2.039 -15.302
  223   3HZ   LYS  25          HZ3       LYS  25 187.204  -3.225 -15.306
  224    H    LYS  26           HN       LYS  26 191.109   2.900 -13.169
  225    HA   LYS  26           HA       LYS  26 190.548   4.966 -15.051
  226   1HB   LYS  26          HB2       LYS  26 189.731   4.532 -12.548
  227   2HB   LYS  26          HB1       LYS  26 191.052   5.644 -12.219
  228   1HG   LYS  26          HG2       LYS  26 190.062   7.354 -13.501
  229   2HG   LYS  26          HG1       LYS  26 188.899   6.236 -14.221
  230   1HD   LYS  26          HD2       LYS  26 187.554   6.241 -12.390
  231   2HD   LYS  26          HD1       LYS  26 188.897   6.475 -11.270
  232   1HE   LYS  26          HE2       LYS  26 188.686   8.706 -11.310
  233   2HE   LYS  26          HE1       LYS  26 188.460   8.743 -13.058
  234   1HZ   LYS  26          HZ1       LYS  26 186.433   9.458 -12.307
  235   2HZ   LYS  26          HZ2       LYS  26 186.451   8.474 -10.931
  236   3HZ   LYS  26          HZ3       LYS  26 186.134   7.798 -12.448
  237    H    TYR  27           HN       TYR  27 193.213   4.087 -12.963
  238    HA   TYR  27           HA       TYR  27 194.821   6.225 -14.207
  239   1HB   TYR  27          HB2       TYR  27 195.594   5.083 -11.557
  240   2HB   TYR  27          HB1       TYR  27 195.903   6.685 -12.216
  241    HD1  TYR  27           HD1      TYR  27 194.655   5.584  -9.481
  242    HD2  TYR  27           HD2      TYR  27 193.090   7.438 -12.972
  243    HE1  TYR  27           HE1      TYR  27 192.773   6.458  -8.161
  244    HE2  TYR  27           HE2      TYR  27 191.204   8.321 -11.665
  245    HH   TYR  27           HH       TYR  27 190.744   8.882  -9.242
  246    HA   PRO  28           HA       PRO  28 196.678   2.236 -15.529
  247   1HB   PRO  28          HB2       PRO  28 197.532   3.117 -17.914
  248   2HB   PRO  28          HB1       PRO  28 195.869   2.583 -17.632
  249   1HG   PRO  28          HG2       PRO  28 196.990   5.347 -17.595
  250   2HG   PRO  28          HG1       PRO  28 195.551   4.752 -18.436
  251   1HD   PRO  28          HD2       PRO  28 195.359   6.052 -16.108
  252   2HD   PRO  28          HD1       PRO  28 194.299   4.675 -16.479
  253    H    ASP  29           HN       ASP  29 197.893   5.306 -14.784
  254    HA   ASP  29           HA       ASP  29 200.663   4.338 -15.047
  255   1HB   ASP  29          HB2       ASP  29 199.544   7.134 -15.212
  256   2HB   ASP  29          HB1       ASP  29 201.262   6.811 -14.992
  257    H    ARG  30           HN       ARG  30 198.495   4.281 -12.806
  258    HA   ARG  30           HA       ARG  30 200.314   5.220 -10.689
  259   1HB   ARG  30          HB2       ARG  30 197.340   5.554 -10.932
  260   2HB   ARG  30          HB1       ARG  30 198.104   5.517  -9.349
  261   1HG   ARG  30          HG2       ARG  30 199.516   7.326 -11.063
  262   2HG   ARG  30          HG1       ARG  30 197.794   7.707 -11.069
  263   1HD   ARG  30          HD2       ARG  30 197.745   8.002  -8.737
  264   2HD   ARG  30          HD1       ARG  30 199.323   7.245  -8.527
  265    HE   ARG  30           HE       ARG  30 200.012   9.327  -9.987
  266   1HH1  ARG  30          HH11      ARG  30 197.793   9.195  -7.294
  267   2HH1  ARG  30          HH12      ARG  30 198.104  10.823  -6.798
  268   1HH2  ARG  30          HH21      ARG  30 200.420  11.467  -9.333
  269   2HH2  ARG  30          HH22      ARG  30 199.594  12.113  -7.954
  270    H    VAL  31           HN       VAL  31 200.126   4.066  -8.654
  271    HA   VAL  31           HA       VAL  31 198.909   1.406  -8.882
  272    HB   VAL  31           HB       VAL  31 200.853   0.332  -7.909
  273   1HG1  VAL  31          HG11      VAL  31 201.870   0.059  -9.889
  274   2HG1  VAL  31          HG12      VAL  31 202.222   1.779 -10.060
  275   3HG1  VAL  31          HG13      VAL  31 200.626   1.159 -10.484
  276   1HG2  VAL  31          HG21      VAL  31 201.675   3.065  -7.380
  277   2HG2  VAL  31          HG22      VAL  31 202.950   2.132  -8.160
  278   3HG2  VAL  31          HG23      VAL  31 202.233   1.555  -6.655
  279    HA   PRO  32           HA       PRO  32 197.413   2.816  -4.879
  280   1HB   PRO  32          HB2       PRO  32 195.990   0.564  -4.294
  281   2HB   PRO  32          HB1       PRO  32 195.386   1.848  -5.346
  282   1HG   PRO  32          HG2       PRO  32 196.620  -0.775  -6.073
  283   2HG   PRO  32          HG1       PRO  32 195.239   0.056  -6.810
  284   1HD   PRO  32          HD2       PRO  32 197.712   0.082  -7.915
  285   2HD   PRO  32          HD1       PRO  32 196.584   1.445  -8.068
  286    H    VAL  33           HN       VAL  33 199.077   2.827  -3.474
  287    HA   VAL  33           HA       VAL  33 200.247   0.265  -2.680
  288    HB   VAL  33           HB       VAL  33 201.325   3.054  -2.308
  289   1HG1  VAL  33          HG11      VAL  33 203.424   1.351  -1.937
  290   2HG1  VAL  33          HG12      VAL  33 202.104   0.470  -1.168
  291   3HG1  VAL  33          HG13      VAL  33 202.493   2.108  -0.643
  292   1HG2  VAL  33          HG21      VAL  33 202.160   0.833  -4.178
  293   2HG2  VAL  33          HG22      VAL  33 202.988   2.380  -3.981
  294   3HG2  VAL  33          HG23      VAL  33 201.349   2.337  -4.630
  295    H    ILE  34           HN       ILE  34 200.433  -0.358  -0.562
  296    HA   ILE  34           HA       ILE  34 198.942   1.238   1.408
  297    HB   ILE  34           HB       ILE  34 199.144  -1.781   1.420
  298   1HG1  ILE  34          HG12      ILE  34 197.799  -1.098  -0.482
  299   2HG1  ILE  34          HG11      ILE  34 196.734  -1.707   0.782
  300   1HG2  ILE  34          HG21      ILE  34 198.038   0.264   3.238
  301   2HG2  ILE  34          HG22      ILE  34 198.680  -1.341   3.585
  302   3HG2  ILE  34          HG23      ILE  34 197.037  -1.161   2.967
  303   1HD1  ILE  34          HD11      ILE  34 197.244   1.200   0.762
  304   2HD1  ILE  34          HD12      ILE  34 195.767   0.306   1.119
  305   3HD1  ILE  34          HD13      ILE  34 196.270   0.548  -0.555
  306    H    VAL  35           HN       VAL  35 201.141   2.163   1.644
  307    HA   VAL  35           HA       VAL  35 203.325   0.759   2.663
  308    HB   VAL  35           HB       VAL  35 202.558   3.611   3.300
  309   1HG1  VAL  35          HG11      VAL  35 205.040   2.001   3.663
  310   2HG1  VAL  35          HG12      VAL  35 204.295   3.189   4.737
  311   3HG1  VAL  35          HG13      VAL  35 205.173   3.723   3.302
  312   1HG2  VAL  35          HG21      VAL  35 204.092   2.441   0.987
  313   2HG2  VAL  35          HG22      VAL  35 204.066   4.157   1.388
  314   3HG2  VAL  35          HG23      VAL  35 202.576   3.339   0.923
  315    H    GLU  36           HN       GLU  36 204.160   0.636   4.834
  316    HA   GLU  36           HA       GLU  36 202.257   1.023   7.016
  317   1HB   GLU  36          HB2       GLU  36 202.562  -1.462   5.783
  318   2HB   GLU  36          HB1       GLU  36 203.523  -1.582   7.249
  319   1HG   GLU  36          HG2       GLU  36 201.161  -0.362   8.055
  320   2HG   GLU  36          HG1       GLU  36 200.659  -1.600   6.908
  321    H    LYS  37           HN       LYS  37 203.267   0.812   9.147
  322    HA   LYS  37           HA       LYS  37 206.125   1.452   9.008
  323   1HB   LYS  37          HB2       LYS  37 204.348   2.975  10.158
  324   2HB   LYS  37          HB1       LYS  37 204.424   1.801  11.464
  325   1HG   LYS  37          HG2       LYS  37 207.087   2.490  10.779
  326   2HG   LYS  37          HG1       LYS  37 206.159   3.983  10.930
  327   1HD   LYS  37          HD2       LYS  37 207.051   3.465  13.085
  328   2HD   LYS  37          HD1       LYS  37 205.318   3.137  13.132
  329   1HE   LYS  37          HE2       LYS  37 205.612   0.854  13.172
  330   2HE   LYS  37          HE1       LYS  37 207.206   0.949  12.426
  331   1HZ   LYS  37          HZ1       LYS  37 207.824   2.144  14.622
  332   2HZ   LYS  37          HZ2       LYS  37 207.714   0.456  14.597
  333   3HZ   LYS  37          HZ3       LYS  37 206.445   1.376  15.234
  334    H    ALA  38           HN       ALA  38 206.990  -0.568   8.893
  335    HA   ALA  38           HA       ALA  38 206.458  -2.936   9.968
  336   1HB   ALA  38          HB1       ALA  38 208.479  -2.335   8.651
  337   2HB   ALA  38          HB2       ALA  38 208.785  -3.448   9.985
  338   3HB   ALA  38          HB3       ALA  38 209.212  -1.741  10.148
  339    HA   PRO  39           HA       PRO  39 206.206  -2.910  14.364
  340   1HB   PRO  39          HB2       PRO  39 207.326  -5.381  14.851
  341   2HB   PRO  39          HB1       PRO  39 205.644  -5.121  14.367
  342   1HG   PRO  39          HG2       PRO  39 208.006  -5.867  12.706
  343   2HG   PRO  39          HG1       PRO  39 206.349  -6.487  12.633
  344   1HD   PRO  39          HD2       PRO  39 207.254  -4.707  10.865
  345   2HD   PRO  39          HD1       PRO  39 205.584  -4.636  11.470
  346    H    LYS  40           HN       LYS  40 207.480  -2.479  16.127
  347    HA   LYS  40           HA       LYS  40 209.309  -1.952  17.353
  348   1HB   LYS  40          HB2       LYS  40 210.602  -3.936  15.489
  349   2HB   LYS  40          HB1       LYS  40 211.452  -3.177  16.829
  350   1HG   LYS  40          HG2       LYS  40 210.759  -5.225  17.682
  351   2HG   LYS  40          HG1       LYS  40 209.567  -4.078  18.298
  352   1HD   LYS  40          HD2       LYS  40 207.980  -4.735  16.619
  353   2HD   LYS  40          HD1       LYS  40 209.179  -5.754  15.818
  354   1HE   LYS  40          HE2       LYS  40 209.315  -7.072  17.962
  355   2HE   LYS  40          HE1       LYS  40 207.913  -6.161  18.519
  356   1HZ   LYS  40          HZ1       LYS  40 208.088  -8.116  16.316
  357   2HZ   LYS  40          HZ2       LYS  40 206.849  -6.965  16.347
  358   3HZ   LYS  40          HZ3       LYS  40 207.005  -8.073  17.615
  359    H    ALA  41           HN       ALA  41 209.080  -1.081  14.101
  360    HA   ALA  41           HA       ALA  41 211.489   0.071  13.470
  361   1HB   ALA  41          HB1       ALA  41 208.935   1.500  12.848
  362   2HB   ALA  41          HB2       ALA  41 209.311  -0.049  12.081
  363   3HB   ALA  41          HB3       ALA  41 210.388   1.333  11.866
  364    H    ARG  42           HN       ARG  42 212.510   1.926  14.010
  365    HA   ARG  42           HA       ARG  42 211.619   3.258  16.433
  366   1HB   ARG  42          HB2       ARG  42 214.195   3.813  14.976
  367   2HB   ARG  42          HB1       ARG  42 213.830   4.067  16.676
  368   1HG   ARG  42          HG2       ARG  42 214.049   1.819  17.193
  369   2HG   ARG  42          HG1       ARG  42 213.811   1.310  15.522
  370   1HD   ARG  42          HD2       ARG  42 216.014   1.244  15.260
  371   2HD   ARG  42          HD1       ARG  42 216.077   2.984  15.540
  372    HE   ARG  42           HE       ARG  42 216.872   2.589  17.655
  373   1HH1  ARG  42          HH11      ARG  42 215.645  -0.393  16.320
  374   2HH1  ARG  42          HH12      ARG  42 216.280  -1.372  17.599
  375   1HH2  ARG  42          HH21      ARG  42 217.708   1.302  19.338
  376   2HH2  ARG  42          HH22      ARG  42 217.451  -0.411  19.313
  377    H    ILE  43           HN       ILE  43 210.162   3.722  14.118
  378    HA   ILE  43           HA       ILE  43 210.628   6.598  13.686
  379    HB   ILE  43           HB       ILE  43 209.393   6.058  11.452
  380   1HG1  ILE  43          HG12      ILE  43 210.706   3.415  12.094
  381   2HG1  ILE  43          HG11      ILE  43 208.970   3.701  12.013
  382   1HG2  ILE  43          HG21      ILE  43 212.279   5.697  12.116
  383   2HG2  ILE  43          HG22      ILE  43 211.486   7.009  11.243
  384   3HG2  ILE  43          HG23      ILE  43 211.717   5.443  10.464
  385   1HD1  ILE  43          HD11      ILE  43 210.908   3.273   9.881
  386   2HD1  ILE  43          HD12      ILE  43 209.779   4.596   9.592
  387   3HD1  ILE  43          HD13      ILE  43 209.170   2.972   9.927
  388    H    GLY  44           HN       GLY  44 208.619   7.685  12.850
  389   1HA   GLY  44          HA2       GLY  44 206.510   7.321  14.713
  390   2HA   GLY  44          HA1       GLY  44 206.487   8.401  13.327
  391    H    ASP  45           HN       ASP  45 204.463   6.493  14.495
  392    HA   ASP  45           HA       ASP  45 204.131   4.467  12.469
  393   1HB   ASP  45          HB2       ASP  45 202.192   5.339  14.619
  394   2HB   ASP  45          HB1       ASP  45 202.120   3.850  13.681
  395    H    LEU  46           HN       LEU  46 202.990   4.583  10.667
  396    HA   LEU  46           HA       LEU  46 201.680   7.095  10.013
  397   1HB   LEU  46          HB2       LEU  46 203.085   5.051   8.564
  398   2HB   LEU  46          HB1       LEU  46 201.501   5.296   7.850
  399    HG   LEU  46           HG       LEU  46 203.142   7.702   8.448
  400   1HD1  LEU  46          HD11      LEU  46 204.095   7.397   6.081
  401   2HD1  LEU  46          HD12      LEU  46 203.739   5.686   6.315
  402   3HD1  LEU  46          HD13      LEU  46 204.850   6.513   7.408
  403   1HD2  LEU  46          HD21      LEU  46 200.964   8.093   7.600
  404   2HD2  LEU  46          HD22      LEU  46 201.164   6.877   6.337
  405   3HD2  LEU  46          HD23      LEU  46 202.081   8.381   6.268
  406    H    ASP  47           HN       ASP  47 199.544   7.327   9.542
  407    HA   ASP  47           HA       ASP  47 197.816   5.025  10.156
  408   1HB   ASP  47          HB2       ASP  47 196.058   6.752  10.608
  409   2HB   ASP  47          HB1       ASP  47 197.444   6.843  11.692
  410    H    LYS  48           HN       LYS  48 198.882   7.036   7.657
  411    HA   LYS  48           HA       LYS  48 196.566   7.144   6.031
  412   1HB   LYS  48          HB2       LYS  48 198.632   8.579   5.818
  413   2HB   LYS  48          HB1       LYS  48 199.443   7.189   5.113
  414   1HG   LYS  48          HG2       LYS  48 197.858   7.169   3.275
  415   2HG   LYS  48          HG1       LYS  48 196.989   8.526   3.994
  416   1HD   LYS  48          HD2       LYS  48 198.857   9.983   3.684
  417   2HD   LYS  48          HD1       LYS  48 199.898   8.639   3.211
  418   1HE   LYS  48          HE2       LYS  48 199.011  10.106   1.339
  419   2HE   LYS  48          HE1       LYS  48 198.788   8.367   1.154
  420   1HZ   LYS  48          HZ1       LYS  48 196.557   8.538   1.372
  421   2HZ   LYS  48          HZ2       LYS  48 196.837  10.099   0.784
  422   3HZ   LYS  48          HZ3       LYS  48 196.631   9.845   2.444
  423    H    LYS  49           HN       LYS  49 199.515   5.187   5.635
  424    HA   LYS  49           HA       LYS  49 199.878   3.102   4.842
  425   1HB   LYS  49          HB2       LYS  49 197.019   2.899   5.648
  426   2HB   LYS  49          HB1       LYS  49 197.663   1.637   4.603
  427   1HG   LYS  49          HG2       LYS  49 199.473   2.175   6.774
  428   2HG   LYS  49          HG1       LYS  49 197.857   1.808   7.380
  429   1HD   LYS  49          HD2       LYS  49 198.176  -0.081   5.429
  430   2HD   LYS  49          HD1       LYS  49 199.816   0.073   6.060
  431   1HE   LYS  49          HE2       LYS  49 197.317  -0.749   7.490
  432   2HE   LYS  49          HE1       LYS  49 198.852  -1.598   7.370
  433   1HZ   LYS  49          HZ1       LYS  49 199.267  -0.744   9.368
  434   2HZ   LYS  49          HZ2       LYS  49 198.011   0.385   9.263
  435   3HZ   LYS  49          HZ3       LYS  49 199.521   0.734   8.585
  436    H    LYS  50           HN       LYS  50 196.814   4.291   3.423
  437    HA   LYS  50           HA       LYS  50 197.345   3.109   0.892
  438   1HB   LYS  50          HB2       LYS  50 195.063   3.582   1.668
  439   2HB   LYS  50          HB1       LYS  50 195.406   5.305   1.631
  440   1HG   LYS  50          HG2       LYS  50 194.465   5.211  -0.396
  441   2HG   LYS  50          HG1       LYS  50 196.046   4.610  -0.904
  442   1HD   LYS  50          HD2       LYS  50 194.594   3.037  -1.798
  443   2HD   LYS  50          HD1       LYS  50 195.088   2.284  -0.280
  444   1HE   LYS  50          HE2       LYS  50 192.676   2.091  -0.635
  445   2HE   LYS  50          HE1       LYS  50 193.044   3.064   0.789
  446   1HZ   LYS  50          HZ1       LYS  50 191.274   3.889  -0.859
  447   2HZ   LYS  50          HZ2       LYS  50 192.585   4.358  -1.819
  448   3HZ   LYS  50          HZ3       LYS  50 192.403   5.000  -0.265
  449    H    TYR  51           HN       TYR  51 198.219   3.932  -0.931
  450    HA   TYR  51           HA       TYR  51 198.913   6.751  -1.094
  451   1HB   TYR  51          HB2       TYR  51 200.952   4.531  -1.047
  452   2HB   TYR  51          HB1       TYR  51 201.287   6.099  -1.772
  453    HD1  TYR  51           HD1      TYR  51 201.522   8.084  -0.387
  454    HD2  TYR  51           HD2      TYR  51 200.755   4.278   1.341
  455    HE1  TYR  51           HE1      TYR  51 202.154   8.965   1.818
  456    HE2  TYR  51           HE2      TYR  51 201.383   5.144   3.553
  457    HH   TYR  51           HH       TYR  51 201.407   8.037   4.455
  458    H    LEU  52           HN       LEU  52 198.456   7.434  -3.078
  459    HA   LEU  52           HA       LEU  52 198.233   5.445  -5.221
  460   1HB   LEU  52          HB2       LEU  52 196.454   7.311  -4.519
  461   2HB   LEU  52          HB1       LEU  52 197.408   8.276  -5.628
  462    HG   LEU  52           HG       LEU  52 196.953   6.723  -7.443
  463   1HD1  LEU  52          HD11      LEU  52 194.914   5.094  -6.352
  464   2HD1  LEU  52          HD12      LEU  52 196.324   4.945  -5.305
  465   3HD1  LEU  52          HD13      LEU  52 196.466   4.601  -7.029
  466   1HD2  LEU  52          HD21      LEU  52 194.894   7.544  -7.881
  467   2HD2  LEU  52          HD22      LEU  52 195.212   8.500  -6.433
  468   3HD2  LEU  52          HD23      LEU  52 194.237   7.034  -6.325
  469    H    VAL  53           HN       VAL  53 200.605   5.381  -5.231
  470    HA   VAL  53           HA       VAL  53 201.941   7.690  -6.389
  471    HB   VAL  53           HB       VAL  53 203.934   5.978  -6.343
  472   1HG1  VAL  53          HG11      VAL  53 203.314   8.068  -4.869
  473   2HG1  VAL  53          HG12      VAL  53 204.626   6.987  -4.407
  474   3HG1  VAL  53          HG13      VAL  53 203.049   6.839  -3.632
  475   1HG2  VAL  53          HG21      VAL  53 202.376   4.824  -4.067
  476   2HG2  VAL  53          HG22      VAL  53 203.792   4.180  -4.897
  477   3HG2  VAL  53          HG23      VAL  53 202.215   4.144  -5.687
  478    HA   PRO  54           HA       PRO  54 201.857   6.464 -10.615
  479   1HB   PRO  54          HB2       PRO  54 204.766   7.019 -10.730
  480   2HB   PRO  54          HB1       PRO  54 203.447   7.727 -11.667
  481   1HG   PRO  54          HG2       PRO  54 204.667   9.116  -9.740
  482   2HG   PRO  54          HG1       PRO  54 202.922   9.263 -10.017
  483   1HD   PRO  54          HD2       PRO  54 204.385   7.752  -7.890
  484   2HD   PRO  54          HD1       PRO  54 202.882   8.692  -7.776
  485    H    SER  55           HN       SER  55 203.582   5.293 -12.207
  486    HA   SER  55           HA       SER  55 204.212   2.746 -10.875
  487   1HB   SER  55          HB2       SER  55 202.793   1.958 -12.451
  488   2HB   SER  55          HB1       SER  55 202.950   3.398 -13.455
  489    HG   SER  55           HG       SER  55 203.885   1.171 -14.111
  490    H    ASP  56           HN       ASP  56 205.568   5.445 -12.417
  491    HA   ASP  56           HA       ASP  56 208.016   3.994 -13.114
  492   1HB   ASP  56          HB2       ASP  56 206.845   6.628 -13.914
  493   2HB   ASP  56          HB1       ASP  56 208.596   6.443 -13.948
  494    H    LEU  57           HN       LEU  57 206.622   5.636 -10.581
  495    HA   LEU  57           HA       LEU  57 208.677   7.232  -9.595
  496   1HB   LEU  57          HB2       LEU  57 206.343   7.211  -8.749
  497   2HB   LEU  57          HB1       LEU  57 206.670   5.666  -7.984
  498    HG   LEU  57           HG       LEU  57 208.645   7.030  -6.871
  499   1HD1  LEU  57          HD11      LEU  57 208.001   9.061  -8.229
  500   2HD1  LEU  57          HD12      LEU  57 208.196   9.306  -6.494
  501   3HD1  LEU  57          HD13      LEU  57 206.581   9.184  -7.191
  502   1HD2  LEU  57          HD21      LEU  57 206.914   5.882  -5.637
  503   2HD2  LEU  57          HD22      LEU  57 205.762   7.164  -6.006
  504   3HD2  LEU  57          HD23      LEU  57 207.150   7.497  -4.969
  505    H    THR  58           HN       THR  58 210.688   6.607  -9.199
  506    HA   THR  58           HA       THR  58 211.415   3.900  -8.710
  507    HB   THR  58           HB       THR  58 213.619   5.272  -7.946
  508    HG1  THR  58           HG1      THR  58 212.443   6.961  -9.877
  509   1HG2  THR  58          HG21      THR  58 212.709   4.020 -10.329
  510   2HG2  THR  58          HG22      THR  58 214.360   4.233  -9.743
  511   3HG2  THR  58          HG23      THR  58 213.615   5.473 -10.752
  512    H    VAL  59           HN       VAL  59 212.076   2.892  -6.868
  513    HA   VAL  59           HA       VAL  59 210.762   3.307  -4.518
  514    HB   VAL  59           HB       VAL  59 213.383   1.979  -5.111
  515   1HG1  VAL  59          HG11      VAL  59 212.058   2.168  -2.404
  516   2HG1  VAL  59          HG12      VAL  59 213.667   2.743  -2.844
  517   3HG1  VAL  59          HG13      VAL  59 213.327   1.014  -2.817
  518   1HG2  VAL  59          HG21      VAL  59 212.196  -0.012  -4.986
  519   2HG2  VAL  59          HG22      VAL  59 211.052   1.091  -5.750
  520   3HG2  VAL  59          HG23      VAL  59 210.897   0.707  -4.035
  521    H    GLY  60           HN       GLY  60 213.816   4.749  -5.540
  522   1HA   GLY  60          HA2       GLY  60 214.575   5.896  -3.084
  523   2HA   GLY  60          HA1       GLY  60 215.036   6.498  -4.672
  524    H    GLN  61           HN       GLN  61 212.354   6.940  -5.580
  525    HA   GLN  61           HA       GLN  61 211.918   9.562  -4.523
  526   1HB   GLN  61          HB2       GLN  61 210.316   7.904  -6.464
  527   2HB   GLN  61          HB1       GLN  61 210.017   9.601  -6.101
  528   1HG   GLN  61          HG2       GLN  61 212.312  10.107  -6.852
  529   2HG   GLN  61          HG1       GLN  61 212.473   8.426  -7.357
  530   1HE2  GLN  61          HE21      GLN  61 209.834   8.094  -8.323
  531   2HE2  GLN  61          HE22      GLN  61 209.679   9.000  -9.785
  532    H    PHE  62           HN       PHE  62 210.108   6.513  -4.502
  533    HA   PHE  62           HA       PHE  62 207.870   7.280  -3.074
  534   1HB   PHE  62          HB2       PHE  62 208.418   5.012  -4.136
  535   2HB   PHE  62          HB1       PHE  62 209.245   4.636  -2.629
  536    HD1  PHE  62           HD1      PHE  62 206.109   6.543  -3.101
  537    HD2  PHE  62           HD2      PHE  62 207.921   2.958  -1.709
  538    HE1  PHE  62           HE1      PHE  62 203.963   5.848  -2.122
  539    HE2  PHE  62           HE2      PHE  62 205.777   2.252  -0.726
  540    HZ   PHE  62           HZ       PHE  62 203.797   3.701  -0.935
  541    H    TYR  63           HN       TYR  63 211.037   6.290  -1.864
  542    HA   TYR  63           HA       TYR  63 210.524   6.179   0.861
  543   1HB   TYR  63          HB2       TYR  63 212.914   6.779  -0.811
  544   2HB   TYR  63          HB1       TYR  63 213.008   7.183   0.898
  545    HD1  TYR  63           HD1      TYR  63 213.638   4.731  -1.465
  546    HD2  TYR  63           HD2      TYR  63 212.196   5.208   2.500
  547    HE1  TYR  63           HE1      TYR  63 214.250   2.400  -0.972
  548    HE2  TYR  63           HE2      TYR  63 212.799   2.884   3.011
  549    HH   TYR  63           HH       TYR  63 213.635   0.629   0.603
  550    H    PHE  64           HN       PHE  64 212.100   8.851  -0.779
  551    HA   PHE  64           HA       PHE  64 212.096  10.801   1.066
  552   1HB   PHE  64          HB2       PHE  64 213.122  11.282  -0.974
  553   2HB   PHE  64          HB1       PHE  64 211.693  10.850  -1.902
  554    HD1  PHE  64           HD1      PHE  64 210.225  12.475  -2.641
  555    HD2  PHE  64           HD2      PHE  64 213.044  13.427   0.402
  556    HE1  PHE  64           HE1      PHE  64 209.629  14.857  -2.837
  557    HE2  PHE  64           HE2      PHE  64 212.450  15.807   0.216
  558    HZ   PHE  64           HZ       PHE  64 210.742  16.525  -1.406
  559    H    LEU  65           HN       LEU  65 209.257   9.782  -0.770
  560    HA   LEU  65           HA       LEU  65 207.639  11.954   0.165
  561   1HB   LEU  65          HB2       LEU  65 206.261  11.297  -1.447
  562   2HB   LEU  65          HB1       LEU  65 207.475  10.110  -1.883
  563    HG   LEU  65           HG       LEU  65 206.333   8.590  -0.188
  564   1HD1  LEU  65          HD11      LEU  65 204.304   9.135   0.681
  565   2HD1  LEU  65          HD12      LEU  65 203.839  10.087  -0.727
  566   3HD1  LEU  65          HD13      LEU  65 204.927  10.774   0.480
  567   1HD2  LEU  65          HD21      LEU  65 204.927   7.707  -1.864
  568   2HD2  LEU  65          HD22      LEU  65 206.251   8.493  -2.726
  569   3HD2  LEU  65          HD23      LEU  65 204.683   9.289  -2.601
  570    H    ILE  66           HN       ILE  66 208.117   8.582   1.073
  571    HA   ILE  66           HA       ILE  66 206.097   8.610   3.103
  572    HB   ILE  66           HB       ILE  66 208.382   6.710   2.577
  573   1HG1  ILE  66          HG12      ILE  66 206.713   6.650   0.834
  574   2HG1  ILE  66          HG11      ILE  66 206.536   5.205   1.826
  575   1HG2  ILE  66          HG21      ILE  66 208.065   6.154   4.745
  576   2HG2  ILE  66          HG22      ILE  66 206.699   5.255   4.081
  577   3HG2  ILE  66          HG23      ILE  66 206.443   6.846   4.799
  578   1HD1  ILE  66          HD11      ILE  66 204.384   6.195   1.213
  579   2HD1  ILE  66          HD12      ILE  66 204.838   7.681   2.049
  580   3HD1  ILE  66          HD13      ILE  66 204.636   6.184   2.958
  581    H    ARG  67           HN       ARG  67 209.499   9.332   2.910
  582    HA   ARG  67           HA       ARG  67 210.262   9.194   5.570
  583   1HB   ARG  67          HB2       ARG  67 211.243  10.446   3.134
  584   2HB   ARG  67          HB1       ARG  67 211.579  11.436   4.547
  585   1HG   ARG  67          HG2       ARG  67 213.242  10.108   5.162
  586   2HG   ARG  67          HG1       ARG  67 212.203   8.683   5.095
  587   1HD   ARG  67          HD2       ARG  67 212.678   8.337   2.805
  588   2HD   ARG  67          HD1       ARG  67 213.418   9.931   2.649
  589    HE   ARG  67           HE       ARG  67 214.750   8.226   4.538
  590   1HH1  ARG  67          HH11      ARG  67 214.502   9.112   1.171
  591   2HH1  ARG  67          HH12      ARG  67 216.104   8.581   0.784
  592   1HH2  ARG  67          HH21      ARG  67 216.858   7.529   4.031
  593   2HH2  ARG  67          HH22      ARG  67 217.441   7.682   2.407
  594    H    LYS  68           HN       LYS  68 208.737  11.915   3.842
  595    HA   LYS  68           HA       LYS  68 208.749  13.707   6.022
  596   1HB   LYS  68          HB2       LYS  68 206.717  13.603   3.798
  597   2HB   LYS  68          HB1       LYS  68 207.192  15.009   4.741
  598   1HG   LYS  68          HG2       LYS  68 208.795  15.490   3.294
  599   2HG   LYS  68          HG1       LYS  68 209.493  13.877   3.469
  600   1HD   LYS  68          HD2       LYS  68 208.004  13.003   1.785
  601   2HD   LYS  68          HD1       LYS  68 207.158  14.547   1.681
  602   1HE   LYS  68          HE2       LYS  68 210.034  14.786   1.269
  603   2HE   LYS  68          HE1       LYS  68 209.251  13.737   0.087
  604   1HZ   LYS  68          HZ1       LYS  68 209.281  16.513   0.127
  605   2HZ   LYS  68          HZ2       LYS  68 207.691  16.060   0.481
  606   3HZ   LYS  68          HZ3       LYS  68 208.430  15.509  -0.936
  607    H    ARG  69           HN       ARG  69 206.380  11.339   4.879
  608    HA   ARG  69           HA       ARG  69 204.281  11.956   6.600
  609   1HB   ARG  69          HB2       ARG  69 205.062   9.184   5.688
  610   2HB   ARG  69          HB1       ARG  69 203.465   9.720   6.194
  611   1HG   ARG  69          HG2       ARG  69 204.553  11.304   4.012
  612   2HG   ARG  69          HG1       ARG  69 204.381   9.593   3.612
  613   1HD   ARG  69          HD2       ARG  69 202.141   9.693   3.619
  614   2HD   ARG  69          HD1       ARG  69 202.092  10.754   5.027
  615    HE   ARG  69           HE       ARG  69 202.064  11.532   2.252
  616   1HH1  ARG  69          HH11      ARG  69 202.720  12.560   5.522
  617   2HH1  ARG  69          HH12      ARG  69 202.510  14.242   5.167
  618   1HH2  ARG  69          HH21      ARG  69 201.788  13.742   1.785
  619   2HH2  ARG  69          HH22      ARG  69 201.981  14.914   3.046
  620    H    ILE  70           HN       ILE  70 207.335  10.545   7.272
  621    HA   ILE  70           HA       ILE  70 206.455   9.801   9.979
  622    HB   ILE  70           HB       ILE  70 208.991   8.710   9.675
  623   1HG1  ILE  70          HG12      ILE  70 207.458   7.812   7.265
  624   2HG1  ILE  70          HG11      ILE  70 208.504   9.221   7.158
  625   1HG2  ILE  70          HG21      ILE  70 207.945   6.837  10.335
  626   2HG2  ILE  70          HG22      ILE  70 206.748   6.926   9.044
  627   3HG2  ILE  70          HG23      ILE  70 206.546   7.898  10.501
  628   1HD1  ILE  70          HD11      ILE  70 209.264   6.627   6.772
  629   2HD1  ILE  70          HD12      ILE  70 209.802   6.957   8.419
  630   3HD1  ILE  70          HD13      ILE  70 210.338   7.988   7.093
  631    H    HIS  71           HN       HIS  71 207.906  12.224   8.361
  632    HA   HIS  71           HA       HIS  71 209.039  14.058   9.013
  633   1HB   HIS  71          HB2       HIS  71 209.197  12.785  11.752
  634   2HB   HIS  71          HB1       HIS  71 209.547  14.463  11.361
  635    HD1  HIS  71           HD1      HIS  71 207.695  15.987  11.906
  636    HD2  HIS  71           HD2      HIS  71 206.317  12.184  10.954
  637    HE1  HIS  71           HE1      HIS  71 205.198  16.088  12.181
  638    HE2  HIS  71           HE2      HIS  71 204.395  13.755  11.676
  639    H    LEU  72           HN       LEU  72 210.327  12.362   7.604
  640    HA   LEU  72           HA       LEU  72 213.031  12.250   8.770
  641   1HB   LEU  72          HB2       LEU  72 211.830  10.352   6.768
  642   2HB   LEU  72          HB1       LEU  72 213.457  10.267   7.419
  643    HG   LEU  72           HG       LEU  72 210.854   9.685   8.807
  644   1HD1  LEU  72          HD11      LEU  72 212.282   7.992   7.455
  645   2HD1  LEU  72          HD12      LEU  72 211.645   7.534   9.034
  646   3HD1  LEU  72          HD13      LEU  72 213.332   8.022   8.870
  647   1HD2  LEU  72          HD21      LEU  72 212.725   9.245  10.723
  648   2HD2  LEU  72          HD22      LEU  72 211.716  10.687  10.624
  649   3HD2  LEU  72          HD23      LEU  72 213.351  10.708   9.965
  650    H    ARG  73           HN       ARG  73 214.689  13.031   7.520
  651    HA   ARG  73           HA       ARG  73 213.967  14.051   4.855
  652   1HB   ARG  73          HB2       ARG  73 215.579  15.980   5.471
  653   2HB   ARG  73          HB1       ARG  73 213.937  16.008   6.100
  654   1HG   ARG  73          HG2       ARG  73 216.079  14.757   7.743
  655   2HG   ARG  73          HG1       ARG  73 215.994  16.517   7.641
  656   1HD   ARG  73          HD2       ARG  73 213.673  14.752   8.408
  657   2HD   ARG  73          HD1       ARG  73 214.751  15.525   9.570
  658    HE   ARG  73           HE       ARG  73 213.692  17.445   7.783
  659   1HH1  ARG  73          HH11      ARG  73 212.794  15.460  10.509
  660   2HH1  ARG  73          HH12      ARG  73 211.565  16.550  11.058
  661   1HH2  ARG  73          HH21      ARG  73 212.076  18.879   8.503
  662   2HH2  ARG  73          HH22      ARG  73 211.157  18.490   9.918
  663    H    ALA  74           HN       ALA  74 215.062  11.926   4.332
  664    HA   ALA  74           HA       ALA  74 216.818  10.835   3.378
  665   1HB   ALA  74          HB1       ALA  74 218.292  13.457   3.488
  666   2HB   ALA  74          HB2       ALA  74 217.088  13.061   2.260
  667   3HB   ALA  74          HB3       ALA  74 218.566  12.107   2.387
  668    H    GLU  75           HN       GLU  75 218.477  13.204   5.470
  669    HA   GLU  75           HA       GLU  75 220.533  11.617   6.334
  670   1HB   GLU  75          HB2       GLU  75 219.021  13.745   7.853
  671   2HB   GLU  75          HB1       GLU  75 220.523  13.029   8.423
  672   1HG   GLU  75          HG2       GLU  75 221.783  14.026   6.766
  673   2HG   GLU  75          HG1       GLU  75 220.391  14.267   5.710
  674    H    ASP  76           HN       ASP  76 217.206  11.591   7.372
  675    HA   ASP  76           HA       ASP  76 217.639   9.900   9.651
  676   1HB   ASP  76          HB2       ASP  76 215.189  10.818   8.157
  677   2HB   ASP  76          HB1       ASP  76 215.087   9.629   9.452
  678    H    ALA  77           HN       ALA  77 216.840   7.728   9.844
  679    HA   ALA  77           HA       ALA  77 217.455   6.176   7.475
  680   1HB   ALA  77          HB1       ALA  77 216.905   5.287  10.300
  681   2HB   ALA  77          HB2       ALA  77 218.491   5.524   9.567
  682   3HB   ALA  77          HB3       ALA  77 217.428   4.245   8.978
  683    H    LEU  78           HN       LEU  78 216.113   4.867   6.406
  684    HA   LEU  78           HA       LEU  78 213.509   4.144   7.304
  685   1HB   LEU  78          HB2       LEU  78 213.019   6.443   6.695
  686   2HB   LEU  78          HB1       LEU  78 213.738   6.205   5.114
  687    HG   LEU  78           HG       LEU  78 211.958   4.502   4.640
  688   1HD1  LEU  78          HD11      LEU  78 211.181   3.787   6.703
  689   2HD1  LEU  78          HD12      LEU  78 209.888   4.844   6.137
  690   3HD1  LEU  78          HD13      LEU  78 211.044   5.428   7.334
  691   1HD2  LEU  78          HD21      LEU  78 211.862   6.891   3.906
  692   2HD2  LEU  78          HD22      LEU  78 210.863   7.224   5.322
  693   3HD2  LEU  78          HD23      LEU  78 210.290   6.109   4.080
  694    H    PHE  79           HN       PHE  79 213.419   2.128   6.591
  695    HA   PHE  79           HA       PHE  79 214.323   1.574   3.840
  696   1HB   PHE  79          HB2       PHE  79 214.357  -0.356   6.175
  697   2HB   PHE  79          HB1       PHE  79 214.951  -0.670   4.550
  698    HD1  PHE  79           HD1      PHE  79 217.164  -0.263   4.014
  699    HD2  PHE  79           HD2      PHE  79 215.503   1.508   7.507
  700    HE1  PHE  79           HE1      PHE  79 219.404   0.508   4.684
  701    HE2  PHE  79           HE2      PHE  79 217.737   2.287   8.182
  702    HZ   PHE  79           HZ       PHE  79 219.692   1.786   6.769
  703    H    PHE  80           HN       PHE  80 212.861   0.685   2.505
  704    HA   PHE  80           HA       PHE  80 210.190   0.245   3.501
  705   1HB   PHE  80          HB2       PHE  80 211.418   0.306   0.761
  706   2HB   PHE  80          HB1       PHE  80 209.785  -0.301   1.001
  707    HD1  PHE  80           HD1      PHE  80 210.744   2.120  -0.635
  708    HD2  PHE  80           HD2      PHE  80 209.169   1.724   3.300
  709    HE1  PHE  80           HE1      PHE  80 209.885   4.420  -0.747
  710    HE2  PHE  80           HE2      PHE  80 208.311   4.024   3.193
  711    HZ   PHE  80           HZ       PHE  80 208.667   5.374   1.167
  712    H    PHE  81           HN       PHE  81 209.041  -1.656   3.444
  713    HA   PHE  81           HA       PHE  81 210.511  -4.087   2.758
  714   1HB   PHE  81          HB2       PHE  81 209.021  -3.638   5.350
  715   2HB   PHE  81          HB1       PHE  81 209.698  -5.179   4.825
  716    HD1  PHE  81           HD1      PHE  81 210.468  -1.810   6.033
  717    HD2  PHE  81           HD2      PHE  81 212.063  -5.587   4.892
  718    HE1  PHE  81           HE1      PHE  81 212.633  -1.190   7.023
  719    HE2  PHE  81           HE2      PHE  81 214.230  -4.975   5.884
  720    HZ   PHE  81           HZ       PHE  81 214.525  -2.771   6.940
  721    H    VAL  82           HN       VAL  82 209.373  -5.022   1.219
  722    HA   VAL  82           HA       VAL  82 206.435  -5.049   1.461
  723    HB   VAL  82           HB       VAL  82 207.278  -3.737  -0.494
  724   1HG1  VAL  82          HG11      VAL  82 209.260  -5.276  -0.860
  725   2HG1  VAL  82          HG12      VAL  82 208.401  -4.736  -2.302
  726   3HG1  VAL  82          HG13      VAL  82 208.134  -6.362  -1.674
  727   1HG2  VAL  82          HG21      VAL  82 205.544  -4.393  -1.828
  728   2HG2  VAL  82          HG22      VAL  82 205.112  -5.236  -0.339
  729   3HG2  VAL  82          HG23      VAL  82 205.912  -6.110  -1.646
  730    H    ASN  83           HN       ASN  83 205.800  -6.987   2.119
  731    HA   ASN  83           HA       ASN  83 205.540  -9.253   2.225
  732   1HB   ASN  83          HB2       ASN  83 207.493  -9.511  -0.072
  733   2HB   ASN  83          HB1       ASN  83 206.264 -10.665   0.434
  734   1HD2  ASN  83          HD21      ASN  83 205.926 -10.398  -1.985
  735   2HD2  ASN  83          HD22      ASN  83 204.758  -9.218  -2.463
  736    H    ASN  84           HN       ASN  84 207.653  -7.634   3.482
  737    HA   ASN  84           HA       ASN  84 209.133  -8.070   5.160
  738   1HB   ASN  84          HB2       ASN  84 209.500 -10.866   4.072
  739   2HB   ASN  84          HB1       ASN  84 209.929 -10.270   5.670
  740   1HD2  ASN  84          HD21      ASN  84 208.386 -10.102   7.232
  741   2HD2  ASN  84          HD22      ASN  84 206.783 -10.719   7.052
  742    H    VAL  85           HN       VAL  85 209.697  -7.845   1.948
  743    HA   VAL  85           HA       VAL  85 212.608  -8.057   2.291
  744    HB   VAL  85           HB       VAL  85 211.676  -9.537   0.596
  745   1HG1  VAL  85          HG11      VAL  85 210.388  -7.088  -0.307
  746   2HG1  VAL  85          HG12      VAL  85 209.935  -8.770  -0.574
  747   3HG1  VAL  85          HG13      VAL  85 211.148  -8.010  -1.603
  748   1HG2  VAL  85          HG21      VAL  85 213.335  -7.399  -0.699
  749   2HG2  VAL  85          HG22      VAL  85 213.311  -9.122  -1.076
  750   3HG2  VAL  85          HG23      VAL  85 213.981  -8.563   0.457
  751    H    ILE  86           HN       ILE  86 213.918  -6.558   1.170
  752    HA   ILE  86           HA       ILE  86 212.786  -3.862   1.223
  753    HB   ILE  86           HB       ILE  86 215.664  -4.751   1.102
  754   1HG1  ILE  86          HG12      ILE  86 213.767  -4.141   3.326
  755   2HG1  ILE  86          HG11      ILE  86 215.019  -5.374   3.228
  756   1HG2  ILE  86          HG21      ILE  86 214.487  -2.011   1.586
  757   2HG2  ILE  86          HG22      ILE  86 215.293  -2.537   0.108
  758   3HG2  ILE  86          HG23      ILE  86 216.202  -2.427   1.616
  759   1HD1  ILE  86          HD11      ILE  86 215.469  -2.434   3.632
  760   2HD1  ILE  86          HD12      ILE  86 216.723  -3.672   3.548
  761   3HD1  ILE  86          HD13      ILE  86 215.560  -3.681   4.873
  762    HA   PRO  87           HA       PRO  87 212.853  -4.057  -3.281
  763   1HB   PRO  87          HB2       PRO  87 211.674  -1.666  -3.724
  764   2HB   PRO  87          HB1       PRO  87 210.762  -3.091  -3.210
  765   1HG   PRO  87          HG2       PRO  87 211.751  -0.783  -1.579
  766   2HG   PRO  87          HG1       PRO  87 210.178  -1.602  -1.522
  767   1HD   PRO  87          HD2       PRO  87 212.176  -2.101   0.255
  768   2HD   PRO  87          HD1       PRO  87 210.980  -3.322  -0.224
  769    HA   PRO  88           HA       PRO  88 216.516  -1.728  -4.162
  770   1HB   PRO  88          HB2       PRO  88 215.790  -1.748  -6.994
  771   2HB   PRO  88          HB1       PRO  88 217.103  -2.595  -6.175
  772   1HG   PRO  88          HG2       PRO  88 214.962  -3.892  -7.189
  773   2HG   PRO  88          HG1       PRO  88 215.813  -4.451  -5.738
  774   1HD   PRO  88          HD2       PRO  88 213.253  -2.909  -5.955
  775   2HD   PRO  88          HD1       PRO  88 213.660  -4.279  -4.899
  776    H    THR  89           HN       THR  89 216.948   0.388  -4.097
  777    HA   THR  89           HA       THR  89 215.017   2.377  -4.302
  778    HB   THR  89           HB       THR  89 217.072   3.922  -4.553
  779    HG1  THR  89           HG1      THR  89 218.381   2.106  -5.357
  780   1HG2  THR  89          HG21      THR  89 217.303   2.125  -2.180
  781   2HG2  THR  89          HG22      THR  89 215.911   3.190  -2.380
  782   3HG2  THR  89          HG23      THR  89 217.536   3.870  -2.291
  783    H    SER  90           HN       SER  90 216.887   0.842  -6.768
  784    HA   SER  90           HA       SER  90 216.511   2.912  -8.733
  785   1HB   SER  90          HB2       SER  90 217.565   1.353 -10.285
  786   2HB   SER  90          HB1       SER  90 218.478   1.403  -8.776
  787    HG   SER  90           HG       SER  90 216.566  -0.569  -9.493
  788    H    ALA  91           HN       ALA  91 214.958  -0.117  -7.858
  789    HA   ALA  91           HA       ALA  91 213.362  -0.491 -10.115
  790   1HB   ALA  91          HB1       ALA  91 213.616  -2.188  -8.385
  791   2HB   ALA  91          HB2       ALA  91 211.911  -1.833  -8.671
  792   3HB   ALA  91          HB3       ALA  91 212.722  -1.177  -7.249
  793    H    THR  92           HN       THR  92 211.086  -0.087 -10.420
  794    HA   THR  92           HA       THR  92 210.284   2.505  -9.296
  795    HB   THR  92           HB       THR  92 208.990   2.876 -11.251
  796    HG1  THR  92           HG1      THR  92 208.068   1.267 -12.191
  797   1HG2  THR  92          HG21      THR  92 211.251   3.286 -11.798
  798   2HG2  THR  92          HG22      THR  92 210.552   2.397 -13.152
  799   3HG2  THR  92          HG23      THR  92 211.588   1.566 -11.992
  800    H    MET  93           HN       MET  93 208.219   2.833  -8.483
  801    HA   MET  93           HA       MET  93 207.087   0.924  -6.894
  802   1HB   MET  93          HB2       MET  93 205.793   3.292  -8.241
  803   2HB   MET  93          HB1       MET  93 204.970   2.314  -7.036
  804   1HG   MET  93          HG2       MET  93 207.423   4.002  -6.669
  805   2HG   MET  93          HG1       MET  93 205.829   4.245  -5.962
  806   1HE   MET  93          HE1       MET  93 204.742   1.940  -4.827
  807   2HE   MET  93          HE2       MET  93 205.679   0.947  -3.711
  808   3HE   MET  93          HE3       MET  93 205.754   0.634  -5.445
  809    H    GLY  94           HN       GLY  94 206.128   1.711 -10.234
  810   1HA   GLY  94          HA2       GLY  94 203.968  -0.031 -10.465
  811   2HA   GLY  94          HA1       GLY  94 205.006   0.456 -11.799
  812    H    GLN  95           HN       GLN  95 207.425  -0.668 -10.879
  813    HA   GLN  95           HA       GLN  95 207.174  -3.306 -11.825
  814   1HB   GLN  95          HB2       GLN  95 209.398  -1.911 -10.335
  815   2HB   GLN  95          HB1       GLN  95 209.533  -3.559 -10.935
  816   1HG   GLN  95          HG2       GLN  95 209.244  -2.804 -13.203
  817   2HG   GLN  95          HG1       GLN  95 208.966  -1.154 -12.650
  818   1HE2  GLN  95          HE21      GLN  95 210.643   0.061 -13.124
  819   2HE2  GLN  95          HE22      GLN  95 212.304  -0.382 -12.959
  820    H    LEU  96           HN       LEU  96 207.340  -1.928  -8.593
  821    HA   LEU  96           HA       LEU  96 207.488  -4.400  -7.205
  822   1HB   LEU  96          HB2       LEU  96 206.350  -1.791  -6.197
  823   2HB   LEU  96          HB1       LEU  96 206.930  -3.128  -5.223
  824    HG   LEU  96           HG       LEU  96 208.581  -1.260  -6.920
  825   1HD1  LEU  96          HD11      LEU  96 208.064  -0.253  -4.851
  826   2HD1  LEU  96          HD12      LEU  96 209.695  -0.899  -4.680
  827   3HD1  LEU  96          HD13      LEU  96 208.327  -1.756  -3.966
  828   1HD2  LEU  96          HD21      LEU  96 210.511  -2.535  -6.392
  829   2HD2  LEU  96          HD22      LEU  96 209.324  -3.663  -7.047
  830   3HD2  LEU  96          HD23      LEU  96 209.602  -3.587  -5.307
  831    H    TYR  97           HN       TYR  97 204.834  -2.281  -8.171
  832    HA   TYR  97           HA       TYR  97 202.753  -3.715  -6.929
  833   1HB   TYR  97          HB2       TYR  97 202.406  -1.449  -7.720
  834   2HB   TYR  97          HB1       TYR  97 202.719  -1.948  -9.381
  835    HD1  TYR  97           HD1      TYR  97 201.124  -3.737 -10.369
  836    HD2  TYR  97           HD2      TYR  97 200.236  -1.428  -6.913
  837    HE1  TYR  97           HE1      TYR  97 198.729  -4.207 -10.681
  838    HE2  TYR  97           HE2      TYR  97 197.837  -1.892  -7.210
  839    HH   TYR  97           HH       TYR  97 196.642  -4.283  -9.051
  840    H    GLN  98           HN       GLN  98 204.505  -4.196  -9.901
  841    HA   GLN  98           HA       GLN  98 202.577  -6.090 -10.928
  842   1HB   GLN  98          HB2       GLN  98 205.312  -5.314 -11.927
  843   2HB   GLN  98          HB1       GLN  98 204.175  -6.351 -12.777
  844   1HG   GLN  98          HG2       GLN  98 202.782  -3.996 -12.151
  845   2HG   GLN  98          HG1       GLN  98 204.360  -3.500 -12.758
  846   1HE2  GLN  98          HE21      GLN  98 204.564  -3.337 -14.871
  847   2HE2  GLN  98          HE22      GLN  98 203.548  -4.083 -16.052
  848    H    GLU  99           HN       GLU  99 205.486  -6.153  -9.037
  849    HA   GLU  99           HA       GLU  99 205.555  -9.089  -9.292
  850   1HB   GLU  99          HB2       GLU  99 207.756  -7.097  -8.854
  851   2HB   GLU  99          HB1       GLU  99 207.968  -8.809  -8.512
  852   1HG   GLU  99          HG2       GLU  99 207.017  -9.004 -10.990
  853   2HG   GLU  99          HG1       GLU  99 207.740  -7.399 -11.098
  854    H    HIS 100           HN       HIS 100 204.386  -6.913  -7.184
  855    HA   HIS 100           HA       HIS 100 204.951  -8.701  -4.940
  856   1HB   HIS 100          HB2       HIS 100 205.361  -5.713  -4.830
  857   2HB   HIS 100          HB1       HIS 100 205.343  -6.770  -3.424
  858    HD1  HIS 100           HD1      HIS 100 207.503  -7.861  -2.808
  859    HD2  HIS 100           HD2      HIS 100 207.570  -6.286  -6.652
  860    HE1  HIS 100           HE1      HIS 100 209.883  -8.093  -3.589
  861    HE2  HIS 100           HE2      HIS 100 209.917  -7.053  -5.884
  862    H    HIS 101           HN       HIS 101 202.620  -7.219  -6.719
  863    HA   HIS 101           HA       HIS 101 200.866  -6.344  -4.646
  864   1HB   HIS 101          HB2       HIS 101 199.186  -6.124  -6.349
  865   2HB   HIS 101          HB1       HIS 101 200.712  -5.559  -7.012
  866    HD1  HIS 101           HD1      HIS 101 201.989  -7.505  -8.528
  867    HD2  HIS 101           HD2      HIS 101 197.894  -7.883  -7.936
  868    HE1  HIS 101           HE1      HIS 101 201.194  -9.078 -10.321
  869    HE2  HIS 101           HE2      HIS 101 198.728  -9.360  -9.887
  870    H    GLU 102           HN       GLU 102 200.263  -7.764  -3.139
  871    HA   GLU 102           HA       GLU 102 199.830 -10.539  -3.714
  872   1HB   GLU 102          HB2       GLU 102 199.472  -8.828  -1.265
  873   2HB   GLU 102          HB1       GLU 102 198.942 -10.505  -1.294
  874   1HG   GLU 102          HG2       GLU 102 201.736  -9.820  -2.085
  875   2HG   GLU 102          HG1       GLU 102 201.293  -9.888  -0.379
  876    H    GLU 103           HN       GLU 103 198.232  -9.714  -5.477
  877    HA   GLU 103           HA       GLU 103 196.104  -9.643  -6.279
  878   1HB   GLU 103          HB2       GLU 103 196.190 -11.718  -4.516
  879   2HB   GLU 103          HB1       GLU 103 194.872 -10.766  -3.846
  880   1HG   GLU 103          HG2       GLU 103 193.631 -11.971  -5.270
  881   2HG   GLU 103          HG1       GLU 103 194.172 -10.768  -6.440
  882    H    ASP 104           HN       ASP 104 193.665  -9.114  -5.372
  883    HA   ASP 104           HA       ASP 104 192.258  -7.542  -4.489
  884   1HB   ASP 104          HB2       ASP 104 194.282  -7.798  -2.528
  885   2HB   ASP 104          HB1       ASP 104 194.009  -6.070  -2.742
  886    H    PHE 105           HN       PHE 105 194.656  -7.019  -6.511
  887    HA   PHE 105           HA       PHE 105 195.361  -5.310  -7.841
  888   1HB   PHE 105          HB2       PHE 105 192.681  -4.185  -7.003
  889   2HB   PHE 105          HB1       PHE 105 193.671  -3.529  -8.302
  890    HD1  PHE 105           HD1      PHE 105 192.428  -6.901  -7.264
  891    HD2  PHE 105           HD2      PHE 105 192.975  -4.083 -10.408
  892    HE1  PHE 105           HE1      PHE 105 191.389  -8.469  -8.847
  893    HE2  PHE 105           HE2      PHE 105 191.937  -5.648 -11.995
  894    HZ   PHE 105           HZ       PHE 105 191.141  -7.845 -11.216
  895    H    PHE 106           HN       PHE 106 195.783  -5.189  -4.806
  896    HA   PHE 106           HA       PHE 106 196.521  -2.350  -4.682
  897   1HB   PHE 106          HB2       PHE 106 195.015  -4.008  -2.811
  898   2HB   PHE 106          HB1       PHE 106 196.373  -3.182  -2.052
  899    HD1  PHE 106           HD1      PHE 106 195.396  -1.495  -0.797
  900    HD2  PHE 106           HD2      PHE 106 194.220  -2.069  -4.847
  901    HE1  PHE 106           HE1      PHE 106 194.068   0.578  -0.696
  902    HE2  PHE 106           HE2      PHE 106 192.889   0.015  -4.753
  903    HZ   PHE 106           HZ       PHE 106 192.815   1.333  -2.676
  904    H    LEU 107           HN       LEU 107 198.527  -1.856  -4.207
  905    HA   LEU 107           HA       LEU 107 200.450  -4.009  -3.712
  906   1HB   LEU 107          HB2       LEU 107 201.022  -2.611  -5.573
  907   2HB   LEU 107          HB1       LEU 107 200.700  -1.151  -4.665
  908    HG   LEU 107           HG       LEU 107 203.099  -1.468  -5.038
  909   1HD1  LEU 107          HD11      LEU 107 202.830  -1.986  -2.144
  910   2HD1  LEU 107          HD12      LEU 107 201.989  -0.591  -2.818
  911   3HD1  LEU 107          HD13      LEU 107 203.734  -0.741  -3.002
  912   1HD2  LEU 107          HD21      LEU 107 203.685  -3.655  -5.148
  913   2HD2  LEU 107          HD22      LEU 107 202.489  -4.151  -3.951
  914   3HD2  LEU 107          HD23      LEU 107 204.008  -3.420  -3.428
  915    H    TYR 108           HN       TYR 108 201.052  -4.337  -1.613
  916    HA   TYR 108           HA       TYR 108 200.773  -2.046   0.216
  917   1HB   TYR 108          HB2       TYR 108 199.823  -3.369   1.790
  918   2HB   TYR 108          HB1       TYR 108 199.432  -4.370   0.402
  919    HD1  TYR 108           HD1      TYR 108 201.902  -5.789  -0.163
  920    HD2  TYR 108           HD2      TYR 108 200.172  -4.703   3.555
  921    HE1  TYR 108           HE1      TYR 108 203.049  -7.685   0.905
  922    HE2  TYR 108           HE2      TYR 108 201.320  -6.595   4.652
  923    HH   TYR 108           HH       TYR 108 203.803  -8.362   3.133
  924    H    ILE 109           HN       ILE 109 202.375  -1.474   1.582
  925    HA   ILE 109           HA       ILE 109 204.908  -2.961   1.470
  926    HB   ILE 109           HB       ILE 109 204.558  -0.029   0.872
  927   1HG1  ILE 109          HG12      ILE 109 205.044  -2.454  -0.806
  928   2HG1  ILE 109          HG11      ILE 109 203.934  -1.117  -1.052
  929   1HG2  ILE 109          HG21      ILE 109 207.051  -1.692   1.165
  930   2HG2  ILE 109          HG22      ILE 109 206.604  -0.230   2.048
  931   3HG2  ILE 109          HG23      ILE 109 207.024  -0.134   0.340
  932   1HD1  ILE 109          HD11      ILE 109 206.898  -1.135  -1.502
  933   2HD1  ILE 109          HD12      ILE 109 205.908   0.325  -1.547
  934   3HD1  ILE 109          HD13      ILE 109 205.619  -0.972  -2.708
  935    H    ALA 110           HN       ALA 110 206.530  -2.098   3.022
  936    HA   ALA 110           HA       ALA 110 205.359  -0.762   5.377
  937   1HB   ALA 110          HB1       ALA 110 206.945  -3.311   5.325
  938   2HB   ALA 110          HB2       ALA 110 205.385  -2.999   6.085
  939   3HB   ALA 110          HB3       ALA 110 206.853  -2.294   6.761
  940    H    TYR 111           HN       TYR 111 207.050   0.078   6.844
  941    HA   TYR 111           HA       TYR 111 209.632   0.595   5.600
  942   1HB   TYR 111          HB2       TYR 111 209.466   2.977   5.651
  943   2HB   TYR 111          HB1       TYR 111 208.045   2.381   4.803
  944    HD1  TYR 111           HD1      TYR 111 205.868   2.800   5.636
  945    HD2  TYR 111           HD2      TYR 111 209.251   3.771   7.983
  946    HE1  TYR 111           HE1      TYR 111 204.414   4.038   7.180
  947    HE2  TYR 111           HE2      TYR 111 207.826   5.009   9.562
  948    HH   TYR 111           HH       TYR 111 205.725   5.605  10.087
  949    H    SER 112           HN       SER 112 211.212   0.573   7.064
  950    HA   SER 112           HA       SER 112 210.562   1.120   9.892
  951   1HB   SER 112          HB2       SER 112 210.920  -1.053  10.318
  952   2HB   SER 112          HB1       SER 112 211.527  -1.350   8.693
  953    HG   SER 112           HG       SER 112 212.926  -0.606  11.014
  954    H    ASP 113           HN       ASP 113 212.598   1.466  11.202
  955    HA   ASP 113           HA       ASP 113 214.275   3.354   9.763
  956   1HB   ASP 113          HB2       ASP 113 213.259   3.960  11.950
  957   2HB   ASP 113          HB1       ASP 113 214.221   2.698  12.717
  958    H    GLU 114           HN       GLU 114 214.416   0.184   9.950
  959    HA   GLU 114           HA       GLU 114 217.352   0.127  10.027
  960   1HB   GLU 114          HB2       GLU 114 215.559  -1.983  11.243
  961   2HB   GLU 114          HB1       GLU 114 217.316  -2.024  11.181
  962   1HG   GLU 114          HG2       GLU 114 217.237   0.150  12.515
  963   2HG   GLU 114          HG1       GLU 114 215.544  -0.240  12.808
  964    H    SER 115           HN       SER 115 218.091  -2.115   9.122
  965    HA   SER 115           HA       SER 115 216.952  -2.289   6.485
  966   1HB   SER 115          HB2       SER 115 218.768  -3.877   6.013
  967   2HB   SER 115          HB1       SER 115 219.381  -2.409   6.778
  968    HG   SER 115           HG       SER 115 219.471  -3.543   8.743
  969    H    VAL 116           HN       VAL 116 215.944  -3.615   9.288
  970    HA   VAL 116           HA       VAL 116 215.037  -6.087   7.995
  971    HB   VAL 116           HB       VAL 116 214.338  -6.129  10.746
  972   1HG1  VAL 116          HG11      VAL 116 216.006  -8.039  10.759
  973   2HG1  VAL 116          HG12      VAL 116 216.328  -7.639   9.072
  974   3HG1  VAL 116          HG13      VAL 116 214.708  -8.132   9.569
  975   1HG2  VAL 116          HG21      VAL 116 217.178  -5.243  10.272
  976   2HG2  VAL 116          HG22      VAL 116 216.676  -6.099  11.729
  977   3HG2  VAL 116          HG23      VAL 116 215.974  -4.529  11.344
  978    H    TYR 117           HN       TYR 117 212.796  -6.658   8.453
  979    HA   TYR 117           HA       TYR 117 211.042  -4.521   7.949
  980   1HB   TYR 117          HB2       TYR 117 210.378  -6.699   7.225
  981   2HB   TYR 117          HB1       TYR 117 210.533  -7.359   8.852
  982    HD1  TYR 117           HD1      TYR 117 208.842  -4.285   7.603
  983    HD2  TYR 117           HD2      TYR 117 208.426  -8.054   9.526
  984    HE1  TYR 117           HE1      TYR 117 206.473  -3.797   8.026
  985    HE2  TYR 117           HE2      TYR 117 206.052  -7.577   9.957
  986    HH   TYR 117           HH       TYR 117 204.696  -4.491   9.578
  987    H    GLY 118           HN       GLY 118 211.960  -3.193   9.803
  988   1HA   GLY 118          HA2       GLY 118 211.526  -2.099  11.773
  989   2HA   GLY 118          HA1       GLY 118 210.007  -2.982  11.833
  990    H    LEU 119           HN       LEU 119 210.329  -5.376  12.367
  991    HA   LEU 119           HA       LEU 119 210.759  -5.986  14.844
  992   1HB   LEU 119          HB2       LEU 119 211.682  -7.509  12.436
  993   2HB   LEU 119          HB1       LEU 119 211.879  -8.178  14.049
  994    HG   LEU 119           HG       LEU 119 209.175  -7.191  13.591
  995   1HD1  LEU 119          HD11      LEU 119 210.180  -8.233  11.315
  996   2HD1  LEU 119          HD12      LEU 119 208.488  -8.368  11.797
  997   3HD1  LEU 119          HD13      LEU 119 209.605  -9.698  12.109
  998   1HD2  LEU 119          HD21      LEU 119 209.888  -8.587  15.477
  999   2HD2  LEU 119          HD22      LEU 119 210.245  -9.901  14.354
 1000   3HD2  LEU 119          HD23      LEU 119 208.587  -9.330  14.546
  Start of MODEL   14
    1   1H    GLY   1          HT1       GLY   1 206.377 -11.746   6.402
    2   2H    GLY   1          HT2       GLY   1 206.693 -13.201   5.600
    3   3H    GLY   1          HT3       GLY   1 207.325 -12.933   7.146
    4   1HA   GLY   1          HA1       GLY   1 204.418 -13.019   6.587
    5   2HA   GLY   1          HA2       GLY   1 205.341 -14.442   7.044
    6    H    SER   2           HN       SER   2 205.550 -11.090   8.201
    7    HA   SER   2           HA       SER   2 204.320 -11.720  10.716
    8   1HB   SER   2          HB2       SER   2 207.152 -10.843  11.045
    9   2HB   SER   2          HB1       SER   2 206.138 -11.802  12.124
   10    HG   SER   2           HG       SER   2 207.662 -13.153  11.219
   11    H    MET   3           HN       MET   3 203.718  -9.830   8.782
   12    HA   MET   3           HA       MET   3 204.766  -7.281   9.723
   13   1HB   MET   3          HB2       MET   3 202.945  -8.049   7.446
   14   2HB   MET   3          HB1       MET   3 203.222  -6.374   7.900
   15   1HG   MET   3          HG2       MET   3 205.710  -6.910   7.610
   16   2HG   MET   3          HG1       MET   3 205.158  -8.354   6.764
   17   1HE   MET   3          HE1       MET   3 205.054  -4.424   6.854
   18   2HE   MET   3          HE2       MET   3 205.424  -4.142   5.154
   19   3HE   MET   3          HE3       MET   3 206.557  -5.043   6.164
   20    H    LYS   4           HN       LYS   4 203.342  -5.539  10.329
   21    HA   LYS   4           HA       LYS   4 200.798  -6.452  11.504
   22   1HB   LYS   4          HB2       LYS   4 203.068  -4.997  12.754
   23   2HB   LYS   4          HB1       LYS   4 201.448  -4.491  13.211
   24   1HG   LYS   4          HG2       LYS   4 201.958  -6.068  14.814
   25   2HG   LYS   4          HG1       LYS   4 201.036  -7.005  13.638
   26   1HD   LYS   4          HD2       LYS   4 203.571  -7.269  12.677
   27   2HD   LYS   4          HD1       LYS   4 203.858  -7.202  14.417
   28   1HE   LYS   4          HE2       LYS   4 201.947  -8.938  14.561
   29   2HE   LYS   4          HE1       LYS   4 202.252  -9.181  12.841
   30   1HZ   LYS   4          HZ1       LYS   4 203.721 -10.674  13.614
   31   2HZ   LYS   4          HZ2       LYS   4 203.859  -9.943  15.132
   32   3HZ   LYS   4          HZ3       LYS   4 204.726  -9.328  13.816
   33    H    PHE   5           HN       PHE   5 199.368  -5.574  10.108
   34    HA   PHE   5           HA       PHE   5 199.589  -2.685   9.559
   35   1HB   PHE   5          HB2       PHE   5 198.492  -4.949   7.906
   36   2HB   PHE   5          HB1       PHE   5 198.024  -3.281   7.596
   37    HD1  PHE   5           HD1      PHE   5 201.257  -4.959   8.402
   38    HD2  PHE   5           HD2      PHE   5 199.078  -2.460   5.738
   39    HE1  PHE   5           HE1      PHE   5 203.279  -4.646   7.046
   40    HE2  PHE   5           HE2      PHE   5 201.101  -2.143   4.375
   41    HZ   PHE   5           HZ       PHE   5 203.207  -3.238   5.028
   42    H    VAL   6           HN       VAL   6 197.446  -1.597   9.203
   43    HA   VAL   6           HA       VAL   6 195.296  -2.813  10.778
   44    HB   VAL   6           HB       VAL   6 196.551  -1.237  12.241
   45   1HG1  VAL   6          HG11      VAL   6 197.216   0.375  10.514
   46   2HG1  VAL   6          HG12      VAL   6 196.413   1.150  11.877
   47   3HG1  VAL   6          HG13      VAL   6 195.536   0.894  10.368
   48   1HG2  VAL   6          HG21      VAL   6 194.476  -1.432  13.110
   49   2HG2  VAL   6          HG22      VAL   6 193.684  -1.017  11.590
   50   3HG2  VAL   6          HG23      VAL   6 194.352   0.255  12.612
   51    H    TYR   7           HN       TYR   7 196.200  -0.169   8.579
   52    HA   TYR   7           HA       TYR   7 193.505   0.369   7.799
   53   1HB   TYR   7          HB2       TYR   7 195.250   2.076   7.519
   54   2HB   TYR   7          HB1       TYR   7 196.092   1.041   6.372
   55    HD1  TYR   7           HD1      TYR   7 192.683   2.498   6.863
   56    HD2  TYR   7           HD2      TYR   7 195.782   1.471   4.134
   57    HE1  TYR   7           HE1      TYR   7 191.374   3.466   5.022
   58    HE2  TYR   7           HE2      TYR   7 194.483   2.439   2.283
   59    HH   TYR   7           HH       TYR   7 192.009   2.898   1.815
   60    H    LYS   8           HN       LYS   8 196.214  -1.077   5.973
   61    HA   LYS   8           HA       LYS   8 194.553  -2.188   3.969
   62   1HB   LYS   8          HB2       LYS   8 196.720  -1.999   3.207
   63   2HB   LYS   8          HB1       LYS   8 197.424  -2.424   4.752
   64   1HG   LYS   8          HG2       LYS   8 197.995  -4.204   3.397
   65   2HG   LYS   8          HG1       LYS   8 196.560  -4.807   4.226
   66   1HD   LYS   8          HD2       LYS   8 195.192  -4.173   2.288
   67   2HD   LYS   8          HD1       LYS   8 196.640  -3.594   1.465
   68   1HE   LYS   8          HE2       LYS   8 196.898  -6.325   2.454
   69   2HE   LYS   8          HE1       LYS   8 195.586  -6.131   1.294
   70   1HZ   LYS   8          HZ1       LYS   8 197.235  -6.427  -0.180
   71   2HZ   LYS   8          HZ2       LYS   8 198.450  -5.944   0.893
   72   3HZ   LYS   8          HZ3       LYS   8 197.531  -4.781   0.078
   73    H    GLU   9           HN       GLU   9 195.232  -3.087   7.186
   74    HA   GLU   9           HA       GLU   9 194.629  -5.881   6.844
   75   1HB   GLU   9          HB2       GLU   9 195.632  -4.165   9.007
   76   2HB   GLU   9          HB1       GLU   9 194.594  -5.484   9.531
   77   1HG   GLU   9          HG2       GLU   9 196.735  -6.162   7.613
   78   2HG   GLU   9          HG1       GLU   9 197.233  -5.724   9.247
   79    H    GLU  10           HN       GLU  10 193.141  -3.023   8.287
   80    HA   GLU  10           HA       GLU  10 190.820  -4.337   9.236
   81   1HB   GLU  10          HB2       GLU  10 191.510  -1.458   8.714
   82   2HB   GLU  10          HB1       GLU  10 189.890  -1.925   9.209
   83   1HG   GLU  10          HG2       GLU  10 192.109  -2.978  10.841
   84   2HG   GLU  10          HG1       GLU  10 191.824  -1.240  10.924
   85    H    HIS  11           HN       HIS  11 191.190  -2.074   6.491
   86    HA   HIS  11           HA       HIS  11 188.667  -2.350   5.393
   87   1HB   HIS  11          HB2       HIS  11 191.346  -1.657   4.302
   88   2HB   HIS  11          HB1       HIS  11 190.079  -2.039   3.140
   89    HD1  HIS  11           HD1      HIS  11 190.899   0.420   5.882
   90    HD2  HIS  11           HD2      HIS  11 188.205  -0.059   2.753
   91    HE1  HIS  11           HE1      HIS  11 189.688   2.616   5.694
   92    HE2  HIS  11           HE2      HIS  11 188.000   2.272   3.857
   93    HA   PRO  12           HA       PRO  12 188.580  -6.866   4.744
   94   1HB   PRO  12          HB2       PRO  12 186.396  -5.984   2.967
   95   2HB   PRO  12          HB1       PRO  12 186.392  -7.212   4.232
   96   1HG   PRO  12          HG2       PRO  12 185.347  -4.635   4.462
   97   2HG   PRO  12          HG1       PRO  12 185.709  -5.732   5.802
   98   1HD   PRO  12          HD2       PRO  12 187.000  -3.270   5.139
   99   2HD   PRO  12          HD1       PRO  12 187.387  -4.385   6.458
  100    H    PHE  13           HN       PHE  13 188.547  -8.242   2.797
  101    HA   PHE  13           HA       PHE  13 190.398  -7.350   0.892
  102   1HB   PHE  13          HB2       PHE  13 189.809  -9.773   1.625
  103   2HB   PHE  13          HB1       PHE  13 188.576  -9.676   0.373
  104    HD1  PHE  13           HD1      PHE  13 191.784 -10.755   1.036
  105    HD2  PHE  13           HD2      PHE  13 189.564  -8.676  -1.945
  106    HE1  PHE  13           HE1      PHE  13 193.462 -11.383  -0.651
  107    HE2  PHE  13           HE2      PHE  13 191.234  -9.304  -3.633
  108    HZ   PHE  13           HZ       PHE  13 193.189 -10.656  -2.990
  109    H    GLU  14           HN       GLU  14 186.903  -7.901   0.650
  110    HA   GLU  14           HA       GLU  14 186.585  -7.221  -2.030
  111   1HB   GLU  14          HB2       GLU  14 184.897  -7.748   0.192
  112   2HB   GLU  14          HB1       GLU  14 184.339  -6.250  -0.540
  113   1HG   GLU  14          HG2       GLU  14 183.495  -7.299  -2.311
  114   2HG   GLU  14          HG1       GLU  14 184.920  -8.321  -2.498
  115    H    LYS  15           HN       LYS  15 187.263  -5.246   0.704
  116    HA   LYS  15           HA       LYS  15 186.419  -2.776  -0.529
  117   1HB   LYS  15          HB2       LYS  15 188.127  -3.134   1.931
  118   2HB   LYS  15          HB1       LYS  15 187.193  -1.715   1.474
  119   1HG   LYS  15          HG2       LYS  15 185.696  -4.234   1.785
  120   2HG   LYS  15          HG1       LYS  15 186.351  -3.500   3.247
  121   1HD   LYS  15          HD2       LYS  15 185.289  -1.368   2.603
  122   2HD   LYS  15          HD1       LYS  15 184.544  -2.194   1.228
  123   1HE   LYS  15          HE2       LYS  15 183.838  -3.836   3.254
  124   2HE   LYS  15          HE1       LYS  15 183.884  -2.289   4.097
  125   1HZ   LYS  15          HZ1       LYS  15 182.524  -1.588   1.944
  126   2HZ   LYS  15          HZ2       LYS  15 181.774  -2.196   3.333
  127   3HZ   LYS  15          HZ3       LYS  15 182.068  -3.216   2.017
  128    H    ARG  16           HN       ARG  16 189.550  -4.144   0.510
  129    HA   ARG  16           HA       ARG  16 191.125  -2.144  -0.687
  130   1HB   ARG  16          HB2       ARG  16 192.136  -4.950  -0.494
  131   2HB   ARG  16          HB1       ARG  16 192.989  -3.450  -0.201
  132   1HG   ARG  16          HG2       ARG  16 192.571  -3.552   1.973
  133   2HG   ARG  16          HG1       ARG  16 190.852  -3.844   1.709
  134   1HD   ARG  16          HD2       ARG  16 191.183  -5.935   2.419
  135   2HD   ARG  16          HD1       ARG  16 192.115  -6.218   0.956
  136    HE   ARG  16           HE       ARG  16 193.617  -5.035   3.108
  137   1HH1  ARG  16          HH11      ARG  16 192.538  -8.013   1.638
  138   2HH1  ARG  16          HH12      ARG  16 193.809  -8.962   2.332
  139   1HH2  ARG  16          HH21      ARG  16 195.288  -6.285   4.024
  140   2HH2  ARG  16          HH22      ARG  16 195.370  -7.982   3.685
  141    H    ARG  17           HN       ARG  17 190.101  -5.341  -1.838
  142    HA   ARG  17           HA       ARG  17 191.373  -5.297  -4.329
  143   1HB   ARG  17          HB2       ARG  17 190.252  -7.269  -3.230
  144   2HB   ARG  17          HB1       ARG  17 188.715  -6.596  -3.762
  145   1HG   ARG  17          HG2       ARG  17 190.020  -6.585  -6.096
  146   2HG   ARG  17          HG1       ARG  17 190.837  -7.938  -5.312
  147   1HD   ARG  17          HD2       ARG  17 188.845  -9.140  -5.065
  148   2HD   ARG  17          HD1       ARG  17 187.852  -7.718  -5.372
  149    HE   ARG  17           HE       ARG  17 188.105  -8.051  -7.635
  150   1HH1  ARG  17          HH11      ARG  17 190.299 -10.140  -5.899
  151   2HH1  ARG  17          HH12      ARG  17 190.710 -11.075  -7.296
  152   1HH2  ARG  17          HH21      ARG  17 188.646  -9.282  -9.472
  153   2HH2  ARG  17          HH22      ARG  17 189.774 -10.588  -9.325
  154    H    SER  18           HN       SER  18 188.117  -4.255  -3.381
  155    HA   SER  18           HA       SER  18 187.049  -3.553  -5.792
  156   1HB   SER  18          HB2       SER  18 185.638  -3.359  -3.907
  157   2HB   SER  18          HB1       SER  18 186.765  -2.297  -3.064
  158    HG   SER  18           HG       SER  18 186.251  -0.659  -4.503
  159    H    GLU  19           HN       GLU  19 189.358  -1.759  -3.844
  160    HA   GLU  19           HA       GLU  19 189.356   0.554  -5.540
  161   1HB   GLU  19          HB2       GLU  19 190.681  -0.308  -3.068
  162   2HB   GLU  19          HB1       GLU  19 191.685   0.696  -4.104
  163   1HG   GLU  19          HG2       GLU  19 190.583   2.529  -3.544
  164   2HG   GLU  19          HG1       GLU  19 189.022   1.772  -3.853
  165    H    GLY  20           HN       GLY  20 191.493  -2.226  -5.033
  166   1HA   GLY  20          HA2       GLY  20 193.510  -1.430  -6.830
  167   2HA   GLY  20          HA1       GLY  20 193.209  -3.077  -6.297
  168    H    GLU  21           HN       GLU  21 190.749  -3.627  -7.306
  169    HA   GLU  21           HA       GLU  21 191.294  -4.286  -9.949
  170   1HB   GLU  21          HB2       GLU  21 189.704  -5.616  -8.907
  171   2HB   GLU  21          HB1       GLU  21 188.799  -4.239  -8.294
  172   1HG   GLU  21          HG2       GLU  21 187.581  -4.038 -10.163
  173   2HG   GLU  21          HG1       GLU  21 188.932  -4.457 -11.216
  174    H    LYS  22           HN       LYS  22 189.961  -1.371  -8.603
  175    HA   LYS  22           HA       LYS  22 189.034  -0.480 -11.218
  176   1HB   LYS  22          HB2       LYS  22 187.524   0.102  -9.522
  177   2HB   LYS  22          HB1       LYS  22 188.800   0.637  -8.438
  178   1HG   LYS  22          HG2       LYS  22 188.596   2.126 -10.965
  179   2HG   LYS  22          HG1       LYS  22 187.217   2.287  -9.875
  180   1HD   LYS  22          HD2       LYS  22 189.342   2.548  -8.167
  181   2HD   LYS  22          HD1       LYS  22 189.941   3.329  -9.632
  182   1HE   LYS  22          HE2       LYS  22 187.676   4.555  -9.644
  183   2HE   LYS  22          HE1       LYS  22 187.546   4.027  -7.967
  184   1HZ   LYS  22          HZ1       LYS  22 188.525   6.101  -7.808
  185   2HZ   LYS  22          HZ2       LYS  22 189.499   5.878  -9.173
  186   3HZ   LYS  22          HZ3       LYS  22 189.863   5.069  -7.732
  187    H    ILE  23           HN       ILE  23 191.281   0.592  -8.696
  188    HA   ILE  23           HA       ILE  23 192.439   2.737 -10.037
  189    HB   ILE  23           HB       ILE  23 193.478   0.833  -7.953
  190   1HG1  ILE  23          HG12      ILE  23 193.160   3.709  -7.407
  191   2HG1  ILE  23          HG11      ILE  23 191.670   2.849  -7.777
  192   1HG2  ILE  23          HG21      ILE  23 194.900   3.381  -8.625
  193   2HG2  ILE  23          HG22      ILE  23 195.330   1.861  -9.409
  194   3HG2  ILE  23          HG23      ILE  23 195.459   2.019  -7.660
  195   1HD1  ILE  23          HD11      ILE  23 193.055   2.987  -5.347
  196   2HD1  ILE  23          HD12      ILE  23 193.202   1.326  -5.924
  197   3HD1  ILE  23          HD13      ILE  23 191.606   2.054  -5.725
  198    H    ARG  24           HN       ARG  24 192.804  -0.669 -10.489
  199    HA   ARG  24           HA       ARG  24 195.263  -0.455 -11.996
  200   1HB   ARG  24          HB2       ARG  24 193.418  -2.757 -11.359
  201   2HB   ARG  24          HB1       ARG  24 194.880  -2.922 -12.331
  202   1HG   ARG  24          HG2       ARG  24 194.847  -1.871  -9.514
  203   2HG   ARG  24          HG1       ARG  24 195.143  -3.559  -9.938
  204   1HD   ARG  24          HD2       ARG  24 196.767  -1.253 -10.990
  205   2HD   ARG  24          HD1       ARG  24 197.198  -2.171  -9.552
  206    HE   ARG  24           HE       ARG  24 197.373  -4.140 -11.004
  207   1HH1  ARG  24          HH11      ARG  24 197.483  -0.988 -12.522
  208   2HH1  ARG  24          HH12      ARG  24 198.335  -1.560 -13.914
  209   1HH2  ARG  24          HH21      ARG  24 198.492  -4.876 -12.836
  210   2HH2  ARG  24          HH22      ARG  24 198.906  -3.761 -14.094
  211    H    LYS  25           HN       LYS  25 191.829  -0.959 -12.613
  212    HA   LYS  25           HA       LYS  25 192.161  -1.524 -15.386
  213   1HB   LYS  25          HB2       LYS  25 189.763  -0.749 -13.738
  214   2HB   LYS  25          HB1       LYS  25 189.677  -1.192 -15.442
  215   1HG   LYS  25          HG2       LYS  25 190.471  -3.397 -14.975
  216   2HG   LYS  25          HG1       LYS  25 190.811  -2.967 -13.296
  217   1HD   LYS  25          HD2       LYS  25 188.744  -4.234 -13.427
  218   2HD   LYS  25          HD1       LYS  25 188.398  -2.572 -12.944
  219   1HE   LYS  25          HE2       LYS  25 186.973  -2.405 -14.638
  220   2HE   LYS  25          HE1       LYS  25 188.312  -2.640 -15.761
  221   1HZ   LYS  25          HZ1       LYS  25 187.746  -4.773 -16.129
  222   2HZ   LYS  25          HZ2       LYS  25 186.215  -4.261 -15.625
  223   3HZ   LYS  25          HZ3       LYS  25 187.242  -5.047 -14.536
  224    H    LYS  26           HN       LYS  26 191.188   1.383 -13.574
  225    HA   LYS  26           HA       LYS  26 190.945   2.896 -15.994
  226   1HB   LYS  26          HB2       LYS  26 189.728   3.199 -13.681
  227   2HB   LYS  26          HB1       LYS  26 191.079   4.291 -13.401
  228   1HG   LYS  26          HG2       LYS  26 190.344   5.028 -15.888
  229   2HG   LYS  26          HG1       LYS  26 188.784   4.546 -15.213
  230   1HD   LYS  26          HD2       LYS  26 190.705   6.544 -14.038
  231   2HD   LYS  26          HD1       LYS  26 189.190   6.915 -14.860
  232   1HE   LYS  26          HE2       LYS  26 187.923   5.814 -13.133
  233   2HE   LYS  26          HE1       LYS  26 189.402   5.264 -12.347
  234   1HZ   LYS  26          HZ1       LYS  26 189.746   7.260 -11.405
  235   2HZ   LYS  26          HZ2       LYS  26 188.084   7.468 -11.644
  236   3HZ   LYS  26          HZ3       LYS  26 189.185   8.129 -12.744
  237    H    TYR  27           HN       TYR  27 193.345   2.461 -13.487
  238    HA   TYR  27           HA       TYR  27 195.099   4.282 -15.000
  239   1HB   TYR  27          HB2       TYR  27 195.936   3.552 -12.259
  240   2HB   TYR  27          HB1       TYR  27 196.061   5.089 -13.100
  241    HD1  TYR  27           HD1      TYR  27 193.140   5.534 -13.711
  242    HD2  TYR  27           HD2      TYR  27 195.112   4.191 -10.192
  243    HE1  TYR  27           HE1      TYR  27 191.300   6.423 -12.339
  244    HE2  TYR  27           HE2      TYR  27 193.274   5.069  -8.815
  245    HH   TYR  27           HH       TYR  27 191.506   6.753  -8.967
  246    HA   PRO  28           HA       PRO  28 196.937   0.147 -15.624
  247   1HB   PRO  28          HB2       PRO  28 197.901   1.233 -18.143
  248   2HB   PRO  28          HB1       PRO  28 196.757  -0.082 -17.869
  249   1HG   PRO  28          HG2       PRO  28 196.031   2.316 -18.924
  250   2HG   PRO  28          HG1       PRO  28 194.934   1.309 -17.962
  251   1HD   PRO  28          HD2       PRO  28 196.515   3.714 -17.135
  252   2HD   PRO  28          HD1       PRO  28 194.838   3.273 -16.740
  253    H    ASP  29           HN       ASP  29 198.281   3.345 -15.692
  254    HA   ASP  29           HA       ASP  29 201.015   2.299 -15.661
  255   1HB   ASP  29          HB2       ASP  29 199.817   5.001 -16.141
  256   2HB   ASP  29          HB1       ASP  29 201.496   4.878 -15.621
  257    H    ARG  30           HN       ARG  30 198.602   3.238 -13.487
  258    HA   ARG  30           HA       ARG  30 200.540   4.013 -11.427
  259   1HB   ARG  30          HB2       ARG  30 197.635   4.462 -11.841
  260   2HB   ARG  30          HB1       ARG  30 198.187   4.313 -10.180
  261   1HG   ARG  30          HG2       ARG  30 199.865   6.096 -11.730
  262   2HG   ARG  30          HG1       ARG  30 198.174   6.602 -11.717
  263   1HD   ARG  30          HD2       ARG  30 198.122   6.726  -9.370
  264   2HD   ARG  30          HD1       ARG  30 199.639   5.841  -9.209
  265    HE   ARG  30           HE       ARG  30 200.784   7.798  -9.552
  266   1HH1  ARG  30          HH11      ARG  30 197.442   8.263 -10.443
  267   2HH1  ARG  30          HH12      ARG  30 197.601   9.976 -10.635
  268   1HH2  ARG  30          HH21      ARG  30 200.996  10.051  -9.806
  269   2HH2  ARG  30          HH22      ARG  30 199.619  10.992 -10.274
  270    H    VAL  31           HN       VAL  31 200.224   3.115  -9.234
  271    HA   VAL  31           HA       VAL  31 199.054   0.429  -9.219
  272    HB   VAL  31           HB       VAL  31 200.970  -0.544  -8.105
  273   1HG1  VAL  31          HG11      VAL  31 202.404   0.687 -10.346
  274   2HG1  VAL  31          HG12      VAL  31 200.816   0.034 -10.753
  275   3HG1  VAL  31          HG13      VAL  31 202.037  -1.007 -10.021
  276   1HG2  VAL  31          HG21      VAL  31 201.784   2.220  -7.804
  277   2HG2  VAL  31          HG22      VAL  31 203.077   1.230  -8.477
  278   3HG2  VAL  31          HG23      VAL  31 202.332   0.781  -6.943
  279    HA   PRO  32           HA       PRO  32 197.477   2.192  -5.400
  280   1HB   PRO  32          HB2       PRO  32 196.104  -0.013  -4.581
  281   2HB   PRO  32          HB1       PRO  32 195.495   1.099  -5.813
  282   1HG   PRO  32          HG2       PRO  32 196.850  -1.545  -6.149
  283   2HG   PRO  32          HG1       PRO  32 195.457  -0.882  -7.021
  284   1HD   PRO  32          HD2       PRO  32 197.959  -0.892  -8.057
  285   2HD   PRO  32          HD1       PRO  32 196.777   0.379  -8.425
  286    H    VAL  33           HN       VAL  33 199.069   2.422  -3.920
  287    HA   VAL  33           HA       VAL  33 200.277  -0.018  -2.829
  288    HB   VAL  33           HB       VAL  33 201.366   2.793  -2.831
  289   1HG1  VAL  33          HG11      VAL  33 202.469   2.044  -1.020
  290   2HG1  VAL  33          HG12      VAL  33 203.469   1.213  -2.212
  291   3HG1  VAL  33          HG13      VAL  33 202.164   0.351  -1.398
  292   1HG2  VAL  33          HG21      VAL  33 201.362   1.692  -5.039
  293   2HG2  VAL  33          HG22      VAL  33 202.283   0.345  -4.359
  294   3HG2  VAL  33          HG23      VAL  33 202.994   1.961  -4.426
  295    H    ILE  34           HN       ILE  34 200.463  -0.361  -0.651
  296    HA   ILE  34           HA       ILE  34 199.020   1.510   1.103
  297    HB   ILE  34           HB       ILE  34 199.205  -1.471   1.561
  298   1HG1  ILE  34          HG12      ILE  34 197.818  -1.086  -0.398
  299   2HG1  ILE  34          HG11      ILE  34 196.782  -1.488   0.967
  300   1HG2  ILE  34          HG21      ILE  34 197.072  -0.116   2.912
  301   2HG2  ILE  34          HG22      ILE  34 198.604   0.688   3.255
  302   3HG2  ILE  34          HG23      ILE  34 198.420  -1.033   3.587
  303   1HD1  ILE  34          HD11      ILE  34 197.259   1.380   0.574
  304   2HD1  ILE  34          HD12      ILE  34 195.770   0.510   0.943
  305   3HD1  ILE  34          HD13      ILE  34 196.364   0.576  -0.715
  306    H    VAL  35           HN       VAL  35 201.115   2.520   1.381
  307    HA   VAL  35           HA       VAL  35 203.332   1.178   2.488
  308    HB   VAL  35           HB       VAL  35 202.610   4.086   2.878
  309   1HG1  VAL  35          HG11      VAL  35 205.271   4.052   2.721
  310   2HG1  VAL  35          HG12      VAL  35 205.014   2.441   3.395
  311   3HG1  VAL  35          HG13      VAL  35 204.400   3.865   4.243
  312   1HG2  VAL  35          HG21      VAL  35 202.565   3.450   0.501
  313   2HG2  VAL  35          HG22      VAL  35 204.202   2.811   0.655
  314   3HG2  VAL  35          HG23      VAL  35 203.904   4.537   0.872
  315    H    GLU  36           HN       GLU  36 204.118   1.219   4.693
  316    HA   GLU  36           HA       GLU  36 202.185   1.874   6.775
  317   1HB   GLU  36          HB2       GLU  36 202.238  -0.680   5.753
  318   2HB   GLU  36          HB1       GLU  36 203.279  -0.815   7.163
  319   1HG   GLU  36          HG2       GLU  36 200.828   0.666   7.688
  320   2HG   GLU  36          HG1       GLU  36 200.545  -0.983   7.143
  321    H    LYS  37           HN       LYS  37 203.087   1.704   8.954
  322    HA   LYS  37           HA       LYS  37 205.967   2.229   8.918
  323   1HB   LYS  37          HB2       LYS  37 204.022   3.696  10.057
  324   2HB   LYS  37          HB1       LYS  37 204.362   2.611  11.399
  325   1HG   LYS  37          HG2       LYS  37 206.868   3.370  10.716
  326   2HG   LYS  37          HG1       LYS  37 205.950   4.819  10.308
  327   1HD   LYS  37          HD2       LYS  37 206.540   5.148  12.540
  328   2HD   LYS  37          HD1       LYS  37 204.881   4.553  12.627
  329   1HE   LYS  37          HE2       LYS  37 206.166   2.224  12.736
  330   2HE   LYS  37          HE1       LYS  37 207.414   3.259  13.433
  331   1HZ   LYS  37          HZ1       LYS  37 205.466   2.155  14.858
  332   2HZ   LYS  37          HZ2       LYS  37 204.724   3.624  14.472
  333   3HZ   LYS  37          HZ3       LYS  37 206.207   3.615  15.286
  334    H    ALA  38           HN       ALA  38 206.919   0.259   8.980
  335    HA   ALA  38           HA       ALA  38 206.199  -2.082  10.120
  336   1HB   ALA  38          HB1       ALA  38 208.248  -1.702   8.797
  337   2HB   ALA  38          HB2       ALA  38 208.534  -2.667  10.247
  338   3HB   ALA  38          HB3       ALA  38 208.995  -0.960  10.219
  339    HA   PRO  39           HA       PRO  39 205.741  -1.593  14.504
  340   1HB   PRO  39          HB2       PRO  39 206.738  -4.108  15.194
  341   2HB   PRO  39          HB1       PRO  39 205.052  -3.737  14.806
  342   1HG   PRO  39          HG2       PRO  39 207.197  -4.859  13.082
  343   2HG   PRO  39          HG1       PRO  39 205.477  -5.270  13.137
  344   1HD   PRO  39          HD2       PRO  39 206.465  -3.765  11.175
  345   2HD   PRO  39          HD1       PRO  39 204.874  -3.403  11.880
  346    H    LYS  40           HN       LYS  40 207.020  -1.157  16.275
  347    HA   LYS  40           HA       LYS  40 208.878  -0.675  17.488
  348   1HB   LYS  40          HB2       LYS  40 210.143  -2.679  15.621
  349   2HB   LYS  40          HB1       LYS  40 211.022  -1.892  16.922
  350   1HG   LYS  40          HG2       LYS  40 210.409  -3.769  18.020
  351   2HG   LYS  40          HG1       LYS  40 208.966  -2.805  18.339
  352   1HD   LYS  40          HD2       LYS  40 208.532  -4.034  15.856
  353   2HD   LYS  40          HD1       LYS  40 209.228  -5.285  16.889
  354   1HE   LYS  40          HE2       LYS  40 207.525  -4.619  18.630
  355   2HE   LYS  40          HE1       LYS  40 206.757  -3.634  17.385
  356   1HZ   LYS  40          HZ1       LYS  40 205.604  -5.531  17.068
  357   2HZ   LYS  40          HZ2       LYS  40 206.823  -6.528  17.685
  358   3HZ   LYS  40          HZ3       LYS  40 206.933  -5.939  16.102
  359    H    ALA  41           HN       ALA  41 208.744  -0.065  14.108
  360    HA   ALA  41           HA       ALA  41 211.070   1.215  13.490
  361   1HB   ALA  41          HB1       ALA  41 209.531   1.013  11.749
  362   2HB   ALA  41          HB2       ALA  41 209.565   2.749  12.077
  363   3HB   ALA  41          HB3       ALA  41 208.238   1.764  12.683
  364    H    ARG  42           HN       ARG  42 211.991   3.132  13.972
  365    HA   ARG  42           HA       ARG  42 210.886   4.614  16.218
  366   1HB   ARG  42          HB2       ARG  42 213.596   5.032  14.971
  367   2HB   ARG  42          HB1       ARG  42 213.068   5.478  16.588
  368   1HG   ARG  42          HG2       ARG  42 213.197   3.303  17.372
  369   2HG   ARG  42          HG1       ARG  42 213.116   2.609  15.751
  370   1HD   ARG  42          HD2       ARG  42 215.338   2.361  16.044
  371   2HD   ARG  42          HD1       ARG  42 215.377   4.047  15.529
  372    HE   ARG  42           HE       ARG  42 215.057   3.759  18.359
  373   1HH1  ARG  42          HH11      ARG  42 217.393   3.794  15.766
  374   2HH1  ARG  42          HH12      ARG  42 218.704   4.281  16.786
  375   1HH2  ARG  42          HH21      ARG  42 216.782   4.400  19.703
  376   2HH2  ARG  42          HH22      ARG  42 218.358   4.625  19.021
  377    H    ILE  43           HN       ILE  43 209.646   4.928  13.766
  378    HA   ILE  43           HA       ILE  43 210.207   7.762  13.151
  379    HB   ILE  43           HB       ILE  43 208.990   7.061  10.933
  380   1HG1  ILE  43          HG12      ILE  43 210.359   4.513  11.793
  381   2HG1  ILE  43          HG11      ILE  43 208.617   4.739  11.665
  382   1HG2  ILE  43          HG21      ILE  43 211.737   6.134  10.766
  383   2HG2  ILE  43          HG22      ILE  43 211.576   7.653  11.646
  384   3HG2  ILE  43          HG23      ILE  43 210.959   7.517  10.000
  385   1HD1  ILE  43          HD11      ILE  43 210.592   4.186   9.614
  386   2HD1  ILE  43          HD12      ILE  43 209.484   5.495   9.202
  387   3HD1  ILE  43          HD13      ILE  43 208.851   3.902   9.635
  388    H    GLY  44           HN       GLY  44 208.256   8.751  12.013
  389   1HA   GLY  44          HA2       GLY  44 206.091   8.702  13.876
  390   2HA   GLY  44          HA1       GLY  44 206.181   9.667  12.410
  391    H    ASP  45           HN       ASP  45 204.066   7.891  13.715
  392    HA   ASP  45           HA       ASP  45 203.627   5.760  11.851
  393   1HB   ASP  45          HB2       ASP  45 201.549   5.400  13.034
  394   2HB   ASP  45          HB1       ASP  45 202.828   5.703  14.206
  395    H    LEU  46           HN       LEU  46 202.540   5.770  10.005
  396    HA   LEU  46           HA       LEU  46 201.511   8.304   9.028
  397   1HB   LEU  46          HB2       LEU  46 202.561   5.830   7.865
  398   2HB   LEU  46          HB1       LEU  46 201.184   6.487   6.998
  399    HG   LEU  46           HG       LEU  46 203.751   7.951   7.597
  400   1HD1  LEU  46          HD11      LEU  46 204.439   6.672   5.880
  401   2HD1  LEU  46          HD12      LEU  46 203.559   7.862   4.919
  402   3HD1  LEU  46          HD13      LEU  46 202.795   6.325   5.336
  403   1HD2  LEU  46          HD21      LEU  46 201.959   9.067   5.599
  404   2HD2  LEU  46          HD22      LEU  46 202.797   9.852   6.939
  405   3HD2  LEU  46          HD23      LEU  46 201.257   9.039   7.217
  406    H    ASP  47           HN       ASP  47 199.422   8.788   8.843
  407    HA   ASP  47           HA       ASP  47 197.454   6.694   9.442
  408   1HB   ASP  47          HB2       ASP  47 195.901   8.625   9.840
  409   2HB   ASP  47          HB1       ASP  47 197.286   8.578  10.926
  410    H    LYS  48           HN       LYS  48 198.762   7.088   6.831
  411    HA   LYS  48           HA       LYS  48 196.396   7.744   5.202
  412   1HB   LYS  48          HB2       LYS  48 198.254   9.274   4.791
  413   2HB   LYS  48          HB1       LYS  48 199.330   7.919   4.486
  414   1HG   LYS  48          HG2       LYS  48 197.645   7.329   2.605
  415   2HG   LYS  48          HG1       LYS  48 197.133   9.009   2.784
  416   1HD   LYS  48          HD2       LYS  48 199.841   9.280   2.701
  417   2HD   LYS  48          HD1       LYS  48 199.598   7.893   1.637
  418   1HE   LYS  48          HE2       LYS  48 199.562  10.021   0.410
  419   2HE   LYS  48          HE1       LYS  48 198.030   9.158   0.291
  420   1HZ   LYS  48          HZ1       LYS  48 198.124  10.982   2.505
  421   2HZ   LYS  48          HZ2       LYS  48 196.956  10.814   1.294
  422   3HZ   LYS  48          HZ3       LYS  48 198.332  11.755   1.014
  423    H    LYS  49           HN       LYS  49 199.371   5.798   5.022
  424    HA   LYS  49           HA       LYS  49 199.779   3.670   4.382
  425   1HB   LYS  49          HB2       LYS  49 196.857   3.482   5.000
  426   2HB   LYS  49          HB1       LYS  49 197.641   2.136   4.181
  427   1HG   LYS  49          HG2       LYS  49 199.165   3.045   6.470
  428   2HG   LYS  49          HG1       LYS  49 197.522   2.574   6.907
  429   1HD   LYS  49          HD2       LYS  49 198.261   0.567   5.203
  430   2HD   LYS  49          HD1       LYS  49 199.781   0.934   6.019
  431   1HE   LYS  49          HE2       LYS  49 197.192  -0.026   7.178
  432   2HE   LYS  49          HE1       LYS  49 198.807  -0.695   7.365
  433   1HZ   LYS  49          HZ1       LYS  49 197.506   1.399   8.859
  434   2HZ   LYS  49          HZ2       LYS  49 199.100   1.754   8.422
  435   3HZ   LYS  49          HZ3       LYS  49 198.761   0.361   9.318
  436    H    LYS  50           HN       LYS  50 196.776   4.747   2.761
  437    HA   LYS  50           HA       LYS  50 197.303   3.353   0.366
  438   1HB   LYS  50          HB2       LYS  50 195.311   5.241   1.359
  439   2HB   LYS  50          HB1       LYS  50 195.650   5.453  -0.353
  440   1HG   LYS  50          HG2       LYS  50 195.266   2.668   0.465
  441   2HG   LYS  50          HG1       LYS  50 193.851   3.701   0.679
  442   1HD   LYS  50          HD2       LYS  50 193.730   2.752  -1.508
  443   2HD   LYS  50          HD1       LYS  50 194.155   4.456  -1.690
  444   1HE   LYS  50          HE2       LYS  50 196.338   3.982  -2.288
  445   2HE   LYS  50          HE1       LYS  50 196.304   2.390  -1.530
  446   1HZ   LYS  50          HZ1       LYS  50 195.511   1.450  -3.379
  447   2HZ   LYS  50          HZ2       LYS  50 196.040   2.846  -4.171
  448   3HZ   LYS  50          HZ3       LYS  50 194.423   2.707  -3.693
  449    H    TYR  51           HN       TYR  51 198.258   3.915  -1.514
  450    HA   TYR  51           HA       TYR  51 199.166   6.636  -1.962
  451   1HB   TYR  51          HB2       TYR  51 201.040   4.314  -1.564
  452   2HB   TYR  51          HB1       TYR  51 201.502   5.720  -2.518
  453    HD1  TYR  51           HD1      TYR  51 200.756   4.470   0.821
  454    HD2  TYR  51           HD2      TYR  51 201.891   7.867  -1.457
  455    HE1  TYR  51           HE1      TYR  51 201.407   5.631   2.893
  456    HE2  TYR  51           HE2      TYR  51 202.550   9.041   0.596
  457    HH   TYR  51           HH       TYR  51 203.316   8.296   2.980
  458    H    LEU  52           HN       LEU  52 198.623   7.081  -3.980
  459    HA   LEU  52           HA       LEU  52 198.409   4.892  -5.912
  460   1HB   LEU  52          HB2       LEU  52 196.707   6.945  -5.395
  461   2HB   LEU  52          HB1       LEU  52 197.630   7.625  -6.721
  462    HG   LEU  52           HG       LEU  52 196.993   5.806  -8.178
  463   1HD1  LEU  52          HD11      LEU  52 195.020   4.435  -6.703
  464   2HD1  LEU  52          HD12      LEU  52 196.481   4.450  -5.717
  465   3HD1  LEU  52          HD13      LEU  52 196.530   3.802  -7.355
  466   1HD2  LEU  52          HD21      LEU  52 194.370   6.373  -6.951
  467   2HD2  LEU  52          HD22      LEU  52 194.921   6.591  -8.612
  468   3HD2  LEU  52          HD23      LEU  52 195.352   7.774  -7.377
  469    H    VAL  53           HN       VAL  53 200.770   4.776  -5.926
  470    HA   VAL  53           HA       VAL  53 202.133   6.937  -7.333
  471    HB   VAL  53           HB       VAL  53 204.104   5.177  -7.063
  472   1HG1  VAL  53          HG11      VAL  53 203.525   7.522  -5.945
  473   2HG1  VAL  53          HG12      VAL  53 204.890   6.535  -5.421
  474   3HG1  VAL  53          HG13      VAL  53 203.378   6.502  -4.514
  475   1HG2  VAL  53          HG21      VAL  53 202.336   4.475  -4.725
  476   2HG2  VAL  53          HG22      VAL  53 203.937   3.830  -5.093
  477   3HG2  VAL  53          HG23      VAL  53 202.569   3.444  -6.137
  478    HA   PRO  54           HA       PRO  54 202.153   5.147 -11.352
  479   1HB   PRO  54          HB2       PRO  54 205.074   5.587 -11.486
  480   2HB   PRO  54          HB1       PRO  54 203.791   6.234 -12.514
  481   1HG   PRO  54          HG2       PRO  54 205.061   7.785 -10.746
  482   2HG   PRO  54          HG1       PRO  54 203.327   7.978 -11.067
  483   1HD   PRO  54          HD2       PRO  54 204.693   6.653  -8.757
  484   2HD   PRO  54          HD1       PRO  54 203.245   7.681  -8.773
  485    H    SER  55           HN       SER  55 203.893   3.730 -12.723
  486    HA   SER  55           HA       SER  55 204.427   1.376 -11.035
  487   1HB   SER  55          HB2       SER  55 202.972   1.638 -13.486
  488   2HB   SER  55          HB1       SER  55 204.379   0.613 -13.767
  489    HG   SER  55           HG       SER  55 203.515  -0.889 -12.574
  490    H    ASP  56           HN       ASP  56 205.885   3.817 -12.823
  491    HA   ASP  56           HA       ASP  56 208.295   2.211 -13.307
  492   1HB   ASP  56          HB2       ASP  56 207.079   3.791 -15.087
  493   2HB   ASP  56          HB1       ASP  56 208.069   5.015 -14.296
  494    H    LEU  57           HN       LEU  57 206.902   4.299 -11.120
  495    HA   LEU  57           HA       LEU  57 208.995   5.993 -10.395
  496   1HB   LEU  57          HB2       LEU  57 206.591   6.107  -9.629
  497   2HB   LEU  57          HB1       LEU  57 206.970   4.814  -8.503
  498    HG   LEU  57           HG       LEU  57 208.869   6.432  -7.723
  499   1HD1  LEU  57          HD11      LEU  57 208.117   7.988  -9.689
  500   2HD1  LEU  57          HD12      LEU  57 208.654   8.664  -8.153
  501   3HD1  LEU  57          HD13      LEU  57 206.932   8.545  -8.508
  502   1HD2  LEU  57          HD21      LEU  57 206.732   5.649  -6.529
  503   2HD2  LEU  57          HD22      LEU  57 206.088   7.234  -6.959
  504   3HD2  LEU  57          HD23      LEU  57 207.532   7.112  -5.951
  505    H    THR  58           HN       THR  58 210.978   5.397  -9.809
  506    HA   THR  58           HA       THR  58 211.598   2.792  -8.878
  507    HB   THR  58           HB       THR  58 213.863   3.731  -8.447
  508    HG1  THR  58           HG1      THR  58 213.203   5.846  -7.907
  509   1HG2  THR  58          HG21      THR  58 214.167   3.184 -10.559
  510   2HG2  THR  58          HG22      THR  58 213.761   4.847 -10.990
  511   3HG2  THR  58          HG23      THR  58 212.503   3.608 -10.967
  512    H    VAL  59           HN       VAL  59 212.435   2.151  -6.892
  513    HA   VAL  59           HA       VAL  59 210.944   2.837  -4.669
  514    HB   VAL  59           HB       VAL  59 213.549   1.418  -5.032
  515   1HG1  VAL  59          HG11      VAL  59 212.293   2.093  -2.374
  516   2HG1  VAL  59          HG12      VAL  59 213.912   2.519  -2.931
  517   3HG1  VAL  59          HG13      VAL  59 213.507   0.834  -2.601
  518   1HG2  VAL  59          HG21      VAL  59 211.006   0.602  -5.305
  519   2HG2  VAL  59          HG22      VAL  59 211.272   0.211  -3.605
  520   3HG2  VAL  59          HG23      VAL  59 212.331  -0.467  -4.843
  521    H    GLY  60           HN       GLY  60 213.957   4.200  -5.850
  522   1HA   GLY  60          HA2       GLY  60 214.711   5.647  -3.559
  523   2HA   GLY  60          HA1       GLY  60 215.135   6.069  -5.213
  524    H    GLN  61           HN       GLN  61 212.436   6.347  -6.136
  525    HA   GLN  61           HA       GLN  61 211.943   9.057  -5.348
  526   1HB   GLN  61          HB2       GLN  61 210.420   7.180  -7.138
  527   2HB   GLN  61          HB1       GLN  61 210.041   8.886  -6.920
  528   1HG   GLN  61          HG2       GLN  61 212.276   9.461  -7.723
  529   2HG   GLN  61          HG1       GLN  61 212.597   7.753  -8.003
  530   1HE2  GLN  61          HE21      GLN  61 210.231   6.917  -9.080
  531   2HE2  GLN  61          HE22      GLN  61 209.969   7.677 -10.610
  532    H    PHE  62           HN       PHE  62 210.173   5.998  -5.058
  533    HA   PHE  62           HA       PHE  62 207.916   6.859  -3.733
  534   1HB   PHE  62          HB2       PHE  62 208.544   4.494  -4.537
  535   2HB   PHE  62          HB1       PHE  62 209.307   4.305  -2.961
  536    HD1  PHE  62           HD1      PHE  62 206.150   6.045  -3.850
  537    HD2  PHE  62           HD2      PHE  62 207.979   2.770  -1.845
  538    HE1  PHE  62           HE1      PHE  62 203.975   5.429  -2.884
  539    HE2  PHE  62           HE2      PHE  62 205.806   2.147  -0.874
  540    HZ   PHE  62           HZ       PHE  62 203.802   3.481  -1.396
  541    H    TYR  63           HN       TYR  63 211.081   6.064  -2.379
  542    HA   TYR  63           HA       TYR  63 210.531   6.231   0.333
  543   1HB   TYR  63          HB2       TYR  63 212.924   6.661  -1.370
  544   2HB   TYR  63          HB1       TYR  63 212.997   7.318   0.260
  545    HD1  TYR  63           HD1      TYR  63 213.769   4.586  -1.684
  546    HD2  TYR  63           HD2      TYR  63 212.138   5.552   2.116
  547    HE1  TYR  63           HE1      TYR  63 214.428   2.368  -0.846
  548    HE2  TYR  63           HE2      TYR  63 212.790   3.350   2.971
  549    HH   TYR  63           HH       TYR  63 213.894   0.824   0.899
  550    H    PHE  64           HN       PHE  64 212.091   8.771  -1.528
  551    HA   PHE  64           HA       PHE  64 211.979  10.890   0.122
  552   1HB   PHE  64          HB2       PHE  64 213.025  11.310  -1.902
  553   2HB   PHE  64          HB1       PHE  64 211.695  10.652  -2.844
  554    HD1  PHE  64           HD1      PHE  64 212.690  13.559  -0.764
  555    HD2  PHE  64           HD2      PHE  64 210.095  12.050  -3.781
  556    HE1  PHE  64           HE1      PHE  64 211.868  15.838  -1.190
  557    HE2  PHE  64           HE2      PHE  64 209.268  14.329  -4.213
  558    HZ   PHE  64           HZ       PHE  64 210.156  16.226  -2.917
  559    H    LEU  65           HN       LEU  65 209.219   9.689  -1.760
  560    HA   LEU  65           HA       LEU  65 207.511  11.846  -1.092
  561   1HB   LEU  65          HB2       LEU  65 206.145  10.892  -2.558
  562   2HB   LEU  65          HB1       LEU  65 207.422   9.723  -2.835
  563    HG   LEU  65           HG       LEU  65 206.389   8.381  -0.954
  564   1HD1  LEU  65          HD11      LEU  65 204.847  10.607  -0.605
  565   2HD1  LEU  65          HD12      LEU  65 204.441   8.998  -0.008
  566   3HD1  LEU  65          HD13      LEU  65 203.769   9.565  -1.535
  567   1HD2  LEU  65          HD21      LEU  65 206.236   7.932  -3.431
  568   2HD2  LEU  65          HD22      LEU  65 204.664   8.728  -3.396
  569   3HD2  LEU  65          HD23      LEU  65 204.929   7.261  -2.455
  570    H    ILE  66           HN       ILE  66 208.113   8.685   0.340
  571    HA   ILE  66           HA       ILE  66 206.084   8.940   2.342
  572    HB   ILE  66           HB       ILE  66 208.460   7.090   2.156
  573   1HG1  ILE  66          HG12      ILE  66 206.882   6.781   0.327
  574   2HG1  ILE  66          HG11      ILE  66 206.795   5.418   1.438
  575   1HG2  ILE  66          HG21      ILE  66 208.019   6.751   4.337
  576   2HG2  ILE  66          HG22      ILE  66 206.678   5.784   3.718
  577   3HG2  ILE  66          HG23      ILE  66 206.403   7.451   4.227
  578   1HD1  ILE  66          HD11      ILE  66 204.885   7.718   1.627
  579   2HD1  ILE  66          HD12      ILE  66 204.720   6.082   2.266
  580   3HD1  ILE  66          HD13      ILE  66 204.614   6.366   0.529
  581    H    ARG  67           HN       ARG  67 209.554   9.507   2.156
  582    HA   ARG  67           HA       ARG  67 210.307   9.830   4.753
  583   1HB   ARG  67          HB2       ARG  67 211.331  10.548   2.239
  584   2HB   ARG  67          HB1       ARG  67 211.349  12.031   3.183
  585   1HG   ARG  67          HG2       ARG  67 213.105  11.354   4.351
  586   2HG   ARG  67          HG1       ARG  67 212.344   9.806   4.724
  587   1HD   ARG  67          HD2       ARG  67 214.372   9.386   3.524
  588   2HD   ARG  67          HD1       ARG  67 213.009   9.003   2.470
  589    HE   ARG  67           HE       ARG  67 213.579  11.554   1.807
  590   1HH1  ARG  67          HH11      ARG  67 215.555   8.690   2.086
  591   2HH1  ARG  67          HH12      ARG  67 216.678   9.196   0.868
  592   1HH2  ARG  67          HH21      ARG  67 215.055  12.220   0.206
  593   2HH2  ARG  67          HH22      ARG  67 216.396  11.200  -0.199
  594    H    LYS  68           HN       LYS  68 208.710  12.321   2.758
  595    HA   LYS  68           HA       LYS  68 208.657  14.270   4.822
  596   1HB   LYS  68          HB2       LYS  68 206.822  14.041   2.435
  597   2HB   LYS  68          HB1       LYS  68 207.122  15.484   3.395
  598   1HG   LYS  68          HG2       LYS  68 209.253  15.775   2.522
  599   2HG   LYS  68          HG1       LYS  68 209.361  14.097   1.981
  600   1HD   LYS  68          HD2       LYS  68 207.139  15.551   0.781
  601   2HD   LYS  68          HD1       LYS  68 208.715  16.253   0.404
  602   1HE   LYS  68          HE2       LYS  68 209.503  14.174  -0.481
  603   2HE   LYS  68          HE1       LYS  68 208.068  13.336   0.104
  604   1HZ   LYS  68          HZ1       LYS  68 208.136  15.402  -2.026
  605   2HZ   LYS  68          HZ2       LYS  68 206.731  14.675  -1.431
  606   3HZ   LYS  68          HZ3       LYS  68 207.882  13.744  -2.248
  607    H    ARG  69           HN       ARG  69 206.324  11.891   3.644
  608    HA   ARG  69           HA       ARG  69 204.124  12.551   5.190
  609   1HB   ARG  69          HB2       ARG  69 205.041   9.756   4.498
  610   2HB   ARG  69          HB1       ARG  69 203.404  10.249   4.907
  611   1HG   ARG  69          HG2       ARG  69 204.542  11.739   2.677
  612   2HG   ARG  69          HG1       ARG  69 204.408  10.005   2.380
  613   1HD   ARG  69          HD2       ARG  69 202.189  10.103   2.214
  614   2HD   ARG  69          HD1       ARG  69 202.045  11.105   3.658
  615    HE   ARG  69           HE       ARG  69 202.990  12.505   1.321
  616   1HH1  ARG  69          HH11      ARG  69 200.185  11.512   3.147
  617   2HH1  ARG  69          HH12      ARG  69 199.175  12.768   2.515
  618   1HH2  ARG  69          HH21      ARG  69 201.661  14.157   0.489
  619   2HH2  ARG  69          HH22      ARG  69 200.012  14.270   1.006
  620    H    ILE  70           HN       ILE  70 207.125  11.104   6.123
  621    HA   ILE  70           HA       ILE  70 206.070  10.480   8.789
  622    HB   ILE  70           HB       ILE  70 208.715   9.608   8.769
  623   1HG1  ILE  70          HG12      ILE  70 207.437   8.595   6.241
  624   2HG1  ILE  70          HG11      ILE  70 208.538   9.966   6.231
  625   1HG2  ILE  70          HG21      ILE  70 206.273   8.629   9.405
  626   2HG2  ILE  70          HG22      ILE  70 207.766   7.691   9.427
  627   3HG2  ILE  70          HG23      ILE  70 206.698   7.620   8.024
  628   1HD1  ILE  70          HD11      ILE  70 209.361   7.493   5.824
  629   2HD1  ILE  70          HD12      ILE  70 209.448   7.502   7.585
  630   3HD1  ILE  70          HD13      ILE  70 210.357   8.692   6.650
  631    H    HIS  71           HN       HIS  71 207.868  12.781   7.105
  632    HA   HIS  71           HA       HIS  71 208.731  14.761   7.787
  633   1HB   HIS  71          HB2       HIS  71 208.426  13.811  10.641
  634   2HB   HIS  71          HB1       HIS  71 208.707  15.459  10.097
  635    HD1  HIS  71           HD1      HIS  71 206.695  16.848   9.544
  636    HD2  HIS  71           HD2      HIS  71 205.776  12.820   9.994
  637    HE1  HIS  71           HE1      HIS  71 204.184  16.721   9.501
  638    HE2  HIS  71           HE2      HIS  71 203.651  14.284   9.846
  639    H    LEU  72           HN       LEU  72 210.365  13.078   6.811
  640    HA   LEU  72           HA       LEU  72 212.682  12.927   8.626
  641   1HB   LEU  72          HB2       LEU  72 211.771  11.271   6.351
  642   2HB   LEU  72          HB1       LEU  72 213.504  11.493   6.542
  643    HG   LEU  72           HG       LEU  72 213.228  10.730   8.928
  644   1HD1  LEU  72          HD11      LEU  72 211.171   9.281   9.260
  645   2HD1  LEU  72          HD12      LEU  72 210.476  10.158   7.897
  646   3HD1  LEU  72          HD13      LEU  72 210.956  11.029   9.354
  647   1HD2  LEU  72          HD21      LEU  72 213.152   9.169   6.478
  648   2HD2  LEU  72          HD22      LEU  72 212.535   8.287   7.876
  649   3HD2  LEU  72          HD23      LEU  72 214.159   8.980   7.915
  650    H    ARG  73           HN       ARG  73 214.660  13.719   7.968
  651    HA   ARG  73           HA       ARG  73 214.490  15.808   5.918
  652   1HB   ARG  73          HB2       ARG  73 216.697  16.549   7.015
  653   2HB   ARG  73          HB1       ARG  73 215.208  16.771   7.922
  654   1HG   ARG  73          HG2       ARG  73 216.755  14.264   8.327
  655   2HG   ARG  73          HG1       ARG  73 217.356  15.761   9.043
  656   1HD   ARG  73          HD2       ARG  73 214.579  15.632   9.565
  657   2HD   ARG  73          HD1       ARG  73 215.254  14.048   9.946
  658    HE   ARG  73           HE       ARG  73 215.716  16.521  11.348
  659   1HH1  ARG  73          HH11      ARG  73 216.949  13.324  10.683
  660   2HH1  ARG  73          HH12      ARG  73 217.893  13.250  12.132
  661   1HH2  ARG  73          HH21      ARG  73 216.959  16.426  13.254
  662   2HH2  ARG  73          HH22      ARG  73 217.899  15.011  13.592
  663    H    ALA  74           HN       ALA  74 214.705  13.271   4.884
  664    HA   ALA  74           HA       ALA  74 215.869  12.084   3.330
  665   1HB   ALA  74          HB1       ALA  74 216.582  14.670   2.866
  666   2HB   ALA  74          HB2       ALA  74 217.058  13.295   1.869
  667   3HB   ALA  74          HB3       ALA  74 218.152  13.906   3.111
  668    H    GLU  75           HN       GLU  75 218.503  13.702   5.120
  669    HA   GLU  75           HA       GLU  75 220.242  11.569   5.244
  670   1HB   GLU  75          HB2       GLU  75 219.772  13.774   7.254
  671   2HB   GLU  75          HB1       GLU  75 221.121  12.650   7.348
  672   1HG   GLU  75          HG2       GLU  75 221.062  13.740   4.729
  673   2HG   GLU  75          HG1       GLU  75 220.922  15.065   5.884
  674    H    ASP  76           HN       ASP  76 217.359  12.177   7.082
  675    HA   ASP  76           HA       ASP  76 217.708  10.444   9.243
  676   1HB   ASP  76          HB2       ASP  76 215.766  12.124   8.578
  677   2HB   ASP  76          HB1       ASP  76 215.028  10.648   7.970
  678    H    ALA  77           HN       ALA  77 216.569   8.407   9.578
  679    HA   ALA  77           HA       ALA  77 217.268   6.596   7.419
  680   1HB   ALA  77          HB1       ALA  77 216.930   4.814   9.060
  681   2HB   ALA  77          HB2       ALA  77 216.415   6.015  10.245
  682   3HB   ALA  77          HB3       ALA  77 218.067   6.039   9.625
  683    H    LEU  78           HN       LEU  78 215.944   5.344   6.308
  684    HA   LEU  78           HA       LEU  78 213.222   4.846   6.993
  685   1HB   LEU  78          HB2       LEU  78 212.940   7.121   6.198
  686   2HB   LEU  78          HB1       LEU  78 213.810   6.746   4.724
  687    HG   LEU  78           HG       LEU  78 212.004   5.196   4.071
  688   1HD1  LEU  78          HD11      LEU  78 210.858   6.093   6.690
  689   2HD1  LEU  78          HD12      LEU  78 211.072   4.455   6.074
  690   3HD1  LEU  78          HD13      LEU  78 209.830   5.501   5.385
  691   1HD2  LEU  78          HD21      LEU  78 210.329   6.903   3.561
  692   2HD2  LEU  78          HD22      LEU  78 211.965   7.505   3.289
  693   3HD2  LEU  78          HD23      LEU  78 211.077   7.989   4.733
  694    H    PHE  79           HN       PHE  79 213.237   2.750   6.480
  695    HA   PHE  79           HA       PHE  79 214.180   1.999   3.790
  696   1HB   PHE  79          HB2       PHE  79 214.307   0.267   6.269
  697   2HB   PHE  79          HB1       PHE  79 214.913  -0.146   4.670
  698    HD1  PHE  79           HD1      PHE  79 217.097   0.359   4.067
  699    HD2  PHE  79           HD2      PHE  79 215.373   2.242   7.472
  700    HE1  PHE  79           HE1      PHE  79 219.297   1.288   4.661
  701    HE2  PHE  79           HE2      PHE  79 217.569   3.176   8.071
  702    HZ   PHE  79           HZ       PHE  79 219.534   2.701   6.665
  703    H    PHE  80           HN       PHE  80 212.758   0.928   2.546
  704    HA   PHE  80           HA       PHE  80 210.108   0.489   3.590
  705   1HB   PHE  80          HB2       PHE  80 211.312   0.250   0.840
  706   2HB   PHE  80          HB1       PHE  80 209.662  -0.261   1.180
  707    HD1  PHE  80           HD1      PHE  80 210.695   1.950  -0.723
  708    HD2  PHE  80           HD2      PHE  80 209.160   2.004   3.247
  709    HE1  PHE  80           HE1      PHE  80 209.923   4.263  -1.051
  710    HE2  PHE  80           HE2      PHE  80 208.389   4.315   2.926
  711    HZ   PHE  80           HZ       PHE  80 208.770   5.447   0.775
  712    H    PHE  81           HN       PHE  81 208.979  -1.476   3.580
  713    HA   PHE  81           HA       PHE  81 210.573  -3.898   3.221
  714   1HB   PHE  81          HB2       PHE  81 209.000  -3.257   5.718
  715   2HB   PHE  81          HB1       PHE  81 209.770  -4.803   5.373
  716    HD1  PHE  81           HD1      PHE  81 210.318  -1.300   6.265
  717    HD2  PHE  81           HD2      PHE  81 212.158  -5.062   5.524
  718    HE1  PHE  81           HE1      PHE  81 212.415  -0.464   7.246
  719    HE2  PHE  81           HE2      PHE  81 214.256  -4.238   6.509
  720    HZ   PHE  81           HZ       PHE  81 214.390  -1.933   7.368
  721    H    VAL  82           HN       VAL  82 209.392  -4.506   1.446
  722    HA   VAL  82           HA       VAL  82 206.497  -4.734   1.676
  723    HB   VAL  82           HB       VAL  82 208.084  -5.565  -0.702
  724   1HG1  VAL  82          HG11      VAL  82 205.937  -4.725  -1.818
  725   2HG1  VAL  82          HG12      VAL  82 205.251  -4.764  -0.193
  726   3HG1  VAL  82          HG13      VAL  82 205.869  -6.245  -0.924
  727   1HG2  VAL  82          HG21      VAL  82 208.768  -3.271  -0.077
  728   2HG2  VAL  82          HG22      VAL  82 207.078  -2.779  -0.190
  729   3HG2  VAL  82          HG23      VAL  82 207.928  -3.347  -1.626
  730    H    ASN  83           HN       ASN  83 205.665  -6.530   2.509
  731    HA   ASN  83           HA       ASN  83 205.360  -8.713   3.074
  732   1HB   ASN  83          HB2       ASN  83 207.121  -9.140   0.650
  733   2HB   ASN  83          HB1       ASN  83 206.357 -10.452   1.541
  734   1HD2  ASN  83          HD21      ASN  83 206.077  -8.609  -1.111
  735   2HD2  ASN  83          HD22      ASN  83 204.366  -8.659  -1.344
  736    H    ASN  84           HN       ASN  84 207.555  -7.069   4.121
  737    HA   ASN  84           HA       ASN  84 209.066  -7.348   5.805
  738   1HB   ASN  84          HB2       ASN  84 207.883  -9.769   5.865
  739   2HB   ASN  84          HB1       ASN  84 209.503 -10.247   5.369
  740   1HD2  ASN  84          HD21      ASN  84 207.521  -9.528   7.950
  741   2HD2  ASN  84          HD22      ASN  84 208.729  -9.357   9.173
  742    H    VAL  85           HN       VAL  85 209.649  -7.044   2.863
  743    HA   VAL  85           HA       VAL  85 212.502  -7.739   3.036
  744    HB   VAL  85           HB       VAL  85 210.991  -7.820   0.452
  745   1HG1  VAL  85          HG11      VAL  85 213.052  -9.457   0.086
  746   2HG1  VAL  85          HG12      VAL  85 213.743  -8.438   1.350
  747   3HG1  VAL  85          HG13      VAL  85 213.178  -7.714  -0.156
  748   1HG2  VAL  85          HG21      VAL  85 210.070  -9.489   2.069
  749   2HG2  VAL  85          HG22      VAL  85 211.671 -10.225   2.130
  750   3HG2  VAL  85          HG23      VAL  85 210.773 -10.193   0.612
  751    H    ILE  86           HN       ILE  86 213.919  -6.297   2.072
  752    HA   ILE  86           HA       ILE  86 212.872  -3.610   1.713
  753    HB   ILE  86           HB       ILE  86 215.727  -4.582   1.780
  754   1HG1  ILE  86          HG12      ILE  86 213.790  -3.691   3.864
  755   2HG1  ILE  86          HG11      ILE  86 215.034  -4.934   3.946
  756   1HG2  ILE  86          HG21      ILE  86 214.968  -1.750   2.285
  757   2HG2  ILE  86          HG22      ILE  86 215.001  -2.314   0.614
  758   3HG2  ILE  86          HG23      ILE  86 216.452  -2.419   1.610
  759   1HD1  ILE  86          HD11      ILE  86 216.744  -3.211   4.116
  760   2HD1  ILE  86          HD12      ILE  86 215.544  -3.060   5.398
  761   3HD1  ILE  86          HD13      ILE  86 215.500  -1.966   4.019
  762    HA   PRO  87           HA       PRO  87 213.014  -4.358  -2.736
  763   1HB   PRO  87          HB2       PRO  87 211.836  -2.029  -3.465
  764   2HB   PRO  87          HB1       PRO  87 210.918  -3.408  -2.846
  765   1HG   PRO  87          HG2       PRO  87 211.829  -0.941  -1.414
  766   2HG   PRO  87          HG1       PRO  87 210.262  -1.768  -1.334
  767   1HD   PRO  87          HD2       PRO  87 212.179  -2.072   0.561
  768   2HD   PRO  87          HD1       PRO  87 211.035  -3.362   0.136
  769    HA   PRO  88           HA       PRO  88 216.677  -2.097  -3.780
  770   1HB   PRO  88          HB2       PRO  88 216.025  -2.427  -6.611
  771   2HB   PRO  88          HB1       PRO  88 217.321  -3.172  -5.671
  772   1HG   PRO  88          HG2       PRO  88 215.211  -4.584  -6.597
  773   2HG   PRO  88          HG1       PRO  88 216.028  -4.981  -5.075
  774   1HD   PRO  88          HD2       PRO  88 213.468  -3.489  -5.515
  775   2HD   PRO  88          HD1       PRO  88 213.854  -4.738  -4.311
  776    H    THR  89           HN       THR  89 217.100   0.020  -3.948
  777    HA   THR  89           HA       THR  89 215.160   1.956  -4.390
  778    HB   THR  89           HB       THR  89 217.174   3.499  -4.776
  779    HG1  THR  89           HG1      THR  89 218.515   1.649  -5.451
  780   1HG2  THR  89          HG21      THR  89 216.132   3.177  -2.564
  781   2HG2  THR  89          HG22      THR  89 217.871   3.465  -2.484
  782   3HG2  THR  89          HG23      THR  89 217.237   1.833  -2.273
  783    H    SER  90           HN       SER  90 217.029   0.158  -6.665
  784    HA   SER  90           HA       SER  90 216.627   2.001  -8.849
  785   1HB   SER  90          HB2       SER  90 218.544   0.209  -8.447
  786   2HB   SER  90          HB1       SER  90 217.422  -0.838  -9.314
  787    HG   SER  90           HG       SER  90 218.568   0.073 -10.905
  788    H    ALA  91           HN       ALA  91 215.090  -0.876  -7.579
  789    HA   ALA  91           HA       ALA  91 213.552  -1.586  -9.812
  790   1HB   ALA  91          HB1       ALA  91 212.103  -2.767  -8.238
  791   2HB   ALA  91          HB2       ALA  91 212.876  -1.927  -6.892
  792   3HB   ALA  91          HB3       ALA  91 213.809  -3.052  -7.882
  793    H    THR  92           HN       THR  92 211.356  -1.193 -10.304
  794    HA   THR  92           HA       THR  92 210.466   1.477  -9.488
  795    HB   THR  92           HB       THR  92 209.200   1.568 -11.496
  796    HG1  THR  92           HG1      THR  92 209.555  -1.217 -11.512
  797   1HG2  THR  92          HG21      THR  92 210.839   1.688 -13.014
  798   2HG2  THR  92          HG22      THR  92 211.387   0.039 -12.710
  799   3HG2  THR  92          HG23      THR  92 211.879   1.344 -11.631
  800    H    MET  93           HN       MET  93 208.414   1.874  -8.709
  801    HA   MET  93           HA       MET  93 207.270   0.142  -6.938
  802   1HB   MET  93          HB2       MET  93 205.977   2.349  -8.537
  803   2HB   MET  93          HB1       MET  93 205.153   1.504  -7.235
  804   1HG   MET  93          HG2       MET  93 207.592   3.245  -7.046
  805   2HG   MET  93          HG1       MET  93 205.996   3.541  -6.367
  806   1HE   MET  93          HE1       MET  93 205.859   0.541  -3.762
  807   2HE   MET  93          HE2       MET  93 205.947   0.012  -5.443
  808   3HE   MET  93          HE3       MET  93 204.931   1.384  -5.002
  809    H    GLY  94           HN       GLY  94 206.536   0.460 -10.386
  810   1HA   GLY  94          HA2       GLY  94 204.311  -1.252 -10.471
  811   2HA   GLY  94          HA1       GLY  94 205.393  -0.925 -11.819
  812    H    GLN  95           HN       GLN  95 207.777  -1.941 -10.756
  813    HA   GLN  95           HA       GLN  95 207.536  -4.671 -11.369
  814   1HB   GLN  95          HB2       GLN  95 209.720  -3.052 -10.085
  815   2HB   GLN  95          HB1       GLN  95 209.871  -4.789 -10.309
  816   1HG   GLN  95          HG2       GLN  95 209.078  -3.248 -12.689
  817   2HG   GLN  95          HG1       GLN  95 210.717  -2.980 -12.093
  818   1HE2  GLN  95          HE21      GLN  95 212.233  -4.358 -12.699
  819   2HE2  GLN  95          HE22      GLN  95 211.963  -5.907 -13.416
  820    H    LEU  96           HN       LEU  96 207.625  -2.915  -8.328
  821    HA   LEU  96           HA       LEU  96 207.735  -5.200  -6.650
  822   1HB   LEU  96          HB2       LEU  96 206.589  -2.477  -6.018
  823   2HB   LEU  96          HB1       LEU  96 207.074  -3.695  -4.854
  824    HG   LEU  96           HG       LEU  96 208.869  -2.087  -6.664
  825   1HD1  LEU  96          HD11      LEU  96 208.725  -2.301  -3.660
  826   2HD1  LEU  96          HD12      LEU  96 208.057  -0.980  -4.619
  827   3HD1  LEU  96          HD13      LEU  96 209.799  -1.256  -4.592
  828   1HD2  LEU  96          HD21      LEU  96 209.554  -4.500  -6.464
  829   2HD2  LEU  96          HD22      LEU  96 209.731  -4.230  -4.731
  830   3HD2  LEU  96          HD23      LEU  96 210.733  -3.330  -5.872
  831    H    TYR  97           HN       TYR  97 205.103  -3.180  -7.873
  832    HA   TYR  97           HA       TYR  97 202.990  -4.478  -6.557
  833   1HB   TYR  97          HB2       TYR  97 202.661  -2.328  -7.633
  834   2HB   TYR  97          HB1       TYR  97 203.016  -3.030  -9.210
  835    HD1  TYR  97           HD1      TYR  97 201.451  -4.922 -10.019
  836    HD2  TYR  97           HD2      TYR  97 200.470  -2.243  -6.867
  837    HE1  TYR  97           HE1      TYR  97 199.066  -5.454 -10.318
  838    HE2  TYR  97           HE2      TYR  97 198.084  -2.767  -7.153
  839    HH   TYR  97           HH       TYR  97 196.556  -3.745  -8.534
  840    H    GLN  98           HN       GLN  98 204.825  -5.310  -9.401
  841    HA   GLN  98           HA       GLN  98 202.924  -7.319 -10.242
  842   1HB   GLN  98          HB2       GLN  98 205.685  -6.658 -11.253
  843   2HB   GLN  98          HB1       GLN  98 204.580  -7.806 -11.997
  844   1HG   GLN  98          HG2       GLN  98 203.113  -5.455 -11.750
  845   2HG   GLN  98          HG1       GLN  98 204.717  -4.946 -12.274
  846   1HE2  GLN  98          HE21      GLN  98 205.144  -5.034 -14.362
  847   2HE2  GLN  98          HE22      GLN  98 204.242  -5.914 -15.544
  848    H    GLU  99           HN       GLU  99 205.793  -7.160  -8.289
  849    HA   GLU  99           HA       GLU  99 205.843 -10.105  -8.178
  850   1HB   GLU  99          HB2       GLU  99 208.046  -8.085  -7.928
  851   2HB   GLU  99          HB1       GLU  99 208.236  -9.739  -7.364
  852   1HG   GLU  99          HG2       GLU  99 207.358 -10.251  -9.821
  853   2HG   GLU  99          HG1       GLU  99 208.088  -8.673 -10.117
  854    H    HIS 100           HN       HIS 100 204.599  -7.712  -6.403
  855    HA   HIS 100           HA       HIS 100 205.184  -9.146  -3.915
  856   1HB   HIS 100          HB2       HIS 100 205.285  -6.146  -4.223
  857   2HB   HIS 100          HB1       HIS 100 205.306  -6.991  -2.681
  858    HD1  HIS 100           HD1      HIS 100 207.560  -7.461  -1.786
  859    HD2  HIS 100           HD2      HIS 100 207.607  -6.996  -5.915
  860    HE1  HIS 100           HE1      HIS 100 209.980  -7.612  -2.452
  861    HE2  HIS 100           HE2      HIS 100 209.991  -7.237  -4.944
  862    H    HIS 101           HN       HIS 101 202.878  -7.604  -5.912
  863    HA   HIS 101           HA       HIS 101 200.947  -6.907  -4.000
  864   1HB   HIS 101          HB2       HIS 101 199.392  -6.747  -5.773
  865   2HB   HIS 101          HB1       HIS 101 200.943  -6.293  -6.464
  866    HD1  HIS 101           HD1      HIS 101 198.096  -8.414  -7.059
  867    HD2  HIS 101           HD2      HIS 101 202.157  -8.611  -7.923
  868    HE1  HIS 101           HE1      HIS 101 198.312 -10.121  -8.893
  869    HE2  HIS 101           HE2      HIS 101 200.787 -10.291  -9.332
  870    H    GLU 102           HN       GLU 102 200.157  -8.217  -2.516
  871    HA   GLU 102           HA       GLU 102 199.923 -11.062  -2.986
  872   1HB   GLU 102          HB2       GLU 102 199.360  -9.296  -0.602
  873   2HB   GLU 102          HB1       GLU 102 199.017 -11.023  -0.606
  874   1HG   GLU 102          HG2       GLU 102 201.545 -11.149  -1.373
  875   2HG   GLU 102          HG1       GLU 102 201.616  -9.599  -0.536
  876    H    GLU 103           HN       GLU 103 198.372 -10.342  -4.829
  877    HA   GLU 103           HA       GLU 103 196.271 -10.404  -5.703
  878   1HB   GLU 103          HB2       GLU 103 196.234 -12.324  -3.851
  879   2HB   GLU 103          HB1       GLU 103 195.063 -11.243  -3.110
  880   1HG   GLU 103          HG2       GLU 103 193.475 -11.749  -4.596
  881   2HG   GLU 103          HG1       GLU 103 194.597 -11.696  -5.954
  882    H    ASP 104           HN       ASP 104 193.821  -9.681  -4.959
  883    HA   ASP 104           HA       ASP 104 192.460  -7.954  -4.287
  884   1HB   ASP 104          HB2       ASP 104 193.682  -8.250  -2.090
  885   2HB   ASP 104          HB1       ASP 104 194.761  -6.957  -2.609
  886    H    PHE 105           HN       PHE 105 195.017  -7.714  -6.235
  887    HA   PHE 105           HA       PHE 105 195.822  -6.154  -7.687
  888   1HB   PHE 105          HB2       PHE 105 193.133  -4.907  -7.091
  889   2HB   PHE 105          HB1       PHE 105 194.204  -4.378  -8.383
  890    HD1  PHE 105           HD1      PHE 105 191.352  -6.149  -7.817
  891    HD2  PHE 105           HD2      PHE 105 195.104  -6.575  -9.787
  892    HE1  PHE 105           HE1      PHE 105 190.370  -7.829  -9.320
  893    HE2  PHE 105           HE2      PHE 105 194.125  -8.256 -11.293
  894    HZ   PHE 105           HZ       PHE 105 191.756  -8.885 -11.062
  895    H    PHE 106           HN       PHE 106 196.013  -5.735  -4.622
  896    HA   PHE 106           HA       PHE 106 196.762  -2.900  -4.687
  897   1HB   PHE 106          HB2       PHE 106 195.332  -4.517  -2.733
  898   2HB   PHE 106          HB1       PHE 106 196.693  -3.658  -2.018
  899    HD1  PHE 106           HD1      PHE 106 194.610  -2.543  -4.848
  900    HD2  PHE 106           HD2      PHE 106 195.581  -2.042  -0.737
  901    HE1  PHE 106           HE1      PHE 106 193.263  -0.468  -4.780
  902    HE2  PHE 106           HE2      PHE 106 194.238   0.019  -0.660
  903    HZ   PHE 106           HZ       PHE 106 193.079   0.808  -2.683
  904    H    LEU 107           HN       LEU 107 198.657  -2.244  -3.753
  905    HA   LEU 107           HA       LEU 107 200.676  -4.341  -3.300
  906   1HB   LEU 107          HB2       LEU 107 201.173  -3.177  -5.345
  907   2HB   LEU 107          HB1       LEU 107 200.902  -1.617  -4.598
  908    HG   LEU 107           HG       LEU 107 203.287  -2.019  -5.009
  909   1HD1  LEU 107          HD11      LEU 107 202.272  -0.864  -2.893
  910   2HD1  LEU 107          HD12      LEU 107 204.003  -1.083  -3.103
  911   3HD1  LEU 107          HD13      LEU 107 203.093  -2.189  -2.074
  912   1HD2  LEU 107          HD21      LEU 107 202.649  -4.578  -3.739
  913   2HD2  LEU 107          HD22      LEU 107 204.118  -3.820  -3.123
  914   3HD2  LEU 107          HD23      LEU 107 203.955  -4.154  -4.846
  915    H    TYR 108           HN       TYR 108 200.788  -4.454  -1.085
  916    HA   TYR 108           HA       TYR 108 200.747  -1.920   0.387
  917   1HB   TYR 108          HB2       TYR 108 199.777  -2.999   2.157
  918   2HB   TYR 108          HB1       TYR 108 199.238  -4.050   0.857
  919    HD1  TYR 108           HD1      TYR 108 201.653  -5.695   0.372
  920    HD2  TYR 108           HD2      TYR 108 199.903  -4.308   3.974
  921    HE1  TYR 108           HE1      TYR 108 202.628  -7.615   1.564
  922    HE2  TYR 108           HE2      TYR 108 200.873  -6.222   5.198
  923    HH   TYR 108           HH       TYR 108 203.235  -8.284   3.791
  924    H    ILE 109           HN       ILE 109 202.364  -1.164   1.536
  925    HA   ILE 109           HA       ILE 109 204.859  -2.731   1.693
  926    HB   ILE 109           HB       ILE 109 204.536   0.154   0.881
  927   1HG1  ILE 109          HG12      ILE 109 204.893  -2.384  -0.628
  928   2HG1  ILE 109          HG11      ILE 109 203.928  -0.966  -1.001
  929   1HG2  ILE 109          HG21      ILE 109 207.004  -1.513   1.312
  930   2HG2  ILE 109          HG22      ILE 109 206.575   0.028   2.059
  931   3HG2  ILE 109          HG23      ILE 109 207.009  -0.033   0.352
  932   1HD1  ILE 109          HD11      ILE 109 205.779  -1.325  -2.578
  933   2HD1  ILE 109          HD12      ILE 109 206.921  -1.105  -1.247
  934   3HD1  ILE 109          HD13      ILE 109 205.877   0.228  -1.742
  935    H    ALA 110           HN       ALA 110 206.461  -1.750   3.198
  936    HA   ALA 110           HA       ALA 110 205.273  -0.204   5.404
  937   1HB   ALA 110          HB1       ALA 110 205.231  -2.402   6.266
  938   2HB   ALA 110          HB2       ALA 110 206.661  -1.641   6.962
  939   3HB   ALA 110          HB3       ALA 110 206.830  -2.769   5.617
  940    H    TYR 111           HN       TYR 111 206.906   0.828   6.759
  941    HA   TYR 111           HA       TYR 111 209.545   1.144   5.533
  942   1HB   TYR 111          HB2       TYR 111 209.386   3.538   5.401
  943   2HB   TYR 111          HB1       TYR 111 208.005   2.863   4.544
  944    HD1  TYR 111           HD1      TYR 111 205.785   3.289   5.275
  945    HD2  TYR 111           HD2      TYR 111 209.074   4.522   7.632
  946    HE1  TYR 111           HE1      TYR 111 204.256   4.596   6.688
  947    HE2  TYR 111           HE2      TYR 111 207.574   5.827   9.073
  948    HH   TYR 111           HH       TYR 111 205.012   6.948   8.525
  949    H    SER 112           HN       SER 112 211.110   1.289   7.052
  950    HA   SER 112           HA       SER 112 210.327   2.026   9.805
  951   1HB   SER 112          HB2       SER 112 210.681  -0.465   9.445
  952   2HB   SER 112          HB1       SER 112 212.379  -0.087   9.154
  953    HG   SER 112           HG       SER 112 212.647   0.396  11.213
  954    H    ASP 113           HN       ASP 113 212.215   2.585  11.176
  955    HA   ASP 113           HA       ASP 113 213.894   4.469   9.768
  956   1HB   ASP 113          HB2       ASP 113 212.807   5.047  11.924
  957   2HB   ASP 113          HB1       ASP 113 213.776   3.810  12.720
  958    H    GLU 114           HN       GLU 114 214.119   1.247  10.263
  959    HA   GLU 114           HA       GLU 114 217.064   1.315  10.273
  960   1HB   GLU 114          HB2       GLU 114 215.264  -0.650  11.698
  961   2HB   GLU 114          HB1       GLU 114 216.992  -0.888  11.470
  962   1HG   GLU 114          HG2       GLU 114 216.680   1.671  12.589
  963   2HG   GLU 114          HG1       GLU 114 215.618   0.591  13.491
  964    H    SER 115           HN       SER 115 217.879  -0.964   9.538
  965    HA   SER 115           HA       SER 115 216.771  -1.359   6.902
  966   1HB   SER 115          HB2       SER 115 218.685  -2.875   6.551
  967   2HB   SER 115          HB1       SER 115 219.199  -1.309   7.183
  968    HG   SER 115           HG       SER 115 219.370  -2.258   9.235
  969    H    VAL 116           HN       VAL 116 215.742  -2.501   9.737
  970    HA   VAL 116           HA       VAL 116 215.051  -5.139   8.648
  971    HB   VAL 116           HB       VAL 116 214.354  -5.013  11.406
  972   1HG1  VAL 116          HG11      VAL 116 214.815  -7.084  10.411
  973   2HG1  VAL 116          HG12      VAL 116 216.150  -6.817  11.532
  974   3HG1  VAL 116          HG13      VAL 116 216.382  -6.546   9.805
  975   1HG2  VAL 116          HG21      VAL 116 215.982  -3.208  11.656
  976   2HG2  VAL 116          HG22      VAL 116 217.225  -4.214  10.913
  977   3HG2  VAL 116          HG23      VAL 116 216.533  -4.674  12.467
  978    H    TYR 117           HN       TYR 117 212.883  -5.736   8.699
  979    HA   TYR 117           HA       TYR 117 210.985  -3.770   8.243
  980   1HB   TYR 117          HB2       TYR 117 210.458  -5.958   7.493
  981   2HB   TYR 117          HB1       TYR 117 210.674  -6.646   9.103
  982    HD1  TYR 117           HD1      TYR 117 208.686  -7.335  10.069
  983    HD2  TYR 117           HD2      TYR 117 208.696  -3.843   7.650
  984    HE1  TYR 117           HE1      TYR 117 206.311  -6.999  10.558
  985    HE2  TYR 117           HE2      TYR 117 206.317  -3.501   8.113
  986    HH   TYR 117           HH       TYR 117 204.381  -4.738   8.835
  987    H    GLY 118           HN       GLY 118 211.403  -2.240   9.979
  988   1HA   GLY 118          HA2       GLY 118 210.855  -1.222  11.965
  989   2HA   GLY 118          HA1       GLY 118 209.455  -2.278  11.976
  990    H    LEU 119           HN       LEU 119 209.713  -4.404  12.843
  991    HA   LEU 119           HA       LEU 119 210.070  -5.113  15.144
  992   1HB   LEU 119          HB2       LEU 119 211.460  -6.336  12.867
  993   2HB   LEU 119          HB1       LEU 119 212.040  -6.842  14.445
  994    HG   LEU 119           HG       LEU 119 209.507  -7.217  14.970
  995   1HD1  LEU 119          HD11      LEU 119 209.501  -7.474  11.963
  996   2HD1  LEU 119          HD12      LEU 119 208.733  -6.174  12.871
  997   3HD1  LEU 119          HD13      LEU 119 208.166  -7.832  13.060
  998   1HD2  LEU 119          HD21      LEU 119 210.425  -9.281  13.080
  999   2HD2  LEU 119          HD22      LEU 119 209.951  -9.417  14.773
 1000   3HD2  LEU 119          HD23      LEU 119 211.570  -8.857  14.354
  Start of MODEL   15
    1   1H    GLY   1          HT1       GLY   1 204.694 -13.103   4.997
    2   2H    GLY   1          HT2       GLY   1 206.216 -13.086   4.259
    3   3H    GLY   1          HT3       GLY   1 205.886 -12.030   5.538
    4   1HA   GLY   1          HA1       GLY   1 205.749 -14.961   5.884
    5   2HA   GLY   1          HA2       GLY   1 207.268 -14.093   6.047
    6    H    SER   2           HN       SER   2 206.635 -11.839   7.360
    7    HA   SER   2           HA       SER   2 205.011 -12.503   9.680
    8   1HB   SER   2          HB2       SER   2 207.045 -11.713  11.134
    9   2HB   SER   2          HB1       SER   2 206.961 -13.388  10.585
   10    HG   SER   2           HG       SER   2 209.022 -12.389  10.227
   11    H    MET   3           HN       MET   3 203.918 -10.716   8.407
   12    HA   MET   3           HA       MET   3 205.011  -8.101   9.203
   13   1HB   MET   3          HB2       MET   3 203.270  -8.863   6.860
   14   2HB   MET   3          HB1       MET   3 203.493  -7.198   7.374
   15   1HG   MET   3          HG2       MET   3 206.047  -7.878   7.162
   16   2HG   MET   3          HG1       MET   3 205.371  -9.032   6.013
   17   1HE   MET   3          HE1       MET   3 206.763  -5.094   5.577
   18   2HE   MET   3          HE2       MET   3 206.183  -5.745   7.109
   19   3HE   MET   3          HE3       MET   3 205.188  -4.597   6.209
   20    H    LYS   4           HN       LYS   4 203.550  -6.504   9.980
   21    HA   LYS   4           HA       LYS   4 200.973  -7.560  10.946
   22   1HB   LYS   4          HB2       LYS   4 203.107  -6.056  12.416
   23   2HB   LYS   4          HB1       LYS   4 201.426  -5.859  12.893
   24   1HG   LYS   4          HG2       LYS   4 202.137  -7.545  14.288
   25   2HG   LYS   4          HG1       LYS   4 201.401  -8.449  12.962
   26   1HD   LYS   4          HD2       LYS   4 203.453  -9.112  12.107
   27   2HD   LYS   4          HD1       LYS   4 204.320  -7.795  12.899
   28   1HE   LYS   4          HE2       LYS   4 202.955  -9.725  14.671
   29   2HE   LYS   4          HE1       LYS   4 204.349 -10.335  13.779
   30   1HZ   LYS   4          HZ1       LYS   4 205.345  -8.060  14.679
   31   2HZ   LYS   4          HZ2       LYS   4 205.427  -9.501  15.560
   32   3HZ   LYS   4          HZ3       LYS   4 204.230  -8.361  15.916
   33    H    PHE   5           HN       PHE   5 199.521  -6.559   9.678
   34    HA   PHE   5           HA       PHE   5 199.755  -3.636   9.367
   35   1HB   PHE   5          HB2       PHE   5 198.812  -5.747   7.443
   36   2HB   PHE   5          HB1       PHE   5 198.337  -4.064   7.255
   37    HD1  PHE   5           HD1      PHE   5 201.521  -5.817   8.100
   38    HD2  PHE   5           HD2      PHE   5 199.528  -3.016   5.604
   39    HE1  PHE   5           HE1      PHE   5 203.631  -5.350   6.944
   40    HE2  PHE   5           HE2      PHE   5 201.636  -2.548   4.434
   41    HZ   PHE   5           HZ       PHE   5 203.697  -3.718   5.103
   42    H    VAL   6           HN       VAL   6 197.760  -2.439   9.229
   43    HA   VAL   6           HA       VAL   6 195.519  -3.778  10.595
   44    HB   VAL   6           HB       VAL   6 195.179  -1.066  11.100
   45   1HG1  VAL   6          HG11      VAL   6 196.323  -3.254  12.824
   46   2HG1  VAL   6          HG12      VAL   6 194.629  -2.794  12.658
   47   3HG1  VAL   6          HG13      VAL   6 195.768  -1.693  13.432
   48   1HG2  VAL   6          HG21      VAL   6 197.317  -0.404  12.183
   49   2HG2  VAL   6          HG22      VAL   6 197.414  -0.509  10.425
   50   3HG2  VAL   6          HG23      VAL   6 198.086  -1.798  11.423
   51    H    TYR   7           HN       TYR   7 195.774  -0.548   9.096
   52    HA   TYR   7           HA       TYR   7 193.276  -0.360   8.054
   53   1HB   TYR   7          HB2       TYR   7 195.163   1.350   7.907
   54   2HB   TYR   7          HB1       TYR   7 195.675   0.515   6.444
   55    HD1  TYR   7           HD1      TYR   7 192.630   2.078   7.942
   56    HD2  TYR   7           HD2      TYR   7 194.855   1.237   4.412
   57    HE1  TYR   7           HE1      TYR   7 191.038   3.416   6.628
   58    HE2  TYR   7           HE2      TYR   7 193.269   2.573   3.089
   59    HH   TYR   7           HH       TYR   7 190.947   3.353   3.234
   60    H    LYS   8           HN       LYS   8 196.046  -1.616   6.186
   61    HA   LYS   8           HA       LYS   8 194.552  -2.535   4.002
   62   1HB   LYS   8          HB2       LYS   8 196.560  -3.222   3.191
   63   2HB   LYS   8          HB1       LYS   8 197.204  -2.350   4.571
   64   1HG   LYS   8          HG2       LYS   8 198.315  -4.330   4.775
   65   2HG   LYS   8          HG1       LYS   8 196.904  -4.664   5.778
   66   1HD   LYS   8          HD2       LYS   8 195.855  -5.888   4.007
   67   2HD   LYS   8          HD1       LYS   8 197.098  -5.389   2.858
   68   1HE   LYS   8          HE2       LYS   8 198.130  -7.304   3.345
   69   2HE   LYS   8          HE1       LYS   8 198.538  -6.570   4.895
   70   1HZ   LYS   8          HZ1       LYS   8 197.509  -8.441   5.616
   71   2HZ   LYS   8          HZ2       LYS   8 196.505  -8.570   4.261
   72   3HZ   LYS   8          HZ3       LYS   8 196.142  -7.455   5.480
   73    H    GLU   9           HN       GLU   9 195.253  -3.922   7.119
   74    HA   GLU   9           HA       GLU   9 194.410  -6.568   6.555
   75   1HB   GLU   9          HB2       GLU   9 195.766  -5.459   8.591
   76   2HB   GLU   9          HB1       GLU   9 194.166  -5.526   9.317
   77   1HG   GLU   9          HG2       GLU   9 195.625  -7.874   8.127
   78   2HG   GLU   9          HG1       GLU   9 195.545  -7.489   9.845
   79    H    GLU  10           HN       GLU  10 192.872  -3.942   8.388
   80    HA   GLU  10           HA       GLU  10 190.401  -5.166   8.774
   81   1HB   GLU  10          HB2       GLU  10 191.159  -2.250   8.592
   82   2HB   GLU  10          HB1       GLU  10 189.554  -2.800   9.056
   83   1HG   GLU  10          HG2       GLU  10 190.644  -4.086  10.914
   84   2HG   GLU  10          HG1       GLU  10 192.145  -3.254  10.507
   85    H    HIS  11           HN       HIS  11 191.245  -2.676   6.345
   86    HA   HIS  11           HA       HIS  11 188.902  -2.587   4.915
   87   1HB   HIS  11          HB2       HIS  11 191.746  -2.119   4.279
   88   2HB   HIS  11          HB1       HIS  11 190.707  -2.412   2.889
   89    HD1  HIS  11           HD1      HIS  11 189.317  -0.490   2.094
   90    HD2  HIS  11           HD2      HIS  11 190.886   0.150   5.888
   91    HE1  HIS  11           HE1      HIS  11 188.754   1.894   2.661
   92    HE2  HIS  11           HE2      HIS  11 189.637   2.232   4.996
   93    HA   PRO  12           HA       PRO  12 188.414  -7.034   3.985
   94   1HB   PRO  12          HB2       PRO  12 186.423  -5.889   2.142
   95   2HB   PRO  12          HB1       PRO  12 186.225  -7.121   3.388
   96   1HG   PRO  12          HG2       PRO  12 185.470  -4.424   3.569
   97   2HG   PRO  12          HG1       PRO  12 185.541  -5.591   4.895
   98   1HD   PRO  12          HD2       PRO  12 187.182  -3.302   4.494
   99   2HD   PRO  12          HD1       PRO  12 187.320  -4.525   5.765
  100    H    PHE  13           HN       PHE  13 188.300  -8.252   1.902
  101    HA   PHE  13           HA       PHE  13 190.336  -7.334   0.136
  102   1HB   PHE  13          HB2       PHE  13 189.777  -9.770   0.749
  103   2HB   PHE  13          HB1       PHE  13 188.485  -9.639  -0.440
  104    HD1  PHE  13           HD1      PHE  13 191.919 -10.361   0.086
  105    HD2  PHE  13           HD2      PHE  13 189.162  -8.917  -2.818
  106    HE1  PHE  13           HE1      PHE  13 193.513 -10.922  -1.699
  107    HE2  PHE  13           HE2      PHE  13 190.754  -9.478  -4.609
  108    HZ   PHE  13           HZ       PHE  13 192.932 -10.481  -4.050
  109    H    GLU  14           HN       GLU  14 186.827  -7.632  -0.041
  110    HA   GLU  14           HA       GLU  14 186.477  -6.975  -2.733
  111   1HB   GLU  14          HB2       GLU  14 184.820  -7.433  -0.526
  112   2HB   GLU  14          HB1       GLU  14 184.418  -5.806  -1.057
  113   1HG   GLU  14          HG2       GLU  14 183.283  -6.570  -2.797
  114   2HG   GLU  14          HG1       GLU  14 184.625  -7.595  -3.303
  115    H    LYS  15           HN       LYS  15 187.375  -5.058  -0.023
  116    HA   LYS  15           HA       LYS  15 186.754  -2.521  -1.240
  117   1HB   LYS  15          HB2       LYS  15 188.500  -3.059   1.163
  118   2HB   LYS  15          HB1       LYS  15 187.693  -1.554   0.742
  119   1HG   LYS  15          HG2       LYS  15 185.961  -3.909   1.077
  120   2HG   LYS  15          HG1       LYS  15 186.739  -3.282   2.531
  121   1HD   LYS  15          HD2       LYS  15 185.894  -1.029   1.936
  122   2HD   LYS  15          HD1       LYS  15 184.999  -1.768   0.601
  123   1HE   LYS  15          HE2       LYS  15 183.808  -3.181   2.219
  124   2HE   LYS  15          HE1       LYS  15 184.682  -2.395   3.532
  125   1HZ   LYS  15          HZ1       LYS  15 183.653  -0.282   2.289
  126   2HZ   LYS  15          HZ2       LYS  15 182.869  -1.087   3.553
  127   3HZ   LYS  15          HZ3       LYS  15 182.451  -1.424   1.951
  128    H    ARG  16           HN       ARG  16 189.771  -4.129  -0.231
  129    HA   ARG  16           HA       ARG  16 191.509  -2.354  -1.527
  130   1HB   ARG  16          HB2       ARG  16 191.859  -5.267  -0.807
  131   2HB   ARG  16          HB1       ARG  16 193.164  -4.231  -1.371
  132   1HG   ARG  16          HG2       ARG  16 192.998  -2.852   0.566
  133   2HG   ARG  16          HG1       ARG  16 191.517  -3.663   1.081
  134   1HD   ARG  16          HD2       ARG  16 192.942  -4.828   2.385
  135   2HD   ARG  16          HD1       ARG  16 193.165  -5.778   0.918
  136    HE   ARG  16           HE       ARG  16 195.057  -3.947   2.124
  137   1HH1  ARG  16          HH11      ARG  16 194.187  -5.791  -0.713
  138   2HH1  ARG  16          HH12      ARG  16 195.792  -5.782  -1.360
  139   1HH2  ARG  16          HH21      ARG  16 197.165  -3.937   1.269
  140   2HH2  ARG  16          HH22      ARG  16 197.482  -4.730  -0.237
  141    H    ARG  17           HN       ARG  17 189.731  -5.146  -2.648
  142    HA   ARG  17           HA       ARG  17 191.075  -5.382  -5.163
  143   1HB   ARG  17          HB2       ARG  17 189.645  -7.155  -3.925
  144   2HB   ARG  17          HB1       ARG  17 188.268  -6.327  -4.635
  145   1HG   ARG  17          HG2       ARG  17 189.290  -6.693  -6.876
  146   2HG   ARG  17          HG1       ARG  17 190.529  -7.674  -6.091
  147   1HD   ARG  17          HD2       ARG  17 188.950  -9.288  -5.401
  148   2HD   ARG  17          HD1       ARG  17 187.592  -8.229  -5.777
  149    HE   ARG  17           HE       ARG  17 189.006  -8.669  -8.138
  150   1HH1  ARG  17          HH11      ARG  17 187.110 -10.491  -5.844
  151   2HH1  ARG  17          HH12      ARG  17 186.574 -11.648  -7.015
  152   1HH2  ARG  17          HH21      ARG  17 188.302 -10.190  -9.680
  153   2HH2  ARG  17          HH22      ARG  17 187.252 -11.478  -9.194
  154    H    SER  18           HN       SER  18 187.863  -4.175  -4.205
  155    HA   SER  18           HA       SER  18 187.012  -3.182  -6.616
  156   1HB   SER  18          HB2       SER  18 186.474  -2.266  -3.803
  157   2HB   SER  18          HB1       SER  18 185.699  -1.525  -5.203
  158    HG   SER  18           HG       SER  18 184.855  -3.570  -5.738
  159    H    GLU  19           HN       GLU  19 188.662  -1.361  -4.046
  160    HA   GLU  19           HA       GLU  19 188.968   1.036  -5.426
  161   1HB   GLU  19          HB2       GLU  19 189.898  -0.128  -2.983
  162   2HB   GLU  19          HB1       GLU  19 191.236   0.690  -3.775
  163   1HG   GLU  19          HG2       GLU  19 190.374   2.727  -3.426
  164   2HG   GLU  19          HG1       GLU  19 188.717   2.188  -3.694
  165    H    GLY  20           HN       GLY  20 191.280  -1.645  -5.065
  166   1HA   GLY  20          HA2       GLY  20 193.311  -0.582  -6.662
  167   2HA   GLY  20          HA1       GLY  20 193.063  -2.294  -6.352
  168    H    GLU  21           HN       GLU  21 191.165  -3.247  -7.651
  169    HA   GLU  21           HA       GLU  21 191.751  -3.381 -10.281
  170   1HB   GLU  21          HB2       GLU  21 190.278  -4.989  -9.508
  171   2HB   GLU  21          HB1       GLU  21 189.202  -3.807  -8.776
  172   1HG   GLU  21          HG2       GLU  21 188.045  -3.491 -10.667
  173   2HG   GLU  21          HG1       GLU  21 189.468  -3.652 -11.694
  174    H    LYS  22           HN       LYS  22 189.713  -0.952  -8.745
  175    HA   LYS  22           HA       LYS  22 188.836   0.184 -11.238
  176   1HB   LYS  22          HB2       LYS  22 187.333   0.540  -9.488
  177   2HB   LYS  22          HB1       LYS  22 188.600   0.975  -8.350
  178   1HG   LYS  22          HG2       LYS  22 188.256   2.756 -10.682
  179   2HG   LYS  22          HG1       LYS  22 186.957   2.754  -9.488
  180   1HD   LYS  22          HD2       LYS  22 189.537   2.836  -8.194
  181   2HD   LYS  22          HD1       LYS  22 189.380   4.150  -9.364
  182   1HE   LYS  22          HE2       LYS  22 187.328   3.513  -7.251
  183   2HE   LYS  22          HE1       LYS  22 188.605   4.715  -7.057
  184   1HZ   LYS  22          HZ1       LYS  22 187.715   5.950  -8.903
  185   2HZ   LYS  22          HZ2       LYS  22 186.488   5.689  -7.769
  186   3HZ   LYS  22          HZ3       LYS  22 186.537   4.769  -9.187
  187    H    ILE  23           HN       ILE  23 191.102   1.093  -8.686
  188    HA   ILE  23           HA       ILE  23 192.110   3.451  -9.745
  189    HB   ILE  23           HB       ILE  23 193.216   1.331  -7.939
  190   1HG1  ILE  23          HG12      ILE  23 193.086   4.185  -7.181
  191   2HG1  ILE  23          HG11      ILE  23 191.542   3.412  -7.517
  192   1HG2  ILE  23          HG21      ILE  23 195.046   2.509  -9.438
  193   2HG2  ILE  23          HG22      ILE  23 195.304   2.254  -7.716
  194   3HG2  ILE  23          HG23      ILE  23 194.793   3.832  -8.302
  195   1HD1  ILE  23          HD11      ILE  23 193.197   1.768  -5.824
  196   2HD1  ILE  23          HD12      ILE  23 191.562   2.377  -5.565
  197   3HD1  ILE  23          HD13      ILE  23 192.952   3.375  -5.142
  198    H    ARG  24           HN       ARG  24 192.665   0.142 -10.656
  199    HA   ARG  24           HA       ARG  24 194.956   0.738 -12.316
  200   1HB   ARG  24          HB2       ARG  24 193.286  -1.783 -12.221
  201   2HB   ARG  24          HB1       ARG  24 194.882  -1.608 -12.938
  202   1HG   ARG  24          HG2       ARG  24 194.208  -1.402 -10.012
  203   2HG   ARG  24          HG1       ARG  24 195.028  -2.742 -10.810
  204   1HD   ARG  24          HD2       ARG  24 196.112   0.058 -10.865
  205   2HD   ARG  24          HD1       ARG  24 196.470  -1.057  -9.550
  206    HE   ARG  24           HE       ARG  24 197.515  -2.515 -11.193
  207   1HH1  ARG  24          HH11      ARG  24 196.932   0.789 -12.189
  208   2HH1  ARG  24          HH12      ARG  24 198.151   0.756 -13.416
  209   1HH2  ARG  24          HH21      ARG  24 199.111  -2.544 -12.806
  210   2HH2  ARG  24          HH22      ARG  24 199.384  -1.129 -13.767
  211    H    LYS  25           HN       LYS  25 191.506   0.542 -12.627
  212    HA   LYS  25           HA       LYS  25 191.379   0.232 -15.457
  213   1HB   LYS  25          HB2       LYS  25 189.385   1.315 -13.473
  214   2HB   LYS  25          HB1       LYS  25 189.024   0.925 -15.150
  215   1HG   LYS  25          HG2       LYS  25 190.203  -1.368 -14.037
  216   2HG   LYS  25          HG1       LYS  25 189.037  -0.772 -12.855
  217   1HD   LYS  25          HD2       LYS  25 188.539  -1.502 -15.726
  218   2HD   LYS  25          HD1       LYS  25 187.883  -2.274 -14.281
  219   1HE   LYS  25          HE2       LYS  25 186.880   0.067 -13.801
  220   2HE   LYS  25          HE1       LYS  25 187.177   0.358 -15.514
  221   1HZ   LYS  25          HZ1       LYS  25 185.634  -1.968 -14.512
  222   2HZ   LYS  25          HZ2       LYS  25 185.744  -1.410 -16.105
  223   3HZ   LYS  25          HZ3       LYS  25 184.912  -0.500 -14.946
  224    H    LYS  26           HN       LYS  26 190.859   2.983 -13.285
  225    HA   LYS  26           HA       LYS  26 190.716   4.856 -15.434
  226   1HB   LYS  26          HB2       LYS  26 189.596   4.882 -13.080
  227   2HB   LYS  26          HB1       LYS  26 191.088   5.671 -12.599
  228   1HG   LYS  26          HG2       LYS  26 190.696   7.505 -14.012
  229   2HG   LYS  26          HG1       LYS  26 189.436   6.644 -14.900
  230   1HD   LYS  26          HD2       LYS  26 187.898   7.454 -13.516
  231   2HD   LYS  26          HD1       LYS  26 188.710   6.681 -12.155
  232   1HE   LYS  26          HE2       LYS  26 189.513   8.621 -11.409
  233   2HE   LYS  26          HE1       LYS  26 190.069   9.096 -13.015
  234   1HZ   LYS  26          HZ1       LYS  26 187.458   9.432 -13.305
  235   2HZ   LYS  26          HZ2       LYS  26 188.484  10.657 -12.747
  236   3HZ   LYS  26          HZ3       LYS  26 187.586   9.741 -11.646
  237    H    TYR  27           HN       TYR  27 193.097   3.880 -13.054
  238    HA   TYR  27           HA       TYR  27 195.052   5.655 -14.368
  239   1HB   TYR  27          HB2       TYR  27 195.722   4.592 -11.691
  240   2HB   TYR  27          HB1       TYR  27 196.016   6.184 -12.376
  241    HD1  TYR  27           HD1      TYR  27 193.268   7.077 -13.019
  242    HD2  TYR  27           HD2      TYR  27 194.759   4.984  -9.632
  243    HE1  TYR  27           HE1      TYR  27 191.441   7.992 -11.655
  244    HE2  TYR  27           HE2      TYR  27 192.929   5.882  -8.257
  245    HH   TYR  27           HH       TYR  27 190.711   6.817  -8.528
  246    HA   PRO  28           HA       PRO  28 196.525   1.455 -15.358
  247   1HB   PRO  28          HB2       PRO  28 197.541   2.590 -17.814
  248   2HB   PRO  28          HB1       PRO  28 196.225   1.436 -17.597
  249   1HG   PRO  28          HG2       PRO  28 195.862   4.008 -18.458
  250   2HG   PRO  28          HG1       PRO  28 194.623   3.067 -17.608
  251   1HD   PRO  28          HD2       PRO  28 196.479   5.161 -16.541
  252   2HD   PRO  28          HD1       PRO  28 194.756   4.893 -16.190
  253    H    ASP  29           HN       ASP  29 198.132   4.519 -15.186
  254    HA   ASP  29           HA       ASP  29 200.762   3.219 -15.257
  255   1HB   ASP  29          HB2       ASP  29 199.925   6.106 -15.507
  256   2HB   ASP  29          HB1       ASP  29 201.605   5.619 -15.301
  257    H    ARG  30           HN       ARG  30 198.507   3.845 -13.012
  258    HA   ARG  30           HA       ARG  30 200.450   4.651 -10.953
  259   1HB   ARG  30          HB2       ARG  30 197.571   5.162 -11.356
  260   2HB   ARG  30          HB1       ARG  30 198.050   4.823  -9.700
  261   1HG   ARG  30          HG2       ARG  30 199.820   6.727 -10.983
  262   2HG   ARG  30          HG1       ARG  30 198.139   7.266 -10.974
  263   1HD   ARG  30          HD2       ARG  30 198.000   7.141  -8.634
  264   2HD   ARG  30          HD1       ARG  30 199.484   6.194  -8.516
  265    HE   ARG  30           HE       ARG  30 200.694   8.138  -8.580
  266   1HH1  ARG  30          HH11      ARG  30 197.422   8.807  -9.591
  267   2HH1  ARG  30          HH12      ARG  30 197.641  10.524  -9.596
  268   1HH2  ARG  30          HH21      ARG  30 200.985  10.396  -8.586
  269   2HH2  ARG  30          HH22      ARG  30 199.665  11.427  -9.026
  270    H    VAL  31           HN       VAL  31 200.261   3.601  -8.843
  271    HA   VAL  31           HA       VAL  31 199.073   0.919  -8.953
  272    HB   VAL  31           HB       VAL  31 201.020  -0.087  -7.904
  273   1HG1  VAL  31          HG11      VAL  31 202.010  -0.486  -9.870
  274   2HG1  VAL  31          HG12      VAL  31 202.405   1.214 -10.127
  275   3HG1  VAL  31          HG13      VAL  31 200.797   0.611 -10.531
  276   1HG2  VAL  31          HG21      VAL  31 203.101   1.714  -8.265
  277   2HG2  VAL  31          HG22      VAL  31 202.395   1.211  -6.729
  278   3HG2  VAL  31          HG23      VAL  31 201.817   2.673  -7.532
  279    HA   PRO  32           HA       PRO  32 197.552   2.460  -5.014
  280   1HB   PRO  32          HB2       PRO  32 196.153   0.220  -4.343
  281   2HB   PRO  32          HB1       PRO  32 195.546   1.429  -5.480
  282   1HG   PRO  32          HG2       PRO  32 196.860  -1.199  -6.033
  283   2HG   PRO  32          HG1       PRO  32 195.462  -0.458  -6.831
  284   1HD   PRO  32          HD2       PRO  32 197.947  -0.419  -7.905
  285   2HD   PRO  32          HD1       PRO  32 196.783   0.895  -8.153
  286    H    VAL  33           HN       VAL  33 198.883   2.506  -3.297
  287    HA   VAL  33           HA       VAL  33 200.163  -0.018  -2.498
  288    HB   VAL  33           HB       VAL  33 201.308   2.770  -2.329
  289   1HG1  VAL  33          HG11      VAL  33 201.953   0.414  -0.832
  290   2HG1  VAL  33          HG12      VAL  33 202.646   2.028  -0.729
  291   3HG1  VAL  33          HG13      VAL  33 203.307   0.855  -1.869
  292   1HG2  VAL  33          HG21      VAL  33 202.888   2.035  -3.994
  293   2HG2  VAL  33          HG22      VAL  33 201.252   1.762  -4.593
  294   3HG2  VAL  33          HG23      VAL  33 202.208   0.403  -3.984
  295    H    ILE  34           HN       ILE  34 200.342  -0.513  -0.345
  296    HA   ILE  34           HA       ILE  34 198.871   1.227   1.519
  297    HB   ILE  34           HB       ILE  34 199.120  -1.770   1.853
  298   1HG1  ILE  34          HG12      ILE  34 197.887  -1.347  -0.214
  299   2HG1  ILE  34          HG11      ILE  34 196.770  -1.867   1.045
  300   1HG2  ILE  34          HG21      ILE  34 196.896  -0.998   3.159
  301   2HG2  ILE  34          HG22      ILE  34 197.864   0.467   3.303
  302   3HG2  ILE  34          HG23      ILE  34 198.495  -1.065   3.902
  303   1HD1  ILE  34          HD11      ILE  34 197.110   1.029   0.880
  304   2HD1  ILE  34          HD12      ILE  34 195.642   0.059   0.995
  305   3HD1  ILE  34          HD13      ILE  34 196.424   0.293  -0.569
  306    H    VAL  35           HN       VAL  35 200.889   2.274   1.915
  307    HA   VAL  35           HA       VAL  35 203.157   0.931   2.924
  308    HB   VAL  35           HB       VAL  35 202.360   3.805   3.388
  309   1HG1  VAL  35          HG11      VAL  35 205.002   3.900   3.327
  310   2HG1  VAL  35          HG12      VAL  35 204.829   2.240   3.895
  311   3HG1  VAL  35          HG13      VAL  35 204.117   3.567   4.816
  312   1HG2  VAL  35          HG21      VAL  35 203.714   4.316   1.423
  313   2HG2  VAL  35          HG22      VAL  35 202.380   3.241   1.007
  314   3HG2  VAL  35          HG23      VAL  35 204.013   2.596   1.173
  315    H    GLU  36           HN       GLU  36 203.896   0.584   4.977
  316    HA   GLU  36           HA       GLU  36 202.096   1.186   7.224
  317   1HB   GLU  36          HB2       GLU  36 202.568  -1.375   6.107
  318   2HB   GLU  36          HB1       GLU  36 203.421  -1.337   7.639
  319   1HG   GLU  36          HG2       GLU  36 200.490  -0.899   7.151
  320   2HG   GLU  36          HG1       GLU  36 201.258  -2.204   8.051
  321    H    LYS  37           HN       LYS  37 203.173   1.133   9.324
  322    HA   LYS  37           HA       LYS  37 206.017   1.813   9.064
  323   1HB   LYS  37          HB2       LYS  37 204.287   3.422  10.138
  324   2HB   LYS  37          HB1       LYS  37 204.341   2.329  11.515
  325   1HG   LYS  37          HG2       LYS  37 207.017   2.916  10.819
  326   2HG   LYS  37          HG1       LYS  37 206.128   4.440  10.830
  327   1HD   LYS  37          HD2       LYS  37 206.963   4.101  13.031
  328   2HD   LYS  37          HD1       LYS  37 205.226   3.789  13.080
  329   1HE   LYS  37          HE2       LYS  37 205.509   1.507  13.297
  330   2HE   LYS  37          HE1       LYS  37 207.129   1.543  12.604
  331   1HZ   LYS  37          HZ1       LYS  37 207.125   3.084  14.948
  332   2HZ   LYS  37          HZ2       LYS  37 207.961   1.647  14.639
  333   3HZ   LYS  37          HZ3       LYS  37 206.406   1.592  15.302
  334    H    ALA  38           HN       ALA  38 206.816  -0.248   9.022
  335    HA   ALA  38           HA       ALA  38 206.358  -2.534  10.238
  336   1HB   ALA  38          HB1       ALA  38 208.688  -3.020  10.273
  337   2HB   ALA  38          HB2       ALA  38 209.101  -1.307  10.354
  338   3HB   ALA  38          HB3       ALA  38 208.369  -1.974   8.890
  339    HA   PRO  39           HA       PRO  39 206.147  -2.294  14.634
  340   1HB   PRO  39          HB2       PRO  39 207.218  -4.747  15.243
  341   2HB   PRO  39          HB1       PRO  39 205.548  -4.497  14.709
  342   1HG   PRO  39          HG2       PRO  39 207.944  -5.324  13.133
  343   2HG   PRO  39          HG1       PRO  39 206.292  -5.955  13.062
  344   1HD   PRO  39          HD2       PRO  39 207.219  -4.258  11.226
  345   2HD   PRO  39          HD1       PRO  39 205.538  -4.169  11.797
  346    H    LYS  40           HN       LYS  40 207.423  -1.760  16.353
  347    HA   LYS  40           HA       LYS  40 209.261  -1.195  17.552
  348   1HB   LYS  40          HB2       LYS  40 210.546  -3.309  15.826
  349   2HB   LYS  40          HB1       LYS  40 211.362  -2.509  17.160
  350   1HG   LYS  40          HG2       LYS  40 210.610  -4.239  18.361
  351   2HG   LYS  40          HG1       LYS  40 209.091  -3.342  18.378
  352   1HD   LYS  40          HD2       LYS  40 209.010  -4.723  15.979
  353   2HD   LYS  40          HD1       LYS  40 209.753  -5.869  17.096
  354   1HE   LYS  40          HE2       LYS  40 207.165  -4.397  17.581
  355   2HE   LYS  40          HE1       LYS  40 207.295  -6.064  17.023
  356   1HZ   LYS  40          HZ1       LYS  40 208.215  -4.986  19.631
  357   2HZ   LYS  40          HZ2       LYS  40 208.521  -6.560  19.093
  358   3HZ   LYS  40          HZ3       LYS  40 206.931  -6.057  19.370
  359    H    ALA  41           HN       ALA  41 208.994  -0.468  14.304
  360    HA   ALA  41           HA       ALA  41 211.431   0.544  13.540
  361   1HB   ALA  41          HB1       ALA  41 210.322   1.782  11.915
  362   2HB   ALA  41          HB2       ALA  41 208.901   2.024  12.927
  363   3HB   ALA  41          HB3       ALA  41 209.221   0.437  12.220
  364    H    ARG  42           HN       ARG  42 212.534   2.385  13.957
  365    HA   ARG  42           HA       ARG  42 211.775   3.865  16.337
  366   1HB   ARG  42          HB2       ARG  42 214.301   4.288  14.756
  367   2HB   ARG  42          HB1       ARG  42 214.014   4.612  16.460
  368   1HG   ARG  42          HG2       ARG  42 214.030   2.294  16.988
  369   2HG   ARG  42          HG1       ARG  42 214.019   1.845  15.281
  370   1HD   ARG  42          HD2       ARG  42 216.231   2.823  14.997
  371   2HD   ARG  42          HD1       ARG  42 216.239   3.331  16.685
  372    HE   ARG  42           HE       ARG  42 215.857   0.503  16.318
  373   1HH1  ARG  42          HH11      ARG  42 218.213   3.056  16.644
  374   2HH1  ARG  42          HH12      ARG  42 219.462   2.001  17.213
  375   1HH2  ARG  42          HH21      ARG  42 217.499  -0.886  17.068
  376   2HH2  ARG  42          HH22      ARG  42 219.058  -0.238  17.453
  377    H    ILE  43           HN       ILE  43 210.238   4.243  14.063
  378    HA   ILE  43           HA       ILE  43 210.726   7.084  13.464
  379    HB   ILE  43           HB       ILE  43 209.414   6.442  11.304
  380   1HG1  ILE  43          HG12      ILE  43 210.748   3.831  12.021
  381   2HG1  ILE  43          HG11      ILE  43 209.010   4.115  11.986
  382   1HG2  ILE  43          HG21      ILE  43 211.680   5.816  10.246
  383   2HG2  ILE  43          HG22      ILE  43 212.324   6.069  11.870
  384   3HG2  ILE  43          HG23      ILE  43 211.513   7.389  11.026
  385   1HD1  ILE  43          HD11      ILE  43 209.087   3.358   9.915
  386   2HD1  ILE  43          HD12      ILE  43 210.844   3.515   9.832
  387   3HD1  ILE  43          HD13      ILE  43 209.819   4.909   9.494
  388    H    GLY  44           HN       GLY  44 208.677   8.056  12.505
  389   1HA   GLY  44          HA2       GLY  44 206.615   7.798  14.488
  390   2HA   GLY  44          HA1       GLY  44 206.626   8.912  13.130
  391    H    ASP  45           HN       ASP  45 204.505   7.120  14.252
  392    HA   ASP  45           HA       ASP  45 204.059   5.121  12.228
  393   1HB   ASP  45          HB2       ASP  45 202.030   4.620  13.419
  394   2HB   ASP  45          HB1       ASP  45 203.313   4.872  14.597
  395    H    LEU  46           HN       LEU  46 202.926   5.307  10.404
  396    HA   LEU  46           HA       LEU  46 201.971   7.915   9.629
  397   1HB   LEU  46          HB2       LEU  46 202.959   5.593   8.310
  398   2HB   LEU  46          HB1       LEU  46 201.365   5.949   7.667
  399    HG   LEU  46           HG       LEU  46 203.199   8.246   7.913
  400   1HD1  LEU  46          HD11      LEU  46 204.874   6.927   7.044
  401   2HD1  LEU  46          HD12      LEU  46 204.098   7.522   5.576
  402   3HD1  LEU  46          HD13      LEU  46 203.748   5.895   6.160
  403   1HD2  LEU  46          HD21      LEU  46 202.186   8.746   5.700
  404   2HD2  LEU  46          HD22      LEU  46 201.003   8.556   6.993
  405   3HD2  LEU  46          HD23      LEU  46 201.257   7.251   5.832
  406    H    ASP  47           HN       ASP  47 199.905   8.482   9.102
  407    HA   ASP  47           HA       ASP  47 197.799   6.768  10.194
  408   1HB   ASP  47          HB2       ASP  47 196.389   8.800  10.075
  409   2HB   ASP  47          HB1       ASP  47 197.846   9.058  11.030
  410    H    LYS  48           HN       LYS  48 199.042   8.044   7.234
  411    HA   LYS  48           HA       LYS  48 196.672   7.203   5.734
  412   1HB   LYS  48          HB2       LYS  48 197.496   9.385   5.131
  413   2HB   LYS  48          HB1       LYS  48 199.132   8.769   4.940
  414   1HG   LYS  48          HG2       LYS  48 197.457   7.272   3.220
  415   2HG   LYS  48          HG1       LYS  48 197.059   8.977   3.005
  416   1HD   LYS  48          HD2       LYS  48 199.838   8.926   3.109
  417   2HD   LYS  48          HD1       LYS  48 199.408   7.500   2.162
  418   1HE   LYS  48          HE2       LYS  48 199.689   9.359   0.669
  419   2HE   LYS  48          HE1       LYS  48 197.978   8.940   0.736
  420   1HZ   LYS  48          HZ1       LYS  48 197.961  10.757   2.587
  421   2HZ   LYS  48          HZ2       LYS  48 197.894  11.199   0.956
  422   3HZ   LYS  48          HZ3       LYS  48 199.356  11.302   1.798
  423    H    LYS  49           HN       LYS  49 196.739   5.028   5.542
  424    HA   LYS  49           HA       LYS  49 199.204   3.624   5.084
  425   1HB   LYS  49          HB2       LYS  49 196.371   2.904   5.569
  426   2HB   LYS  49          HB1       LYS  49 197.312   1.741   4.646
  427   1HG   LYS  49          HG2       LYS  49 198.755   2.667   6.973
  428   2HG   LYS  49          HG1       LYS  49 197.191   1.975   7.404
  429   1HD   LYS  49          HD2       LYS  49 198.275   0.261   5.469
  430   2HD   LYS  49          HD1       LYS  49 199.607   0.660   6.554
  431   1HE   LYS  49          HE2       LYS  49 198.487  -0.208   8.424
  432   2HE   LYS  49          HE1       LYS  49 196.928  -0.193   7.605
  433   1HZ   LYS  49          HZ1       LYS  49 197.375  -2.358   7.345
  434   2HZ   LYS  49          HZ2       LYS  49 199.048  -2.165   7.501
  435   3HZ   LYS  49          HZ3       LYS  49 198.290  -1.826   6.028
  436    H    LYS  50           HN       LYS  50 196.353   4.452   3.150
  437    HA   LYS  50           HA       LYS  50 197.199   3.019   0.840
  438   1HB   LYS  50          HB2       LYS  50 194.836   3.619   1.322
  439   2HB   LYS  50          HB1       LYS  50 195.233   5.305   1.017
  440   1HG   LYS  50          HG2       LYS  50 194.653   4.934  -1.092
  441   2HG   LYS  50          HG1       LYS  50 196.145   4.002  -1.241
  442   1HD   LYS  50          HD2       LYS  50 194.322   2.655  -2.034
  443   2HD   LYS  50          HD1       LYS  50 194.885   1.986  -0.500
  444   1HE   LYS  50          HE2       LYS  50 192.381   2.143  -0.792
  445   2HE   LYS  50          HE1       LYS  50 193.036   2.868   0.674
  446   1HZ   LYS  50          HZ1       LYS  50 192.482   4.436  -1.777
  447   2HZ   LYS  50          HZ2       LYS  50 192.786   5.019  -0.219
  448   3HZ   LYS  50          HZ3       LYS  50 191.333   4.218  -0.553
  449    H    TYR  51           HN       TYR  51 198.134   3.724  -1.048
  450    HA   TYR  51           HA       TYR  51 199.007   6.492  -1.275
  451   1HB   TYR  51          HB2       TYR  51 200.859   4.148  -0.966
  452   2HB   TYR  51          HB1       TYR  51 201.353   5.564  -1.891
  453    HD1  TYR  51           HD1      TYR  51 200.565   4.262   1.424
  454    HD2  TYR  51           HD2      TYR  51 201.758   7.686  -0.790
  455    HE1  TYR  51           HE1      TYR  51 201.218   5.381   3.519
  456    HE2  TYR  51           HE2      TYR  51 202.417   8.816   1.291
  457    HH   TYR  51           HH       TYR  51 201.651   8.553   3.844
  458    H    LEU  52           HN       LEU  52 198.379   7.062  -3.244
  459    HA   LEU  52           HA       LEU  52 198.350   5.047  -5.372
  460   1HB   LEU  52          HB2       LEU  52 196.439   6.818  -4.686
  461   2HB   LEU  52          HB1       LEU  52 197.307   7.777  -5.870
  462    HG   LEU  52           HG       LEU  52 196.971   6.004  -7.548
  463   1HD1  LEU  52          HD11      LEU  52 196.350   3.948  -6.997
  464   2HD1  LEU  52          HD12      LEU  52 194.889   4.551  -6.215
  465   3HD1  LEU  52          HD13      LEU  52 196.391   4.426  -5.300
  466   1HD2  LEU  52          HD21      LEU  52 195.129   7.835  -6.608
  467   2HD2  LEU  52          HD22      LEU  52 194.207   6.335  -6.714
  468   3HD2  LEU  52          HD23      LEU  52 195.045   6.958  -8.136
  469    H    VAL  53           HN       VAL  53 200.627   5.048  -5.655
  470    HA   VAL  53           HA       VAL  53 201.750   7.508  -6.800
  471    HB   VAL  53           HB       VAL  53 203.854   5.722  -6.639
  472   1HG1  VAL  53          HG11      VAL  53 204.515   7.102  -4.647
  473   2HG1  VAL  53          HG12      VAL  53 202.932   7.872  -4.745
  474   3HG1  VAL  53          HG13      VAL  53 204.070   8.022  -6.085
  475   1HG2  VAL  53          HG21      VAL  53 202.707   4.092  -5.350
  476   2HG2  VAL  53          HG22      VAL  53 202.033   5.317  -4.274
  477   3HG2  VAL  53          HG23      VAL  53 203.760   4.966  -4.240
  478    HA   PRO  54           HA       PRO  54 201.857   6.100 -10.953
  479   1HB   PRO  54          HB2       PRO  54 204.771   6.697 -10.956
  480   2HB   PRO  54          HB1       PRO  54 203.501   7.278 -12.041
  481   1HG   PRO  54          HG2       PRO  54 204.530   8.875 -10.174
  482   2HG   PRO  54          HG1       PRO  54 202.798   8.916 -10.558
  483   1HD   PRO  54          HD2       PRO  54 204.198   7.691  -8.220
  484   2HD   PRO  54          HD1       PRO  54 202.628   8.519  -8.290
  485    H    SER  55           HN       SER  55 203.646   4.881 -12.439
  486    HA   SER  55           HA       SER  55 204.245   2.395 -10.982
  487   1HB   SER  55          HB2       SER  55 202.748   1.686 -12.583
  488   2HB   SER  55          HB1       SER  55 203.221   2.935 -13.734
  489    HG   SER  55           HG       SER  55 203.913   0.503 -13.904
  490    H    ASP  56           HN       ASP  56 205.619   5.028 -12.636
  491    HA   ASP  56           HA       ASP  56 208.092   3.571 -13.204
  492   1HB   ASP  56          HB2       ASP  56 206.841   5.399 -14.732
  493   2HB   ASP  56          HB1       ASP  56 207.865   6.476 -13.788
  494    H    LEU  57           HN       LEU  57 206.629   5.315 -10.765
  495    HA   LEU  57           HA       LEU  57 208.672   6.925  -9.781
  496   1HB   LEU  57          HB2       LEU  57 206.357   7.012  -8.972
  497   2HB   LEU  57          HB1       LEU  57 206.572   5.442  -8.215
  498    HG   LEU  57           HG       LEU  57 208.592   6.699  -7.039
  499   1HD1  LEU  57          HD11      LEU  57 206.612   8.932  -7.383
  500   2HD1  LEU  57          HD12      LEU  57 208.076   8.778  -8.354
  501   3HD1  LEU  57          HD13      LEU  57 208.195   8.985  -6.606
  502   1HD2  LEU  57          HD21      LEU  57 205.734   6.389  -6.369
  503   2HD2  LEU  57          HD22      LEU  57 206.662   7.493  -5.353
  504   3HD2  LEU  57          HD23      LEU  57 207.169   5.813  -5.524
  505    H    THR  58           HN       THR  58 210.669   6.267  -9.406
  506    HA   THR  58           HA       THR  58 211.389   3.599  -8.801
  507    HB   THR  58           HB       THR  58 213.574   4.982  -8.020
  508    HG1  THR  58           HG1      THR  58 212.456   6.664  -9.986
  509   1HG2  THR  58          HG21      THR  58 214.342   3.929  -9.799
  510   2HG2  THR  58          HG22      THR  58 213.630   5.175 -10.823
  511   3HG2  THR  58          HG23      THR  58 212.703   3.728 -10.422
  512    H    VAL  59           HN       VAL  59 212.001   2.625  -6.929
  513    HA   VAL  59           HA       VAL  59 210.645   3.096  -4.610
  514    HB   VAL  59           HB       VAL  59 213.259   1.723  -5.132
  515   1HG1  VAL  59          HG11      VAL  59 211.904   2.023  -2.455
  516   2HG1  VAL  59          HG12      VAL  59 213.542   2.508  -2.888
  517   3HG1  VAL  59          HG13      VAL  59 213.121   0.797  -2.811
  518   1HG2  VAL  59          HG21      VAL  59 210.964   0.830  -5.815
  519   2HG2  VAL  59          HG22      VAL  59 210.708   0.537  -4.095
  520   3HG2  VAL  59          HG23      VAL  59 212.037  -0.259  -4.937
  521    H    GLY  60           HN       GLY  60 213.723   4.491  -5.612
  522   1HA   GLY  60          HA2       GLY  60 214.451   5.668  -3.157
  523   2HA   GLY  60          HA1       GLY  60 214.964   6.222  -4.746
  524    H    GLN  61           HN       GLN  61 212.310   6.707  -5.731
  525    HA   GLN  61           HA       GLN  61 211.933   9.364  -4.770
  526   1HB   GLN  61          HB2       GLN  61 210.261   7.682  -6.633
  527   2HB   GLN  61          HB1       GLN  61 210.038   9.406  -6.348
  528   1HG   GLN  61          HG2       GLN  61 212.351   9.779  -7.118
  529   2HG   GLN  61          HG1       GLN  61 212.443   8.072  -7.541
  530   1HE2  GLN  61          HE21      GLN  61 209.825   7.775  -8.518
  531   2HE2  GLN  61          HE22      GLN  61 209.700   8.627 -10.017
  532    H    PHE  62           HN       PHE  62 210.023   6.374  -4.591
  533    HA   PHE  62           HA       PHE  62 207.838   7.305  -3.169
  534   1HB   PHE  62          HB2       PHE  62 208.252   4.968  -4.139
  535   2HB   PHE  62          HB1       PHE  62 209.091   4.619  -2.631
  536    HD1  PHE  62           HD1      PHE  62 207.727   3.094  -1.540
  537    HD2  PHE  62           HD2      PHE  62 206.018   6.619  -3.199
  538    HE1  PHE  62           HE1      PHE  62 205.575   2.547  -0.478
  539    HE2  PHE  62           HE2      PHE  62 203.864   6.080  -2.141
  540    HZ   PHE  62           HZ       PHE  62 203.643   4.044  -0.780
  541    H    TYR  63           HN       TYR  63 210.984   6.232  -1.972
  542    HA   TYR  63           HA       TYR  63 210.525   6.246   0.766
  543   1HB   TYR  63          HB2       TYR  63 212.902   6.710  -0.970
  544   2HB   TYR  63          HB1       TYR  63 213.037   7.158   0.724
  545    HD1  TYR  63           HD1      TYR  63 213.560   4.624  -1.574
  546    HD2  TYR  63           HD2      TYR  63 212.177   5.253   2.394
  547    HE1  TYR  63           HE1      TYR  63 214.106   2.290  -1.022
  548    HE2  TYR  63           HE2      TYR  63 212.715   2.925   2.961
  549    HH   TYR  63           HH       TYR  63 214.593   0.925   0.924
  550    H    PHE  64           HN       PHE  64 212.168   8.803  -0.991
  551    HA   PHE  64           HA       PHE  64 212.251  10.807   0.790
  552   1HB   PHE  64          HB2       PHE  64 213.262  11.209  -1.272
  553   2HB   PHE  64          HB1       PHE  64 211.816  10.772  -2.172
  554    HD1  PHE  64           HD1      PHE  64 213.231  13.406   0.030
  555    HD2  PHE  64           HD2      PHE  64 210.379  12.398  -2.964
  556    HE1  PHE  64           HE1      PHE  64 212.679  15.790  -0.237
  557    HE2  PHE  64           HE2      PHE  64 209.820  14.782  -3.237
  558    HZ   PHE  64           HZ       PHE  64 210.972  16.479  -1.874
  559    H    LEU  65           HN       LEU  65 209.359   9.797  -0.961
  560    HA   LEU  65           HA       LEU  65 207.821  12.054  -0.088
  561   1HB   LEU  65          HB2       LEU  65 206.415  11.406  -1.677
  562   2HB   LEU  65          HB1       LEU  65 207.574  10.154  -2.080
  563    HG   LEU  65           HG       LEU  65 206.381   8.735  -0.342
  564   1HD1  LEU  65          HD11      LEU  65 203.956  10.344  -0.895
  565   2HD1  LEU  65          HD12      LEU  65 205.082  10.981   0.304
  566   3HD1  LEU  65          HD13      LEU  65 204.375   9.380   0.520
  567   1HD2  LEU  65          HD21      LEU  65 204.886   7.893  -1.977
  568   2HD2  LEU  65          HD22      LEU  65 206.267   8.546  -2.859
  569   3HD2  LEU  65          HD23      LEU  65 204.763   9.462  -2.771
  570    H    ILE  66           HN       ILE  66 208.154   8.672   0.884
  571    HA   ILE  66           HA       ILE  66 206.181   8.849   2.954
  572    HB   ILE  66           HB       ILE  66 208.336   6.809   2.411
  573   1HG1  ILE  66          HG12      ILE  66 206.621   6.803   0.720
  574   2HG1  ILE  66          HG11      ILE  66 206.371   5.403   1.757
  575   1HG2  ILE  66          HG21      ILE  66 208.047   6.367   4.623
  576   2HG2  ILE  66          HG22      ILE  66 206.669   5.464   3.992
  577   3HG2  ILE  66          HG23      ILE  66 206.432   7.076   4.667
  578   1HD1  ILE  66          HD11      ILE  66 204.856   7.996   1.981
  579   2HD1  ILE  66          HD12      ILE  66 204.559   6.514   2.888
  580   3HD1  ILE  66          HD13      ILE  66 204.283   6.552   1.146
  581    H    ARG  67           HN       ARG  67 209.566   9.526   2.666
  582    HA   ARG  67           HA       ARG  67 210.372   9.367   5.340
  583   1HB   ARG  67          HB2       ARG  67 211.391  10.470   2.861
  584   2HB   ARG  67          HB1       ARG  67 211.720  11.562   4.198
  585   1HG   ARG  67          HG2       ARG  67 213.349  10.265   4.963
  586   2HG   ARG  67          HG1       ARG  67 212.320   8.832   4.919
  587   1HD   ARG  67          HD2       ARG  67 212.895   8.362   2.693
  588   2HD   ARG  67          HD1       ARG  67 213.561   9.975   2.440
  589    HE   ARG  67           HE       ARG  67 214.999   8.627   4.466
  590   1HH1  ARG  67          HH11      ARG  67 214.549   8.669   1.006
  591   2HH1  ARG  67          HH12      ARG  67 216.131   8.054   0.666
  592   1HH2  ARG  67          HH21      ARG  67 217.081   7.817   4.021
  593   2HH2  ARG  67          HH22      ARG  67 217.569   7.570   2.377
  594    H    LYS  68           HN       LYS  68 208.861  12.033   3.536
  595    HA   LYS  68           HA       LYS  68 208.910  13.890   5.682
  596   1HB   LYS  68          HB2       LYS  68 206.936  13.785   3.402
  597   2HB   LYS  68          HB1       LYS  68 207.376  15.193   4.359
  598   1HG   LYS  68          HG2       LYS  68 209.067  15.665   3.008
  599   2HG   LYS  68          HG1       LYS  68 209.705  14.023   3.138
  600   1HD   LYS  68          HD2       LYS  68 208.192  13.269   1.399
  601   2HD   LYS  68          HD1       LYS  68 207.461  14.873   1.307
  602   1HE   LYS  68          HE2       LYS  68 210.366  14.292   0.754
  603   2HE   LYS  68          HE1       LYS  68 209.121  14.396  -0.490
  604   1HZ   LYS  68          HZ1       LYS  68 210.604  16.470   0.478
  605   2HZ   LYS  68          HZ2       LYS  68 209.111  16.669   1.246
  606   3HZ   LYS  68          HZ3       LYS  68 209.191  16.604  -0.442
  607    H    ARG  69           HN       ARG  69 206.703  11.381   4.642
  608    HA   ARG  69           HA       ARG  69 204.478  12.033   6.203
  609   1HB   ARG  69          HB2       ARG  69 205.479   9.312   5.365
  610   2HB   ARG  69          HB1       ARG  69 203.867   9.653   5.977
  611   1HG   ARG  69          HG2       ARG  69 204.922  11.124   3.619
  612   2HG   ARG  69          HG1       ARG  69 204.271   9.498   3.425
  613   1HD   ARG  69          HD2       ARG  69 202.897  11.980   3.590
  614   2HD   ARG  69          HD1       ARG  69 202.241  10.370   3.315
  615    HE   ARG  69           HE       ARG  69 202.741  11.134   6.083
  616   1HH1  ARG  69          HH11      ARG  69 200.421  10.822   3.489
  617   2HH1  ARG  69          HH12      ARG  69 199.055  10.809   4.553
  618   1HH2  ARG  69          HH21      ARG  69 200.946  11.119   7.474
  619   2HH2  ARG  69          HH22      ARG  69 199.352  10.978   6.811
  620    H    ILE  70           HN       ILE  70 207.563  10.817   7.033
  621    HA   ILE  70           HA       ILE  70 206.674  10.178   9.764
  622    HB   ILE  70           HB       ILE  70 209.203   9.059   9.502
  623   1HG1  ILE  70          HG12      ILE  70 207.662   8.076   7.130
  624   2HG1  ILE  70          HG11      ILE  70 208.709   9.478   6.964
  625   1HG2  ILE  70          HG21      ILE  70 208.142   7.194  10.189
  626   2HG2  ILE  70          HG22      ILE  70 206.904   7.305   8.941
  627   3HG2  ILE  70          HG23      ILE  70 206.787   8.300  10.391
  628   1HD1  ILE  70          HD11      ILE  70 209.986   7.230   8.296
  629   2HD1  ILE  70          HD12      ILE  70 210.552   8.249   6.972
  630   3HD1  ILE  70          HD13      ILE  70 209.473   6.894   6.643
  631    H    HIS  71           HN       HIS  71 208.087  12.551   8.063
  632    HA   HIS  71           HA       HIS  71 209.235  14.401   8.637
  633   1HB   HIS  71          HB2       HIS  71 209.316  13.196  11.407
  634   2HB   HIS  71          HB1       HIS  71 209.841  14.823  10.994
  635    HD1  HIS  71           HD1      HIS  71 206.632  12.968  10.107
  636    HD2  HIS  71           HD2      HIS  71 207.926  16.463  11.945
  637    HE1  HIS  71           HE1      HIS  71 204.541  14.235  10.688
  638    HE2  HIS  71           HE2      HIS  71 205.344  16.300  11.886
  639    H    LEU  72           HN       LEU  72 210.512  12.640   7.284
  640    HA   LEU  72           HA       LEU  72 213.237  12.649   8.402
  641   1HB   LEU  72          HB2       LEU  72 212.027  10.557   6.608
  642   2HB   LEU  72          HB1       LEU  72 213.672  10.559   7.218
  643    HG   LEU  72           HG       LEU  72 211.130  10.145   8.788
  644   1HD1  LEU  72          HD11      LEU  72 211.697   7.958   8.926
  645   2HD1  LEU  72          HD12      LEU  72 213.429   8.290   8.888
  646   3HD1  LEU  72          HD13      LEU  72 212.492   8.326   7.396
  647   1HD2  LEU  72          HD21      LEU  72 213.193  11.531   9.815
  648   2HD2  LEU  72          HD22      LEU  72 213.740   9.888  10.142
  649   3HD2  LEU  72          HD23      LEU  72 212.186  10.440  10.763
  650    H    ARG  73           HN       ARG  73 214.852  13.346   7.052
  651    HA   ARG  73           HA       ARG  73 214.033  14.155   4.339
  652   1HB   ARG  73          HB2       ARG  73 215.740  16.072   4.748
  653   2HB   ARG  73          HB1       ARG  73 214.113  16.207   5.402
  654   1HG   ARG  73          HG2       ARG  73 216.269  15.034   7.090
  655   2HG   ARG  73          HG1       ARG  73 216.195  16.783   6.867
  656   1HD   ARG  73          HD2       ARG  73 213.687  16.485   7.490
  657   2HD   ARG  73          HD1       ARG  73 214.225  14.951   8.175
  658    HE   ARG  73           HE       ARG  73 215.047  16.127   9.937
  659   1HH1  ARG  73          HH11      ARG  73 214.916  18.270   7.185
  660   2HH1  ARG  73          HH12      ARG  73 215.468  19.649   8.075
  661   1HH2  ARG  73          HH21      ARG  73 215.772  17.939  11.109
  662   2HH2  ARG  73          HH22      ARG  73 215.954  19.461  10.302
  663    H    ALA  74           HN       ALA  74 215.046  12.038   3.807
  664    HA   ALA  74           HA       ALA  74 216.734  10.848   2.849
  665   1HB   ALA  74          HB1       ALA  74 218.687  12.121   1.987
  666   2HB   ALA  74          HB2       ALA  74 218.056  13.554   2.797
  667   3HB   ALA  74          HB3       ALA  74 217.130  12.794   1.503
  668    H    GLU  75           HN       GLU  75 218.559  13.211   4.799
  669    HA   GLU  75           HA       GLU  75 220.568  11.562   5.658
  670   1HB   GLU  75          HB2       GLU  75 219.220  13.839   7.108
  671   2HB   GLU  75          HB1       GLU  75 220.682  13.060   7.694
  672   1HG   GLU  75          HG2       GLU  75 221.254  13.679   5.056
  673   2HG   GLU  75          HG1       GLU  75 220.347  15.071   5.646
  674    H    ASP  76           HN       ASP  76 217.283  11.741   6.821
  675    HA   ASP  76           HA       ASP  76 217.711  10.166   9.173
  676   1HB   ASP  76          HB2       ASP  76 215.402  11.351   7.763
  677   2HB   ASP  76          HB1       ASP  76 215.059   9.882   8.672
  678    H    ALA  77           HN       ALA  77 216.902   8.020   9.520
  679    HA   ALA  77           HA       ALA  77 217.455   6.309   7.253
  680   1HB   ALA  77          HB1       ALA  77 217.381   4.477   8.875
  681   2HB   ALA  77          HB2       ALA  77 216.896   5.618  10.131
  682   3HB   ALA  77          HB3       ALA  77 218.483   5.760   9.376
  683    H    LEU  78           HN       LEU  78 216.075   4.974   6.269
  684    HA   LEU  78           HA       LEU  78 213.463   4.352   7.211
  685   1HB   LEU  78          HB2       LEU  78 212.972   6.616   6.549
  686   2HB   LEU  78          HB1       LEU  78 213.739   6.373   4.991
  687    HG   LEU  78           HG       LEU  78 211.973   4.700   4.438
  688   1HD1  LEU  78          HD11      LEU  78 211.116   3.895   6.410
  689   2HD1  LEU  78          HD12      LEU  78 209.866   5.045   5.931
  690   3HD1  LEU  78          HD13      LEU  78 211.049   5.491   7.160
  691   1HD2  LEU  78          HD21      LEU  78 210.244   6.323   3.969
  692   2HD2  LEU  78          HD22      LEU  78 211.830   7.051   3.706
  693   3HD2  LEU  78          HD23      LEU  78 210.917   7.430   5.167
  694    H    PHE  79           HN       PHE  79 213.394   2.295   6.584
  695    HA   PHE  79           HA       PHE  79 214.248   1.637   3.840
  696   1HB   PHE  79          HB2       PHE  79 214.223  -0.205   6.243
  697   2HB   PHE  79          HB1       PHE  79 214.792  -0.607   4.629
  698    HD1  PHE  79           HD1      PHE  79 217.011  -0.270   4.039
  699    HD2  PHE  79           HD2      PHE  79 215.453   1.631   7.514
  700    HE1  PHE  79           HE1      PHE  79 219.283   0.441   4.665
  701    HE2  PHE  79           HE2      PHE  79 217.721   2.348   8.144
  702    HZ   PHE  79           HZ       PHE  79 219.639   1.753   6.718
  703    H    PHE  80           HN       PHE  80 212.796   0.669   2.534
  704    HA   PHE  80           HA       PHE  80 210.099   0.338   3.535
  705   1HB   PHE  80          HB2       PHE  80 211.332   0.313   0.795
  706   2HB   PHE  80          HB1       PHE  80 209.688  -0.264   1.047
  707    HD1  PHE  80           HD1      PHE  80 209.074   1.819   3.282
  708    HD2  PHE  80           HD2      PHE  80 210.713   2.110  -0.637
  709    HE1  PHE  80           HE1      PHE  80 208.256   4.130   3.117
  710    HE2  PHE  80           HE2      PHE  80 209.891   4.419  -0.809
  711    HZ   PHE  80           HZ       PHE  80 208.660   5.432   1.066
  712    H    PHE  81           HN       PHE  81 208.940  -1.555   3.564
  713    HA   PHE  81           HA       PHE  81 210.386  -4.016   2.922
  714   1HB   PHE  81          HB2       PHE  81 208.900  -3.495   5.502
  715   2HB   PHE  81          HB1       PHE  81 209.571  -5.049   5.016
  716    HD1  PHE  81           HD1      PHE  81 210.347  -1.662   6.161
  717    HD2  PHE  81           HD2      PHE  81 211.939  -5.460   5.089
  718    HE1  PHE  81           HE1      PHE  81 212.508  -1.032   7.153
  719    HE2  PHE  81           HE2      PHE  81 214.103  -4.838   6.082
  720    HZ   PHE  81           HZ       PHE  81 214.395  -2.619   7.105
  721    H    VAL  82           HN       VAL  82 209.237  -5.084   1.482
  722    HA   VAL  82           HA       VAL  82 206.304  -5.083   1.747
  723    HB   VAL  82           HB       VAL  82 207.179  -3.779  -0.254
  724   1HG1  VAL  82          HG11      VAL  82 208.343  -4.735  -1.943
  725   2HG1  VAL  82          HG12      VAL  82 207.614  -6.323  -1.698
  726   3HG1  VAL  82          HG13      VAL  82 208.908  -5.772  -0.633
  727   1HG2  VAL  82          HG21      VAL  82 205.583  -6.005  -1.364
  728   2HG2  VAL  82          HG22      VAL  82 205.288  -4.265  -1.399
  729   3HG2  VAL  82          HG23      VAL  82 204.927  -5.192   0.058
  730    H    ASN  83           HN       ASN  83 205.570  -7.038   2.237
  731    HA   ASN  83           HA       ASN  83 205.348  -9.308   2.333
  732   1HB   ASN  83          HB2       ASN  83 207.449  -9.539   0.173
  733   2HB   ASN  83          HB1       ASN  83 206.174 -10.687   0.572
  734   1HD2  ASN  83          HD21      ASN  83 206.505  -9.905  -1.994
  735   2HD2  ASN  83          HD22      ASN  83 205.198  -8.887  -2.484
  736    H    ASN  84           HN       ASN  84 207.451  -7.643   3.669
  737    HA   ASN  84           HA       ASN  84 208.843  -8.086   5.427
  738   1HB   ASN  84          HB2       ASN  84 207.845 -10.520   5.185
  739   2HB   ASN  84          HB1       ASN  84 209.440 -10.871   4.524
  740   1HD2  ASN  84          HD21      ASN  84 207.772  -9.521   7.317
  741   2HD2  ASN  84          HD22      ASN  84 208.989  -9.934   8.471
  742    H    VAL  85           HN       VAL  85 209.529  -7.892   2.257
  743    HA   VAL  85           HA       VAL  85 212.423  -8.138   2.701
  744    HB   VAL  85           HB       VAL  85 211.525  -9.676   1.035
  745   1HG1  VAL  85          HG11      VAL  85 211.079  -8.271  -1.243
  746   2HG1  VAL  85          HG12      VAL  85 210.329  -7.234  -0.029
  747   3HG1  VAL  85          HG13      VAL  85 209.817  -8.913  -0.192
  748   1HG2  VAL  85          HG21      VAL  85 213.232  -7.639  -0.346
  749   2HG2  VAL  85          HG22      VAL  85 213.244  -9.392  -0.546
  750   3HG2  VAL  85          HG23      VAL  85 213.848  -8.669   0.946
  751    H    ILE  86           HN       ILE  86 213.771  -6.689   1.502
  752    HA   ILE  86           HA       ILE  86 212.665  -3.983   1.467
  753    HB   ILE  86           HB       ILE  86 215.534  -4.900   1.354
  754   1HG1  ILE  86          HG12      ILE  86 213.662  -4.219   3.573
  755   2HG1  ILE  86          HG11      ILE  86 214.915  -5.453   3.502
  756   1HG2  ILE  86          HG21      ILE  86 216.211  -2.721   1.313
  757   2HG2  ILE  86          HG22      ILE  86 214.765  -2.140   2.138
  758   3HG2  ILE  86          HG23      ILE  86 214.698  -2.550   0.425
  759   1HD1  ILE  86          HD11      ILE  86 215.479  -3.719   5.088
  760   2HD1  ILE  86          HD12      ILE  86 215.354  -2.500   3.823
  761   3HD1  ILE  86          HD13      ILE  86 216.617  -3.728   3.744
  762    HA   PRO  87           HA       PRO  87 212.749  -4.277  -3.026
  763   1HB   PRO  87          HB2       PRO  87 211.560  -1.921  -3.546
  764   2HB   PRO  87          HB1       PRO  87 210.650  -3.310  -2.938
  765   1HG   PRO  87          HG2       PRO  87 211.685  -0.926  -1.452
  766   2HG   PRO  87          HG1       PRO  87 210.112  -1.734  -1.316
  767   1HD   PRO  87          HD2       PRO  87 212.181  -2.147   0.423
  768   2HD   PRO  87          HD1       PRO  87 210.932  -3.359   0.079
  769    HA   PRO  88           HA       PRO  88 216.424  -1.977  -3.952
  770   1HB   PRO  88          HB2       PRO  88 215.708  -2.112  -6.788
  771   2HB   PRO  88          HB1       PRO  88 217.035  -2.902  -5.933
  772   1HG   PRO  88          HG2       PRO  88 214.926  -4.283  -6.895
  773   2HG   PRO  88          HG1       PRO  88 215.769  -4.757  -5.409
  774   1HD   PRO  88          HD2       PRO  88 213.191  -3.263  -5.726
  775   2HD   PRO  88          HD1       PRO  88 213.602  -4.580  -4.605
  776    H    THR  89           HN       THR  89 216.868   0.137  -3.999
  777    HA   THR  89           HA       THR  89 214.912   2.104  -4.285
  778    HB   THR  89           HB       THR  89 216.970   3.652  -4.556
  779    HG1  THR  89           HG1      THR  89 218.297   1.796  -5.243
  780   1HG2  THR  89          HG21      THR  89 215.743   2.847  -2.366
  781   2HG2  THR  89          HG22      THR  89 217.235   3.785  -2.308
  782   3HG2  THR  89          HG23      THR  89 217.284   2.035  -2.094
  783    H    SER  90           HN       SER  90 216.859   0.513  -6.660
  784    HA   SER  90           HA       SER  90 216.519   2.512  -8.698
  785   1HB   SER  90          HB2       SER  90 218.474   1.212  -8.935
  786   2HB   SER  90          HB1       SER  90 217.602  -0.299  -8.684
  787    HG   SER  90           HG       SER  90 217.367   1.425 -10.927
  788    H    ALA  91           HN       ALA  91 214.906  -0.455  -7.738
  789    HA   ALA  91           HA       ALA  91 213.364  -0.907 -10.024
  790   1HB   ALA  91          HB1       ALA  91 213.558  -2.526  -8.203
  791   2HB   ALA  91          HB2       ALA  91 211.869  -2.180  -8.575
  792   3HB   ALA  91          HB3       ALA  91 212.624  -1.461  -7.152
  793    H    THR  92           HN       THR  92 211.070  -0.520 -10.354
  794    HA   THR  92           HA       THR  92 210.299   2.148  -9.398
  795    HB   THR  92           HB       THR  92 208.978   2.385 -11.377
  796    HG1  THR  92           HG1      THR  92 208.376   0.749 -12.603
  797   1HG2  THR  92          HG21      THR  92 210.569   1.985 -13.213
  798   2HG2  THR  92          HG22      THR  92 211.591   1.082 -12.095
  799   3HG2  THR  92          HG23      THR  92 211.297   2.801 -11.829
  800    H    MET  93           HN       MET  93 208.175   2.564  -8.729
  801    HA   MET  93           HA       MET  93 207.004   0.788  -6.990
  802   1HB   MET  93          HB2       MET  93 205.945   3.156  -8.478
  803   2HB   MET  93          HB1       MET  93 204.865   2.193  -7.481
  804   1HG   MET  93          HG2       MET  93 207.358   2.965  -6.168
  805   2HG   MET  93          HG1       MET  93 206.318   4.311  -6.626
  806   1HE   MET  93          HE1       MET  93 205.655   1.031  -3.594
  807   2HE   MET  93          HE2       MET  93 206.620   0.964  -5.068
  808   3HE   MET  93          HE3       MET  93 204.893   0.609  -5.127
  809    H    GLY  94           HN       GLY  94 206.104   1.366 -10.378
  810   1HA   GLY  94          HA2       GLY  94 203.956  -0.430 -10.493
  811   2HA   GLY  94          HA1       GLY  94 204.924   0.077 -11.868
  812    H    GLN  95           HN       GLN  95 207.421  -0.958 -10.913
  813    HA   GLN  95           HA       GLN  95 207.260  -3.587 -11.896
  814   1HB   GLN  95          HB2       GLN  95 209.420  -2.143 -10.363
  815   2HB   GLN  95          HB1       GLN  95 209.612  -3.785 -10.958
  816   1HG   GLN  95          HG2       GLN  95 208.682  -2.020 -13.042
  817   2HG   GLN  95          HG1       GLN  95 210.178  -1.434 -12.316
  818   1HE2  GLN  95          HE21      GLN  95 211.191  -1.863 -14.338
  819   2HE2  GLN  95          HE22      GLN  95 211.671  -3.470 -14.755
  820    H    LEU  96           HN       LEU  96 207.422  -2.270  -8.631
  821    HA   LEU  96           HA       LEU  96 207.569  -4.773  -7.306
  822   1HB   LEU  96          HB2       LEU  96 206.413  -2.181  -6.264
  823   2HB   LEU  96          HB1       LEU  96 206.920  -3.553  -5.296
  824    HG   LEU  96           HG       LEU  96 208.671  -1.664  -6.858
  825   1HD1  LEU  96          HD11      LEU  96 208.116  -0.738  -4.766
  826   2HD1  LEU  96          HD12      LEU  96 209.715  -1.450  -4.556
  827   3HD1  LEU  96          HD13      LEU  96 208.289  -2.288  -3.942
  828   1HD2  LEU  96          HD21      LEU  96 210.566  -3.005  -6.251
  829   2HD2  LEU  96          HD22      LEU  96 209.417  -4.025  -7.116
  830   3HD2  LEU  96          HD23      LEU  96 209.543  -4.130  -5.360
  831    H    TYR  97           HN       TYR  97 204.898  -2.622  -8.172
  832    HA   TYR  97           HA       TYR  97 202.823  -4.104  -7.017
  833   1HB   TYR  97          HB2       TYR  97 202.461  -1.836  -7.803
  834   2HB   TYR  97          HB1       TYR  97 202.778  -2.336  -9.462
  835    HD1  TYR  97           HD1      TYR  97 200.301  -1.936  -6.928
  836    HD2  TYR  97           HD2      TYR  97 201.199  -4.067 -10.501
  837    HE1  TYR  97           HE1      TYR  97 197.910  -2.442  -7.219
  838    HE2  TYR  97           HE2      TYR  97 198.809  -4.574 -10.804
  839    HH   TYR  97           HH       TYR  97 196.356  -3.050  -8.966
  840    H    GLN  98           HN       GLN  98 204.583  -4.530  -9.993
  841    HA   GLN  98           HA       GLN  98 202.685  -6.418 -11.053
  842   1HB   GLN  98          HB2       GLN  98 205.471  -5.702 -11.955
  843   2HB   GLN  98          HB1       GLN  98 204.348  -6.723 -12.841
  844   1HG   GLN  98          HG2       GLN  98 202.976  -4.338 -12.282
  845   2HG   GLN  98          HG1       GLN  98 204.587  -3.877 -12.832
  846   1HE2  GLN  98          HE21      GLN  98 204.870  -3.721 -14.932
  847   2HE2  GLN  98          HE22      GLN  98 203.890  -4.456 -16.149
  848    H    GLU  99           HN       GLU  99 205.528  -6.526  -9.058
  849    HA   GLU  99           HA       GLU  99 205.493  -9.469  -9.229
  850   1HB   GLU  99          HB2       GLU  99 207.793  -7.566  -8.936
  851   2HB   GLU  99          HB1       GLU  99 207.941  -9.282  -8.576
  852   1HG   GLU  99          HG2       GLU  99 206.784  -9.279 -11.059
  853   2HG   GLU  99          HG1       GLU  99 207.876  -7.896 -11.133
  854    H    HIS 100           HN       HIS 100 204.322  -7.328  -7.204
  855    HA   HIS 100           HA       HIS 100 205.037  -8.946  -4.890
  856   1HB   HIS 100          HB2       HIS 100 205.476  -5.969  -5.003
  857   2HB   HIS 100          HB1       HIS 100 205.396  -6.875  -3.497
  858    HD1  HIS 100           HD1      HIS 100 207.495  -8.004  -2.736
  859    HD2  HIS 100           HD2      HIS 100 207.716  -6.738  -6.687
  860    HE1  HIS 100           HE1      HIS 100 209.885  -8.368  -3.424
  861    HE2  HIS 100           HE2      HIS 100 210.019  -7.495  -5.784
  862    H    HIS 101           HN       HIS 101 202.751  -6.994  -6.528
  863    HA   HIS 101           HA       HIS 101 201.040  -6.310  -4.429
  864   1HB   HIS 101          HB2       HIS 101 199.375  -5.888  -6.050
  865   2HB   HIS 101          HB1       HIS 101 200.898  -5.558  -6.864
  866    HD1  HIS 101           HD1      HIS 101 201.794  -7.846  -8.258
  867    HD2  HIS 101           HD2      HIS 101 197.724  -7.410  -7.544
  868    HE1  HIS 101           HE1      HIS 101 200.655  -9.344  -9.925
  869    HE2  HIS 101           HE2      HIS 101 198.191  -8.996  -9.531
  870    H    GLU 102           HN       GLU 102 200.483  -7.755  -2.920
  871    HA   GLU 102           HA       GLU 102 200.027 -10.511  -3.464
  872   1HB   GLU 102          HB2       GLU 102 199.440  -8.799  -1.045
  873   2HB   GLU 102          HB1       GLU 102 199.159 -10.534  -1.092
  874   1HG   GLU 102          HG2       GLU 102 201.770 -10.256  -1.959
  875   2HG   GLU 102          HG1       GLU 102 201.612  -9.059  -0.676
  876    H    GLU 103           HN       GLU 103 198.475  -9.828  -5.288
  877    HA   GLU 103           HA       GLU 103 196.374  -9.736  -6.159
  878   1HB   GLU 103          HB2       GLU 103 196.451 -11.847  -4.471
  879   2HB   GLU 103          HB1       GLU 103 195.135 -10.932  -3.751
  880   1HG   GLU 103          HG2       GLU 103 193.773 -11.823  -5.244
  881   2HG   GLU 103          HG1       GLU 103 194.630 -10.932  -6.500
  882    H    ASP 104           HN       ASP 104 193.883  -9.307  -5.284
  883    HA   ASP 104           HA       ASP 104 192.416  -7.769  -4.438
  884   1HB   ASP 104          HB2       ASP 104 194.313  -8.063  -2.408
  885   2HB   ASP 104          HB1       ASP 104 194.186  -6.322  -2.640
  886    H    PHE 105           HN       PHE 105 194.835  -7.184  -6.401
  887    HA   PHE 105           HA       PHE 105 195.503  -5.477  -7.738
  888   1HB   PHE 105          HB2       PHE 105 192.858  -4.293  -6.877
  889   2HB   PHE 105          HB1       PHE 105 193.820  -3.748  -8.248
  890    HD1  PHE 105           HD1      PHE 105 193.492  -4.686 -10.341
  891    HD2  PHE 105           HD2      PHE 105 192.098  -6.747  -6.890
  892    HE1  PHE 105           HE1      PHE 105 192.376  -6.336 -11.783
  893    HE2  PHE 105           HE2      PHE 105 190.977  -8.401  -8.325
  894    HZ   PHE 105           HZ       PHE 105 191.115  -8.197 -10.776
  895    H    PHE 106           HN       PHE 106 195.990  -5.349  -4.721
  896    HA   PHE 106           HA       PHE 106 196.662  -2.491  -4.604
  897   1HB   PHE 106          HB2       PHE 106 195.392  -4.265  -2.650
  898   2HB   PHE 106          HB1       PHE 106 196.740  -3.345  -1.989
  899    HD1  PHE 106           HD1      PHE 106 195.514  -1.914  -0.561
  900    HD2  PHE 106           HD2      PHE 106 194.524  -2.192  -4.691
  901    HE1  PHE 106           HE1      PHE 106 194.061   0.061  -0.338
  902    HE2  PHE 106           HE2      PHE 106 193.068  -0.207  -4.474
  903    HZ   PHE 106           HZ       PHE 106 192.838   0.916  -2.299
  904    H    LEU 107           HN       LEU 107 198.573  -1.948  -3.365
  905    HA   LEU 107           HA       LEU 107 200.616  -4.069  -3.352
  906   1HB   LEU 107          HB2       LEU 107 200.822  -2.505  -5.278
  907   2HB   LEU 107          HB1       LEU 107 201.035  -1.187  -4.144
  908    HG   LEU 107           HG       LEU 107 203.177  -1.826  -5.043
  909   1HD1  LEU 107          HD11      LEU 107 203.035  -2.921  -2.246
  910   2HD1  LEU 107          HD12      LEU 107 203.032  -1.200  -2.642
  911   3HD1  LEU 107          HD13      LEU 107 204.422  -2.202  -3.061
  912   1HD2  LEU 107          HD21      LEU 107 202.167  -4.350  -5.207
  913   2HD2  LEU 107          HD22      LEU 107 203.259  -4.500  -3.831
  914   3HD2  LEU 107          HD23      LEU 107 203.872  -3.936  -5.385
  915    H    TYR 108           HN       TYR 108 200.254  -4.327  -1.106
  916    HA   TYR 108           HA       TYR 108 200.503  -2.081   0.659
  917   1HB   TYR 108          HB2       TYR 108 199.654  -3.444   2.242
  918   2HB   TYR 108          HB1       TYR 108 199.243  -4.448   0.863
  919    HD1  TYR 108           HD1      TYR 108 200.109  -4.762   3.970
  920    HD2  TYR 108           HD2      TYR 108 201.738  -5.782   0.198
  921    HE1  TYR 108           HE1      TYR 108 201.353  -6.619   5.027
  922    HE2  TYR 108           HE2      TYR 108 202.987  -7.643   1.218
  923    HH   TYR 108           HH       TYR 108 202.361  -9.037   3.879
  924    H    ILE 109           HN       ILE 109 202.154  -1.439   1.886
  925    HA   ILE 109           HA       ILE 109 204.731  -2.837   1.673
  926    HB   ILE 109           HB       ILE 109 204.233   0.079   1.096
  927   1HG1  ILE 109          HG12      ILE 109 204.798  -2.319  -0.602
  928   2HG1  ILE 109          HG11      ILE 109 203.590  -1.058  -0.813
  929   1HG2  ILE 109          HG21      ILE 109 206.680   0.095   0.487
  930   2HG2  ILE 109          HG22      ILE 109 206.810  -1.470   1.287
  931   3HG2  ILE 109          HG23      ILE 109 206.330  -0.044   2.208
  932   1HD1  ILE 109          HD11      ILE 109 205.000  -0.412  -2.440
  933   2HD1  ILE 109          HD12      ILE 109 206.402  -1.154  -1.666
  934   3HD1  ILE 109          HD13      ILE 109 205.806   0.406  -1.101
  935    H    ALA 110           HN       ALA 110 206.378  -1.896   3.169
  936    HA   ALA 110           HA       ALA 110 205.252  -0.578   5.547
  937   1HB   ALA 110          HB1       ALA 110 205.292  -2.699   6.417
  938   2HB   ALA 110          HB2       ALA 110 206.919  -2.150   6.817
  939   3HB   ALA 110          HB3       ALA 110 206.660  -3.196   5.424
  940    H    TYR 111           HN       TYR 111 206.925   0.366   6.932
  941    HA   TYR 111           HA       TYR 111 209.510   0.800   5.654
  942   1HB   TYR 111          HB2       TYR 111 209.351   3.165   5.557
  943   2HB   TYR 111          HB1       TYR 111 207.882   2.551   4.814
  944    HD1  TYR 111           HD1      TYR 111 209.259   4.062   7.873
  945    HD2  TYR 111           HD2      TYR 111 205.755   3.091   5.701
  946    HE1  TYR 111           HE1      TYR 111 207.932   5.408   9.446
  947    HE2  TYR 111           HE2      TYR 111 204.402   4.436   7.247
  948    HH   TYR 111           HH       TYR 111 204.714   6.306   8.823
  949    H    SER 112           HN       SER 112 211.088   0.758   7.111
  950    HA   SER 112           HA       SER 112 210.486   1.447   9.921
  951   1HB   SER 112          HB2       SER 112 210.805  -0.717  10.423
  952   2HB   SER 112          HB1       SER 112 211.398  -1.086   8.806
  953    HG   SER 112           HG       SER 112 212.818  -0.289  11.094
  954    H    ASP 113           HN       ASP 113 212.536   1.817  11.192
  955    HA   ASP 113           HA       ASP 113 214.242   3.601   9.658
  956   1HB   ASP 113          HB2       ASP 113 213.247   4.301  11.838
  957   2HB   ASP 113          HB1       ASP 113 214.231   3.076  12.636
  958    H    GLU 114           HN       GLU 114 214.312   0.432  10.012
  959    HA   GLU 114           HA       GLU 114 217.252   0.314  10.090
  960   1HB   GLU 114          HB2       GLU 114 215.467  -1.813  11.270
  961   2HB   GLU 114          HB1       GLU 114 217.219  -1.707  11.370
  962   1HG   GLU 114          HG2       GLU 114 215.613   0.524  12.487
  963   2HG   GLU 114          HG1       GLU 114 215.667  -0.999  13.373
  964    H    SER 115           HN       SER 115 217.928  -1.992   9.289
  965    HA   SER 115           HA       SER 115 216.829  -2.221   6.634
  966   1HB   SER 115          HB2       SER 115 218.618  -3.919   6.288
  967   2HB   SER 115          HB1       SER 115 219.233  -2.375   6.880
  968    HG   SER 115           HG       SER 115 219.940  -3.357   8.591
  969    H    VAL 116           HN       VAL 116 215.692  -3.382   9.423
  970    HA   VAL 116           HA       VAL 116 214.752  -5.884   8.203
  971    HB   VAL 116           HB       VAL 116 214.123  -5.837  10.990
  972   1HG1  VAL 116          HG11      VAL 116 216.207  -7.549   9.661
  973   2HG1  VAL 116          HG12      VAL 116 214.478  -7.770   9.391
  974   3HG1  VAL 116          HG13      VAL 116 215.148  -7.954  11.013
  975   1HG2  VAL 116          HG21      VAL 116 216.305  -5.793  12.030
  976   2HG2  VAL 116          HG22      VAL 116 216.015  -4.259  11.211
  977   3HG2  VAL 116          HG23      VAL 116 217.076  -5.463  10.478
  978    H    TYR 117           HN       TYR 117 212.491  -6.402   8.773
  979    HA   TYR 117           HA       TYR 117 210.800  -4.218   8.243
  980   1HB   TYR 117          HB2       TYR 117 210.038  -6.399   7.612
  981   2HB   TYR 117          HB1       TYR 117 210.185  -6.996   9.264
  982    HD1  TYR 117           HD1      TYR 117 208.050  -7.544  10.004
  983    HD2  TYR 117           HD2      TYR 117 208.634  -3.897   7.898
  984    HE1  TYR 117           HE1      TYR 117 205.715  -6.915  10.452
  985    HE2  TYR 117           HE2      TYR 117 206.301  -3.264   8.329
  986    HH   TYR 117           HH       TYR 117 204.119  -4.490   8.832
  987    H    GLY 118           HN       GLY 118 211.799  -2.861  10.019
  988   1HA   GLY 118          HA2       GLY 118 211.458  -1.691  11.961
  989   2HA   GLY 118          HA1       GLY 118 209.913  -2.521  12.092
  990    H    LEU 119           HN       LEU 119 210.173  -4.906  12.703
  991    HA   LEU 119           HA       LEU 119 210.632  -5.459  15.178
  992   1HB   LEU 119          HB2       LEU 119 211.478  -7.065  12.799
  993   2HB   LEU 119          HB1       LEU 119 211.731  -7.690  14.421
  994    HG   LEU 119           HG       LEU 119 209.019  -6.694  14.035
  995   1HD1  LEU 119          HD11      LEU 119 208.280  -7.881  12.275
  996   2HD1  LEU 119          HD12      LEU 119 209.332  -9.251  12.627
  997   3HD1  LEU 119          HD13      LEU 119 209.968  -7.851  11.764
  998   1HD2  LEU 119          HD21      LEU 119 208.455  -8.811  15.066
  999   2HD2  LEU 119          HD22      LEU 119 209.784  -8.038  15.934
 1000   3HD2  LEU 119          HD23      LEU 119 210.109  -9.385  14.843