*HEADER    IMMUNE SYSTEM                           29-APR-18   6GF2              
*TITLE     THE STRUCTURE OF THE UBIQUITIN-LIKE MODIFIER FAT10 REVEALS A NOVEL    
*TITLE    2 TARGETING MECHANISM FOR DEGRADATION BY THE 26S PROTEASOME            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN D;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DIUBIQUITIN,UBIQUITIN-LIKE PROTEIN FAT10;                   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: UBD, FAT10;                                                    
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VARIANT: CODONPLUS RIL                             
*KEYWDS    FAT10, UBIQUITIN-LIKE MODIFIER, PROTEASOME, DEGRADATION, IMMUNE       
*KEYWDS   2 SYSTEM                                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.AICHEM,S.ANDERS,N.CATONE,P.ROESSLER,S.STOTZ,A.BERG,R.SCHWAB,        
*AUTHOR   2 S.SCHEUERMANN,J.BIALAS,G.SCHMIDTKE,C.PETER,M.GROETTRUP,S.WIESNER     
*REVDAT   1   08-AUG-18 6GF2    0                                                
# Restraints file 1: unambig.tbl
 ASSI {    3}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.800     0.900     0.900 peak     3 spectrum    1 weight  0.11000E+01 volume  0.23637E-02 ppm1      8.264 ppm2      4.195 CV     1
 ASSI {    4}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak     4 spectrum    1 weight  0.11000E+01 volume  0.60052E-02 ppm1      8.264 ppm2      2.008 CV     1
 ASSI {    9}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.600     0.900     0.900 peak     9 spectrum    1 weight  0.11000E+01 volume  0.30675E-02 ppm1      8.521 ppm2      1.791 CV     1
 ASSI {   10}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.11000E+01 volume  0.51702E-02 ppm1      8.521 ppm2      2.151 CV     1
 ASSI {   11}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG3 ))
      2.500     0.800     0.800 peak    11 spectrum    1 weight  0.11000E+01 volume  0.46471E-02 ppm1      8.521 ppm2      1.999 CV     1
 ASSI {   13}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.11000E+01 volume  0.24032E-02 ppm1      9.087 ppm2      4.859 CV     1
 ASSI {   14}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.300     0.700     0.700 peak    14 spectrum    1 weight  0.11000E+01 volume  0.64390E-02 ppm1      9.087 ppm2      1.698 CV     1
 ASSI {   15}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.100     1.200     1.200 peak    15 spectrum    1 weight  0.11000E+01 volume  0.11999E-02 ppm1      9.087 ppm2      1.024 CV     1
 ASSI {   16}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG  ))
      2.500     0.800     0.800 peak    16 spectrum    1 weight  0.11000E+01 volume  0.47488E-02 ppm1      9.087 ppm2      1.707 CV     1
 ASSI {   18}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      3.100     1.200     1.200 peak    18 spectrum    1 weight  0.11000E+01 volume  0.11117E-02 ppm1      9.087 ppm2      0.822 CV     1
 ASSI {   21}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.11000E+01 volume  0.21489E-02 ppm1      8.711 ppm2      1.421 CV     1
 ASSI {   22}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.700     0.900     0.900 peak    22 spectrum    1 weight  0.11000E+01 volume  0.29591E-02 ppm1      8.711 ppm2      1.311 CV     1
 ASSI {   23}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      2.700     0.900     0.900 peak    23 spectrum    1 weight  0.11000E+01 volume  0.28687E-02 ppm1      8.711 ppm2      1.677 CV     1
 ASSI {   24}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.100     1.200     1.200 peak    24 spectrum    1 weight  0.11000E+01 volume  0.12292E-02 ppm1      8.711 ppm2      0.817 CV     1
 ASSI {   29}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.900     1.100     1.100 peak    29 spectrum    1 weight  0.11000E+01 volume  0.16326E-02 ppm1      8.239 ppm2      2.558 CV     1
 ASSI {   31}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak    31 spectrum    1 weight  0.11000E+01 volume  0.13400E-02 ppm1      9.308 ppm2      5.051 CV     1
 ASSI {   32}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.800     0.800 peak    32 spectrum    1 weight  0.11000E+01 volume  0.33274E-02 ppm1      9.308 ppm2      1.995 CV     1
 ASSI {   35}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.400     1.400     1.400 peak    35 spectrum    1 weight  0.11000E+01 volume  0.70255E-03 ppm1      9.308 ppm2      0.906 CV     1
 ASSI {   36}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.100     1.200     1.200 peak    36 spectrum    1 weight  0.11000E+01 volume  0.10578E-02 ppm1      9.308 ppm2      0.803 CV     1
 ASSI {   38}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak    38 spectrum    1 weight  0.11000E+01 volume  0.14519E-02 ppm1      9.164 ppm2      4.527 CV     1
 ASSI {   39}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      2.600     0.800     0.800 peak    39 spectrum    1 weight  0.11000E+01 volume  0.33839E-02 ppm1      9.164 ppm2      1.689 CV     1
 ASSI {   41}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      2.700     0.900     0.900 peak    41 spectrum    1 weight  0.11000E+01 volume  0.26902E-02 ppm1      9.164 ppm2      0.602 CV     1
 ASSI {   43}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak    43 spectrum    1 weight  0.11000E+01 volume  0.80208E-02 ppm1      8.733 ppm2      4.527 CV     1
 ASSI {   44}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.800     0.800 peak    44 spectrum    1 weight  0.11000E+01 volume  0.34144E-02 ppm1      8.733 ppm2      2.326 CV     1
 ASSI {   45}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.600     0.800     0.800 peak    45 spectrum    1 weight  0.11000E+01 volume  0.36461E-02 ppm1      8.733 ppm2      2.128 CV     1
 ASSI {   46}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      2.900     1.000     1.000 peak    46 spectrum    1 weight  0.11000E+01 volume  0.19106E-02 ppm1      8.733 ppm2      2.385 CV     1
 ASSI {   53}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA2 ))
      2.900     1.100     1.100 peak    53 spectrum    1 weight  0.11000E+01 volume  0.16044E-02 ppm1      8.585 ppm2      3.952 CV     1
 ASSI {   55}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak    55 spectrum    1 weight  0.11000E+01 volume  0.30314E-03 ppm1      8.195 ppm2      4.550 CV     1
 ASSI {   57}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.500     1.500     1.500 peak    57 spectrum    1 weight  0.11000E+01 volume  0.57826E-03 ppm1      8.195 ppm2      2.569 CV     1
 ASSI {   61}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.800     0.900     0.900 peak    61 spectrum    1 weight  0.11000E+01 volume  0.23455E-02 ppm1      8.556 ppm2      1.957 CV     1
 ASSI {   64}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.600     0.600 peak    64 spectrum    1 weight  0.11000E+01 volume  0.73531E-02 ppm1      7.989 ppm2      4.182 CV     1
 ASSI {   65}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      2.400     0.700     0.700 peak    65 spectrum    1 weight  0.11000E+01 volume  0.52719E-02 ppm1      7.989 ppm2      1.368 CV     1
 ASSI {   67}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.11000E+01 volume  0.86366E-02 ppm1      7.959 ppm2      4.195 CV     1
 ASSI {   70}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      2.400     0.700     0.700 peak    70 spectrum    1 weight  0.11000E+01 volume  0.58097E-02 ppm1      7.959 ppm2      1.712 CV     1
 ASSI {   71}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG3 ))
      2.800     1.000     1.000 peak    71 spectrum    1 weight  0.11000E+01 volume  0.21150E-02 ppm1      7.959 ppm2      1.263 CV     1
 ASSI {   72}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      2.600     0.800     0.800 peak    72 spectrum    1 weight  0.11000E+01 volume  0.36156E-02 ppm1      7.959 ppm2      1.349 CV     1
 ASSI {   73}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HD3 ))
      2.900     1.100     1.100 peak    73 spectrum    1 weight  0.11000E+01 volume  0.16326E-02 ppm1      7.959 ppm2      1.249 CV     1
 ASSI {   75}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HE3 ))
      4.400     2.400     1.600 peak    75 spectrum    1 weight  0.11000E+01 volume  0.14021E-03 ppm1      7.959 ppm2      3.002 CV     1
 ASSI {   77}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak    77 spectrum    1 weight  0.11000E+01 volume  0.14304E-02 ppm1      7.873 ppm2      5.371 CV     1
 ASSI {   79}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.900     1.000     1.000 peak    79 spectrum    1 weight  0.11000E+01 volume  0.18891E-02 ppm1      7.873 ppm2      1.523 CV     1
 ASSI {   81}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HD3 ))
      4.200     2.200     1.800 peak    81 spectrum    1 weight  0.11000E+01 volume  0.18824E-03 ppm1      7.873 ppm2      2.765 CV     1
 ASSI {   84}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.800     0.800 peak    84 spectrum    1 weight  0.11000E+01 volume  0.33478E-02 ppm1      9.192 ppm2      2.916 CV     1
 ASSI {   86}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.200     1.200 peak    86 spectrum    1 weight  0.11000E+01 volume  0.10295E-02 ppm1      8.894 ppm2      4.438 CV     1
 ASSI {   87}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     0.800     0.800 peak    87 spectrum    1 weight  0.11000E+01 volume  0.35274E-02 ppm1      8.894 ppm2      1.727 CV     1
 ASSI {   88}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.600     0.900     0.900 peak    88 spectrum    1 weight  0.11000E+01 volume  0.31681E-02 ppm1      8.894 ppm2      1.497 CV     1
 ASSI {   89}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG  ))
      3.500     1.500     1.500 peak    89 spectrum    1 weight  0.11000E+01 volume  0.56730E-03 ppm1      8.894 ppm2      1.230 CV     1
 ASSI {   90}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HD1%)
      3.400     1.400     1.400 peak    90 spectrum    1 weight  0.11000E+01 volume  0.71802E-03 ppm1      8.894 ppm2      0.751 CV     1
 ASSI {   91}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HD2%)
      3.600     1.700     1.700 peak    91 spectrum    1 weight  0.11000E+01 volume  0.44086E-03 ppm1      8.894 ppm2      0.563 CV     1
 ASSI {   94}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.700     0.900     0.900 peak    94 spectrum    1 weight  0.11000E+01 volume  0.26902E-02 ppm1      9.084 ppm2      1.475 CV     1
 ASSI {   95}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.800     1.000     1.000 peak    95 spectrum    1 weight  0.11000E+01 volume  0.21411E-02 ppm1      9.084 ppm2      1.339 CV     1
 ASSI {   96}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG  ))
      3.100     1.200     1.200 peak    96 spectrum    1 weight  0.11000E+01 volume  0.12021E-02 ppm1      9.084 ppm2      1.619 CV     1
 ASSI {   97}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      2.800     1.000     1.000 peak    97 spectrum    1 weight  0.11000E+01 volume  0.22472E-02 ppm1      9.084 ppm2      0.735 CV     1
 ASSI {  100}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak   100 spectrum    1 weight  0.11000E+01 volume  0.37432E-02 ppm1      8.210 ppm2      1.843 CV     1
 ASSI {  101}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.800     1.000     1.000 peak   101 spectrum    1 weight  0.11000E+01 volume  0.20722E-02 ppm1      8.210 ppm2      1.703 CV     1
 ASSI {  103}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      2.800     0.900     0.900 peak   103 spectrum    1 weight  0.11000E+01 volume  0.23489E-02 ppm1      8.210 ppm2      2.160 CV     1
 ASSI {  106}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.600     0.800     0.800 peak   106 spectrum    1 weight  0.11000E+01 volume  0.33783E-02 ppm1      8.604 ppm2      1.944 CV     1
 ASSI {  112}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.300     0.700     0.700 peak   112 spectrum    1 weight  0.11000E+01 volume  0.65113E-02 ppm1      8.542 ppm2      1.676 CV     1
 ASSI {  115}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD3 ))
      3.600     1.600     1.600 peak   115 spectrum    1 weight  0.11000E+01 volume  0.48459E-03 ppm1      8.542 ppm2      3.108 CV     1
 ASSI {  118}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak   118 spectrum    1 weight  0.11000E+01 volume  0.47420E-02 ppm1      9.261 ppm2      1.948 CV     1
 ASSI {  119}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.600     0.900     0.900 peak   119 spectrum    1 weight  0.11000E+01 volume  0.29772E-02 ppm1      9.261 ppm2      1.825 CV     1
 ASSI {  120}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG3 ))
      2.800     1.000     1.000 peak   120 spectrum    1 weight  0.11000E+01 volume  0.19591E-02 ppm1      9.261 ppm2      1.633 CV     1
 ASSI {  121}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.500     1.500     1.500 peak   121 spectrum    1 weight  0.11000E+01 volume  0.58368E-03 ppm1      9.261 ppm2      3.300 CV     1
 ASSI {  125}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.900     1.100     1.100 peak   125 spectrum    1 weight  0.11000E+01 volume  0.16044E-02 ppm1      7.858 ppm2      3.798 CV     1
 ASSI {  127}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   127 spectrum    1 weight  0.11000E+01 volume  0.38664E-02 ppm1      7.762 ppm2      4.629 CV     1
 ASSI {  133}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.000     1.100     1.100 peak   133 spectrum    1 weight  0.11000E+01 volume  0.15027E-02 ppm1      9.261 ppm2      4.092 CV     1
 ASSI {  135}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak   135 spectrum    1 weight  0.11000E+01 volume  0.20201E-02 ppm1      8.597 ppm2      3.568 CV     1
 ASSI {  136}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      2.300     2.300     3.700 peak   136 spectrum    1 weight  0.11000E+01 volume  0.70039E-02 ppm1      8.597 ppm2      2.149 CV     1
 ASSI {  137}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      2.400     0.700     0.700 peak   137 spectrum    1 weight  0.11000E+01 volume  0.57950E-02 ppm1      8.597 ppm2      1.062 CV     1
 ASSI {  141}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      2.200     0.600     0.600 peak   141 spectrum    1 weight  0.11000E+01 volume  0.81542E-02 ppm1      8.528 ppm2      1.497 CV     1
 ASSI {  143}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak   143 spectrum    1 weight  0.11000E+01 volume  0.37590E-02 ppm1      8.179 ppm2      4.080 CV     1
 ASSI {  144}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   144 spectrum    1 weight  0.11000E+01 volume  0.57736E-02 ppm1      8.179 ppm2      2.589 CV     1
 ASSI {  145}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.700     0.900     0.900 peak   145 spectrum    1 weight  0.11000E+01 volume  0.25230E-02 ppm1      8.179 ppm2      2.072 CV     1
 ASSI {  146}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.200     0.600     0.600 peak   146 spectrum    1 weight  0.11000E+01 volume  0.86265E-02 ppm1      8.179 ppm2      2.520 CV     1
 ASSI {  148}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak   148 spectrum    1 weight  0.11000E+01 volume  0.24111E-02 ppm1      7.966 ppm2      3.871 CV     1
 ASSI {  149}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      2.300     0.700     0.700 peak   149 spectrum    1 weight  0.11000E+01 volume  0.65520E-02 ppm1      7.966 ppm2      2.213 CV     1
 ASSI {  153}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak   153 spectrum    1 weight  0.11000E+01 volume  0.21998E-02 ppm1      9.022 ppm2      4.386 CV     1
 ASSI {  154}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak   154 spectrum    1 weight  0.11000E+01 volume  0.36506E-02 ppm1      9.022 ppm2      1.893 CV     1
 ASSI {  155}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.400     0.700     0.700 peak   155 spectrum    1 weight  0.11000E+01 volume  0.56639E-02 ppm1      9.022 ppm2      1.593 CV     1
 ASSI {  158}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HD2 ))
      2.600     0.900     0.900 peak   158 spectrum    1 weight  0.11000E+01 volume  0.32449E-02 ppm1      9.022 ppm2      1.666 CV     1
 ASSI {  159}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HD3 ))
      2.700     0.900     0.900 peak   159 spectrum    1 weight  0.11000E+01 volume  0.24292E-02 ppm1      9.022 ppm2      1.446 CV     1
 ASSI {  161}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HE3 ))
      3.500     1.600     1.600 peak   161 spectrum    1 weight  0.11000E+01 volume  0.52696E-03 ppm1      9.022 ppm2      2.573 CV     1
 ASSI {  164}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HB% )
      2.100     0.500     0.500 peak   164 spectrum    1 weight  0.11000E+01 volume  0.13106E-01 ppm1      8.005 ppm2      1.574 CV     1
 ASSI {  166}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.11000E+01 volume  0.28213E-02 ppm1      7.761 ppm2      4.238 CV     1
 ASSI {  168}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.700     0.900     0.900 peak   168 spectrum    1 weight  0.11000E+01 volume  0.28179E-02 ppm1      7.761 ppm2      2.099 CV     1
 ASSI {  169}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      2.400     0.700     0.700 peak   169 spectrum    1 weight  0.11000E+01 volume  0.57080E-02 ppm1      7.761 ppm2      2.954 CV     1
 ASSI {  170}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
      2.700     0.900     0.900 peak   170 spectrum    1 weight  0.11000E+01 volume  0.26326E-02 ppm1      7.761 ppm2      2.668 CV     1
 ASSI {  173}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.500     0.800     0.800 peak   173 spectrum    1 weight  0.11000E+01 volume  0.41749E-02 ppm1      8.642 ppm2      2.226 CV     1
 ASSI {  175}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      2.500     0.800     0.800 peak   175 spectrum    1 weight  0.11000E+01 volume  0.42211E-02 ppm1      8.642 ppm2      1.983 CV     1
 ASSI {  176}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG13))
      2.800     1.000     1.000 peak   176 spectrum    1 weight  0.11000E+01 volume  0.20642E-02 ppm1      8.642 ppm2      0.833 CV     1
 ASSI {  177}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      2.300     0.700     0.700 peak   177 spectrum    1 weight  0.11000E+01 volume  0.61724E-02 ppm1      8.642 ppm2      0.758 CV     1
 ASSI {  179}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.11000E+01 volume  0.21150E-02 ppm1      8.470 ppm2      3.926 CV     1
 ASSI {  180}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.900     0.900 peak   180 spectrum    1 weight  0.11000E+01 volume  0.29806E-02 ppm1      8.470 ppm2      2.366 CV     1
 ASSI {  181}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.11000E+01 volume  0.28574E-02 ppm1      8.470 ppm2      1.829 CV     1
 ASSI {  182}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.100     1.200     1.200 peak   182 spectrum    1 weight  0.11000E+01 volume  0.10834E-02 ppm1      8.470 ppm2      2.023 CV     1
 ASSI {  186}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.500     0.800     0.800 peak   186 spectrum    1 weight  0.11000E+01 volume  0.43590E-02 ppm1      7.911 ppm2      4.284 CV     1
 ASSI {  189}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   189 spectrum    1 weight  0.11000E+01 volume  0.33896E-02 ppm1      7.223 ppm2      4.271 CV     1
 ASSI {  191}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.600     2.600     3.400 peak   191 spectrum    1 weight  0.11000E+01 volume  0.30393E-02 ppm1      7.223 ppm2      1.292 CV     1
 ASSI {  192}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
      2.700     0.900     0.900 peak   192 spectrum    1 weight  0.11000E+01 volume  0.27919E-02 ppm1      7.223 ppm2      1.605 CV     1
 ASSI {  194}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HD3 ))
      2.900     1.100     1.100 peak   194 spectrum    1 weight  0.11000E+01 volume  0.17230E-02 ppm1      7.223 ppm2      1.081 CV     1
 ASSI {  198}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.100     1.200     1.200 peak   198 spectrum    1 weight  0.11000E+01 volume  0.12214E-02 ppm1      7.795 ppm2      4.182 CV     1
 ASSI {  199}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      2.600     0.800     0.800 peak   199 spectrum    1 weight  0.11000E+01 volume  0.34461E-02 ppm1      7.795 ppm2      0.855 CV     1
 ASSI {  202}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA2 ))
      2.600     0.800     0.800 peak   202 spectrum    1 weight  0.11000E+01 volume  0.34302E-02 ppm1      8.926 ppm2      3.811 CV     1
 ASSI {  204}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.11000E+01 volume  0.29670E-02 ppm1      7.688 ppm2      4.050 CV     1
 ASSI {  205}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      2.300     0.700     0.700 peak   205 spectrum    1 weight  0.11000E+01 volume  0.63102E-02 ppm1      7.688 ppm2      1.556 CV     1
 ASSI {  207}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      2.500     0.800     0.800 peak   207 spectrum    1 weight  0.11000E+01 volume  0.44675E-02 ppm1      7.688 ppm2      1.350 CV     1
 ASSI {  209}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      2.600     0.800     0.800 peak   209 spectrum    1 weight  0.11000E+01 volume  0.33737E-02 ppm1      7.688 ppm2      0.783 CV     1
 ASSI {  213}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      2.600     0.800     0.800 peak   213 spectrum    1 weight  0.11000E+01 volume  0.35071E-02 ppm1      8.163 ppm2      1.105 CV     1
 ASSI {  215}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      3.000     1.100     1.100 peak   215 spectrum    1 weight  0.11000E+01 volume  0.13671E-02 ppm1      8.163 ppm2      0.929 CV     1
 ASSI {  217}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak   217 spectrum    1 weight  0.11000E+01 volume  0.25275E-02 ppm1      9.172 ppm2      4.182 CV     1
 ASSI {  218}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.11000E+01 volume  0.29048E-02 ppm1      9.172 ppm2      2.132 CV     1
 ASSI {  219}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.11000E+01 volume  0.56493E-02 ppm1      9.172 ppm2      2.058 CV     1
 ASSI {  221}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG3 ))
      2.700     0.900     0.900 peak   221 spectrum    1 weight  0.11000E+01 volume  0.26326E-02 ppm1      9.172 ppm2      2.288 CV     1
 ASSI {  223}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.11000E+01 volume  0.25603E-02 ppm1      7.902 ppm2      4.412 CV     1
 ASSI {  224}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      2.600     0.900     0.900 peak   224 spectrum    1 weight  0.11000E+01 volume  0.32449E-02 ppm1      7.902 ppm2      4.246 CV     1
 ASSI {  225}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      2.700     0.900     0.900 peak   225 spectrum    1 weight  0.11000E+01 volume  0.28789E-02 ppm1      7.902 ppm2      1.203 CV     1
 ASSI {  227}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.700     0.900     0.900 peak   227 spectrum    1 weight  0.11000E+01 volume  0.25738E-02 ppm1      7.284 ppm2      4.003 CV     1
 ASSI {  233}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   233 spectrum    1 weight  0.11000E+01 volume  0.25705E-02 ppm1      8.635 ppm2      4.112 CV     1
 ASSI {  234}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.11000E+01 volume  0.50685E-02 ppm1      8.635 ppm2      1.752 CV     1
 ASSI {  235}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      2.900     1.000     1.000 peak   235 spectrum    1 weight  0.11000E+01 volume  0.18180E-02 ppm1      8.635 ppm2      0.784 CV     1
 ASSI {  236}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG12))
      2.400     0.700     0.700 peak   236 spectrum    1 weight  0.11000E+01 volume  0.58244E-02 ppm1      8.635 ppm2      0.882 CV     1
 ASSI {  239}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   239 spectrum    1 weight  0.11000E+01 volume  0.13728E-02 ppm1      8.892 ppm2      5.280 CV     1
 ASSI {  240}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      2.600     0.800     0.800 peak   240 spectrum    1 weight  0.11000E+01 volume  0.35127E-02 ppm1      8.892 ppm2      1.728 CV     1
 ASSI {  241}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HG1%)
      2.700     0.900     0.900 peak   241 spectrum    1 weight  0.11000E+01 volume  0.27523E-02 ppm1      8.892 ppm2      0.943 CV     1
 ASSI {  249}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak   249 spectrum    1 weight  0.11000E+01 volume  0.20563E-02 ppm1      8.839 ppm2      1.691 CV     1
 ASSI {  250}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.900     1.000     1.000 peak   250 spectrum    1 weight  0.11000E+01 volume  0.19004E-02 ppm1      8.839 ppm2      1.177 CV     1
 ASSI {  253}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      3.000     1.200     1.200 peak   253 spectrum    1 weight  0.11000E+01 volume  0.13106E-02 ppm1      8.839 ppm2      0.742 CV     1
 ASSI {  261}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.000     1.000 peak   261 spectrum    1 weight  0.11000E+01 volume  0.18440E-02 ppm1      7.923 ppm2      4.766 CV     1
 ASSI {  262}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.300     0.700     0.700 peak   262 spectrum    1 weight  0.11000E+01 volume  0.72096E-02 ppm1      7.923 ppm2      2.059 CV     1
 ASSI {  263}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      3.200     1.300     1.300 peak   263 spectrum    1 weight  0.11000E+01 volume  0.95123E-03 ppm1      7.923 ppm2      1.842 CV     1
 ASSI {  264}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
      2.900     1.100     1.100 peak   264 spectrum    1 weight  0.11000E+01 volume  0.16847E-02 ppm1      7.923 ppm2      1.661 CV     1
 ASSI {  265}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HD3 ))
      2.600     0.900     0.900 peak   265 spectrum    1 weight  0.11000E+01 volume  0.30721E-02 ppm1      7.923 ppm2      1.609 CV     1
 ASSI {  266}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HE2 ))
      3.400     1.400     1.400 peak   266 spectrum    1 weight  0.11000E+01 volume  0.72344E-03 ppm1      7.923 ppm2      3.069 CV     1
 ASSI {  269}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.200     0.600     0.600 peak   269 spectrum    1 weight  0.11000E+01 volume  0.82875E-02 ppm1      8.654 ppm2      1.752 CV     1
 ASSI {  270}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
      2.500     0.800     0.800 peak   270 spectrum    1 weight  0.11000E+01 volume  0.39749E-02 ppm1      8.654 ppm2      1.685 CV     1
 ASSI {  271}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG3 ))
      2.700     0.900     0.900 peak   271 spectrum    1 weight  0.11000E+01 volume  0.29704E-02 ppm1      8.654 ppm2      1.597 CV     1
 ASSI {  272}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HD2 ))
      3.500     1.500     1.500 peak   272 spectrum    1 weight  0.11000E+01 volume  0.58278E-03 ppm1      8.654 ppm2      3.197 CV     1
 ASSI {  276}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.400     0.700     0.700 peak   276 spectrum    1 weight  0.11000E+01 volume  0.58459E-02 ppm1      8.685 ppm2      1.223 CV     1
 ASSI {  278}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.000     1.100     1.100 peak   278 spectrum    1 weight  0.11000E+01 volume  0.14869E-02 ppm1      8.685 ppm2      0.482 CV     1
 ASSI {  279}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   279 spectrum    1 weight  0.11000E+01 volume  0.15016E-02 ppm1      8.685 ppm2      0.082 CV     1
 ASSI {  281}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   281 spectrum    1 weight  0.11000E+01 volume  0.20078E-02 ppm1      8.047 ppm2      4.565 CV     1
 ASSI {  287}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   287 spectrum    1 weight  0.11000E+01 volume  0.35071E-02 ppm1      8.525 ppm2      4.323 CV     1
 ASSI {  290}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.500     0.800     0.800 peak   290 spectrum    1 weight  0.11000E+01 volume  0.37895E-02 ppm1      7.481 ppm2      4.796 CV     1
 ASSI {  292}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.500     0.800     0.800 peak   292 spectrum    1 weight  0.11000E+01 volume  0.40313E-02 ppm1      7.481 ppm2      2.409 CV     1
 ASSI {  294}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HD2 ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.11000E+01 volume  0.24472E-02 ppm1      7.481 ppm2      1.375 CV     1
 ASSI {  295}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HE2 ))
      4.300     2.300     1.700 peak   295 spectrum    1 weight  0.11000E+01 volume  0.17038E-03 ppm1      7.481 ppm2      2.991 CV     1
 ASSI {  297}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak   297 spectrum    1 weight  0.11000E+01 volume  0.12474E-02 ppm1      9.186 ppm2      5.269 CV     1
 ASSI {  299}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      2.600     0.900     0.900 peak   299 spectrum    1 weight  0.11000E+01 volume  0.32088E-02 ppm1      9.186 ppm2      2.034 CV     1
 ASSI {  300}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.800     1.000     1.000 peak   300 spectrum    1 weight  0.11000E+01 volume  0.21434E-02 ppm1      9.186 ppm2      2.774 CV     1
 ASSI {  301}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG3 ))
      2.800     1.000     1.000 peak   301 spectrum    1 weight  0.11000E+01 volume  0.20902E-02 ppm1      9.186 ppm2      2.621 CV     1
 ASSI {  305}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.900     1.000     1.000 peak   305 spectrum    1 weight  0.11000E+01 volume  0.17739E-02 ppm1      8.795 ppm2      1.778 CV     1
 ASSI {  307}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      2.500     0.800     0.800 peak   307 spectrum    1 weight  0.11000E+01 volume  0.41749E-02 ppm1      8.795 ppm2      2.338 CV     1
 ASSI {  310}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      2.200     0.600     0.600 peak   310 spectrum    1 weight  0.11000E+01 volume  0.99924E-02 ppm1      8.877 ppm2      1.469 CV     1
 ASSI {  312}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     0.900     0.900 peak   312 spectrum    1 weight  0.11000E+01 volume  0.31591E-02 ppm1      7.803 ppm2      4.386 CV     1
 ASSI {  313}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.400     0.700     0.700 peak   313 spectrum    1 weight  0.11000E+01 volume  0.60854E-02 ppm1      7.803 ppm2      2.788 CV     1
 ASSI {  314}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.600     0.900     0.900 peak   314 spectrum    1 weight  0.11000E+01 volume  0.32042E-02 ppm1      7.803 ppm2      2.417 CV     1
 ASSI {  316}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.900     0.900 peak   316 spectrum    1 weight  0.11000E+01 volume  0.30167E-02 ppm1      7.734 ppm2      4.413 CV     1
 ASSI {  323}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak   323 spectrum    1 weight  0.11000E+01 volume  0.36506E-02 ppm1      6.700 ppm2      4.187 CV     1
 ASSI {  325}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      2.300     0.700     0.700 peak   325 spectrum    1 weight  0.11000E+01 volume  0.61215E-02 ppm1      6.700 ppm2      0.894 CV     1
 ASSI {  326}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG12))
      2.800     1.000     1.000 peak   326 spectrum    1 weight  0.11000E+01 volume  0.19818E-02 ppm1      6.700 ppm2      1.482 CV     1
 ASSI {  328}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      2.900     1.000     1.000 peak   328 spectrum    1 weight  0.11000E+01 volume  0.17897E-02 ppm1      6.700 ppm2      0.714 CV     1
 ASSI {  332}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      2.400     0.700     0.700 peak   332 spectrum    1 weight  0.11000E+01 volume  0.50539E-02 ppm1      7.977 ppm2      1.696 CV     1
 ASSI {  336}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     0.900     0.900 peak   336 spectrum    1 weight  0.11000E+01 volume  0.28247E-02 ppm1      8.524 ppm2      3.849 CV     1
 ASSI {  338}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.500     0.800     0.800 peak   338 spectrum    1 weight  0.11000E+01 volume  0.42313E-02 ppm1      8.524 ppm2      1.793 CV     1
 ASSI {  340}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD3 ))
      3.000     1.100     1.100 peak   340 spectrum    1 weight  0.11000E+01 volume  0.15174E-02 ppm1      8.524 ppm2      1.485 CV     1
 ASSI {  344}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA2 ))
      2.700     0.900     0.900 peak   344 spectrum    1 weight  0.11000E+01 volume  0.29230E-02 ppm1      9.210 ppm2      3.632 CV     1
 ASSI {  346}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.800     0.800 peak   346 spectrum    1 weight  0.11000E+01 volume  0.34563E-02 ppm1      7.721 ppm2      4.654 CV     1
 ASSI {  348}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.600     0.800     0.800 peak   348 spectrum    1 weight  0.11000E+01 volume  0.33376E-02 ppm1      7.721 ppm2      2.715 CV     1
 ASSI {  351}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak   351 spectrum    1 weight  0.11000E+01 volume  0.45963E-02 ppm1      8.284 ppm2      1.694 CV     1
 ASSI {  353}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      2.700     0.900     0.900 peak   353 spectrum    1 weight  0.11000E+01 volume  0.29523E-02 ppm1      8.284 ppm2      1.770 CV     1
 ASSI {  355}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      2.800     0.900     0.900 peak   355 spectrum    1 weight  0.11000E+01 volume  0.23671E-02 ppm1      8.284 ppm2      0.864 CV     1
 ASSI {  359}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.000     1.100     1.100 peak   359 spectrum    1 weight  0.11000E+01 volume  0.13547E-02 ppm1      9.035 ppm2      1.152 CV     1
 ASSI {  360}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      2.600     0.900     0.900 peak   360 spectrum    1 weight  0.11000E+01 volume  0.30721E-02 ppm1      9.035 ppm2      1.589 CV     1
 ASSI {  363}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.800     0.800 peak   363 spectrum    1 weight  0.11000E+01 volume  0.37285E-02 ppm1      8.918 ppm2      5.038 CV     1
 ASSI {  366}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   366 spectrum    1 weight  0.11000E+01 volume  0.52357E-02 ppm1      8.602 ppm2      5.112 CV     1
 ASSI {  367}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.500     0.800     0.800 peak   367 spectrum    1 weight  0.11000E+01 volume  0.38156E-02 ppm1      8.602 ppm2      1.897 CV     1
 ASSI {  368}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.700     0.900     0.900 peak   368 spectrum    1 weight  0.11000E+01 volume  0.26427E-02 ppm1      8.602 ppm2      1.274 CV     1
 ASSI {  373}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HB% )
      2.400     0.700     0.700 peak   373 spectrum    1 weight  0.11000E+01 volume  0.47713E-02 ppm1      8.987 ppm2      1.446 CV     1
 ASSI {  375}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.400     0.700     0.700 peak   375 spectrum    1 weight  0.11000E+01 volume  0.55115E-02 ppm1      8.353 ppm2      4.810 CV     1
 ASSI {  376}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.900     1.000     1.000 peak   376 spectrum    1 weight  0.11000E+01 volume  0.18021E-02 ppm1      8.353 ppm2      3.798 CV     1
 ASSI {  382}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      4.000     2.000     2.000 peak   382 spectrum    1 weight  0.11000E+01 volume  0.24156E-03 ppm1      8.202 ppm2      3.793 CV     1
 ASSI {  384}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.700     1.700     1.700 peak   384 spectrum    1 weight  0.11000E+01 volume  0.41715E-03 ppm1      8.216 ppm2      4.182 CV     1
 ASSI {  385}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      3.200     1.300     1.300 peak   385 spectrum    1 weight  0.11000E+01 volume  0.88061E-03 ppm1      8.216 ppm2      1.880 CV     1
 ASSI {  388}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG13))
      4.000     2.000     2.000 peak   388 spectrum    1 weight  0.11000E+01 volume  0.24484E-03 ppm1      8.216 ppm2      1.251 CV     1
 ASSI {  389}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      4.100     2.100     1.900 peak   389 spectrum    1 weight  0.11000E+01 volume  0.20529E-03 ppm1      8.216 ppm2      0.943 CV     1
 ASSI {  393}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA1 ))
      3.100     1.200     1.200 peak   393 spectrum    1 weight  0.11000E+01 volume  0.12203E-02 ppm1      7.915 ppm2      3.785 CV     1
 ASSI {  394}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.400     1.400 peak   394 spectrum    1 weight  0.11000E+01 volume  0.74344E-03 ppm1      9.035 ppm2      8.239 CV     1
 ASSI {  396}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   396 spectrum    1 weight  0.11000E+01 volume  0.22733E-02 ppm1      9.087 ppm2      8.604 CV     1
 ASSI {  398}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   398 spectrum    1 weight  0.11000E+01 volume  0.12214E-02 ppm1      9.084 ppm2      8.711 CV     1
 ASSI {  400}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak   400 spectrum    1 weight  0.11000E+01 volume  0.19152E-02 ppm1      9.308 ppm2      9.176 CV     1
 ASSI {  402}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.300     1.300 peak   402 spectrum    1 weight  0.11000E+01 volume  0.82795E-03 ppm1      7.762 ppm2      8.550 CV     1
 ASSI {  404}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak   404 spectrum    1 weight  0.11000E+01 volume  0.10898E-02 ppm1      7.762 ppm2      9.257 CV     1
 ASSI {  406}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   406 spectrum    1 weight  0.11000E+01 volume  0.27376E-02 ppm1      7.762 ppm2      7.861 CV     1
 ASSI {  409}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.700     1.700 peak   409 spectrum    1 weight  0.11000E+01 volume  0.44414E-03 ppm1      8.542 ppm2      9.269 CV     1
 ASSI {  411}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   411 spectrum    1 weight  0.11000E+01 volume  0.10681E-02 ppm1      9.261 ppm2      7.867 CV     1
 ASSI {  412}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   412 spectrum    1 weight  0.11000E+01 volume  0.54878E-03 ppm1      9.261 ppm2      8.184 CV     1
 ASSI {  414}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.800     0.800 peak   414 spectrum    1 weight  0.11000E+01 volume  0.33896E-02 ppm1      8.005 ppm2      7.774 CV     1
 ASSI {  416}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   416 spectrum    1 weight  0.11000E+01 volume  0.55555E-02 ppm1      9.022 ppm2      8.010 CV     1
 ASSI {  418}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.800     0.800 peak   418 spectrum    1 weight  0.11000E+01 volume  0.35478E-02 ppm1      7.761 ppm2      8.642 CV     1
 ASSI {  419}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak   419 spectrum    1 weight  0.11000E+01 volume  0.39726E-03 ppm1      7.761 ppm2      9.022 CV     1
 ASSI {  422}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.11000E+01 volume  0.21388E-02 ppm1      8.642 ppm2      8.481 CV     1
 ASSI {  424}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak   424 spectrum    1 weight  0.11000E+01 volume  0.38573E-03 ppm1      8.470 ppm2      7.750 CV     1
 ASSI {  426}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak   426 spectrum    1 weight  0.11000E+01 volume  0.18790E-02 ppm1      8.470 ppm2      7.911 CV     1
 ASSI {  428}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak   428 spectrum    1 weight  0.11000E+01 volume  0.17377E-02 ppm1      7.911 ppm2      7.223 CV     1
 ASSI {  431}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak   431 spectrum    1 weight  0.11000E+01 volume  0.35794E-02 ppm1      7.223 ppm2      7.795 CV     1
 ASSI {  432}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.500     1.500     1.500 peak   432 spectrum    1 weight  0.11000E+01 volume  0.59543E-03 ppm1      7.223 ppm2      8.926 CV     1
 ASSI {  434}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   434 spectrum    1 weight  0.11000E+01 volume  0.47713E-02 ppm1      7.795 ppm2      8.926 CV     1
 ASSI {  437}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak   437 spectrum    1 weight  0.11000E+01 volume  0.24438E-02 ppm1      7.688 ppm2      8.926 CV     1
 ASSI {  438}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.600     1.600 peak   438 spectrum    1 weight  0.11000E+01 volume  0.53589E-03 ppm1      7.688 ppm2      8.165 CV     1
 ASSI {  440}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.000     1.000 peak   440 spectrum    1 weight  0.11000E+01 volume  0.18891E-02 ppm1      9.172 ppm2      7.905 CV     1
 ASSI {  442}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak   442 spectrum    1 weight  0.11000E+01 volume  0.58967E-02 ppm1      7.902 ppm2      7.291 CV     1
 ASSI {  444}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.600     1.600     1.600 peak   444 spectrum    1 weight  0.11000E+01 volume  0.50064E-03 ppm1      7.284 ppm2      8.635 CV     1
 ASSI {  446}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.900     1.000     1.000 peak   446 spectrum    1 weight  0.11000E+01 volume  0.19173E-02 ppm1      8.839 ppm2      7.923 CV     1
 ASSI {  448}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     1.600     1.600 peak   448 spectrum    1 weight  0.11000E+01 volume  0.46403E-03 ppm1     10.237 ppm2      8.835 CV     1
 ASSI {  450}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.200     1.300     1.300 peak   450 spectrum    1 weight  0.11000E+01 volume  0.96784E-03 ppm1      8.837 ppm2      7.923 CV     1
 ASSI {  451}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak   451 spectrum    1 weight  0.11000E+01 volume  0.37613E-03 ppm1      8.685 ppm2      8.047 CV     1
 ASSI {  454}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.300     1.400     1.400 peak   454 spectrum    1 weight  0.11000E+01 volume  0.74254E-03 ppm1      7.923 ppm2      8.655 CV     1
 ASSI {  455}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.500     1.500     1.500 peak   455 spectrum    1 weight  0.11000E+01 volume  0.59724E-03 ppm1      7.481 ppm2      9.201 CV     1
 ASSI {  458}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak   458 spectrum    1 weight  0.11000E+01 volume  0.27162E-02 ppm1      7.803 ppm2      8.878 CV     1
 ASSI {  460}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak   460 spectrum    1 weight  0.11000E+01 volume  0.71260E-03 ppm1      7.803 ppm2      9.182 CV     1
 ASSI {  461}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak   461 spectrum    1 weight  0.11000E+01 volume  0.14722E-02 ppm1      6.700 ppm2      7.778 CV     1
 ASSI {  462}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.100     1.200     1.200 peak   462 spectrum    1 weight  0.11000E+01 volume  0.11762E-02 ppm1      6.700 ppm2      7.737 CV     1
 ASSI {  465}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak   465 spectrum    1 weight  0.11000E+01 volume  0.43387E-03 ppm1      8.524 ppm2      9.210 CV     1
 ASSI {  468}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   468 spectrum    1 weight  0.11000E+01 volume  0.36404E-02 ppm1      7.721 ppm2      9.210 CV     1
 ASSI {  469}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak   469 spectrum    1 weight  0.11000E+01 volume  0.99360E-03 ppm1      7.721 ppm2      8.284 CV     1
 ASSI {  472}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.300     1.300     1.300 peak   472 spectrum    1 weight  0.11000E+01 volume  0.87293E-03 ppm1      8.602 ppm2      8.928 CV     1
 ASSI {  473}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.600     1.600     1.600 peak   473 spectrum    1 weight  0.11000E+01 volume  0.48075E-03 ppm1      8.711 ppm2      8.239 CV     1
 ASSI {  476}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.700     1.700 peak   476 spectrum    1 weight  0.11000E+01 volume  0.44031E-03 ppm1      8.239 ppm2      9.308 CV     1
 ASSI {  477}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   477 spectrum    1 weight  0.11000E+01 volume  0.31489E-03 ppm1      9.164 ppm2      8.736 CV     1
 ASSI {  478}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   478 spectrum    1 weight  0.11000E+01 volume  0.12146E-02 ppm1      8.556 ppm2      7.989 CV     1
 ASSI {  480}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.800     1.800     1.800 peak   480 spectrum    1 weight  0.11000E+01 volume  0.36980E-03 ppm1      7.873 ppm2      9.195 CV     1
 ASSI {  482}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak   482 spectrum    1 weight  0.11000E+01 volume  0.48200E-03 ppm1      9.084 ppm2      8.210 CV     1
 ASSI {  484}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak   484 spectrum    1 weight  0.11000E+01 volume  0.35432E-02 ppm1      7.966 ppm2      9.022 CV     1
 ASSI {  486}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   486 spectrum    1 weight  0.11000E+01 volume  0.21716E-02 ppm1      8.918 ppm2      9.104 CV     1
 ASSI {  488}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.100     1.200     1.200 peak   488 spectrum    1 weight  0.11000E+01 volume  0.10898E-02 ppm1      8.635 ppm2      8.987 CV     1
 ASSI {  490}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak   490 spectrum    1 weight  0.11000E+01 volume  0.90886E-03 ppm1      8.685 ppm2      8.892 CV     1
 ASSI {  493}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak   493 spectrum    1 weight  0.11000E+01 volume  0.71079E-03 ppm1      8.602 ppm2      9.164 CV     1
 ASSI {  495}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.100     1.200     1.200 peak   495 spectrum    1 weight  0.11000E+01 volume  0.10976E-02 ppm1      9.164 ppm2      9.033 CV     1
 ASSI {  496}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   496 spectrum    1 weight  0.11000E+01 volume  0.84829E-02 ppm1      9.164 ppm2      5.038 CV     1
 ASSI {  497}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   497 spectrum    1 weight  0.11000E+01 volume  0.16813E-02 ppm1      8.239 ppm2      5.038 CV     1
 ASSI {  498}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.500     1.500 peak   498 spectrum    1 weight  0.11000E+01 volume  0.64628E-03 ppm1      8.733 ppm2      5.355 CV     1
 ASSI {  499}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     1.400     1.400 peak   499 spectrum    1 weight  0.11000E+01 volume  0.78152E-03 ppm1      9.308 ppm2      4.457 CV     1
 ASSI {  500}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.11000E+01 volume  0.25275E-02 ppm1      8.597 ppm2      5.250 CV     1
 ASSI {  501}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak   501 spectrum    1 weight  0.11000E+01 volume  0.10050E-01 ppm1      9.087 ppm2      4.160 CV     1
 ASSI {  503}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.600     0.600 peak   503 spectrum    1 weight  0.11000E+01 volume  0.79180E-02 ppm1      9.308 ppm2      5.352 CV     1
 ASSI {  505}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.700     0.700 peak   505 spectrum    1 weight  0.11000E+01 volume  0.69938E-02 ppm1      8.628 ppm2      4.545 CV     1
 ASSI {  508}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA2 ))
      3.600     1.600     1.600 peak   508 spectrum    1 weight  0.11000E+01 volume  0.46527E-03 ppm1      8.195 ppm2      3.943 CV     1
 ASSI {  509}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak   509 spectrum    1 weight  0.11000E+01 volume  0.33330E-02 ppm1      8.556 ppm2      4.557 CV     1
 ASSI {  510}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.100     0.500     0.500 peak   510 spectrum    1 weight  0.11000E+01 volume  0.13265E-01 ppm1      7.873 ppm2      4.184 CV     1
 ASSI {  511}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.600     0.600 peak   511 spectrum    1 weight  0.11000E+01 volume  0.78875E-02 ppm1      9.192 ppm2      5.364 CV     1
 ASSI {  514}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak   514 spectrum    1 weight  0.11000E+01 volume  0.93970E-02 ppm1      9.084 ppm2      4.437 CV     1
 ASSI {  515}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.200     0.600     0.600 peak   515 spectrum    1 weight  0.11000E+01 volume  0.96873E-02 ppm1      8.210 ppm2      4.606 CV     1
 ASSI {  518}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   518 spectrum    1 weight  0.11000E+01 volume  0.13377E-02 ppm1      7.966 ppm2      4.076 CV     1
 ASSI {  520}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.500     1.500 peak   520 spectrum    1 weight  0.11000E+01 volume  0.65905E-03 ppm1      8.642 ppm2      4.238 CV     1
 ASSI {  524}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      3.000     1.100     1.100 peak   524 spectrum    1 weight  0.11000E+01 volume  0.13886E-02 ppm1      7.689 ppm2      4.244 CV     1
 ASSI {  525}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA2 ))
      3.100     1.200     1.200 peak   525 spectrum    1 weight  0.11000E+01 volume  0.11660E-02 ppm1      7.688 ppm2      3.799 CV     1
 ASSI {  526}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.300     0.600     0.600 peak   526 spectrum    1 weight  0.11000E+01 volume  0.74458E-02 ppm1      8.163 ppm2      4.039 CV     1
 ASSI {  527}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak   527 spectrum    1 weight  0.11000E+01 volume  0.92377E-02 ppm1      8.635 ppm2      4.003 CV     1
 ASSI {  528}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.200     0.600     0.600 peak   528 spectrum    1 weight  0.11000E+01 volume  0.93394E-02 ppm1      8.892 ppm2      4.112 CV     1
 ASSI {  529}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.200     0.600     0.600 peak   529 spectrum    1 weight  0.11000E+01 volume  0.95563E-02 ppm1      9.104 ppm2      5.280 CV     1
 ASSI {  530}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.200     0.600     0.600 peak   530 spectrum    1 weight  0.11000E+01 volume  0.96727E-02 ppm1      8.839 ppm2      5.148 CV     1
 ASSI {  531}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   531 spectrum    1 weight  0.11000E+01 volume  0.14542E-02 ppm1     10.237 ppm2      4.931 CV     1
 ASSI {  532}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.100     1.100 peak   532 spectrum    1 weight  0.11000E+01 volume  0.17355E-02 ppm1      8.837 ppm2      4.473 CV     1
 ASSI {  533}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   533 spectrum    1 weight  0.11000E+01 volume  0.13694E-02 ppm1      7.284 ppm2      4.389 CV     1
 ASSI {  535}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   535 spectrum    1 weight  0.11000E+01 volume  0.92953E-02 ppm1      8.047 ppm2      3.883 CV     1
 ASSI {  536}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   536 spectrum    1 weight  0.11000E+01 volume  0.57227E-02 ppm1      8.525 ppm2      4.533 CV     1
 ASSI {  537}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300     0.700     0.700 peak   537 spectrum    1 weight  0.11000E+01 volume  0.61295E-02 ppm1      9.186 ppm2      4.774 CV     1
 ASSI {  538}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak   538 spectrum    1 weight  0.11000E+01 volume  0.45465E-02 ppm1      8.795 ppm2      5.268 CV     1
 ASSI {  539}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   539 spectrum    1 weight  0.11000E+01 volume  0.11841E-02 ppm1      8.877 ppm2      4.762 CV     1
 ASSI {  541}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak   541 spectrum    1 weight  0.11000E+01 volume  0.61181E-03 ppm1      7.778 ppm2      4.413 CV     1
 ASSI {  544}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA2 ))
      3.000     1.100     1.100 peak   544 spectrum    1 weight  0.11000E+01 volume  0.13965E-02 ppm1      6.700 ppm2      3.883 CV     1
 ASSI {  545}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   545 spectrum    1 weight  0.11000E+01 volume  0.81644E-02 ppm1      8.524 ppm2      4.497 CV     1
 ASSI {  546}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.200     0.600     0.600 peak   546 spectrum    1 weight  0.11000E+01 volume  0.87394E-02 ppm1      9.210 ppm2      3.847 CV     1
 ASSI {  548}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak   548 spectrum    1 weight  0.11000E+01 volume  0.83903E-02 ppm1      8.284 ppm2      4.654 CV     1
 ASSI {  549}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.200     0.600     0.600 peak   549 spectrum    1 weight  0.11000E+01 volume  0.94693E-02 ppm1      8.602 ppm2      5.039 CV     1
 ASSI {  550}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.200     0.600     0.600 peak   550 spectrum    1 weight  0.11000E+01 volume  0.80310E-02 ppm1      8.987 ppm2      5.112 CV     1
 ASSI {  552}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.300     0.600     0.600 peak   552 spectrum    1 weight  0.11000E+01 volume  0.78875E-02 ppm1      8.434 ppm2      4.810 CV     1
 ASSI {  553}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA1 ))
      2.800     1.000     1.000 peak   553 spectrum    1 weight  0.11000E+01 volume  0.22947E-02 ppm1      7.915 ppm2      3.955 CV     1
 ASSI {  554}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.100     1.200     1.200 peak   554 spectrum    1 weight  0.11000E+01 volume  0.11343E-02 ppm1      8.216 ppm2      4.424 CV     1
 ASSI {  555}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.300     1.300 peak   555 spectrum    1 weight  0.11000E+01 volume  0.10166E-02 ppm1      7.915 ppm2      8.448 CV     1
 ASSI {  556}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.200     1.300     1.300 peak   556 spectrum    1 weight  0.11000E+01 volume  0.95767E-03 ppm1      7.223 ppm2      3.302 CV     1
 ASSI {  557}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.200     1.300     1.300 peak   557 spectrum    1 weight  0.11000E+01 volume  0.10064E-02 ppm1      8.239 ppm2      1.677 CV     1
 ASSI {  558}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak   558 spectrum    1 weight  0.11000E+01 volume  0.33635E-02 ppm1      8.239 ppm2      1.421 CV     1
 ASSI {  560}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak   560 spectrum    1 weight  0.11000E+01 volume  0.71170E-03 ppm1      9.308 ppm2      2.759 CV     1
 ASSI {  561}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.100     1.200     1.200 peak   561 spectrum    1 weight  0.11000E+01 volume  0.12451E-02 ppm1      9.308 ppm2      2.558 CV     1
 ASSI {  562}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      3.400     1.400     1.400 peak   562 spectrum    1 weight  0.11000E+01 volume  0.70808E-03 ppm1      9.164 ppm2      1.281 CV     1
 ASSI {  563}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak   563 spectrum    1 weight  0.11000E+01 volume  0.26981E-02 ppm1      8.628 ppm2      2.326 CV     1
 ASSI {  566}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.500     1.500     1.500 peak   566 spectrum    1 weight  0.11000E+01 volume  0.57001E-03 ppm1      8.556 ppm2      2.569 CV     1
 ASSI {  567}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak   567 spectrum    1 weight  0.11000E+01 volume  0.94987E-03 ppm1      7.989 ppm2      4.535 CV     1
 ASSI {  568}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.400     1.400     1.400 peak   568 spectrum    1 weight  0.11000E+01 volume  0.68718E-03 ppm1      7.989 ppm2      1.953 CV     1
 ASSI {  573}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.300     1.300     1.300 peak   573 spectrum    1 weight  0.11000E+01 volume  0.83304E-03 ppm1      9.084 ppm2      1.729 CV     1
 ASSI {  575}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.800     1.000     1.000 peak   575 spectrum    1 weight  0.11000E+01 volume  0.21230E-02 ppm1      8.210 ppm2      1.339 CV     1
 ASSI {  576}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.800     1.000     1.000 peak   576 spectrum    1 weight  0.11000E+01 volume  0.21716E-02 ppm1      8.604 ppm2      1.703 CV     1
 ASSI {  577}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.500     1.500     1.500 peak   577 spectrum    1 weight  0.11000E+01 volume  0.60639E-03 ppm1      8.604 ppm2      2.135 CV     1
 ASSI {  578}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.200     0.600     0.600 peak   578 spectrum    1 weight  0.11000E+01 volume  0.85553E-02 ppm1      8.542 ppm2      4.342 CV     1
 ASSI {  580}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      2.600     0.900     0.900 peak   580 spectrum    1 weight  0.11000E+01 volume  0.32144E-02 ppm1      8.542 ppm2      0.866 CV     1
 ASSI {  582}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.800     1.000     1.000 peak   582 spectrum    1 weight  0.11000E+01 volume  0.21750E-02 ppm1      9.261 ppm2      1.678 CV     1
 ASSI {  583}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.400     1.500     1.500 peak   583 spectrum    1 weight  0.11000E+01 volume  0.63543E-03 ppm1      9.261 ppm2      1.462 CV     1
 ASSI {  584}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.900     1.100     1.100 peak   584 spectrum    1 weight  0.11000E+01 volume  0.15999E-02 ppm1      7.858 ppm2      1.970 CV     1
 ASSI {  585}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.400     1.400     1.400 peak   585 spectrum    1 weight  0.11000E+01 volume  0.67803E-03 ppm1      7.858 ppm2      1.843 CV     1
 ASSI {  586}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      3.100     1.200     1.200 peak   586 spectrum    1 weight  0.11000E+01 volume  0.12157E-02 ppm1      7.858 ppm2      1.665 CV     1
 ASSI {  587}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak   587 spectrum    1 weight  0.11000E+01 volume  0.17309E-02 ppm1      7.762 ppm2      4.418 CV     1
 ASSI {  588}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.300     1.400     1.400 peak   588 spectrum    1 weight  0.11000E+01 volume  0.76706E-03 ppm1      7.762 ppm2      4.177 CV     1
 ASSI {  589}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.500     0.800     0.800 peak   589 spectrum    1 weight  0.11000E+01 volume  0.40257E-02 ppm1      7.762 ppm2      3.797 CV     1
 ASSI {  593}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.000     2.000     2.000 peak   593 spectrum    1 weight  0.11000E+01 volume  0.27015E-03 ppm1      7.858 ppm2      1.450 CV     1
 ASSI {  594}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.700     0.900     0.900 peak   594 spectrum    1 weight  0.11000E+01 volume  0.28133E-02 ppm1      7.762 ppm2      1.678 CV     1
 ASSI {  595}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.000     1.100     1.100 peak   595 spectrum    1 weight  0.11000E+01 volume  0.13728E-02 ppm1      9.261 ppm2      3.911 CV     1
 ASSI {  596}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.500     1.500     1.500 peak   596 spectrum    1 weight  0.11000E+01 volume  0.59181E-03 ppm1      8.528 ppm2      3.543 CV     1
 ASSI {  597}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.11000E+01 volume  0.11183E-02 ppm1      8.179 ppm2      4.596 CV     1
 ASSI {  598}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      2.500     0.800     0.800 peak   598 spectrum    1 weight  0.11000E+01 volume  0.45601E-02 ppm1      8.179 ppm2      1.488 CV     1
 ASSI {  599}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      3.300     1.300     1.300 peak   599 spectrum    1 weight  0.11000E+01 volume  0.84208E-03 ppm1      8.528 ppm2      1.044 CV     1
 ASSI {  600}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.900     1.100     1.100 peak   600 spectrum    1 weight  0.11000E+01 volume  0.16428E-02 ppm1      8.528 ppm2      0.739 CV     1
 ASSI {  601}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      2.600     0.900     0.900 peak   601 spectrum    1 weight  0.11000E+01 volume  0.32709E-02 ppm1      9.022 ppm2      2.198 CV     1
 ASSI {  602}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      3.100     1.200     1.200 peak   602 spectrum    1 weight  0.11000E+01 volume  0.10937E-02 ppm1      9.022 ppm2      1.107 CV     1
 ASSI {  603}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      2.700     0.900     0.900 peak   603 spectrum    1 weight  0.11000E+01 volume  0.28427E-02 ppm1      9.022 ppm2      0.752 CV     1
 ASSI {  605}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.000     1.000 peak   605 spectrum    1 weight  0.11000E+01 volume  0.18123E-02 ppm1      8.005 ppm2      4.069 CV     1
 ASSI {  606}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak   606 spectrum    1 weight  0.11000E+01 volume  0.18101E-02 ppm1      8.005 ppm2      1.882 CV     1
 ASSI {  607}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak   607 spectrum    1 weight  0.11000E+01 volume  0.58278E-03 ppm1      8.005 ppm2      3.851 CV     1
 ASSI {  608}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HB% )
      2.500     0.800     0.800 peak   608 spectrum    1 weight  0.11000E+01 volume  0.44573E-02 ppm1      7.761 ppm2      1.568 CV     1
 ASSI {  609}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   609 spectrum    1 weight  0.11000E+01 volume  0.21512E-02 ppm1      7.761 ppm2      3.851 CV     1
 ASSI {  610}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   610 spectrum    1 weight  0.11000E+01 volume  0.11513E-02 ppm1      8.642 ppm2      4.371 CV     1
 ASSI {  611}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.800     1.000     1.000 peak   611 spectrum    1 weight  0.11000E+01 volume  0.23309E-02 ppm1      8.642 ppm2      2.486 CV     1
 ASSI {  612}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.000     1.100     1.100 peak   612 spectrum    1 weight  0.11000E+01 volume  0.13457E-02 ppm1      8.642 ppm2      2.099 CV     1
 ASSI {  613}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
      3.600     1.600     1.600 peak   613 spectrum    1 weight  0.11000E+01 volume  0.49035E-03 ppm1      8.642 ppm2      2.643 CV     1
 ASSI {  616}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      2.800     1.000     1.000 peak   616 spectrum    1 weight  0.11000E+01 volume  0.20620E-02 ppm1      8.470 ppm2      0.722 CV     1
 ASSI {  617}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak   617 spectrum    1 weight  0.11000E+01 volume  0.14779E-02 ppm1      8.470 ppm2      4.298 CV     1
 ASSI {  618}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.000     1.000 peak   618 spectrum    1 weight  0.11000E+01 volume  0.18711E-02 ppm1      7.911 ppm2      2.353 CV     1
 ASSI {  619}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      3.300     1.400     1.400 peak   619 spectrum    1 weight  0.11000E+01 volume  0.78886E-03 ppm1      7.911 ppm2      1.942 CV     1
 ASSI {  620}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.100     1.200     1.200 peak   620 spectrum    1 weight  0.11000E+01 volume  0.11129E-02 ppm1      7.911 ppm2      1.834 CV     1
 ASSI {  623}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.200     1.300     1.300 peak   623 spectrum    1 weight  0.11000E+01 volume  0.94602E-03 ppm1      7.795 ppm2      1.292 CV     1
 ASSI {  624}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HD3 ))
      3.700     1.800     1.800 peak   624 spectrum    1 weight  0.11000E+01 volume  0.37116E-03 ppm1      7.795 ppm2      1.091 CV     1
 ASSI {  625}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak   625 spectrum    1 weight  0.11000E+01 volume  0.11637E-02 ppm1      8.926 ppm2      3.924 CV     1
 ASSI {  626}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.400     1.400     1.400 peak   626 spectrum    1 weight  0.11000E+01 volume  0.70073E-03 ppm1      8.926 ppm2      0.855 CV     1
 ASSI {  628}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      3.800     1.800     1.800 peak   628 spectrum    1 weight  0.11000E+01 volume  0.32122E-03 ppm1      8.926 ppm2      1.326 CV     1
 ASSI {  630}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA2 ))
      3.500     1.500     1.500 peak   630 spectrum    1 weight  0.11000E+01 volume  0.56278E-03 ppm1      7.795 ppm2      3.803 CV     1
 ASSI {  632}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.900     1.900     1.900 peak   632 spectrum    1 weight  0.11000E+01 volume  0.30043E-03 ppm1      7.688 ppm2      4.528 CV     1
 ASSI {  633}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.300     1.300     1.300 peak   633 spectrum    1 weight  0.11000E+01 volume  0.82151E-03 ppm1      9.172 ppm2      3.961 CV     1
 ASSI {  634}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HD3 ))
      3.300     1.400     1.400 peak   634 spectrum    1 weight  0.11000E+01 volume  0.75791E-03 ppm1      9.172 ppm2      3.679 CV     1
 ASSI {  635}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG3 ))
      3.700     1.700     1.700 peak   635 spectrum    1 weight  0.11000E+01 volume  0.40438E-03 ppm1      9.172 ppm2      1.610 CV     1
 ASSI {  636}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.400     0.700     0.700 peak   636 spectrum    1 weight  0.11000E+01 volume  0.58459E-02 ppm1      9.172 ppm2      1.998 CV     1
 ASSI {  638}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.100     1.100 peak   638 spectrum    1 weight  0.11000E+01 volume  0.17309E-02 ppm1      9.087 ppm2      1.916 CV     1
 ASSI {  639}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.200     0.600     0.600 peak   639 spectrum    1 weight  0.11000E+01 volume  0.83394E-02 ppm1      8.711 ppm2      4.808 CV     1
 ASSI {  642}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
      2.900     2.900     3.100 peak   642 spectrum    1 weight  0.11000E+01 volume  0.18101E-02 ppm1      8.711 ppm2      2.351 CV     1
 ASSI {  643}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG3 ))
      3.200     1.300     1.300 peak   643 spectrum    1 weight  0.11000E+01 volume  0.99744E-03 ppm1      7.902 ppm2      2.292 CV     1
 ASSI {  644}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      3.100     1.200     1.200 peak   644 spectrum    1 weight  0.11000E+01 volume  0.12711E-02 ppm1      7.902 ppm2      2.045 CV     1
 ASSI {  645}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.400     1.400     1.400 peak   645 spectrum    1 weight  0.11000E+01 volume  0.72435E-03 ppm1      7.902 ppm2      2.527 CV     1
 ASSI {  646}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.600     3.600     2.400 peak   646 spectrum    1 weight  0.11000E+01 volume  0.45951E-03 ppm1      7.902 ppm2      1.881 CV     1
 ASSI {  647}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.100     1.200     1.200 peak   647 spectrum    1 weight  0.11000E+01 volume  0.12214E-02 ppm1      7.284 ppm2      4.220 CV     1
 ASSI {  649}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.700     1.700     1.700 peak   649 spectrum    1 weight  0.11000E+01 volume  0.38664E-03 ppm1      8.635 ppm2      2.516 CV     1
 ASSI {  650}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.100     1.200     1.200 peak   650 spectrum    1 weight  0.11000E+01 volume  0.12055E-02 ppm1      8.635 ppm2      1.951 CV     1
 ASSI {  651}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      3.300     1.400     1.400 peak   651 spectrum    1 weight  0.11000E+01 volume  0.81259E-03 ppm1      9.172 ppm2      0.929 CV     1
 ASSI {  652}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.100     1.200     1.200 peak   652 spectrum    1 weight  0.11000E+01 volume  0.11366E-02 ppm1      9.172 ppm2      1.105 CV     1
 ASSI {  653}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      3.200     1.300     1.300 peak   653 spectrum    1 weight  0.11000E+01 volume  0.92942E-03 ppm1      7.902 ppm2      0.929 CV     1
 ASSI {  657}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.300     1.400     1.400 peak   657 spectrum    1 weight  0.11000E+01 volume  0.77610E-03 ppm1      9.104 ppm2      1.728 CV     1
 ASSI {  658}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      2.500     0.800     0.800 peak   658 spectrum    1 weight  0.11000E+01 volume  0.47205E-02 ppm1      9.104 ppm2      0.741 CV     1
 ASSI {  659}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      2.700     0.900     0.900 peak   659 spectrum    1 weight  0.11000E+01 volume  0.24145E-02 ppm1      8.839 ppm2      3.820 CV     1
 ASSI {  661}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.300     2.300     3.700 peak   661 spectrum    1 weight  0.11000E+01 volume  0.78774E-02 ppm1      8.685 ppm2      4.643 CV     1
 ASSI {  662}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HD2 ))
      3.500     1.600     1.600 peak   662 spectrum    1 weight  0.11000E+01 volume  0.53205E-03 ppm1      8.685 ppm2      3.186 CV     1
 ASSI {  663}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.600     2.600     3.400 peak   663 spectrum    1 weight  0.11000E+01 volume  0.33534E-02 ppm1      8.685 ppm2      1.752 CV     1
 ASSI {  664}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.100     1.200     1.200 peak   664 spectrum    1 weight  0.11000E+01 volume  0.10809E-02 ppm1      8.047 ppm2      1.411 CV     1
 ASSI {  666}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.800     1.800     1.800 peak   666 spectrum    1 weight  0.11000E+01 volume  0.32438E-03 ppm1      8.047 ppm2      0.482 CV     1
 ASSI {  668}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.100     1.200     1.200 peak   668 spectrum    1 weight  0.11000E+01 volume  0.10885E-02 ppm1      8.525 ppm2      2.166 CV     1
 ASSI {  669}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.900     1.100     1.100 peak   669 spectrum    1 weight  0.11000E+01 volume  0.15648E-02 ppm1      8.525 ppm2      1.902 CV     1
 ASSI {  672}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HE2 ))
      3.900     1.900     1.900 peak   672 spectrum    1 weight  0.11000E+01 volume  0.29489E-03 ppm1      9.186 ppm2      2.962 CV     1
 ASSI {  673}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.900     1.000     1.000 peak   673 spectrum    1 weight  0.11000E+01 volume  0.17580E-02 ppm1      9.186 ppm2      1.681 CV     1
 ASSI {  674}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HD2 ))
      3.200     1.300     1.300 peak   674 spectrum    1 weight  0.11000E+01 volume  0.98072E-03 ppm1      9.186 ppm2      1.387 CV     1
 ASSI {  675}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.400     0.700     0.700 peak   675 spectrum    1 weight  0.11000E+01 volume  0.54177E-02 ppm1      8.795 ppm2      2.269 CV     1
 ASSI {  676}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.000     1.100     1.100 peak   676 spectrum    1 weight  0.11000E+01 volume  0.13309E-02 ppm1      8.795 ppm2      2.034 CV     1
 ASSI {  678}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG3 ))
      3.700     1.700     1.700 peak   678 spectrum    1 weight  0.11000E+01 volume  0.37703E-03 ppm1      8.795 ppm2      2.621 CV     1
 ASSI {  679}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight  0.11000E+01 volume  0.90242E-03 ppm1      8.877 ppm2      1.775 CV     1
 ASSI {  680}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.000     1.100     1.100 peak   680 spectrum    1 weight  0.11000E+01 volume  0.15208E-02 ppm1      8.877 ppm2      2.415 CV     1
 ASSI {  682}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      2.500     0.800     0.800 peak   682 spectrum    1 weight  0.11000E+01 volume  0.40054E-02 ppm1      7.803 ppm2      1.469 CV     1
 ASSI {  683}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   683 spectrum    1 weight  0.11000E+01 volume  0.11366E-02 ppm1      7.734 ppm2      4.196 CV     1
 ASSI {  684}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.900     1.900     1.900 peak   684 spectrum    1 weight  0.11000E+01 volume  0.30224E-03 ppm1      7.778 ppm2      4.196 CV     1
 ASSI {  688}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak   688 spectrum    1 weight  0.11000E+01 volume  0.14281E-02 ppm1      9.210 ppm2      1.870 CV     1
 ASSI {  689}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA2 ))
      3.000     1.200     1.200 peak   689 spectrum    1 weight  0.11000E+01 volume  0.13050E-02 ppm1      7.721 ppm2      3.632 CV     1
 ASSI {  690}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   690 spectrum    1 weight  0.11000E+01 volume  0.15163E-02 ppm1      7.721 ppm2      3.856 CV     1
 ASSI {  692}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.600     2.600     3.400 peak   692 spectrum    1 weight  0.11000E+01 volume  0.30641E-02 ppm1      8.284 ppm2      2.715 CV     1
 ASSI {  693}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      2.800     1.000     1.000 peak   693 spectrum    1 weight  0.11000E+01 volume  0.22405E-02 ppm1      9.035 ppm2      0.870 CV     1
 ASSI {  696}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.100     1.200     1.200 peak   696 spectrum    1 weight  0.11000E+01 volume  0.12620E-02 ppm1      8.918 ppm2      1.129 CV     1
 ASSI {  701}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.500     1.500     1.500 peak   701 spectrum    1 weight  0.11000E+01 volume  0.59363E-03 ppm1      8.987 ppm2      1.900 CV     1
 ASSI {  702}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.200     3.200     2.800 peak   702 spectrum    1 weight  0.11000E+01 volume  0.96534E-03 ppm1      8.987 ppm2      1.248 CV     1
 ASSI {  703}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HB% )
      2.700     0.900     0.900 peak   703 spectrum    1 weight  0.11000E+01 volume  0.26721E-02 ppm1      8.353 ppm2      1.446 CV     1
 ASSI {  704}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak   704 spectrum    1 weight  0.11000E+01 volume  0.13818E-02 ppm1      8.434 ppm2      3.789 CV     1
 ASSI {  705}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.500     1.600     1.600 peak   705 spectrum    1 weight  0.11000E+01 volume  0.52561E-03 ppm1      8.216 ppm2      3.793 CV     1
 ASSI {  706}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.300     1.300 peak   706 spectrum    1 weight  0.11000E+01 volume  0.86909E-03 ppm1      9.210 ppm2      4.599 CV     1
 ASSI {  707}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      2.900     1.100     1.100 peak   707 spectrum    1 weight  0.11000E+01 volume  0.16711E-02 ppm1      7.721 ppm2      1.679 CV     1
 ASSI {  708}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.400     1.400 peak   708 spectrum    1 weight  0.11000E+01 volume  0.70255E-03 ppm1      7.721 ppm2      1.446 CV     1
 ASSI {  709}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      2.500     0.800     0.800 peak   709 spectrum    1 weight  0.11000E+01 volume  0.41545E-02 ppm1      7.721 ppm2      0.747 CV     1
 ASSI {  710}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HD% )
      2.500     0.800     0.800 peak   710 spectrum    1 weight  0.11000E+01 volume  0.42878E-02 ppm1      7.734 ppm2      7.249 CV     1
 ASSI {  711}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HE% )
      3.100     1.200     1.200 peak   711 spectrum    1 weight  0.11000E+01 volume  0.11343E-02 ppm1      7.734 ppm2      6.706 CV     1
 ASSI {  713}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 68   and name HE% )
      3.100     1.200     1.200 peak   713 spectrum    1 weight  0.11000E+01 volume  0.11366E-02 ppm1      8.047 ppm2      6.731 CV     1
 ASSI {  714}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HD% )
      3.500     1.500     1.500 peak   714 spectrum    1 weight  0.11000E+01 volume  0.55522E-03 ppm1      8.434 ppm2      7.089 CV     1
 ASSI {  715}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      3.100     1.200     1.200 peak   715 spectrum    1 weight  0.11000E+01 volume  0.11852E-02 ppm1      8.239 ppm2      6.970 CV     1
 ASSI {  716}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      3.700     1.700     1.700 peak   716 spectrum    1 weight  0.11000E+01 volume  0.43126E-03 ppm1      9.308 ppm2      6.970 CV     1
 ASSI {  717}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak   717 spectrum    1 weight  0.11000E+01 volume  0.30789E-02 ppm1      8.604 ppm2      4.810 CV     1
 ASSI {  718}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   718 spectrum    1 weight  0.11000E+01 volume  0.12055E-02 ppm1      9.084 ppm2      5.358 CV     1
 ASSI {  719}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.400     1.500     1.500 peak   719 spectrum    1 weight  0.11000E+01 volume  0.65814E-03 ppm1      9.192 ppm2      4.529 CV     1
 ASSI {  720}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   720 spectrum    1 weight  0.11000E+01 volume  0.45442E-03 ppm1      8.795 ppm2      7.776 CV     1
 ASSI {  722}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.000     1.000 peak   722 spectrum    1 weight  0.11000E+01 volume  0.19072E-02 ppm1      8.795 ppm2      5.147 CV     1
 ASSI {  725}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.900     1.900     1.900 peak   725 spectrum    1 weight  0.11000E+01 volume  0.30133E-03 ppm1      9.172 ppm2      7.284 CV     1
 ASSI {  727}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.700     3.700     2.300 peak   727 spectrum    1 weight  0.11000E+01 volume  0.37161E-03 ppm1      8.434 ppm2      4.036 CV     1
 ASSI {  728}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.900     1.900     1.900 peak   728 spectrum    1 weight  0.11000E+01 volume  0.28315E-03 ppm1      8.434 ppm2      4.402 CV     1
 ASSI {  730}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.400     1.500     1.500 peak   730 spectrum    1 weight  0.11000E+01 volume  0.64447E-03 ppm1      8.839 ppm2      0.479 CV     1
 ASSI {  731}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.400     1.500     1.500 peak   731 spectrum    1 weight  0.11000E+01 volume  0.64628E-03 ppm1      8.839 ppm2      0.074 CV     1
 ASSI {  733}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak   733 spectrum    1 weight  0.11000E+01 volume  0.13231E-02 ppm1      8.685 ppm2      8.838 CV     1
 ASSI {  735}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.200     1.300     1.300 peak   735 spectrum    1 weight  0.11000E+01 volume  0.93191E-03 ppm1      9.104 ppm2      8.828 CV     1
 ASSI {  736}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.200     1.200     1.200 peak   736 spectrum    1 weight  0.11000E+01 volume  0.10525E-02 ppm1      9.104 ppm2      2.970 CV     1
 ASSI {  737}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.400     1.500     1.500 peak   737 spectrum    1 weight  0.11000E+01 volume  0.61452E-03 ppm1      7.721 ppm2      7.971 CV     1
 ASSI {  740}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 11   and name HE% )
      3.900     1.900     1.900 peak   740 spectrum    1 weight  0.11000E+01 volume  0.29942E-03 ppm1      9.210 ppm2      7.321 CV     1
 ASSI {  741}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD% )
      2.900     1.100     1.100 peak   741 spectrum    1 weight  0.11000E+01 volume  0.16021E-02 ppm1      8.918 ppm2      7.229 CV     1
 ASSI {  742}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD% )
      3.600     1.600     1.600 peak   742 spectrum    1 weight  0.11000E+01 volume  0.45635E-03 ppm1      8.602 ppm2      7.213 CV     1
 ASSI {  744}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.800     1.800 peak   744 spectrum    1 weight  0.11000E+01 volume  0.37296E-03 ppm1      8.556 ppm2      8.181 CV     1
 ASSI {  745}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 68   and name HE% )
      3.600     1.700     1.700 peak   745 spectrum    1 weight  0.11000E+01 volume  0.43770E-03 ppm1      7.481 ppm2      6.737 CV     1
 ASSI {  746}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak   746 spectrum    1 weight  0.11000E+01 volume  0.48776E-03 ppm1      7.481 ppm2      8.596 CV     1
 ASSI {  749}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.800     1.800 peak   749 spectrum    1 weight  0.11000E+01 volume  0.37478E-03 ppm1      8.604 ppm2      8.210 CV     1
 ASSI {  750}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.700     1.700     1.700 peak   750 spectrum    1 weight  0.11000E+01 volume  0.41262E-03 ppm1      8.284 ppm2      9.042 CV     1
 ASSI {  751}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      2.900     1.000     1.000 peak   751 spectrum    1 weight  0.11000E+01 volume  0.17434E-02 ppm1      9.192 ppm2      6.704 CV     1
 ASSI {  752}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.300     1.400     1.400 peak   752 spectrum    1 weight  0.11000E+01 volume  0.73621E-03 ppm1      6.700 ppm2      7.982 CV     1
 ASSI {  754}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HD% )
      3.000     1.100     1.100 peak   754 spectrum    1 weight  0.11000E+01 volume  0.13254E-02 ppm1      7.803 ppm2      7.244 CV     1
 ASSI {  755}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HE% )
      3.500     1.500     1.500 peak   755 spectrum    1 weight  0.11000E+01 volume  0.58459E-03 ppm1      7.803 ppm2      6.721 CV     1
 ASSI {  756}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 68   and name HD% )
      4.000     2.000     2.000 peak   756 spectrum    1 weight  0.11000E+01 volume  0.25546E-03 ppm1      8.877 ppm2      7.244 CV     1
 ASSI {  757}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 68   and name HE% )
      4.200     2.200     1.800 peak   757 spectrum    1 weight  0.11000E+01 volume  0.19739E-03 ppm1      8.685 ppm2      6.721 CV     1
 ASSI {  758}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 68   and name HD% )
      4.000     2.000     2.000 peak   758 spectrum    1 weight  0.11000E+01 volume  0.25444E-03 ppm1      7.923 ppm2      7.244 CV     1
 ASSI {  759}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 68   and name HD% )
      4.100     4.100     1.900 peak   759 spectrum    1 weight  0.11000E+01 volume  0.23072E-03 ppm1      9.186 ppm2      7.275 CV     1
 ASSI {  760}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   760 spectrum    1 weight  0.11000E+01 volume  0.32946E-03 ppm1      8.892 ppm2      9.104 CV     1
 ASSI {  762}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   762 spectrum    1 weight  0.11000E+01 volume  0.48132E-03 ppm1      7.923 ppm2      5.148 CV     1
 ASSI {  763}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.300     1.300     1.300 peak   763 spectrum    1 weight  0.11000E+01 volume  0.85112E-03 ppm1      7.923 ppm2      3.823 CV     1
 ASSI {  764}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 79   and name HB% )
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.11000E+01 volume  0.28721E-02 ppm1      8.635 ppm2      1.427 CV     1
 ASSI {  765}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.000     2.000     2.000 peak   765 spectrum    1 weight  0.11000E+01 volume  0.26438E-03 ppm1      8.353 ppm2      9.001 CV     1
 ASSI {  767}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HG1%)
      2.800     1.000     1.000 peak   767 spectrum    1 weight  0.11000E+01 volume  0.21794E-02 ppm1      8.733 ppm2      0.917 CV     1
 ASSI {  769}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.000     1.200     1.200 peak   769 spectrum    1 weight  0.11000E+01 volume  0.12982E-02 ppm1      8.685 ppm2      0.964 CV     1
 ASSI {  770}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.200     1.300     1.300 peak   770 spectrum    1 weight  0.11000E+01 volume  0.96534E-03 ppm1      8.047 ppm2      0.718 CV     1
 ASSI {  771}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      2.900     1.000     1.000 peak   771 spectrum    1 weight  0.11000E+01 volume  0.18688E-02 ppm1      8.047 ppm2      1.042 CV     1
 ASSI {  772}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      2.900     1.000     1.000 peak   772 spectrum    1 weight  0.11000E+01 volume  0.18868E-02 ppm1      7.481 ppm2      1.060 CV     1
 ASSI {  773}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.400     1.400     1.400 peak   773 spectrum    1 weight  0.11000E+01 volume  0.70717E-03 ppm1      7.481 ppm2      0.718 CV     1
 ASSI {  774}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      3.300     1.400     1.400 peak   774 spectrum    1 weight  0.11000E+01 volume  0.77519E-03 ppm1      9.186 ppm2      1.042 CV     1
 ASSI {  775}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      3.300     1.400     1.400 peak   775 spectrum    1 weight  0.11000E+01 volume  0.78706E-03 ppm1      8.795 ppm2      1.060 CV     1
 ASSI {  776}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.600     1.600     1.600 peak   776 spectrum    1 weight  0.11000E+01 volume  0.48324E-03 ppm1      8.795 ppm2      0.718 CV     1
 ASSI {  778}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 51   and name HG12))
      4.000     2.000     2.000 peak   778 spectrum    1 weight  0.11000E+01 volume  0.23739E-03 ppm1      8.434 ppm2      0.864 CV     1
 ASSI {  779}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      3.700     3.700     2.300 peak   779 spectrum    1 weight  0.11000E+01 volume  0.41647E-03 ppm1      8.434 ppm2      0.669 CV     1
 ASSI {  780}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 23   and name HD2%)
      2.900     1.100     1.100 peak   780 spectrum    1 weight  0.11000E+01 volume  0.17355E-02 ppm1      8.711 ppm2      0.546 CV     1
 ASSI {  781}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HD2%)
      2.600     0.900     0.900 peak   781 spectrum    1 weight  0.11000E+01 volume  0.32042E-02 ppm1      9.084 ppm2      0.546 CV     1
 ASSI {  784}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HG12))
      3.600     1.600     1.600 peak   784 spectrum    1 weight  0.11000E+01 volume  0.51092E-03 ppm1      7.734 ppm2      1.482 CV     1
 ASSI {  785}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.700     1.700     1.700 peak   785 spectrum    1 weight  0.11000E+01 volume  0.42743E-03 ppm1      7.734 ppm2      0.894 CV     1
 ASSI {  786}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.500     1.500     1.500 peak   786 spectrum    1 weight  0.11000E+01 volume  0.56549E-03 ppm1      7.734 ppm2      0.739 CV     1
 ASSI {  788}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.600     1.600     1.600 peak   788 spectrum    1 weight  0.11000E+01 volume  0.46279E-03 ppm1      6.700 ppm2      2.724 CV     1
 ASSI {  792}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.000     1.100     1.100 peak   792 spectrum    1 weight  0.11000E+01 volume  0.13830E-02 ppm1      9.210 ppm2      0.750 CV     1
 ASSI {  793}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.400     1.500     1.500 peak   793 spectrum    1 weight  0.11000E+01 volume  0.62086E-03 ppm1      9.210 ppm2      1.672 CV     1
 ASSI {  796}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      2.700     0.900     0.900 peak   796 spectrum    1 weight  0.11000E+01 volume  0.28461E-02 ppm1      7.977 ppm2      0.722 CV     1
 ASSI {  797}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      3.600     1.700     1.700 peak   797 spectrum    1 weight  0.11000E+01 volume  0.44347E-03 ppm1      8.602 ppm2      0.600 CV     1
 ASSI {  800}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      4.000     4.000     2.000 peak   800 spectrum    1 weight  0.11000E+01 volume  0.26472E-03 ppm1      8.628 ppm2      1.295 CV     1
 ASSI {  801}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak   801 spectrum    1 weight  0.11000E+01 volume  0.40754E-03 ppm1      7.959 ppm2      8.570 CV     1
 ASSI {  802}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   802 spectrum    1 weight  0.11000E+01 volume  0.38347E-03 ppm1      7.959 ppm2      4.561 CV     1
 ASSI {  803}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.200     1.300     1.300 peak   803 spectrum    1 weight  0.11000E+01 volume  0.10180E-02 ppm1      7.959 ppm2      2.326 CV     1
 ASSI {  804}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     2.900     3.100 peak   804 spectrum    1 weight  0.11000E+01 volume  0.16711E-02 ppm1      7.959 ppm2      2.105 CV     1
 ASSI {  805}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.800     1.800     1.800 peak   805 spectrum    1 weight  0.11000E+01 volume  0.32574E-03 ppm1      7.959 ppm2      1.951 CV     1
 ASSI {  807}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.600     1.600     1.600 peak   807 spectrum    1 weight  0.11000E+01 volume  0.45375E-03 ppm1      9.192 ppm2      0.893 CV     1
 ASSI {  808}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.400     1.400     1.400 peak   808 spectrum    1 weight  0.11000E+01 volume  0.67441E-03 ppm1      9.192 ppm2      0.791 CV     1
 ASSI {  811}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG3 ))
      3.200     3.200     2.800 peak   811 spectrum    1 weight  0.11000E+01 volume  0.93710E-03 ppm1      7.873 ppm2      1.247 CV     1
 ASSI {  813}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.500     1.500 peak   813 spectrum    1 weight  0.11000E+01 volume  0.57092E-03 ppm1      7.959 ppm2      8.740 CV     1
 ASSI {  814}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.900     3.900     2.100 peak   814 spectrum    1 weight  0.11000E+01 volume  0.27998E-03 ppm1      8.284 ppm2      2.514 CV     1
 ASSI {  817}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 74   and name HD21))
      2.300     0.700     0.700 peak   817 spectrum    1 weight  0.11000E+01 volume  0.62888E-02 ppm1      7.131 ppm2      7.546 CV     1
 ASSI {  822}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 55   and name HB2 ))
      2.600     0.900     0.900 peak   822 spectrum    1 weight  0.11000E+01 volume  0.32607E-02 ppm1      6.941 ppm2      3.078 CV     1
 ASSI {  823}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak   823 spectrum    1 weight  0.11000E+01 volume  0.52719E-02 ppm1      7.685 ppm2      3.078 CV     1
 ASSI {  830}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HE22))
      2.200     2.200     3.800 peak   830 spectrum    1 weight  0.11000E+01 volume  0.82977E-02 ppm1      7.585 ppm2      6.942 CV     1
 ASSI {  831}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HG2 ))
      2.900     2.900     3.100 peak   831 spectrum    1 weight  0.11000E+01 volume  0.18485E-02 ppm1      7.585 ppm2      2.519 CV     1
 ASSI {  832}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HB3 ))
      4.000     4.000     2.000 peak   832 spectrum    1 weight  0.11000E+01 volume  0.26506E-03 ppm1      7.585 ppm2      2.069 CV     1
 ASSI {  834}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 25   and name HE21))
      1.800     0.400     0.400 peak   834 spectrum    1 weight  0.11000E+01 volume  0.29003E-01 ppm1      6.507 ppm2      7.256 CV     1
 ASSI {  835}
   (( segid "    " and resid 25   and name HE21))
   (( segid "    " and resid 25   and name HB3 ))
      3.500     3.500     2.500 peak   835 spectrum    1 weight  0.11000E+01 volume  0.55194E-03 ppm1      7.234 ppm2      1.739 CV     1
 ASSI {  836}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 25   and name HB3 ))
      3.600     1.600     1.600 peak   836 spectrum    1 weight  0.11000E+01 volume  0.46980E-03 ppm1      6.507 ppm2      1.709 CV     1
 ASSI {  837}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 55   and name HD22))
      2.000     0.500     0.500 peak   837 spectrum    1 weight  0.11000E+01 volume  0.17603E-01 ppm1      7.685 ppm2      6.942 CV     1
 ASSI {  841}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 50   and name HE21))
      3.300     1.300     1.300 peak   841 spectrum    1 weight  0.11000E+01 volume  0.86909E-03 ppm1      8.470 ppm2      6.941 CV     1
 ASSI {  842}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 50   and name HE22))
      2.900     1.100     1.100 peak   842 spectrum    1 weight  0.11000E+01 volume  0.16326E-02 ppm1      8.470 ppm2      6.748 CV     1
 ASSI {  847}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 39   and name HB  ))
      3.000     1.200     1.200 peak   847 spectrum    1 weight  0.11000E+01 volume  0.12813E-02 ppm1      6.764 ppm2      2.232 CV     1
 ASSI {  848}
   (( segid "    " and resid 50   and name HE22))
   (  segid "    " and resid 39   and name HG2%)
      3.000     1.100     1.100 peak   848 spectrum    1 weight  0.11000E+01 volume  0.13614E-02 ppm1      6.764 ppm2      0.717 CV     1
 ASSI {  849}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HD21))
      3.200     1.300     1.300 peak   849 spectrum    1 weight  0.11000E+01 volume  0.90886E-03 ppm1      8.284 ppm2      7.541 CV     1
 ASSI {  851}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak   851 spectrum    1 weight  0.11000E+01 volume  0.32811E-03 ppm1      7.131 ppm2      8.292 CV     1
 ASSI {  853}
   (( segid "    " and resid 74   and name HD21))
   (( segid "    " and resid 74   and name HA  ))
      3.100     3.100     2.900 peak   853 spectrum    1 weight  0.11000E+01 volume  0.12021E-02 ppm1      7.536 ppm2      4.655 CV     1
 ASSI {  854}
   (( segid "    " and resid 74   and name HD21))
   (( segid "    " and resid 75   and name HB2 ))
      3.500     1.600     1.600 peak   854 spectrum    1 weight  0.11000E+01 volume  0.52821E-03 ppm1      7.536 ppm2      1.695 CV     1
 ASSI {  855}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   855 spectrum    1 weight  0.11000E+01 volume  0.13525E-02 ppm1      7.131 ppm2      4.655 CV     1
 ASSI {  856}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 75   and name HB2 ))
      2.800     2.800     3.200 peak   856 spectrum    1 weight  0.11000E+01 volume  0.19591E-02 ppm1      7.131 ppm2      1.695 CV     1
 ASSI {  857}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 75   and name HB3 ))
      4.000     4.000     2.000 peak   857 spectrum    1 weight  0.11000E+01 volume  0.24349E-03 ppm1      7.131 ppm2      0.885 CV     1
 ASSI {  858}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 55   and name HA  ))
      3.800     1.800     1.800 peak   858 spectrum    1 weight  0.11000E+01 volume  0.35534E-03 ppm1      7.685 ppm2      4.452 CV     1
 ASSI {  859}
   (( segid "    " and resid 25   and name HE21))
   (( segid "    " and resid 25   and name HG2 ))
      3.000     3.000     3.000 peak   859 spectrum    1 weight  0.11000E+01 volume  0.14326E-02 ppm1      7.234 ppm2      2.122 CV     1
 ASSI {  860}
   (( segid "    " and resid 25   and name HE21))
   (( segid "    " and resid 26   and name HB  ))
      3.800     1.800     1.800 peak   860 spectrum    1 weight  0.11000E+01 volume  0.34709E-03 ppm1      7.234 ppm2      1.934 CV     1
 ASSI {  861}
   (( segid "    " and resid 25   and name HE21))
   (  segid "    " and resid 26   and name HG2%)
      3.100     1.200     1.200 peak   861 spectrum    1 weight  0.11000E+01 volume  0.10654E-02 ppm1      7.234 ppm2      0.774 CV     1
 ASSI {  862}
   (( segid "    " and resid 25   and name HE22))
   (  segid "    " and resid 26   and name HG2%)
      3.500     1.500     1.500 peak   862 spectrum    1 weight  0.11000E+01 volume  0.56098E-03 ppm1      6.507 ppm2      0.757 CV     1
 ASSI {  863}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 26   and name HB  ))
      3.900     3.900     2.100 peak   863 spectrum    1 weight  0.11000E+01 volume  0.27365E-03 ppm1      6.507 ppm2      1.951 CV     1
 ASSI {  864}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 25   and name HG2 ))
      3.500     3.500     2.500 peak   864 spectrum    1 weight  0.11000E+01 volume  0.52369E-03 ppm1      6.507 ppm2      2.139 CV     1
 ASSI {  865}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      3.800     3.800     2.200 peak   865 spectrum    1 weight  0.11000E+01 volume  0.31760E-03 ppm1      9.261 ppm2      0.843 CV     1
 ASSI {  866}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 8    and name HD1%)
      3.300     1.300     1.300 peak   866 spectrum    1 weight  0.11000E+01 volume  0.86129E-03 ppm1      9.261 ppm2      0.687 CV     1
 ASSI {  867}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.000     2.000     2.000 peak   867 spectrum    1 weight  0.11000E+01 volume  0.25218E-03 ppm1      9.192 ppm2      8.911 CV     1
 ASSI {  869}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.700     0.900     0.900 peak   869 spectrum    1 weight  0.11000E+01 volume  0.27851E-02 ppm1      9.261 ppm2      2.531 CV     1
 ASSI {  870}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.200     3.200     2.800 peak   870 spectrum    1 weight  0.11000E+01 volume  0.10243E-02 ppm1      9.261 ppm2      2.053 CV     1
 ASSI {  871}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      3.600     1.600     1.600 peak   871 spectrum    1 weight  0.11000E+01 volume  0.45635E-03 ppm1      8.179 ppm2      1.115 CV     1
 ASSI {  872}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.700     3.700     2.300 peak   872 spectrum    1 weight  0.11000E+01 volume  0.40946E-03 ppm1      8.179 ppm2      0.740 CV     1
 ASSI {  874}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak   874 spectrum    1 weight  0.11000E+01 volume  0.18609E-02 ppm1      8.528 ppm2      8.195 CV     1
 ASSI {  875}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.11000E+01 volume  0.34212E-03 ppm1      8.179 ppm2      9.030 CV     1
 ASSI {  877}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak   877 spectrum    1 weight  0.11000E+01 volume  0.30133E-02 ppm1      7.966 ppm2      8.195 CV     1
 ASSI {  879}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   879 spectrum    1 weight  0.11000E+01 volume  0.32766E-03 ppm1      8.597 ppm2      8.177 CV     1
 ASSI {  880}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HE22))
      3.700     1.700     1.700 peak   880 spectrum    1 weight  0.11000E+01 volume  0.39918E-03 ppm1      8.642 ppm2      6.779 CV     1
 ASSI {  881}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.100     2.100     1.900 peak   881 spectrum    1 weight  0.11000E+01 volume  0.21784E-03 ppm1      7.223 ppm2      8.485 CV     1
 ASSI {  883}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     3.400     2.600 peak   883 spectrum    1 weight  0.11000E+01 volume  0.68266E-03 ppm1      7.795 ppm2      7.666 CV     1
 ASSI {  885}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.700     1.700     1.700 peak   885 spectrum    1 weight  0.11000E+01 volume  0.37703E-03 ppm1      8.163 ppm2      7.905 CV     1
 ASSI {  887}
   (( segid "    " and resid 50   and name HE21))
   (  segid "    " and resid 39   and name HG2%)
      3.200     1.200     1.200 peak   887 spectrum    1 weight  0.11000E+01 volume  0.10321E-02 ppm1      6.937 ppm2      0.706 CV     1
 ASSI {  888}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 39   and name HB  ))
      3.400     1.500     1.500 peak   888 spectrum    1 weight  0.11000E+01 volume  0.64266E-03 ppm1      6.937 ppm2      2.241 CV     1
 ASSI {  890}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HE22))
      2.400     0.700     0.700 peak   890 spectrum    1 weight  0.11000E+01 volume  0.48222E-02 ppm1      6.937 ppm2      6.779 CV     1
 ASSI {  892}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
      3.100     1.200     1.200 peak   892 spectrum    1 weight  0.11000E+01 volume  0.12349E-02 ppm1      6.937 ppm2      2.531 CV     1
 ASSI {  893}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
      3.400     1.500     1.500 peak   893 spectrum    1 weight  0.11000E+01 volume  0.64357E-03 ppm1      6.764 ppm2      2.531 CV     1
 ASSI {  894}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG3 ))
      3.200     1.300     1.300 peak   894 spectrum    1 weight  0.11000E+01 volume  0.10282E-02 ppm1      6.937 ppm2      1.712 CV     1
 ASSI {  895}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG3 ))
      3.800     1.800     1.800 peak   895 spectrum    1 weight  0.11000E+01 volume  0.34935E-03 ppm1      6.764 ppm2      1.712 CV     1
 ASSI {  896}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 45   and name HB  ))
      3.300     1.300     1.300 peak   896 spectrum    1 weight  0.11000E+01 volume  0.81767E-03 ppm1      6.937 ppm2      1.576 CV     1
 ASSI {  897}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 45   and name HB  ))
      3.200     1.300     1.300 peak   897 spectrum    1 weight  0.11000E+01 volume  0.89981E-03 ppm1      6.764 ppm2      1.559 CV     1
 ASSI {  899}
   (( segid "    " and resid 50   and name HE22))
   (  segid "    " and resid 78   and name HD1%)
      3.500     1.500     1.500 peak   899 spectrum    1 weight  0.11000E+01 volume  0.55194E-03 ppm1      6.764 ppm2      0.876 CV     1
 ASSI {  900}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      2.800     1.000     1.000 peak   900 spectrum    1 weight  0.11000E+01 volume  0.20281E-02 ppm1      7.284 ppm2      0.859 CV     1
 ASSI {  901}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.200     1.300     1.300 peak   901 spectrum    1 weight  0.11000E+01 volume  0.94602E-03 ppm1      7.223 ppm2      0.859 CV     1
 ASSI {  902}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak   902 spectrum    1 weight  0.11000E+01 volume  0.78242E-03 ppm1      7.902 ppm2      3.998 CV     1
 ASSI {  903}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.200     1.300     1.300 peak   903 spectrum    1 weight  0.11000E+01 volume  0.98839E-03 ppm1      7.795 ppm2      0.723 CV     1
 ASSI {  904}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HE% )
      3.100     1.200     1.200 peak   904 spectrum    1 weight  0.11000E+01 volume  0.10872E-02 ppm1      7.761 ppm2      2.241 CV     1
 ASSI {  907}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak   907 spectrum    1 weight  0.11000E+01 volume  0.41850E-03 ppm1      8.521 ppm2      9.082 CV     1
 ASSI {  908}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.300     1.300     1.300 peak   908 spectrum    1 weight  0.11000E+01 volume  0.85112E-03 ppm1      8.264 ppm2      8.536 CV     1
 ASSI {  909}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak   909 spectrum    1 weight  0.11000E+01 volume  0.43194E-03 ppm1      9.087 ppm2      4.322 CV     1
 ASSI {  910}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.300     1.400     1.400 peak   910 spectrum    1 weight  0.11000E+01 volume  0.76254E-03 ppm1      9.087 ppm2      1.456 CV     1
 ASSI {  911}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      4.700     2.700     1.300 peak   911 spectrum    1 weight  0.11000E+01 volume  0.10067E-03 ppm1      8.202 ppm2      2.992 CV     1
 ASSI {  912}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      4.100     2.100     1.900 peak   912 spectrum    1 weight  0.11000E+01 volume  0.21139E-03 ppm1      8.353 ppm2      0.701 CV     1
 ASSI {  913}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 51   and name HG12))
      3.900     1.900     1.900 peak   913 spectrum    1 weight  0.11000E+01 volume  0.28088E-03 ppm1      8.353 ppm2      0.884 CV     1
 ASSI {  915}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 74   and name HD21))
      3.700     1.700     1.700 peak   915 spectrum    1 weight  0.11000E+01 volume  0.38618E-03 ppm1      7.685 ppm2      7.546 CV     1
 ASSI {  917}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 74   and name HD22))
      3.500     1.500     1.500 peak   917 spectrum    1 weight  0.11000E+01 volume  0.55069E-03 ppm1      6.941 ppm2      7.120 CV     1
 ASSI {  918}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 74   and name HD21))
      3.600     3.600     2.400 peak   918 spectrum    1 weight  0.11000E+01 volume  0.43770E-03 ppm1      6.941 ppm2      7.529 CV     1
 ASSI {  919}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 55   and name HD21))
      3.500     3.500     2.500 peak   919 spectrum    1 weight  0.11000E+01 volume  0.53973E-03 ppm1      7.131 ppm2      7.734 CV     1
 ASSI {  920}
   (( segid "    " and resid 55   and name HD22))
   (  segid "    " and resid 70   and name HG2%)
      3.100     1.200     1.200 peak   920 spectrum    1 weight  0.11000E+01 volume  0.12237E-02 ppm1      6.941 ppm2      0.910 CV     1
 ASSI {  921}
   (( segid "    " and resid 55   and name HD22))
   (  segid "    " and resid 54   and name HD2%)
      3.300     1.400     1.400 peak   921 spectrum    1 weight  0.11000E+01 volume  0.77519E-03 ppm1      6.941 ppm2      0.723 CV     1
 ASSI {  922}
   (( segid "    " and resid 55   and name HD21))
   (  segid "    " and resid 70   and name HG2%)
      3.300     1.400     1.400 peak   922 spectrum    1 weight  0.11000E+01 volume  0.74344E-03 ppm1      7.685 ppm2      0.910 CV     1
 ASSI {  923}
   (( segid "    " and resid 55   and name HD21))
   (  segid "    " and resid 54   and name HD2%)
      3.400     1.400     1.400 peak   923 spectrum    1 weight  0.11000E+01 volume  0.67803E-03 ppm1      7.685 ppm2      0.723 CV     1
 ASSI {  925}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.200     1.200 peak   925 spectrum    1 weight  0.11000E+01 volume  0.12892E-02 ppm1      9.308 ppm2      2.906 CV     1
 ASSI {  929}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      2.800     2.800     3.200 peak   929 spectrum    1 weight  0.11000E+01 volume  0.22868E-02 ppm1      8.239 ppm2      0.777 CV     1
 ASSI {  931}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HE% )
      3.400     1.500     1.500 peak   931 spectrum    1 weight  0.11000E+01 volume  0.61543E-03 ppm1      9.186 ppm2      2.115 CV     1
 ASSI {  932}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HE% )
      3.000     3.000     3.000 peak   932 spectrum    1 weight  0.11000E+01 volume  0.15614E-02 ppm1      8.795 ppm2      1.820 CV     1
 ASSI {  933}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      3.600     1.600     1.600 peak   933 spectrum    1 weight  0.11000E+01 volume  0.46403E-03 ppm1      8.795 ppm2      1.473 CV     1
 ASSI {  934}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.100     1.200     1.200 peak   934 spectrum    1 weight  0.11000E+01 volume  0.11434E-02 ppm1      8.877 ppm2      2.036 CV     1
 ASSI {  936}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HG3 ))
      3.900     1.900     1.900 peak   936 spectrum    1 weight  0.11000E+01 volume  0.27309E-03 ppm1      8.877 ppm2      2.604 CV     1
 ASSI {  937}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HG3 ))
      3.300     3.300     2.700 peak   937 spectrum    1 weight  0.11000E+01 volume  0.74073E-03 ppm1      7.803 ppm2      2.619 CV     1
 ASSI {  938}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.000     1.100     1.100 peak   938 spectrum    1 weight  0.11000E+01 volume  0.15016E-02 ppm1      7.803 ppm2      2.020 CV     1
 ASSI {  939}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   939 spectrum    1 weight  0.11000E+01 volume  0.11167E-02 ppm1      7.803 ppm2      4.766 CV     1
 ASSI {  940}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   940 spectrum    1 weight  0.11000E+01 volume  0.14326E-02 ppm1      7.734 ppm2      4.783 CV     1
 ASSI {  942}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.400     2.400     3.600 peak   942 spectrum    1 weight  0.11000E+01 volume  0.49815E-02 ppm1      7.778 ppm2      4.800 CV     1
 ASSI {  943}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.800     1.800     1.800 peak   943 spectrum    1 weight  0.11000E+01 volume  0.36302E-03 ppm1      7.778 ppm2      2.719 CV     1
 ASSI {  944}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.300     1.400     1.400 peak   944 spectrum    1 weight  0.11000E+01 volume  0.76977E-03 ppm1      7.734 ppm2      2.395 CV     1
 ASSI {  945}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.900     1.900     1.900 peak   945 spectrum    1 weight  0.11000E+01 volume  0.30224E-03 ppm1      8.795 ppm2      9.184 CV     1
 ASSI {  947}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak   947 spectrum    1 weight  0.11000E+01 volume  0.98331E-03 ppm1      8.795 ppm2      8.604 CV     1
 ASSI {  951}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     3.400     2.600 peak   951 spectrum    1 weight  0.11000E+01 volume  0.63814E-03 ppm1      7.989 ppm2      8.212 CV     1
 ASSI {  952}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.800     1.800 peak   952 spectrum    1 weight  0.11000E+01 volume  0.37071E-03 ppm1      7.959 ppm2      8.212 CV     1
 ASSI {  953}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   953 spectrum    1 weight  0.11000E+01 volume  0.62357E-03 ppm1      9.261 ppm2      4.169 CV     1
 ASSI {  954}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   954 spectrum    1 weight  0.11000E+01 volume  0.13999E-02 ppm1      8.542 ppm2      4.152 CV     1
 ASSI {  956}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.000     1.200     1.200 peak   956 spectrum    1 weight  0.11000E+01 volume  0.13016E-02 ppm1      7.989 ppm2      1.681 CV     1
 ASSI {  957}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HE1 ))
      3.900     3.900     2.100 peak   957 spectrum    1 weight  0.11000E+01 volume  0.28450E-03 ppm1      7.873 ppm2      7.678 CV     1
 ASSI {  958}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HE1 ))
      4.000     4.000     2.000 peak   958 spectrum    1 weight  0.11000E+01 volume  0.24349E-03 ppm1      7.959 ppm2      7.726 CV     1
 ASSI {  959}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.800     1.800     1.800 peak   959 spectrum    1 weight  0.11000E+01 volume  0.34076E-03 ppm1      8.894 ppm2      1.985 CV     1
 ASSI {  960}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   960 spectrum    1 weight  0.11000E+01 volume  0.57453E-03 ppm1      9.084 ppm2      8.907 CV     1
 ASSI {  962}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG  ))
      3.000     1.100     1.100 peak   962 spectrum    1 weight  0.11000E+01 volume  0.14281E-02 ppm1      9.084 ppm2      1.213 CV     1
 ASSI {  964}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      2.800     1.000     1.000 peak   964 spectrum    1 weight  0.11000E+01 volume  0.21591E-02 ppm1      8.210 ppm2      0.725 CV     1
 ASSI {  965}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      3.100     1.200     1.200 peak   965 spectrum    1 weight  0.11000E+01 volume  0.12089E-02 ppm1      8.987 ppm2      1.749 CV     1
 ASSI {  966}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      4.000     2.000     2.000 peak   966 spectrum    1 weight  0.11000E+01 volume  0.27048E-03 ppm1      7.977 ppm2      6.946 CV     1
 ASSI {  968}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HD21))
      3.900     3.900     2.100 peak   968 spectrum    1 weight  0.11000E+01 volume  0.27760E-03 ppm1      7.977 ppm2      7.513 CV     1
 ASSI {  969}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak   969 spectrum    1 weight  0.11000E+01 volume  0.26247E-03 ppm1      7.131 ppm2      7.962 CV     1
 ASSI {  970}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 71   and name HN  ))
      3.800     3.800     2.200 peak   970 spectrum    1 weight  0.11000E+01 volume  0.33037E-03 ppm1      7.685 ppm2      7.938 CV     1
 ASSI {  972}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     3.600     2.400 peak   972 spectrum    1 weight  0.11000E+01 volume  0.47624E-03 ppm1      7.966 ppm2      8.576 CV     1
 ASSI {  973}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 71   and name HD2 ))
      3.800     3.800     2.200 peak   973 spectrum    1 weight  0.11000E+01 volume  0.33398E-03 ppm1      7.131 ppm2      3.261 CV     1
 ASSI {  974}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 71   and name HB2 ))
      3.700     1.700     1.700 peak   974 spectrum    1 weight  0.11000E+01 volume  0.39986E-03 ppm1      7.131 ppm2      1.962 CV     1
 ASSI {  975}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HG13))
      3.700     1.700     1.700 peak   975 spectrum    1 weight  0.11000E+01 volume  0.40042E-03 ppm1      8.524 ppm2      0.993 CV     1
 ASSI {  978}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.300     1.300 peak   978 spectrum    1 weight  0.11000E+01 volume  0.83564E-03 ppm1      6.937 ppm2      1.873 CV     1
 ASSI {  979}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.200     1.300     1.300 peak   979 spectrum    1 weight  0.11000E+01 volume  0.10180E-02 ppm1      8.892 ppm2      1.430 CV     1
 ASSI {  980}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.800     1.800     1.800 peak   980 spectrum    1 weight  0.11000E+01 volume  0.35432E-03 ppm1      8.892 ppm2      1.237 CV     1
 ASSI {  981}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      3.000     1.100     1.100 peak   981 spectrum    1 weight  0.11000E+01 volume  0.14372E-02 ppm1      8.685 ppm2      0.719 CV     1
 ASSI {  982}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA2 ))
      3.200     1.300     1.300 peak   982 spectrum    1 weight  0.11000E+01 volume  0.99100E-03 ppm1      7.481 ppm2      3.790 CV     1
 ASSI {  985}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.600     1.600     1.600 peak   985 spectrum    1 weight  0.11000E+01 volume  0.50120E-03 ppm1      7.481 ppm2      4.599 CV     1
 ASSI {  987}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.600     1.600     1.600 peak   987 spectrum    1 weight  0.11000E+01 volume  0.47296E-03 ppm1      7.481 ppm2      1.881 CV     1
 ASSI {  988}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
      3.200     1.300     1.300 peak   988 spectrum    1 weight  0.11000E+01 volume  0.88061E-03 ppm1      8.047 ppm2      1.687 CV     1
 ASSI {  989}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   989 spectrum    1 weight  0.11000E+01 volume  0.25252E-03 ppm1      8.047 ppm2      8.505 CV     1
 ASSI {  992}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     1.800     1.800 peak   992 spectrum    1 weight  0.11000E+01 volume  0.32347E-03 ppm1      8.877 ppm2      0.899 CV     1
 ASSI {  993}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.700     1.700     1.700 peak   993 spectrum    1 weight  0.11000E+01 volume  0.41454E-03 ppm1      8.877 ppm2      5.260 CV     1
 ASSI {  997}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.700     1.700     1.700 peak   997 spectrum    1 weight  0.11000E+01 volume  0.37613E-03 ppm1      8.877 ppm2      0.725 CV     1
 ASSI {  998}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.700     3.700     2.300 peak   998 spectrum    1 weight  0.11000E+01 volume  0.38754E-03 ppm1      8.795 ppm2      3.846 CV     1
 ASSI { 1000}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.000     2.000     2.000 peak  1000 spectrum    1 weight  0.11000E+01 volume  0.24190E-03 ppm1      6.700 ppm2      4.406 CV     1
 ASSI { 1002}
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 54   and name HG  ))
      3.300     3.300     2.700 peak  1002 spectrum    1 weight  0.11000E+01 volume  0.83439E-03 ppm1      7.685 ppm2      1.551 CV     1
 ASSI { 1003}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.300     3.300     2.700 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.79587E-03 ppm1      9.210 ppm2      1.462 CV     1
 ASSI { 1004}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.700     1.800     1.800 peak  1004 spectrum    1 weight  0.11000E+01 volume  0.37387E-03 ppm1      9.210 ppm2      0.989 CV     1
 ASSI { 1006}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HG13))
      3.600     1.600     1.600 peak  1006 spectrum    1 weight  0.11000E+01 volume  0.47815E-03 ppm1      7.721 ppm2      0.983 CV     1
 ASSI { 1007}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD21))
      3.300     1.300     1.300 peak  1007 spectrum    1 weight  0.11000E+01 volume  0.82672E-03 ppm1      7.721 ppm2      7.543 CV     1
 ASSI { 1008}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD22))
      3.500     3.500     2.500 peak  1008 spectrum    1 weight  0.11000E+01 volume  0.56369E-03 ppm1      7.721 ppm2      7.142 CV     1
 ASSI { 1009}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.900     1.900     1.900 peak  1009 spectrum    1 weight  0.11000E+01 volume  0.29489E-03 ppm1      7.721 ppm2      8.530 CV     1
 ASSI { 1011}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 74   and name HB2 ))
      3.900     3.900     2.100 peak  1011 spectrum    1 weight  0.11000E+01 volume  0.28315E-03 ppm1      7.131 ppm2      2.854 CV     1
 ASSI { 1012}
   (( segid "    " and resid 74   and name HD22))
   (( segid "    " and resid 74   and name HB3 ))
      4.000     2.000     2.000 peak  1012 spectrum    1 weight  0.11000E+01 volume  0.26179E-03 ppm1      7.131 ppm2      2.718 CV     1
 ASSI { 1016}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 79   and name HB% )
      3.800     1.800     1.800 peak  1016 spectrum    1 weight  0.11000E+01 volume  0.35940E-03 ppm1      8.434 ppm2      1.419 CV     1
 ASSI { 1018}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak  1018 spectrum    1 weight  0.11000E+01 volume  0.95246E-03 ppm1      8.987 ppm2      5.293 CV     1
 ASSI { 1019}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.300     1.400     1.400 peak  1019 spectrum    1 weight  0.11000E+01 volume  0.79327E-03 ppm1     10.237 ppm2      0.888 CV     1
 ASSI { 1020}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      4.100     2.100     1.900 peak  1020 spectrum    1 weight  0.11000E+01 volume  0.21625E-03 ppm1     10.237 ppm2      0.710 CV     1
 ASSI { 1021}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.900     3.900     2.100 peak  1021 spectrum    1 weight  0.11000E+01 volume  0.28359E-03 ppm1      9.105 ppm2      1.438 CV     1
 ASSI { 1022}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.800     3.800     2.200 peak  1022 spectrum    1 weight  0.11000E+01 volume  0.34122E-03 ppm1      9.104 ppm2      1.193 CV     1
 ASSI { 1023}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     3.600     2.400 peak  1023 spectrum    1 weight  0.11000E+01 volume  0.47296E-03 ppm1      9.104 ppm2      4.961 CV     1
 ASSI { 1024}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak  1024 spectrum    1 weight  0.11000E+01 volume  0.11604E-02 ppm1      8.839 ppm2      4.607 CV     1
 ASSI { 1028}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.200     3.200     2.800 peak  1028 spectrum    1 weight  0.11000E+01 volume  0.91778E-03 ppm1      8.635 ppm2      5.074 CV     1
 ASSI { 1029}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.600     1.700     1.700 peak  1029 spectrum    1 weight  0.11000E+01 volume  0.44347E-03 ppm1      8.635 ppm2      3.802 CV     1
 ASSI { 1032}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.800     1.800     1.800 peak  1032 spectrum    1 weight  0.11000E+01 volume  0.34709E-03 ppm1      8.892 ppm2      0.496 CV     1
 ASSI { 1033}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 58   and name HD2 ))
      4.100     2.100     1.900 peak  1033 spectrum    1 weight  0.11000E+01 volume  0.22552E-03 ppm1      8.892 ppm2      3.176 CV     1
 ASSI { 1034}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      4.200     2.200     1.800 peak  1034 spectrum    1 weight  0.11000E+01 volume  0.19152E-03 ppm1      9.104 ppm2      0.468 CV     1
 ASSI { 1040}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     3.600     2.400 peak  1040 spectrum    1 weight  0.11000E+01 volume  0.45759E-03 ppm1      8.635 ppm2      4.567 CV     1
 ASSI { 1041}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      3.100     1.200     1.200 peak  1041 spectrum    1 weight  0.11000E+01 volume  0.11237E-02 ppm1      8.602 ppm2      1.690 CV     1
 ASSI { 1045}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 70   and name HA  ))
      3.300     1.400     1.400 peak  1045 spectrum    1 weight  0.11000E+01 volume  0.78152E-03 ppm1      6.941 ppm2      4.172 CV     1
 ASSI { 1046}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 54   and name HG  ))
      3.300     1.300     1.300 peak  1046 spectrum    1 weight  0.11000E+01 volume  0.83304E-03 ppm1      6.941 ppm2      1.580 CV     1
 ASSI { 1048}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.500     3.500     2.500 peak  1048 spectrum    1 weight  0.11000E+01 volume  0.55577E-03 ppm1      7.761 ppm2      1.354 CV     1
 ASSI { 1049}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      3.800     1.800     1.800 peak  1049 spectrum    1 weight  0.11000E+01 volume  0.33444E-03 ppm1      7.761 ppm2      1.097 CV     1
 ASSI { 1052}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.500     1.500 peak  1052 spectrum    1 weight  0.11000E+01 volume  0.61363E-03 ppm1      7.761 ppm2      4.060 CV     1
 ASSI { 1053}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG13))
      3.700     1.700     1.700 peak  1053 spectrum    1 weight  0.11000E+01 volume  0.41590E-03 ppm1      8.470 ppm2      0.855 CV     1
 ASSI { 1054}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.700     1.700     1.700 peak  1054 spectrum    1 weight  0.11000E+01 volume  0.41330E-03 ppm1      8.470 ppm2      1.338 CV     1
 ASSI { 1056}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      2.600     2.600     3.400 peak  1056 spectrum    1 weight  0.11000E+01 volume  0.37071E-02 ppm1      8.163 ppm2      1.359 CV     1
 ASSI { 1058}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      3.400     1.500     1.500 peak  1058 spectrum    1 weight  0.11000E+01 volume  0.64357E-03 ppm1      8.264 ppm2      2.527 CV     1
 ASSI { 1059}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.600     1.600     1.600 peak  1059 spectrum    1 weight  0.11000E+01 volume  0.47363E-03 ppm1      8.264 ppm2      2.744 CV     1
 ASSI { 1064}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.300     1.300 peak  1064 spectrum    1 weight  0.11000E+01 volume  0.82028E-03 ppm1      9.308 ppm2      9.080 CV     1
 ASSI { 1069}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.200     1.300     1.300 peak  1069 spectrum    1 weight  0.11000E+01 volume  0.92942E-03 ppm1      7.762 ppm2      2.428 CV     1
 ASSI { 1074}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     3.400     2.600 peak  1074 spectrum    1 weight  0.11000E+01 volume  0.72254E-03 ppm1      8.005 ppm2      2.527 CV     1
 ASSI { 1075}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.700     1.700     1.700 peak  1075 spectrum    1 weight  0.11000E+01 volume  0.43126E-03 ppm1      8.005 ppm2      2.942 CV     1
 ASSI { 1076}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.300     1.400     1.400 peak  1076 spectrum    1 weight  0.11000E+01 volume  0.77068E-03 ppm1      8.005 ppm2      0.745 CV     1
 ASSI { 1077}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak  1077 spectrum    1 weight  0.11000E+01 volume  0.12248E-02 ppm1      8.005 ppm2      4.388 CV     1
 ASSI { 1078}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.500     1.500 peak  1078 spectrum    1 weight  0.11000E+01 volume  0.64357E-03 ppm1      9.022 ppm2      3.558 CV     1
 ASSI { 1079}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HG13))
      3.600     3.600     2.400 peak  1079 spectrum    1 weight  0.11000E+01 volume  0.45499E-03 ppm1      9.022 ppm2      0.893 CV     1
 ASSI { 1080}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HG13))
      3.600     3.600     2.400 peak  1080 spectrum    1 weight  0.11000E+01 volume  0.49488E-03 ppm1      7.761 ppm2      0.825 CV     1
 ASSI { 1081}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 37   and name HB% )
      3.400     1.400     1.400 peak  1081 spectrum    1 weight  0.11000E+01 volume  0.68718E-03 ppm1      8.642 ppm2      1.552 CV     1
 ASSI { 1084}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      3.500     3.500     2.500 peak  1084 spectrum    1 weight  0.11000E+01 volume  0.55001E-03 ppm1      7.911 ppm2      1.557 CV     1
 ASSI { 1089}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.900     1.900     1.900 peak  1089 spectrum    1 weight  0.11000E+01 volume  0.28088E-03 ppm1      7.911 ppm2      3.279 CV     1
 ASSI { 1091}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak  1091 spectrum    1 weight  0.11000E+01 volume  0.27919E-03 ppm1      8.642 ppm2      7.931 CV     1
 ASSI { 1092}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.900     1.900 peak  1092 spectrum    1 weight  0.11000E+01 volume  0.31669E-03 ppm1      8.005 ppm2      8.644 CV     1
 ASSI { 1102}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.900     1.900     1.900 peak  1102 spectrum    1 weight  0.11000E+01 volume  0.30088E-03 ppm1      8.926 ppm2      0.705 CV     1
 ASSI { 1103}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.400     1.500     1.500 peak  1103 spectrum    1 weight  0.11000E+01 volume  0.64718E-03 ppm1      7.688 ppm2      1.834 CV     1
 ASSI { 1104}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      3.600     1.600     1.600 peak  1104 spectrum    1 weight  0.11000E+01 volume  0.45635E-03 ppm1      7.688 ppm2      1.953 CV     1
 ASSI { 1105}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HD3 ))
      3.900     1.900     1.900 peak  1105 spectrum    1 weight  0.11000E+01 volume  0.28179E-03 ppm1      8.163 ppm2      3.675 CV     1
 ASSI { 1109}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.600     3.600     2.400 peak  1109 spectrum    1 weight  0.11000E+01 volume  0.44031E-03 ppm1      9.172 ppm2      4.368 CV     1
 ASSI { 1112}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.600     1.600     1.600 peak  1112 spectrum    1 weight  0.11000E+01 volume  0.51284E-03 ppm1      7.284 ppm2      2.309 CV     1
 ASSI { 1114}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HE21))
      4.200     2.200     1.800 peak  1114 spectrum    1 weight  0.11000E+01 volume  0.19716E-03 ppm1      7.284 ppm2      6.941 CV     1
 ASSI { 1115}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 36   and name HA  ))
      3.800     1.800     1.800 peak  1115 spectrum    1 weight  0.11000E+01 volume  0.36167E-03 ppm1      6.937 ppm2      4.368 CV     1
 ASSI { 1116}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 36   and name HA  ))
      3.500     1.500     1.500 peak  1116 spectrum    1 weight  0.11000E+01 volume  0.54685E-03 ppm1      6.764 ppm2      4.388 CV     1
 ASSI { 1117}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.400     1.400 peak  1117 spectrum    1 weight  0.11000E+01 volume  0.75339E-03 ppm1      6.764 ppm2      1.873 CV     1
 ASSI { 1121}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.700     1.700     1.700 peak  1121 spectrum    1 weight  0.11000E+01 volume  0.40370E-03 ppm1      8.837 ppm2      3.081 CV     1
 ASSI { 1127}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak  1127 spectrum    1 weight  0.11000E+01 volume  0.18891E-02 ppm1      8.685 ppm2      5.142 CV     1
 ASSI { 1129}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     3.700     2.300 peak  1129 spectrum    1 weight  0.11000E+01 volume  0.37296E-03 ppm1      8.604 ppm2      1.466 CV     1
 ASSI { 1130}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 9    and name HD3 ))
      3.900     1.900     1.900 peak  1130 spectrum    1 weight  0.11000E+01 volume  0.29128E-03 ppm1      8.604 ppm2      3.884 CV     1
 ASSI { 1131}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak  1131 spectrum    1 weight  0.11000E+01 volume  0.12157E-02 ppm1      9.210 ppm2      4.808 CV     1
 ASSI { 1132}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     3.800     2.200 peak  1132 spectrum    1 weight  0.11000E+01 volume  0.32302E-03 ppm1      8.795 ppm2      0.852 CV     1
 ASSI { 1133}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  1133 spectrum    1 weight  0.11000E+01 volume  0.20586E-02 ppm1      8.877 ppm2      2.250 CV     1
 ASSI { 1135}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 65   and name HE% )
      3.200     3.200     2.800 peak  1135 spectrum    1 weight  0.11000E+01 volume  0.93835E-03 ppm1      7.762 ppm2      1.781 CV     1
 ASSI { 1136}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 65   and name HE% )
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.11000E+01 volume  0.22010E-03 ppm1      8.542 ppm2      1.790 CV     1
 ASSI { 1139}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.900     1.900     1.900 peak  1139 spectrum    1 weight  0.11000E+01 volume  0.27760E-03 ppm1      7.481 ppm2      8.046 CV     1
 ASSI { 1141}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HB% )
      3.100     3.100     2.900 peak  1141 spectrum    1 weight  0.11000E+01 volume  0.12722E-02 ppm1      7.966 ppm2      1.512 CV     1
 ASSI { 1143}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak  1143 spectrum    1 weight  0.11000E+01 volume  0.13525E-02 ppm1      7.966 ppm2      3.548 CV     1
 ASSI { 1147}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak  1147 spectrum    1 weight  0.11000E+01 volume  0.71893E-03 ppm1      8.470 ppm2      4.396 CV     1
 ASSI { 1148}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak  1148 spectrum    1 weight  0.11000E+01 volume  0.54109E-03 ppm1      8.642 ppm2      3.860 CV     1
 ASSI { 1149}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1149 spectrum    1 weight  0.11000E+01 volume  0.11784E-02 ppm1      7.761 ppm2      4.301 CV     1
 ASSI { 1150}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     1.600     1.600 peak  1150 spectrum    1 weight  0.11000E+01 volume  0.53272E-03 ppm1      7.761 ppm2      4.391 CV     1
 ASSI { 1152}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak  1152 spectrum    1 weight  0.11000E+01 volume  0.67803E-03 ppm1      7.795 ppm2      4.279 CV     1
 ASSI { 1155}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      3.700     1.700     1.700 peak  1155 spectrum    1 weight  0.11000E+01 volume  0.41782E-03 ppm1      8.926 ppm2      1.544 CV     1
 ASSI { 1157}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.300     1.300     1.300 peak  1157 spectrum    1 weight  0.11000E+01 volume  0.84468E-03 ppm1      7.223 ppm2      0.740 CV     1
 ASSI { 1158}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.900     3.900     2.100 peak  1158 spectrum    1 weight  0.11000E+01 volume  0.27173E-03 ppm1      8.892 ppm2      5.135 CV     1
 ASSI { 1159}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.000     1.100     1.100 peak  1159 spectrum    1 weight  0.11000E+01 volume  0.15197E-02 ppm1      7.966 ppm2      2.053 CV     1
 ASSI { 1160}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.600     3.600     2.400 peak  1160 spectrum    1 weight  0.11000E+01 volume  0.49296E-03 ppm1      8.179 ppm2      2.254 CV     1
 ASSI { 1163}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak  1163 spectrum    1 weight  0.11000E+01 volume  0.18417E-03 ppm1      8.179 ppm2      5.147 CV     1
 ASSI { 1165}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HD3 ))
      3.200     1.300     1.300 peak  1165 spectrum    1 weight  0.11000E+01 volume  0.89981E-03 ppm1      8.005 ppm2      1.426 CV     1
 ASSI { 1167}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.000     1.100     1.100 peak  1167 spectrum    1 weight  0.11000E+01 volume  0.13886E-02 ppm1      9.022 ppm2      1.979 CV     1
 ASSI { 1168}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.000     1.000 peak  1168 spectrum    1 weight  0.11000E+01 volume  0.17818E-02 ppm1      9.087 ppm2      4.929 CV     1
 ASSI { 1169}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 65   and name HE% )
      3.200     1.200     1.200 peak  1169 spectrum    1 weight  0.11000E+01 volume  0.10295E-02 ppm1      9.087 ppm2      1.814 CV     1
 ASSI { 1172}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.500     1.500 peak  1172 spectrum    1 weight  0.11000E+01 volume  0.55577E-03 ppm1      9.084 ppm2      4.814 CV     1
 ASSI { 1176}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak  1176 spectrum    1 weight  0.11000E+01 volume  0.15502E-02 ppm1      8.711 ppm2      4.438 CV     1
 ASSI { 1181}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 73   and name HA1 ))
      4.400     4.400     1.600 peak  1181 spectrum    1 weight  0.11000E+01 volume  0.14631E-03 ppm1      8.239 ppm2      4.354 CV     1
 ASSI { 1182}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 73   and name HA2 ))
      4.600     2.600     1.400 peak  1182 spectrum    1 weight  0.11000E+01 volume  0.10813E-03 ppm1      8.239 ppm2      3.654 CV     1
 ASSI { 1183}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      3.800     1.800     1.800 peak  1183 spectrum    1 weight  0.11000E+01 volume  0.35207E-03 ppm1      8.239 ppm2      1.583 CV     1
 ASSI { 1184}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.000     1.100     1.100 peak  1184 spectrum    1 weight  0.11000E+01 volume  0.13762E-02 ppm1      8.239 ppm2      0.680 CV     1
 ASSI { 1185}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.200     1.300     1.300 peak  1185 spectrum    1 weight  0.11000E+01 volume  0.93191E-03 ppm1      8.239 ppm2      0.879 CV     1
 ASSI { 1187}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.600     1.700     1.700 peak  1187 spectrum    1 weight  0.11000E+01 volume  0.44086E-03 ppm1      9.164 ppm2      1.117 CV     1
 ASSI { 1189}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.000     1.100     1.100 peak  1189 spectrum    1 weight  0.11000E+01 volume  0.14010E-02 ppm1      9.164 ppm2      0.789 CV     1
 ASSI { 1190}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.100     2.100     1.900 peak  1190 spectrum    1 weight  0.11000E+01 volume  0.21817E-03 ppm1      8.733 ppm2      4.171 CV     1
 ASSI { 1193}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.100     4.100     1.900 peak  1193 spectrum    1 weight  0.11000E+01 volume  0.22529E-03 ppm1      9.192 ppm2      5.078 CV     1
 ASSI { 1195}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.100     2.100     1.900 peak  1195 spectrum    1 weight  0.11000E+01 volume  0.20790E-03 ppm1      9.084 ppm2      1.971 CV     1
 ASSI { 1196}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.100     2.100     1.900 peak  1196 spectrum    1 weight  0.11000E+01 volume  0.21851E-03 ppm1      9.084 ppm2      2.910 CV     1
 ASSI { 1197}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      4.000     2.000     2.000 peak  1197 spectrum    1 weight  0.11000E+01 volume  0.23739E-03 ppm1      8.210 ppm2      0.879 CV     1
 ASSI { 1198}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.600     1.600     1.600 peak  1198 spectrum    1 weight  0.11000E+01 volume  0.45827E-03 ppm1      8.604 ppm2      4.929 CV     1
 ASSI { 1199}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.300     1.400     1.400 peak  1199 spectrum    1 weight  0.11000E+01 volume  0.79971E-03 ppm1      8.604 ppm2      1.793 CV     1
 ASSI { 1200}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      4.100     2.100     1.900 peak  1200 spectrum    1 weight  0.11000E+01 volume  0.20981E-03 ppm1      8.604 ppm2      1.315 CV     1
 ASSI { 1203}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.200     1.300     1.300 peak  1203 spectrum    1 weight  0.11000E+01 volume  0.10140E-02 ppm1      8.542 ppm2      2.137 CV     1
 ASSI { 1208}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.000     1.200     1.200 peak  1208 spectrum    1 weight  0.11000E+01 volume  0.13174E-02 ppm1      8.926 ppm2      4.171 CV     1
 ASSI { 1210}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.300     4.300     1.700 peak  1210 spectrum    1 weight  0.11000E+01 volume  0.16948E-03 ppm1      7.688 ppm2      2.322 CV     1
 ASSI { 1215}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.200     1.300     1.300 peak  1215 spectrum    1 weight  0.11000E+01 volume  0.10102E-02 ppm1      7.902 ppm2      2.115 CV     1
 ASSI { 1216}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.100     1.200     1.200 peak  1216 spectrum    1 weight  0.11000E+01 volume  0.11694E-02 ppm1      7.902 ppm2      0.875 CV     1
 ASSI { 1217}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HD3 ))
      4.400     4.400     1.600 peak  1217 spectrum    1 weight  0.11000E+01 volume  0.14722E-03 ppm1      7.902 ppm2      3.711 CV     1
 ASSI { 1218}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak  1218 spectrum    1 weight  0.11000E+01 volume  0.21614E-02 ppm1      7.284 ppm2      4.067 CV     1
 ASSI { 1220}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HG12))
      2.900     2.900     3.100 peak  1220 spectrum    1 weight  0.11000E+01 volume  0.18845E-02 ppm1      7.284 ppm2      0.890 CV     1
 ASSI { 1222}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.100     2.100     1.900 peak  1222 spectrum    1 weight  0.11000E+01 volume  0.21727E-03 ppm1      8.635 ppm2      5.285 CV     1
 ASSI { 1227}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      4.100     2.100     1.900 peak  1227 spectrum    1 weight  0.11000E+01 volume  0.21083E-03 ppm1     10.237 ppm2      1.587 CV     1
 ASSI { 1228}
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 55   and name HA  ))
      4.100     2.100     1.900 peak  1228 spectrum    1 weight  0.11000E+01 volume  0.21817E-03 ppm1      6.941 ppm2      4.469 CV     1
 ASSI { 1229}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     2.900     3.100 peak  1229 spectrum    1 weight  0.11000E+01 volume  0.17027E-02 ppm1      8.837 ppm2      4.745 CV     1
 ASSI { 1230}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.300     1.300     1.300 peak  1230 spectrum    1 weight  0.11000E+01 volume  0.84977E-03 ppm1      8.837 ppm2      0.955 CV     1
 ASSI { 1231}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      3.100     1.200     1.200 peak  1231 spectrum    1 weight  0.11000E+01 volume  0.11273E-02 ppm1      7.923 ppm2      3.585 CV     1
 ASSI { 1232}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.700     1.800     1.800 peak  1232 spectrum    1 weight  0.11000E+01 volume  0.37251E-03 ppm1      7.923 ppm2      4.481 CV     1
 ASSI { 1233}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1233 spectrum    1 weight  0.11000E+01 volume  0.36031E-03 ppm1      7.923 ppm2      4.630 CV     1
 ASSI { 1234}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.700     3.700     2.300 peak  1234 spectrum    1 weight  0.11000E+01 volume  0.42810E-03 ppm1      7.923 ppm2      4.906 CV     1
 ASSI { 1235}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.000     1.100     1.100 peak  1235 spectrum    1 weight  0.11000E+01 volume  0.15592E-02 ppm1      7.923 ppm2      0.967 CV     1
 ASSI { 1236}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      4.000     2.000     2.000 peak  1236 spectrum    1 weight  0.11000E+01 volume  0.25061E-03 ppm1      7.923 ppm2      1.173 CV     1
 ASSI { 1238}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.700     1.700 peak  1238 spectrum    1 weight  0.11000E+01 volume  0.43963E-03 ppm1      8.654 ppm2      5.124 CV     1
 ASSI { 1240}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      3.800     1.800     1.800 peak  1240 spectrum    1 weight  0.11000E+01 volume  0.33669E-03 ppm1      8.654 ppm2      1.168 CV     1
 ASSI { 1241}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.200     2.200     1.800 peak  1241 spectrum    1 weight  0.11000E+01 volume  0.19264E-03 ppm1      8.047 ppm2      4.297 CV     1
 ASSI { 1243}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      4.000     2.000     2.000 peak  1243 spectrum    1 weight  0.11000E+01 volume  0.24133E-03 ppm1      7.481 ppm2      5.250 CV     1
 ASSI { 1245}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.800     1.800     1.800 peak  1245 spectrum    1 weight  0.11000E+01 volume  0.32946E-03 ppm1      9.186 ppm2      4.596 CV     1
 ASSI { 1246}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      4.100     2.100     1.900 peak  1246 spectrum    1 weight  0.11000E+01 volume  0.20337E-03 ppm1      8.795 ppm2      4.090 CV     1
 ASSI { 1247}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.200     2.200     1.800 peak  1247 spectrum    1 weight  0.11000E+01 volume  0.19468E-03 ppm1      9.186 ppm2      4.400 CV     1
 ASSI { 1248}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     2.600     3.400 peak  1248 spectrum    1 weight  0.11000E+01 volume  0.33432E-02 ppm1      8.597 ppm2      4.779 CV     1
 ASSI { 1250}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.900     2.900     3.100 peak  1250 spectrum    1 weight  0.11000E+01 volume  0.17841E-02 ppm1      8.597 ppm2      4.067 CV     1
 ASSI { 1251}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak  1251 spectrum    1 weight  0.11000E+01 volume  0.48798E-02 ppm1      8.597 ppm2      5.124 CV     1
 ASSI { 1253}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      4.100     2.100     1.900 peak  1253 spectrum    1 weight  0.11000E+01 volume  0.20506E-03 ppm1      7.923 ppm2      0.737 CV     1
 ASSI { 1259}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.900     3.900     2.100 peak  1259 spectrum    1 weight  0.11000E+01 volume  0.31398E-03 ppm1      8.284 ppm2      0.634 CV     1
 ASSI { 1260}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      3.400     1.400     1.400 peak  1260 spectrum    1 weight  0.11000E+01 volume  0.71712E-03 ppm1      8.918 ppm2      0.955 CV     1
 ASSI { 1261}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      2.700     2.700     3.300 peak  1261 spectrum    1 weight  0.11000E+01 volume  0.25919E-02 ppm1      8.918 ppm2      0.726 CV     1
 ASSI { 1264}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.600     1.600     1.600 peak  1264 spectrum    1 weight  0.11000E+01 volume  0.50696E-03 ppm1      8.434 ppm2      4.251 CV     1
 ASSI { 1268}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      3.800     3.800     2.200 peak  1268 spectrum    1 weight  0.11000E+01 volume  0.32529E-03 ppm1      8.926 ppm2      1.914 CV     1
 ASSI { 1269}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.200     2.200     1.800 peak  1269 spectrum    1 weight  0.11000E+01 volume  0.19218E-03 ppm1      8.926 ppm2      2.358 CV     1
 ASSI { 1270}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.100     2.100     1.900 peak  1270 spectrum    1 weight  0.11000E+01 volume  0.20631E-03 ppm1      7.223 ppm2      4.534 CV     1
 ASSI { 1271}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HD3 ))
      4.200     4.200     1.800 peak  1271 spectrum    1 weight  0.11000E+01 volume  0.17513E-03 ppm1      7.911 ppm2      1.117 CV     1
 ASSI { 1272}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.000     1.100     1.100 peak  1272 spectrum    1 weight  0.11000E+01 volume  0.13581E-02 ppm1      7.689 ppm2      4.176 CV     1
 ASSI { 1273}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      3.300     1.400     1.400 peak  1273 spectrum    1 weight  0.11000E+01 volume  0.74164E-03 ppm1      8.163 ppm2      1.560 CV     1
 ASSI { 1274}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     3.000     3.000 peak  1274 spectrum    1 weight  0.11000E+01 volume  0.14067E-02 ppm1      7.902 ppm2      4.329 CV     1
 ASSI { 1275}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak  1275 spectrum    1 weight  0.11000E+01 volume  0.26122E-03 ppm1      7.873 ppm2      4.529 CV     1
 ASSI { 1277}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.300     1.400     1.400 peak  1277 spectrum    1 weight  0.11000E+01 volume  0.76977E-03 ppm1      7.977 ppm2      8.526 CV     1
 ASSI { 1278}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      4.300     2.300     1.700 peak  1278 spectrum    1 weight  0.11000E+01 volume  0.16236E-03 ppm1      9.210 ppm2      6.945 CV     1
 ASSI { 1279}
   (( segid "    " and resid 74   and name HD21))
   (( segid "    " and resid 74   and name HB3 ))
      4.200     4.200     1.800 peak  1279 spectrum    1 weight  0.11000E+01 volume  0.19795E-03 ppm1      7.536 ppm2      2.765 CV     1
 ASSI { 1280}
   (( segid "    " and resid 74   and name HD21))
   (( segid "    " and resid 71   and name HD2 ))
      4.300     2.300     1.700 peak  1280 spectrum    1 weight  0.11000E+01 volume  0.16880E-03 ppm1      7.536 ppm2      3.283 CV     1
 ASSI { 1281}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 11   and name HE% )
      3.700     3.700     2.300 peak  1281 spectrum    1 weight  0.11000E+01 volume  0.39387E-03 ppm1      8.284 ppm2      7.347 CV     1
 ASSI { 1282}
   (( segid "    " and resid 74   and name HD21))
   (  segid "    " and resid 11   and name HE% )
      3.900     3.900     2.100 peak  1282 spectrum    1 weight  0.11000E+01 volume  0.31353E-03 ppm1      7.536 ppm2      7.328 CV     1
 ASSI { 1283}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      3.100     1.200     1.200 peak  1283 spectrum    1 weight  0.11000E+01 volume  0.11366E-02 ppm1      9.035 ppm2      0.597 CV     1
 ASSI { 1285}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.200     0.600     0.600 peak  1285 spectrum    1 weight  0.11000E+01 volume  0.10225E-01 ppm1      9.035 ppm2      5.028 CV     1
 ASSI { 1286}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 65   and name HE% )
      3.800     1.800     1.800 peak  1286 spectrum    1 weight  0.11000E+01 volume  0.36800E-03 ppm1      6.700 ppm2      1.800 CV     1
 ASSI {    4}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.800     0.900     0.900 peak     4 spectrum    1 weight  0.11000E+01 volume  0.22621E-02 ppm1      1.457 ppm2      4.432 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.700     0.900     0.900 peak     7 spectrum    1 weight  0.11000E+01 volume  0.25003E-02 ppm1      4.532 ppm2      2.142 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG3 ))
      4.000     2.000     2.000 peak     9 spectrum    1 weight  0.11000E+01 volume  0.23444E-03 ppm1      4.532 ppm2      2.627 CV     1
 ASSI {   13}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HG3 ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.11000E+01 volume  0.25929E-02 ppm1      2.142 ppm2      2.627 CV     1
 ASSI {   14}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HA  ))
      3.700     1.800     1.800 peak    14 spectrum    1 weight  0.11000E+01 volume  0.35767E-03 ppm1      2.700 ppm2      4.532 CV     1
 ASSI {   15}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.400     0.700     0.700 peak    15 spectrum    1 weight  0.11000E+01 volume  0.45904E-02 ppm1      2.700 ppm2      2.142 CV     1
 ASSI {   17}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HG3 ))
      1.600     0.300     0.600 peak    17 spectrum    1 weight  0.11000E+01 volume  0.50437E-01 ppm1      2.700 ppm2      2.627 CV     1
 ASSI {   25}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak    25 spectrum    1 weight  0.11000E+01 volume  0.14495E-02 ppm1      2.810 ppm2      4.886 CV     1
 ASSI {   27}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB3 ))
      1.700     0.400     0.500 peak    27 spectrum    1 weight  0.11000E+01 volume  0.42238E-01 ppm1      2.810 ppm2      2.593 CV     1
 ASSI {   28}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.000     1.000 peak    28 spectrum    1 weight  0.11000E+01 volume  0.18103E-02 ppm1      2.593 ppm2      4.886 CV     1
 ASSI {   33}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak    33 spectrum    1 weight  0.11000E+01 volume  0.55837E-02 ppm1      4.239 ppm2      2.047 CV     1
 ASSI {   34}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.000     1.100     1.100 peak    34 spectrum    1 weight  0.11000E+01 volume  0.14896E-02 ppm1      4.239 ppm2      2.326 CV     1
 ASSI {   38}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG2 ))
      2.200     0.600     0.600 peak    38 spectrum    1 weight  0.11000E+01 volume  0.98819E-02 ppm1      2.047 ppm2      2.326 CV     1
 ASSI {   46}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.600     0.800     0.800 peak    46 spectrum    1 weight  0.11000E+01 volume  0.32320E-02 ppm1      4.218 ppm2      1.791 CV     1
 ASSI {   48}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      2.600     0.800     0.800 peak    48 spectrum    1 weight  0.11000E+01 volume  0.34805E-02 ppm1      4.218 ppm2      1.999 CV     1
 ASSI {   50}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak    50 spectrum    1 weight  0.11000E+01 volume  0.14823E-02 ppm1      1.917 ppm2      4.218 CV     1
 ASSI {   52}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.000     0.500     0.500 peak    52 spectrum    1 weight  0.11000E+01 volume  0.16091E-01 ppm1      1.917 ppm2      1.791 CV     1
 ASSI {   53}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.600     0.800     0.800 peak    53 spectrum    1 weight  0.11000E+01 volume  0.33960E-02 ppm1      1.917 ppm2      2.192 CV     1
 ASSI {   54}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.000     0.500     0.500 peak    54 spectrum    1 weight  0.11000E+01 volume  0.14335E-01 ppm1      1.917 ppm2      1.999 CV     1
 ASSI {   62}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak    62 spectrum    1 weight  0.11000E+01 volume  0.14473E-02 ppm1      2.192 ppm2      4.218 CV     1
 ASSI {   64}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.700     0.900     0.900 peak    64 spectrum    1 weight  0.11000E+01 volume  0.27095E-02 ppm1      2.192 ppm2      1.791 CV     1
 ASSI {   66}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.000     0.500     0.500 peak    66 spectrum    1 weight  0.11000E+01 volume  0.16586E-01 ppm1      2.192 ppm2      1.999 CV     1
 ASSI {   70}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.600     0.800     0.800 peak    70 spectrum    1 weight  0.11000E+01 volume  0.34710E-02 ppm1      1.999 ppm2      1.791 CV     1
 ASSI {   81}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak    81 spectrum    1 weight  0.11000E+01 volume  0.10188E-02 ppm1      1.698 ppm2      4.875 CV     1
 ASSI {   84}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG  ))
      1.700     1.700     4.300 peak    84 spectrum    1 weight  0.11000E+01 volume  0.38260E-01 ppm1      1.698 ppm2      1.719 CV     1
 ASSI {   86}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HD2%)
      2.600     0.800     0.800 peak    86 spectrum    1 weight  0.11000E+01 volume  0.31475E-02 ppm1      1.698 ppm2      0.822 CV     1
 ASSI {   88}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak    88 spectrum    1 weight  0.11000E+01 volume  0.16178E-02 ppm1      1.064 ppm2      4.875 CV     1
 ASSI {   89}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.100     0.500     0.500 peak    89 spectrum    1 weight  0.11000E+01 volume  0.12200E-01 ppm1      1.064 ppm2      1.698 CV     1
 ASSI {   92}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HD1%)
      2.700     0.900     0.900 peak    92 spectrum    1 weight  0.11000E+01 volume  0.25470E-02 ppm1      1.064 ppm2      0.724 CV     1
 ASSI {   93}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HD2%)
      2.700     0.900     0.900 peak    93 spectrum    1 weight  0.11000E+01 volume  0.24246E-02 ppm1      1.064 ppm2      0.822 CV     1
 ASSI {   95}
   (( segid "    " and resid 8    and name HG  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak    95 spectrum    1 weight  0.11000E+01 volume  0.10749E-02 ppm1      1.719 ppm2      4.875 CV     1
 ASSI {   97}
   (( segid "    " and resid 8    and name HG  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.000     1.200     1.200 peak    97 spectrum    1 weight  0.11000E+01 volume  0.12651E-02 ppm1      1.719 ppm2      1.064 CV     1
 ASSI {  101}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.500     1.500 peak   101 spectrum    1 weight  0.11000E+01 volume  0.59117E-03 ppm1      0.724 ppm2      9.108 CV     1
 ASSI {  102}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.200     1.200 peak   102 spectrum    1 weight  0.11000E+01 volume  0.12257E-02 ppm1      0.724 ppm2      4.875 CV     1
 ASSI {  103}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HB2 ))
      2.100     0.500     0.500 peak   103 spectrum    1 weight  0.11000E+01 volume  0.12928E-01 ppm1      0.724 ppm2      1.698 CV     1
 ASSI {  105}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HG  ))
      2.100     0.500     0.500 peak   105 spectrum    1 weight  0.11000E+01 volume  0.12928E-01 ppm1      0.724 ppm2      1.719 CV     1
 ASSI {  107}
   (  segid "    " and resid 8    and name HD1%)
   (  segid "    " and resid 8    and name HD2%)
      1.800     0.400     0.400 peak   107 spectrum    1 weight  0.11000E+01 volume  0.28254E-01 ppm1      0.724 ppm2      0.822 CV     1
 ASSI {  109}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.800     0.800 peak   109 spectrum    1 weight  0.11000E+01 volume  0.32597E-02 ppm1      0.822 ppm2      4.875 CV     1
 ASSI {  112}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 8    and name HG  ))
      2.100     0.500     0.500 peak   112 spectrum    1 weight  0.11000E+01 volume  0.12404E-01 ppm1      0.822 ppm2      1.719 CV     1
 ASSI {  116}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.100     1.200     1.200 peak   116 spectrum    1 weight  0.11000E+01 volume  0.11194E-02 ppm1      3.914 ppm2      2.052 CV     1
 ASSI {  117}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HB3 ))
      3.000     1.200     1.200 peak   117 spectrum    1 weight  0.11000E+01 volume  0.12418E-02 ppm1      3.914 ppm2      1.727 CV     1
 ASSI {  119}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG3 ))
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.11000E+01 volume  0.23022E-02 ppm1      3.914 ppm2      2.163 CV     1
 ASSI {  121}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HD3 ))
      2.200     0.600     0.600 peak   121 spectrum    1 weight  0.11000E+01 volume  0.92989E-02 ppm1      3.914 ppm2      3.602 CV     1
 ASSI {  123}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.400     1.400     1.400 peak   123 spectrum    1 weight  0.11000E+01 volume  0.66068E-03 ppm1      3.602 ppm2      2.052 CV     1
 ASSI {  124}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HB3 ))
      3.000     1.100     1.100 peak   124 spectrum    1 weight  0.11000E+01 volume  0.14473E-02 ppm1      3.602 ppm2      1.727 CV     1
 ASSI {  125}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HG2 ))
      2.800     0.900     0.900 peak   125 spectrum    1 weight  0.11000E+01 volume  0.22621E-02 ppm1      3.602 ppm2      2.336 CV     1
 ASSI {  126}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HG3 ))
      2.800     1.000     1.000 peak   126 spectrum    1 weight  0.11000E+01 volume  0.19931E-02 ppm1      3.602 ppm2      2.163 CV     1
 ASSI {  134}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HD2 ))
      4.800     2.800     1.200 peak   134 spectrum    1 weight  0.11000E+01 volume  0.84316E-04 ppm1      4.859 ppm2      3.914 CV     1
 ASSI {  135}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HD3 ))
      4.200     2.200     1.800 peak   135 spectrum    1 weight  0.11000E+01 volume  0.18817E-03 ppm1      4.859 ppm2      3.602 CV     1
 ASSI {  136}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   136 spectrum    1 weight  0.11000E+01 volume  0.27787E-02 ppm1      2.052 ppm2      4.859 CV     1
 ASSI {  138}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.000     0.500     0.500 peak   138 spectrum    1 weight  0.11000E+01 volume  0.15231E-01 ppm1      2.052 ppm2      1.727 CV     1
 ASSI {  139}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HG2 ))
      2.300     0.600     0.600 peak   139 spectrum    1 weight  0.11000E+01 volume  0.74551E-02 ppm1      2.052 ppm2      2.336 CV     1
 ASSI {  140}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HG3 ))
      2.300     0.700     0.700 peak   140 spectrum    1 weight  0.11000E+01 volume  0.66229E-02 ppm1      2.052 ppm2      2.163 CV     1
 ASSI {  143}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   143 spectrum    1 weight  0.11000E+01 volume  0.18991E-02 ppm1      1.727 ppm2      4.859 CV     1
 ASSI {  146}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HG2 ))
      2.800     1.000     1.000 peak   146 spectrum    1 weight  0.11000E+01 volume  0.18853E-02 ppm1      1.727 ppm2      2.336 CV     1
 ASSI {  147}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HG3 ))
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.11000E+01 volume  0.24275E-02 ppm1      1.727 ppm2      2.163 CV     1
 ASSI {  150}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.400     1.400 peak   150 spectrum    1 weight  0.11000E+01 volume  0.69049E-03 ppm1      2.336 ppm2      4.859 CV     1
 ASSI {  154}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HG3 ))
      2.200     0.600     0.600 peak   154 spectrum    1 weight  0.11000E+01 volume  0.90729E-02 ppm1      2.336 ppm2      2.163 CV     1
 ASSI {  155}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HD2 ))
      2.800     1.000     1.000 peak   155 spectrum    1 weight  0.11000E+01 volume  0.20434E-02 ppm1      2.336 ppm2      3.914 CV     1
 ASSI {  157}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HA  ))
      3.200     1.300     1.300 peak   157 spectrum    1 weight  0.11000E+01 volume  0.92406E-03 ppm1      2.163 ppm2      4.859 CV     1
 ASSI {  164}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   164 spectrum    1 weight  0.11000E+01 volume  0.35737E-02 ppm1      4.657 ppm2      8.750 CV     1
 ASSI {  166}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.11000E+01 volume  0.27984E-02 ppm1      4.657 ppm2      1.481 CV     1
 ASSI {  167}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.600     0.800     0.800 peak   167 spectrum    1 weight  0.11000E+01 volume  0.34849E-02 ppm1      4.657 ppm2      1.367 CV     1
 ASSI {  168}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      2.800     1.000     1.000 peak   168 spectrum    1 weight  0.11000E+01 volume  0.21294E-02 ppm1      4.657 ppm2      1.727 CV     1
 ASSI {  169}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      2.700     2.700     3.300 peak   169 spectrum    1 weight  0.11000E+01 volume  0.25732E-02 ppm1      4.657 ppm2      0.809 CV     1
 ASSI {  170}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.000     1.100     1.100 peak   170 spectrum    1 weight  0.11000E+01 volume  0.14408E-02 ppm1      4.657 ppm2      0.753 CV     1
 ASSI {  174}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
      2.000     0.500     0.500 peak   174 spectrum    1 weight  0.11000E+01 volume  0.16696E-01 ppm1      1.481 ppm2      1.367 CV     1
 ASSI {  175}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
      2.800     1.000     1.000 peak   175 spectrum    1 weight  0.11000E+01 volume  0.21229E-02 ppm1      1.481 ppm2      1.727 CV     1
 ASSI {  176}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
      2.600     0.800     0.800 peak   176 spectrum    1 weight  0.11000E+01 volume  0.35220E-02 ppm1      1.481 ppm2      0.809 CV     1
 ASSI {  177}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      2.400     0.700     0.700 peak   177 spectrum    1 weight  0.11000E+01 volume  0.57163E-02 ppm1      1.481 ppm2      0.753 CV     1
 ASSI {  183}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 10   and name HD1%)
      2.500     0.800     0.800 peak   183 spectrum    1 weight  0.11000E+01 volume  0.44979E-02 ppm1      1.367 ppm2      0.809 CV     1
 ASSI {  188}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.600     0.800     0.800 peak   188 spectrum    1 weight  0.11000E+01 volume  0.34237E-02 ppm1      1.727 ppm2      1.367 CV     1
 ASSI {  191}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      2.600     0.800     0.800 peak   191 spectrum    1 weight  0.11000E+01 volume  0.35039E-02 ppm1      1.727 ppm2      0.753 CV     1
 ASSI {  196}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.200     0.600     0.600 peak   196 spectrum    1 weight  0.11000E+01 volume  0.85993E-02 ppm1      0.809 ppm2      1.727 CV     1
 ASSI {  202}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB3 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.11000E+01 volume  0.26957E-02 ppm1      0.753 ppm2      1.367 CV     1
 ASSI {  204}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 10   and name HD1%)
      1.600     0.300     0.600 peak   204 spectrum    1 weight  0.11000E+01 volume  0.54037E-01 ppm1      0.753 ppm2      0.809 CV     1
 ASSI {  208}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak   208 spectrum    1 weight  0.11000E+01 volume  0.14728E-02 ppm1      5.412 ppm2      2.788 CV     1
 ASSI {  209}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.11000E+01 volume  0.23116E-02 ppm1      5.412 ppm2      2.601 CV     1
 ASSI {  213}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
      1.700     0.400     0.500 peak   213 spectrum    1 weight  0.11000E+01 volume  0.36721E-01 ppm1      2.788 ppm2      2.601 CV     1
 ASSI {  220}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak   220 spectrum    1 weight  0.11000E+01 volume  0.12899E-02 ppm1      5.098 ppm2      2.013 CV     1
 ASSI {  221}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.800     1.000     1.000 peak   221 spectrum    1 weight  0.11000E+01 volume  0.19108E-02 ppm1      5.098 ppm2      1.301 CV     1
 ASSI {  222}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      2.900     1.100     1.100 peak   222 spectrum    1 weight  0.11000E+01 volume  0.15202E-02 ppm1      5.098 ppm2      1.533 CV     1
 ASSI {  224}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD2%)
      2.900     1.100     1.100 peak   224 spectrum    1 weight  0.11000E+01 volume  0.15573E-02 ppm1      5.098 ppm2      0.723 CV     1
 ASSI {  229}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG  ))
      3.000     1.100     1.100 peak   229 spectrum    1 weight  0.11000E+01 volume  0.13963E-02 ppm1      2.013 ppm2      1.533 CV     1
 ASSI {  232}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   232 spectrum    1 weight  0.11000E+01 volume  0.96341E-03 ppm1      1.301 ppm2      9.336 CV     1
 ASSI {  234}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.11000E+01 volume  0.52594E-02 ppm1      1.301 ppm2      2.013 CV     1
 ASSI {  238}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HD2%)
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.11000E+01 volume  0.27321E-02 ppm1      1.301 ppm2      0.723 CV     1
 ASSI {  242}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.100     0.600     0.600 peak   242 spectrum    1 weight  0.11000E+01 volume  0.11558E-01 ppm1      1.533 ppm2      1.301 CV     1
 ASSI {  244}
   (( segid "    " and resid 12   and name HG  ))
   (  segid "    " and resid 12   and name HD1%)
      2.300     0.700     0.700 peak   244 spectrum    1 weight  0.11000E+01 volume  0.58927E-02 ppm1      1.533 ppm2      0.906 CV     1
 ASSI {  247}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak   247 spectrum    1 weight  0.11000E+01 volume  0.50939E-02 ppm1      0.906 ppm2      5.098 CV     1
 ASSI {  248}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.11000E+01 volume  0.27656E-02 ppm1      0.906 ppm2      2.013 CV     1
 ASSI {  249}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
      2.400     0.700     0.700 peak   249 spectrum    1 weight  0.11000E+01 volume  0.51931E-02 ppm1      0.906 ppm2      1.301 CV     1
 ASSI {  252}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 12   and name HD2%)
      2.100     0.500     0.500 peak   252 spectrum    1 weight  0.11000E+01 volume  0.12119E-01 ppm1      0.906 ppm2      0.723 CV     1
 ASSI {  255}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HB2 ))
      2.900     1.000     1.000 peak   255 spectrum    1 weight  0.11000E+01 volume  0.18080E-02 ppm1      0.723 ppm2      2.013 CV     1
 ASSI {  257}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HG  ))
      2.100     0.600     0.600 peak   257 spectrum    1 weight  0.11000E+01 volume  0.10254E-01 ppm1      0.723 ppm2      1.533 CV     1
 ASSI {  263}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HG1%)
      2.500     0.800     0.800 peak   263 spectrum    1 weight  0.11000E+01 volume  0.41867E-02 ppm1      4.565 ppm2      0.983 CV     1
 ASSI {  266}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   266 spectrum    1 weight  0.11000E+01 volume  0.21528E-02 ppm1      1.747 ppm2      4.565 CV     1
 ASSI {  268}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 13   and name HG1%)
      2.300     0.700     0.700 peak   268 spectrum    1 weight  0.11000E+01 volume  0.60799E-02 ppm1      1.747 ppm2      0.983 CV     1
 ASSI {  276}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak   276 spectrum    1 weight  0.11000E+01 volume  0.32838E-02 ppm1      0.632 ppm2      4.565 CV     1
 ASSI {  277}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HB  ))
      2.300     0.600     0.600 peak   277 spectrum    1 weight  0.11000E+01 volume  0.70819E-02 ppm1      0.632 ppm2      1.747 CV     1
 ASSI {  278}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 13   and name HG1%)
      2.100     0.500     0.500 peak   278 spectrum    1 weight  0.11000E+01 volume  0.13132E-01 ppm1      0.632 ppm2      0.983 CV     1
 ASSI {  282}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak   282 spectrum    1 weight  0.11000E+01 volume  0.26067E-02 ppm1      4.611 ppm2      2.366 CV     1
 ASSI {  283}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.600     0.900     0.900 peak   283 spectrum    1 weight  0.11000E+01 volume  0.31285E-02 ppm1      4.611 ppm2      2.158 CV     1
 ASSI {  284}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.11000E+01 volume  0.26330E-02 ppm1      4.611 ppm2      2.383 CV     1
 ASSI {  285}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG3 ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.11000E+01 volume  0.27554E-02 ppm1      4.611 ppm2      2.214 CV     1
 ASSI {  289}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      2.100     0.600     0.600 peak   289 spectrum    1 weight  0.11000E+01 volume  0.10028E-01 ppm1      2.366 ppm2      2.158 CV     1
 ASSI {  290}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      2.000     2.000     4.000 peak   290 spectrum    1 weight  0.11000E+01 volume  0.13431E-01 ppm1      2.366 ppm2      2.383 CV     1
 ASSI {  296}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG2 ))
      2.200     0.600     0.600 peak   296 spectrum    1 weight  0.11000E+01 volume  0.89418E-02 ppm1      2.158 ppm2      2.383 CV     1
 ASSI {  303}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HG3 ))
      2.000     0.500     0.500 peak   303 spectrum    1 weight  0.11000E+01 volume  0.14968E-01 ppm1      2.383 ppm2      2.214 CV     1
 ASSI {  304}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.300     1.300 peak   304 spectrum    1 weight  0.11000E+01 volume  0.81838E-03 ppm1      2.214 ppm2      8.758 CV     1
 ASSI {  306}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HB2 ))
      2.000     0.500     0.500 peak   306 spectrum    1 weight  0.11000E+01 volume  0.15610E-01 ppm1      2.214 ppm2      2.366 CV     1
 ASSI {  307}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HB3 ))
      1.900     0.400     0.400 peak   307 spectrum    1 weight  0.11000E+01 volume  0.22548E-01 ppm1      2.214 ppm2      2.158 CV     1
 ASSI {  312}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   312 spectrum    1 weight  0.11000E+01 volume  0.80818E-02 ppm1      4.482 ppm2      4.039 CV     1
 ASSI {  320}
   (( segid "    " and resid 16   and name HA2 ))
   (( segid "    " and resid 16   and name HA1 ))
      1.900     0.400     0.400 peak   320 spectrum    1 weight  0.11000E+01 volume  0.22446E-01 ppm1      3.985 ppm2      4.311 CV     1
 ASSI {  325}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.700     0.900     0.900 peak   325 spectrum    1 weight  0.11000E+01 volume  0.26592E-02 ppm1      4.611 ppm2      2.627 CV     1
 ASSI {  327}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   327 spectrum    1 weight  0.11000E+01 volume  0.23779E-02 ppm1      2.816 ppm2      4.611 CV     1
 ASSI {  332}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.800     0.400     0.400 peak   332 spectrum    1 weight  0.11000E+01 volume  0.29004E-01 ppm1      2.627 ppm2      2.816 CV     1
 ASSI {  334}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.900     0.900 peak   334 spectrum    1 weight  0.11000E+01 volume  0.29231E-02 ppm1      4.187 ppm2      8.601 CV     1
 ASSI {  337}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.600     0.800     0.800 peak   337 spectrum    1 weight  0.11000E+01 volume  0.31570E-02 ppm1      4.187 ppm2      2.011 CV     1
 ASSI {  338}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG2 ))
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.11000E+01 volume  0.26497E-02 ppm1      4.187 ppm2      2.355 CV     1
 ASSI {  340}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   340 spectrum    1 weight  0.11000E+01 volume  0.45904E-02 ppm1      2.129 ppm2      4.187 CV     1
 ASSI {  343}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG2 ))
      2.100     0.600     0.600 peak   343 spectrum    1 weight  0.11000E+01 volume  0.10589E-01 ppm1      2.129 ppm2      2.355 CV     1
 ASSI {  346}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      1.800     0.400     0.400 peak   346 spectrum    1 weight  0.11000E+01 volume  0.28669E-01 ppm1      2.011 ppm2      2.129 CV     1
 ASSI {  348}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HG2 ))
      2.300     0.600     0.600 peak   348 spectrum    1 weight  0.11000E+01 volume  0.75790E-02 ppm1      2.011 ppm2      2.355 CV     1
 ASSI {  356}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      2.200     0.600     0.600 peak   356 spectrum    1 weight  0.11000E+01 volume  0.89126E-02 ppm1      4.251 ppm2      1.413 CV     1
 ASSI {  362}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.600     0.800     0.800 peak   362 spectrum    1 weight  0.11000E+01 volume  0.33865E-02 ppm1      4.236 ppm2      1.754 CV     1
 ASSI {  363}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.400     0.700     0.700 peak   363 spectrum    1 weight  0.11000E+01 volume  0.54780E-02 ppm1      4.236 ppm2      1.679 CV     1
 ASSI {  366}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
      2.800     1.000     1.000 peak   366 spectrum    1 weight  0.11000E+01 volume  0.21694E-02 ppm1      4.236 ppm2      1.364 CV     1
 ASSI {  367}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD3 ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.11000E+01 volume  0.19720E-02 ppm1      4.236 ppm2      1.249 CV     1
 ASSI {  369}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HE3 ))
      5.200     3.300     0.800 peak   369 spectrum    1 weight  0.11000E+01 volume  0.52761E-04 ppm1      4.236 ppm2      3.002 CV     1
 ASSI {  373}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      1.800     0.400     0.400 peak   373 spectrum    1 weight  0.11000E+01 volume  0.32597E-01 ppm1      1.754 ppm2      1.679 CV     1
 ASSI {  374}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
      1.600     1.600     4.400 peak   374 spectrum    1 weight  0.11000E+01 volume  0.49759E-01 ppm1      1.754 ppm2      1.712 CV     1
 ASSI {  375}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.100     0.500     0.500 peak   375 spectrum    1 weight  0.11000E+01 volume  0.12068E-01 ppm1      1.754 ppm2      1.619 CV     1
 ASSI {  380}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   380 spectrum    1 weight  0.11000E+01 volume  0.18641E-02 ppm1      1.679 ppm2      7.993 CV     1
 ASSI {  384}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG2 ))
      1.700     1.700     4.300 peak   384 spectrum    1 weight  0.11000E+01 volume  0.42661E-01 ppm1      1.679 ppm2      1.712 CV     1
 ASSI {  391}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.200     1.200     1.200 peak   391 spectrum    1 weight  0.11000E+01 volume  0.10079E-02 ppm1      1.712 ppm2      4.236 CV     1
 ASSI {  395}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HG3 ))
      1.900     0.400     0.400 peak   395 spectrum    1 weight  0.11000E+01 volume  0.22336E-01 ppm1      1.712 ppm2      1.619 CV     1
 ASSI {  396}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HD2 ))
      2.600     0.800     0.800 peak   396 spectrum    1 weight  0.11000E+01 volume  0.31337E-02 ppm1      1.712 ppm2      1.364 CV     1
 ASSI {  399}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HE3 ))
      2.500     0.800     0.800 peak   399 spectrum    1 weight  0.11000E+01 volume  0.40139E-02 ppm1      1.712 ppm2      3.002 CV     1
 ASSI {  401}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak   401 spectrum    1 weight  0.11000E+01 volume  0.45845E-03 ppm1      1.619 ppm2      4.236 CV     1
 ASSI {  403}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.100     0.500     0.500 peak   403 spectrum    1 weight  0.11000E+01 volume  0.13249E-01 ppm1      1.619 ppm2      1.679 CV     1
 ASSI {  409}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HE3 ))
      3.600     1.600     1.600 peak   409 spectrum    1 weight  0.11000E+01 volume  0.45729E-03 ppm1      1.619 ppm2      3.002 CV     1
 ASSI {  412}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   412 spectrum    1 weight  0.11000E+01 volume  0.22088E-02 ppm1      1.364 ppm2      1.754 CV     1
 ASSI {  413}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.500     0.800     0.800 peak   413 spectrum    1 weight  0.11000E+01 volume  0.39112E-02 ppm1      1.364 ppm2      1.679 CV     1
 ASSI {  415}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.900     1.100     1.100 peak   415 spectrum    1 weight  0.11000E+01 volume  0.15763E-02 ppm1      1.364 ppm2      1.619 CV     1
 ASSI {  417}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HD3 ))
      2.100     0.500     0.500 peak   417 spectrum    1 weight  0.11000E+01 volume  0.12382E-01 ppm1      1.364 ppm2      1.249 CV     1
 ASSI {  422}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     0.900     0.900 peak   422 spectrum    1 weight  0.11000E+01 volume  0.22591E-02 ppm1      1.249 ppm2      1.754 CV     1
 ASSI {  423}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.500     0.800     0.800 peak   423 spectrum    1 weight  0.11000E+01 volume  0.40278E-02 ppm1      1.249 ppm2      1.679 CV     1
 ASSI {  424}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.500     0.800     0.800 peak   424 spectrum    1 weight  0.11000E+01 volume  0.41334E-02 ppm1      1.249 ppm2      1.712 CV     1
 ASSI {  425}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG3 ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.11000E+01 volume  0.14371E-02 ppm1      1.249 ppm2      1.619 CV     1
 ASSI {  430}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HN  ))
      4.400     2.400     1.600 peak   430 spectrum    1 weight  0.11000E+01 volume  0.13351E-03 ppm1      2.996 ppm2      7.993 CV     1
 ASSI {  431}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HA  ))
      4.000     2.000     2.000 peak   431 spectrum    1 weight  0.11000E+01 volume  0.24085E-03 ppm1      2.996 ppm2      4.236 CV     1
 ASSI {  432}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.400     2.400     3.600 peak   432 spectrum    1 weight  0.11000E+01 volume  0.46436E-02 ppm1      2.996 ppm2      1.754 CV     1
 ASSI {  433}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.400     2.400     3.600 peak   433 spectrum    1 weight  0.11000E+01 volume  0.48352E-02 ppm1      2.996 ppm2      1.679 CV     1
 ASSI {  434}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.300     0.700     0.700 peak   434 spectrum    1 weight  0.11000E+01 volume  0.65952E-02 ppm1      2.996 ppm2      1.712 CV     1
 ASSI {  435}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HG3 ))
      3.000     1.100     1.100 peak   435 spectrum    1 weight  0.11000E+01 volume  0.13642E-02 ppm1      2.996 ppm2      1.619 CV     1
 ASSI {  436}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HD2 ))
      3.000     1.200     1.200 peak   436 spectrum    1 weight  0.11000E+01 volume  0.12287E-02 ppm1      2.996 ppm2      1.364 CV     1
 ASSI {  437}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HD3 ))
      3.100     1.200     1.200 peak   437 spectrum    1 weight  0.11000E+01 volume  0.10684E-02 ppm1      2.996 ppm2      1.249 CV     1
 ASSI {  452}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak   452 spectrum    1 weight  0.11000E+01 volume  0.42326E-02 ppm1      5.414 ppm2      1.659 CV     1
 ASSI {  453}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.000     1.100     1.100 peak   453 spectrum    1 weight  0.11000E+01 volume  0.14145E-02 ppm1      5.414 ppm2      1.506 CV     1
 ASSI {  454}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
      3.400     1.500     1.500 peak   454 spectrum    1 weight  0.11000E+01 volume  0.61019E-03 ppm1      5.414 ppm2      2.888 CV     1
 ASSI {  459}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.300     0.700     0.700 peak   459 spectrum    1 weight  0.11000E+01 volume  0.59765E-02 ppm1      1.659 ppm2      1.506 CV     1
 ASSI {  461}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HD3 ))
      3.000     1.200     1.200 peak   461 spectrum    1 weight  0.11000E+01 volume  0.12302E-02 ppm1      1.659 ppm2      2.765 CV     1
 ASSI {  470}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.600     0.800     0.800 peak   470 spectrum    1 weight  0.11000E+01 volume  0.33493E-02 ppm1      2.888 ppm2      1.659 CV     1
 ASSI {  471}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.900     1.100     1.100 peak   471 spectrum    1 weight  0.11000E+01 volume  0.15362E-02 ppm1      2.888 ppm2      1.506 CV     1
 ASSI {  473}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HD3 ))
      1.900     0.400     0.400 peak   473 spectrum    1 weight  0.11000E+01 volume  0.22868E-01 ppm1      2.888 ppm2      2.765 CV     1
 ASSI {  475}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak   475 spectrum    1 weight  0.11000E+01 volume  0.41102E-03 ppm1      2.765 ppm2      5.414 CV     1
 ASSI {  477}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.900     1.100     1.100 peak   477 spectrum    1 weight  0.11000E+01 volume  0.15997E-02 ppm1      2.765 ppm2      1.506 CV     1
 ASSI {  482}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak   482 spectrum    1 weight  0.11000E+01 volume  0.37983E-02 ppm1      4.953 ppm2      2.951 CV     1
 ASSI {  488}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.900     1.100     1.100 peak   488 spectrum    1 weight  0.11000E+01 volume  0.15923E-02 ppm1      4.486 ppm2      1.777 CV     1
 ASSI {  489}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.700     0.900     0.900 peak   489 spectrum    1 weight  0.11000E+01 volume  0.26162E-02 ppm1      4.486 ppm2      1.523 CV     1
 ASSI {  490}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG  ))
      3.100     1.200     1.200 peak   490 spectrum    1 weight  0.11000E+01 volume  0.11609E-02 ppm1      4.486 ppm2      1.265 CV     1
 ASSI {  496}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      2.100     0.600     0.600 peak   496 spectrum    1 weight  0.11000E+01 volume  0.10786E-01 ppm1      1.777 ppm2      1.523 CV     1
 ASSI {  497}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG  ))
      2.700     0.900     0.900 peak   497 spectrum    1 weight  0.11000E+01 volume  0.24209E-02 ppm1      1.777 ppm2      1.265 CV     1
 ASSI {  510}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.000     0.500     0.500 peak   510 spectrum    1 weight  0.11000E+01 volume  0.15494E-01 ppm1      1.265 ppm2      1.523 CV     1
 ASSI {  512}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 23   and name HD1%)
      2.600     0.800     0.800 peak   512 spectrum    1 weight  0.11000E+01 volume  0.34237E-02 ppm1      1.265 ppm2      0.819 CV     1
 ASSI {  515}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   515 spectrum    1 weight  0.11000E+01 volume  0.11624E-02 ppm1      0.819 ppm2      4.486 CV     1
 ASSI {  516}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HB2 ))
      2.200     0.600     0.600 peak   516 spectrum    1 weight  0.11000E+01 volume  0.79288E-02 ppm1      0.819 ppm2      1.777 CV     1
 ASSI {  517}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HB3 ))
      2.200     0.600     0.600 peak   517 spectrum    1 weight  0.11000E+01 volume  0.77976E-02 ppm1      0.819 ppm2      1.523 CV     1
 ASSI {  520}
   (  segid "    " and resid 23   and name HD1%)
   (  segid "    " and resid 23   and name HD2%)
      2.200     0.600     0.600 peak   520 spectrum    1 weight  0.11000E+01 volume  0.90365E-02 ppm1      0.819 ppm2      0.587 CV     1
 ASSI {  522}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   522 spectrum    1 weight  0.11000E+01 volume  0.45838E-02 ppm1      0.587 ppm2      4.486 CV     1
 ASSI {  523}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HB2 ))
      2.600     0.800     0.800 peak   523 spectrum    1 weight  0.11000E+01 volume  0.32554E-02 ppm1      0.587 ppm2      1.777 CV     1
 ASSI {  524}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HB3 ))
      2.600     0.800     0.800 peak   524 spectrum    1 weight  0.11000E+01 volume  0.33676E-02 ppm1      0.587 ppm2      1.523 CV     1
 ASSI {  525}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HG  ))
      2.500     0.800     0.800 peak   525 spectrum    1 weight  0.11000E+01 volume  0.44913E-02 ppm1      0.587 ppm2      1.265 CV     1
 ASSI {  528}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   528 spectrum    1 weight  0.11000E+01 volume  0.31942E-02 ppm1      4.671 ppm2      9.127 CV     1
 ASSI {  530}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.600     0.900     0.900 peak   530 spectrum    1 weight  0.11000E+01 volume  0.30024E-02 ppm1      4.671 ppm2      1.459 CV     1
 ASSI {  532}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG  ))
      2.600     0.800     0.800 peak   532 spectrum    1 weight  0.11000E+01 volume  0.35505E-02 ppm1      4.671 ppm2      1.607 CV     1
 ASSI {  533}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
      2.400     0.700     0.700 peak   533 spectrum    1 weight  0.11000E+01 volume  0.54912E-02 ppm1      4.671 ppm2      0.731 CV     1
 ASSI {  537}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
      2.000     0.500     0.500 peak   537 spectrum    1 weight  0.11000E+01 volume  0.16280E-01 ppm1      1.459 ppm2      1.365 CV     1
 ASSI {  539}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 24   and name HD1%)
      2.300     2.300     3.700 peak   539 spectrum    1 weight  0.11000E+01 volume  0.58548E-02 ppm1      1.459 ppm2      0.731 CV     1
 ASSI {  541}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak   541 spectrum    1 weight  0.11000E+01 volume  0.31664E-02 ppm1      1.365 ppm2      4.671 CV     1
 ASSI {  544}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HG  ))
      2.600     0.800     0.800 peak   544 spectrum    1 weight  0.11000E+01 volume  0.34710E-02 ppm1      1.365 ppm2      1.607 CV     1
 ASSI {  545}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 24   and name HD1%)
      2.200     0.600     0.600 peak   545 spectrum    1 weight  0.11000E+01 volume  0.83223E-02 ppm1      1.365 ppm2      0.731 CV     1
 ASSI {  548}
   (( segid "    " and resid 24   and name HG  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.100     0.500     0.500 peak   548 spectrum    1 weight  0.11000E+01 volume  0.12177E-01 ppm1      1.607 ppm2      1.459 CV     1
 ASSI {  551}
   (( segid "    " and resid 24   and name HG  ))
   (  segid "    " and resid 24   and name HD1%)
      2.300     0.600     0.600 peak   551 spectrum    1 weight  0.11000E+01 volume  0.74843E-02 ppm1      1.607 ppm2      0.731 CV     1
 ASSI {  565}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   565 spectrum    1 weight  0.11000E+01 volume  0.11726E-02 ppm1      1.896 ppm2      4.790 CV     1
 ASSI {  568}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
      2.600     0.800     0.800 peak   568 spectrum    1 weight  0.11000E+01 volume  0.31431E-02 ppm1      1.896 ppm2      2.211 CV     1
 ASSI {  571}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak   571 spectrum    1 weight  0.11000E+01 volume  0.15902E-02 ppm1      1.772 ppm2      4.790 CV     1
 ASSI {  572}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.000     0.500     0.500 peak   572 spectrum    1 weight  0.11000E+01 volume  0.16666E-01 ppm1      1.772 ppm2      1.896 CV     1
 ASSI {  574}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HG2 ))
      2.700     0.900     0.900 peak   574 spectrum    1 weight  0.11000E+01 volume  0.23648E-02 ppm1      1.772 ppm2      2.211 CV     1
 ASSI {  575}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HG3 ))
      2.600     0.900     0.900 peak   575 spectrum    1 weight  0.11000E+01 volume  0.28451E-02 ppm1      1.772 ppm2      2.150 CV     1
 ASSI {  577}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.300     1.400     1.400 peak   577 spectrum    1 weight  0.11000E+01 volume  0.75207E-03 ppm1      2.211 ppm2      4.790 CV     1
 ASSI {  583}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.11000E+01 volume  0.93644E-03 ppm1      2.150 ppm2      4.790 CV     1
 ASSI {  584}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.300     0.600     0.600 peak   584 spectrum    1 weight  0.11000E+01 volume  0.72875E-02 ppm1      2.150 ppm2      1.896 CV     1
 ASSI {  586}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HG2 ))
      1.600     0.300     0.600 peak   586 spectrum    1 weight  0.11000E+01 volume  0.54255E-01 ppm1      2.150 ppm2      2.211 CV     1
 ASSI {  588}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     0.700     0.700 peak   588 spectrum    1 weight  0.11000E+01 volume  0.59298E-02 ppm1      4.387 ppm2      8.592 CV     1
 ASSI {  590}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      2.700     0.900     0.900 peak   590 spectrum    1 weight  0.11000E+01 volume  0.23947E-02 ppm1      4.387 ppm2      1.991 CV     1
 ASSI {  597}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      2.400     0.700     0.700 peak   597 spectrum    1 weight  0.11000E+01 volume  0.47558E-02 ppm1      1.991 ppm2      0.792 CV     1
 ASSI {  599}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak   599 spectrum    1 weight  0.11000E+01 volume  0.30396E-02 ppm1      0.890 ppm2      4.387 CV     1
 ASSI {  600}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HB  ))
      2.400     0.700     0.700 peak   600 spectrum    1 weight  0.11000E+01 volume  0.50145E-02 ppm1      0.890 ppm2      1.991 CV     1
 ASSI {  602}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 26   and name HG2%)
      1.900     0.500     0.500 peak   602 spectrum    1 weight  0.11000E+01 volume  0.19101E-01 ppm1      0.890 ppm2      0.792 CV     1
 ASSI {  604}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   604 spectrum    1 weight  0.11000E+01 volume  0.32182E-02 ppm1      0.792 ppm2      4.387 CV     1
 ASSI {  610}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.600     0.900     0.900 peak   610 spectrum    1 weight  0.11000E+01 volume  0.29084E-02 ppm1      4.962 ppm2      2.050 CV     1
 ASSI {  611}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.500     0.800     0.800 peak   611 spectrum    1 weight  0.11000E+01 volume  0.39534E-02 ppm1      4.962 ppm2      1.737 CV     1
 ASSI {  612}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.800     1.000     1.000 peak   612 spectrum    1 weight  0.11000E+01 volume  0.20114E-02 ppm1      4.962 ppm2      1.498 CV     1
 ASSI {  613}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD2 ))
      3.900     1.900     1.900 peak   613 spectrum    1 weight  0.11000E+01 volume  0.26949E-03 ppm1      4.962 ppm2      3.225 CV     1
 ASSI {  614}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD3 ))
      3.500     1.600     1.600 peak   614 spectrum    1 weight  0.11000E+01 volume  0.50466E-03 ppm1      4.962 ppm2      3.109 CV     1
 ASSI {  615}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   615 spectrum    1 weight  0.11000E+01 volume  0.18802E-02 ppm1      2.050 ppm2      8.584 CV     1
 ASSI {  618}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.000     0.500     0.500 peak   618 spectrum    1 weight  0.11000E+01 volume  0.17490E-01 ppm1      2.050 ppm2      1.737 CV     1
 ASSI {  631}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak   631 spectrum    1 weight  0.11000E+01 volume  0.24078E-02 ppm1      1.498 ppm2      2.050 CV     1
 ASSI {  632}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.100     0.500     0.500 peak   632 spectrum    1 weight  0.11000E+01 volume  0.11806E-01 ppm1      1.498 ppm2      1.737 CV     1
 ASSI {  638}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     1.100     1.100 peak   638 spectrum    1 weight  0.11000E+01 volume  0.15383E-02 ppm1      3.225 ppm2      2.050 CV     1
 ASSI {  639}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.400     0.700     0.700 peak   639 spectrum    1 weight  0.11000E+01 volume  0.50939E-02 ppm1      3.225 ppm2      1.737 CV     1
 ASSI {  640}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.800     1.000     1.000 peak   640 spectrum    1 weight  0.11000E+01 volume  0.21826E-02 ppm1      3.225 ppm2      1.498 CV     1
 ASSI {  642}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HD3 ))
      1.900     0.400     0.400 peak   642 spectrum    1 weight  0.11000E+01 volume  0.22948E-01 ppm1      3.225 ppm2      3.109 CV     1
 ASSI {  645}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   645 spectrum    1 weight  0.11000E+01 volume  0.13694E-02 ppm1      3.109 ppm2      2.050 CV     1
 ASSI {  646}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.600     0.900     0.900 peak   646 spectrum    1 weight  0.11000E+01 volume  0.30163E-02 ppm1      3.109 ppm2      1.737 CV     1
 ASSI {  647}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.800     1.000     1.000 peak   647 spectrum    1 weight  0.11000E+01 volume  0.18758E-02 ppm1      3.109 ppm2      1.498 CV     1
 ASSI {  650}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.100     1.100 peak   650 spectrum    1 weight  0.11000E+01 volume  0.15435E-02 ppm1      3.820 ppm2      9.295 CV     1
 ASSI {  652}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak   652 spectrum    1 weight  0.11000E+01 volume  0.57630E-02 ppm1      3.820 ppm2      1.948 CV     1
 ASSI {  654}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
      2.700     0.900     0.900 peak   654 spectrum    1 weight  0.11000E+01 volume  0.22818E-02 ppm1      3.820 ppm2      1.633 CV     1
 ASSI {  663}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.11000E+01 volume  0.11624E-02 ppm1      1.825 ppm2      3.820 CV     1
 ASSI {  664}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.000     0.500     0.500 peak   664 spectrum    1 weight  0.11000E+01 volume  0.13379E-01 ppm1      1.825 ppm2      1.948 CV     1
 ASSI {  666}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HG3 ))
      2.100     0.600     0.600 peak   666 spectrum    1 weight  0.11000E+01 volume  0.10334E-01 ppm1      1.825 ppm2      1.633 CV     1
 ASSI {  670}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak   670 spectrum    1 weight  0.11000E+01 volume  0.51005E-02 ppm1      1.633 ppm2      1.948 CV     1
 ASSI {  675}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.200     1.300     1.300 peak   675 spectrum    1 weight  0.11000E+01 volume  0.95539E-03 ppm1      3.344 ppm2      3.820 CV     1
 ASSI {  676}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak   676 spectrum    1 weight  0.11000E+01 volume  0.50080E-02 ppm1      3.344 ppm2      1.948 CV     1
 ASSI {  677}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG2 ))
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.11000E+01 volume  0.40044E-02 ppm1      3.344 ppm2      1.825 CV     1
 ASSI {  678}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG3 ))
      2.500     0.800     0.800 peak   678 spectrum    1 weight  0.11000E+01 volume  0.40373E-02 ppm1      3.344 ppm2      1.633 CV     1
 ASSI {  680}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak   680 spectrum    1 weight  0.11000E+01 volume  0.19458E-02 ppm1      4.459 ppm2      7.859 CV     1
 ASSI {  682}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak   682 spectrum    1 weight  0.11000E+01 volume  0.49147E-02 ppm1      4.459 ppm2      4.194 CV     1
 ASSI {  683}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.300     0.700     0.700 peak   683 spectrum    1 weight  0.11000E+01 volume  0.61922E-02 ppm1      4.459 ppm2      3.840 CV     1
 ASSI {  687}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      2.000     0.500     0.500 peak   687 spectrum    1 weight  0.11000E+01 volume  0.14072E-01 ppm1      4.194 ppm2      3.840 CV     1
 ASSI {  697}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   697 spectrum    1 weight  0.11000E+01 volume  0.20143E-02 ppm1      3.996 ppm2      4.658 CV     1
 ASSI {  699}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      2.000     0.500     0.500 peak   699 spectrum    1 weight  0.11000E+01 volume  0.17570E-01 ppm1      3.996 ppm2      3.908 CV     1
 ASSI {  700}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.000     1.000 peak   700 spectrum    1 weight  0.11000E+01 volume  0.17825E-02 ppm1      3.908 ppm2      7.833 CV     1
 ASSI {  701}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   701 spectrum    1 weight  0.11000E+01 volume  0.14408E-02 ppm1      3.908 ppm2      4.658 CV     1
 ASSI {  704}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.200     1.200 peak   704 spectrum    1 weight  0.11000E+01 volume  0.12302E-02 ppm1      5.184 ppm2      9.297 CV     1
 ASSI {  706}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak   706 spectrum    1 weight  0.11000E+01 volume  0.49547E-02 ppm1      5.184 ppm2      4.659 CV     1
 ASSI {  707}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.600     0.800     0.800 peak   707 spectrum    1 weight  0.11000E+01 volume  0.32320E-02 ppm1      5.184 ppm2      4.119 CV     1
 ASSI {  711}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.100     0.600     0.600 peak   711 spectrum    1 weight  0.11000E+01 volume  0.10611E-01 ppm1      4.659 ppm2      4.119 CV     1
 ASSI {  718}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB  ))
      2.800     0.900     0.900 peak   718 spectrum    1 weight  0.11000E+01 volume  0.22686E-02 ppm1      3.593 ppm2      2.197 CV     1
 ASSI {  719}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      2.400     0.700     0.700 peak   719 spectrum    1 weight  0.11000E+01 volume  0.47296E-02 ppm1      3.593 ppm2      1.090 CV     1
 ASSI {  720}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      2.500     0.800     0.800 peak   720 spectrum    1 weight  0.11000E+01 volume  0.40096E-02 ppm1      3.593 ppm2      0.769 CV     1
 ASSI {  725}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.400     0.700     0.700 peak   725 spectrum    1 weight  0.11000E+01 volume  0.49016E-02 ppm1      2.197 ppm2      0.769 CV     1
 ASSI {  728}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 32   and name HB  ))
      2.300     0.700     0.700 peak   728 spectrum    1 weight  0.11000E+01 volume  0.63794E-02 ppm1      1.090 ppm2      2.197 CV     1
 ASSI {  730}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 32   and name HG2%)
      2.200     0.600     0.600 peak   730 spectrum    1 weight  0.11000E+01 volume  0.86648E-02 ppm1      1.090 ppm2      0.769 CV     1
 ASSI {  731}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak   731 spectrum    1 weight  0.11000E+01 volume  0.21928E-02 ppm1      0.769 ppm2      8.622 CV     1
 ASSI {  736}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak   736 spectrum    1 weight  0.11000E+01 volume  0.18969E-02 ppm1      4.098 ppm2      8.581 CV     1
 ASSI {  738}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HB% )
      2.200     0.600     0.600 peak   738 spectrum    1 weight  0.11000E+01 volume  0.90729E-02 ppm1      4.098 ppm2      1.538 CV     1
 ASSI {  745}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.500     0.800     0.800 peak   745 spectrum    1 weight  0.11000E+01 volume  0.38733E-02 ppm1      4.136 ppm2      2.111 CV     1
 ASSI {  748}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   748 spectrum    1 weight  0.11000E+01 volume  0.15501E-02 ppm1      2.589 ppm2      4.136 CV     1
 ASSI {  751}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.000     0.500     0.500 peak   751 spectrum    1 weight  0.11000E+01 volume  0.13286E-01 ppm1      2.589 ppm2      2.563 CV     1
 ASSI {  754}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.100     0.600     0.600 peak   754 spectrum    1 weight  0.11000E+01 volume  0.10370E-01 ppm1      2.111 ppm2      2.589 CV     1
 ASSI {  758}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak   758 spectrum    1 weight  0.11000E+01 volume  0.42792E-02 ppm1      2.563 ppm2      4.136 CV     1
 ASSI {  760}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak   760 spectrum    1 weight  0.11000E+01 volume  0.57630E-02 ppm1      2.563 ppm2      2.111 CV     1
 ASSI {  764}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.11000E+01 volume  0.20434E-02 ppm1      3.896 ppm2      2.261 CV     1
 ASSI {  766}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      2.500     0.800     0.800 peak   766 spectrum    1 weight  0.11000E+01 volume  0.43848E-02 ppm1      3.896 ppm2      0.818 CV     1
 ASSI {  772}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
      2.400     0.700     0.700 peak   772 spectrum    1 weight  0.11000E+01 volume  0.47762E-02 ppm1      1.179 ppm2      8.013 CV     1
 ASSI {  773}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.600     0.600 peak   773 spectrum    1 weight  0.11000E+01 volume  0.71855E-02 ppm1      1.179 ppm2      3.896 CV     1
 ASSI {  774}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 35   and name HB  ))
      2.200     0.600     0.600 peak   774 spectrum    1 weight  0.11000E+01 volume  0.79507E-02 ppm1      1.179 ppm2      2.261 CV     1
 ASSI {  776}
   (  segid "    " and resid 35   and name HG1%)
   (  segid "    " and resid 35   and name HG2%)
      2.000     0.500     0.500 peak   776 spectrum    1 weight  0.11000E+01 volume  0.13824E-01 ppm1      1.179 ppm2      0.818 CV     1
 ASSI {  777}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak   777 spectrum    1 weight  0.11000E+01 volume  0.11740E-02 ppm1      0.818 ppm2      8.013 CV     1
 ASSI {  779}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HB  ))
      2.300     0.700     0.700 peak   779 spectrum    1 weight  0.11000E+01 volume  0.61827E-02 ppm1      0.818 ppm2      2.261 CV     1
 ASSI {  784}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak   784 spectrum    1 weight  0.11000E+01 volume  0.20376E-02 ppm1      4.440 ppm2      1.934 CV     1
 ASSI {  785}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.700     0.900     0.900 peak   785 spectrum    1 weight  0.11000E+01 volume  0.25667E-02 ppm1      4.440 ppm2      1.592 CV     1
 ASSI {  786}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.100     1.200     1.200 peak   786 spectrum    1 weight  0.11000E+01 volume  0.11529E-02 ppm1      4.440 ppm2      1.711 CV     1
 ASSI {  787}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG3 ))
      2.700     0.900     0.900 peak   787 spectrum    1 weight  0.11000E+01 volume  0.25667E-02 ppm1      4.440 ppm2      1.573 CV     1
 ASSI {  788}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HD2 ))
      2.700     0.900     0.900 peak   788 spectrum    1 weight  0.11000E+01 volume  0.25105E-02 ppm1      4.440 ppm2      1.666 CV     1
 ASSI {  789}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HD3 ))
      2.700     0.900     0.900 peak   789 spectrum    1 weight  0.11000E+01 volume  0.26264E-02 ppm1      4.440 ppm2      1.472 CV     1
 ASSI {  790}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HE2 ))
      3.600     1.600     1.600 peak   790 spectrum    1 weight  0.11000E+01 volume  0.47951E-03 ppm1      4.440 ppm2      2.841 CV     1
 ASSI {  795}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      2.300     0.700     0.700 peak   795 spectrum    1 weight  0.11000E+01 volume  0.59765E-02 ppm1      1.934 ppm2      1.592 CV     1
 ASSI {  796}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.500     0.800     0.800 peak   796 spectrum    1 weight  0.11000E+01 volume  0.43980E-02 ppm1      1.934 ppm2      1.711 CV     1
 ASSI {  797}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.300     0.700     0.700 peak   797 spectrum    1 weight  0.11000E+01 volume  0.59765E-02 ppm1      1.934 ppm2      1.573 CV     1
 ASSI {  799}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HD3 ))
      2.700     0.900     0.900 peak   799 spectrum    1 weight  0.11000E+01 volume  0.25834E-02 ppm1      1.934 ppm2      1.472 CV     1
 ASSI {  801}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HE3 ))
      3.600     1.600     1.600 peak   801 spectrum    1 weight  0.11000E+01 volume  0.43266E-03 ppm1      1.934 ppm2      2.573 CV     1
 ASSI {  806}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.400     0.700     0.700 peak   806 spectrum    1 weight  0.11000E+01 volume  0.52135E-02 ppm1      1.592 ppm2      1.711 CV     1
 ASSI {  807}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.000     0.500     0.500 peak   807 spectrum    1 weight  0.11000E+01 volume  0.16054E-01 ppm1      1.592 ppm2      1.573 CV     1
 ASSI {  808}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.100     2.100     3.900 peak   808 spectrum    1 weight  0.11000E+01 volume  0.10706E-01 ppm1      1.592 ppm2      1.666 CV     1
 ASSI {  817}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.100     0.600     0.600 peak   817 spectrum    1 weight  0.11000E+01 volume  0.99912E-02 ppm1      1.711 ppm2      1.573 CV     1
 ASSI {  818}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HD2 ))
      1.700     0.300     0.500 peak   818 spectrum    1 weight  0.11000E+01 volume  0.45999E-01 ppm1      1.711 ppm2      1.666 CV     1
 ASSI {  819}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HD3 ))
      2.400     0.700     0.700 peak   819 spectrum    1 weight  0.11000E+01 volume  0.49286E-02 ppm1      1.711 ppm2      1.472 CV     1
 ASSI {  822}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak   822 spectrum    1 weight  0.11000E+01 volume  0.39403E-03 ppm1      1.573 ppm2      9.066 CV     1
 ASSI {  828}
   (( segid "    " and resid 36   and name HG3 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.200     2.200     3.800 peak   828 spectrum    1 weight  0.11000E+01 volume  0.93791E-02 ppm1      1.573 ppm2      1.666 CV     1
 ASSI {  834}
   (( segid "    " and resid 36   and name HD2 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak   834 spectrum    1 weight  0.11000E+01 volume  0.22387E-02 ppm1      1.666 ppm2      1.934 CV     1
 ASSI {  845}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HB3 ))
      2.100     0.500     0.500 peak   845 spectrum    1 weight  0.11000E+01 volume  0.11878E-01 ppm1      1.472 ppm2      1.592 CV     1
 ASSI {  847}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.100     0.500     0.500 peak   847 spectrum    1 weight  0.11000E+01 volume  0.11878E-01 ppm1      1.472 ppm2      1.573 CV     1
 ASSI {  848}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.200     0.600     0.600 peak   848 spectrum    1 weight  0.11000E+01 volume  0.88470E-02 ppm1      1.472 ppm2      1.666 CV     1
 ASSI {  854}
   (( segid "    " and resid 36   and name HE2 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.400     1.400 peak   854 spectrum    1 weight  0.11000E+01 volume  0.75645E-03 ppm1      2.841 ppm2      1.934 CV     1
 ASSI {  855}
   (( segid "    " and resid 36   and name HE2 ))
   (( segid "    " and resid 36   and name HB3 ))
      2.900     1.000     1.000 peak   855 spectrum    1 weight  0.11000E+01 volume  0.18335E-02 ppm1      2.841 ppm2      1.592 CV     1
 ASSI {  856}
   (( segid "    " and resid 36   and name HE2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.900     1.000     1.000 peak   856 spectrum    1 weight  0.11000E+01 volume  0.17847E-02 ppm1      2.841 ppm2      1.711 CV     1
 ASSI {  857}
   (( segid "    " and resid 36   and name HE2 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.900     1.000     1.000 peak   857 spectrum    1 weight  0.11000E+01 volume  0.18335E-02 ppm1      2.841 ppm2      1.573 CV     1
 ASSI {  858}
   (( segid "    " and resid 36   and name HE2 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.800     1.000     1.000 peak   858 spectrum    1 weight  0.11000E+01 volume  0.19953E-02 ppm1      2.841 ppm2      1.666 CV     1
 ASSI {  859}
   (( segid "    " and resid 36   and name HE2 ))
   (( segid "    " and resid 36   and name HD3 ))
      3.000     1.100     1.100 peak   859 spectrum    1 weight  0.11000E+01 volume  0.14043E-02 ppm1      2.841 ppm2      1.472 CV     1
 ASSI {  863}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 36   and name HA  ))
      4.500     2.500     1.500 peak   863 spectrum    1 weight  0.11000E+01 volume  0.12615E-03 ppm1      2.573 ppm2      4.440 CV     1
 ASSI {  865}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 36   and name HB3 ))
      2.900     2.900     3.100 peak   865 spectrum    1 weight  0.11000E+01 volume  0.14961E-02 ppm1      2.573 ppm2      1.592 CV     1
 ASSI {  866}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.800     1.000     1.000 peak   866 spectrum    1 weight  0.11000E+01 volume  0.19319E-02 ppm1      2.573 ppm2      1.711 CV     1
 ASSI {  867}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 36   and name HG3 ))
      2.900     1.100     1.100 peak   867 spectrum    1 weight  0.11000E+01 volume  0.14961E-02 ppm1      2.573 ppm2      1.573 CV     1
 ASSI {  868}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 36   and name HD2 ))
      2.800     1.000     1.000 peak   868 spectrum    1 weight  0.11000E+01 volume  0.19625E-02 ppm1      2.573 ppm2      1.666 CV     1
 ASSI {  869}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 36   and name HD3 ))
      3.000     1.100     1.100 peak   869 spectrum    1 weight  0.11000E+01 volume  0.13445E-02 ppm1      2.573 ppm2      1.472 CV     1
 ASSI {  870}
   (( segid "    " and resid 36   and name HE3 ))
   (( segid "    " and resid 36   and name HE2 ))
      2.100     0.500     0.500 peak   870 spectrum    1 weight  0.11000E+01 volume  0.13249E-01 ppm1      2.573 ppm2      2.841 CV     1
 ASSI {  874}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HB% )
      2.200     0.600     0.600 peak   874 spectrum    1 weight  0.11000E+01 volume  0.89709E-02 ppm1      4.343 ppm2      1.621 CV     1
 ASSI {  880}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.900     1.000     1.000 peak   880 spectrum    1 weight  0.11000E+01 volume  0.16813E-02 ppm1      4.246 ppm2      2.549 CV     1
 ASSI {  881}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.500     0.800     0.800 peak   881 spectrum    1 weight  0.11000E+01 volume  0.37705E-02 ppm1      4.246 ppm2      2.140 CV     1
 ASSI {  882}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.000     1.100     1.100 peak   882 spectrum    1 weight  0.11000E+01 volume  0.13963E-02 ppm1      4.246 ppm2      2.988 CV     1
 ASSI {  883}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG3 ))
      2.800     1.000     1.000 peak   883 spectrum    1 weight  0.11000E+01 volume  0.18802E-02 ppm1      4.246 ppm2      2.703 CV     1
 ASSI {  887}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB3 ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.11000E+01 volume  0.49286E-02 ppm1      2.549 ppm2      2.140 CV     1
 ASSI {  888}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG2 ))
      2.900     1.000     1.000 peak   888 spectrum    1 weight  0.11000E+01 volume  0.17257E-02 ppm1      2.549 ppm2      2.988 CV     1
 ASSI {  894}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HG2 ))
      3.100     1.200     1.200 peak   894 spectrum    1 weight  0.11000E+01 volume  0.11427E-02 ppm1      2.140 ppm2      2.988 CV     1
 ASSI {  895}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HG3 ))
      2.700     0.900     0.900 peak   895 spectrum    1 weight  0.11000E+01 volume  0.26760E-02 ppm1      2.140 ppm2      2.703 CV     1
 ASSI {  901}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HG3 ))
      2.300     0.600     0.600 peak   901 spectrum    1 weight  0.11000E+01 volume  0.75062E-02 ppm1      2.988 ppm2      2.703 CV     1
 ASSI {  904}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.200     0.600     0.600 peak   904 spectrum    1 weight  0.11000E+01 volume  0.85701E-02 ppm1      2.703 ppm2      2.549 CV     1
 ASSI {  910}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
      3.100     1.200     1.200 peak   910 spectrum    1 weight  0.11000E+01 volume  0.10137E-02 ppm1      3.335 ppm2      2.285 CV     1
 ASSI {  911}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      2.300     0.600     0.600 peak   911 spectrum    1 weight  0.11000E+01 volume  0.70819E-02 ppm1      3.335 ppm2      0.749 CV     1
 ASSI {  912}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG12))
      2.800     1.000     1.000 peak   912 spectrum    1 weight  0.11000E+01 volume  0.19552E-02 ppm1      3.335 ppm2      1.999 CV     1
 ASSI {  914}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD1%)
      2.200     0.600     0.600 peak   914 spectrum    1 weight  0.11000E+01 volume  0.89126E-02 ppm1      3.335 ppm2      0.758 CV     1
 ASSI {  918}
   (( segid "    " and resid 39   and name HB  ))
   (  segid "    " and resid 39   and name HG2%)
      2.400     0.700     0.700 peak   918 spectrum    1 weight  0.11000E+01 volume  0.54452E-02 ppm1      2.285 ppm2      0.749 CV     1
 ASSI {  919}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HG12))
      2.400     0.700     0.700 peak   919 spectrum    1 weight  0.11000E+01 volume  0.46035E-02 ppm1      2.285 ppm2      1.999 CV     1
 ASSI {  920}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HG13))
      2.600     0.900     0.900 peak   920 spectrum    1 weight  0.11000E+01 volume  0.29274E-02 ppm1      2.285 ppm2      0.816 CV     1
 ASSI {  926}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 39   and name HG12))
      2.800     1.000     1.000 peak   926 spectrum    1 weight  0.11000E+01 volume  0.19574E-02 ppm1      0.749 ppm2      1.999 CV     1
 ASSI {  927}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 39   and name HG13))
      1.800     0.400     0.400 peak   927 spectrum    1 weight  0.11000E+01 volume  0.29303E-01 ppm1      0.749 ppm2      0.816 CV     1
 ASSI {  928}
   (  segid "    " and resid 39   and name HG2%)
   (  segid "    " and resid 39   and name HD1%)
      1.500     0.300     0.700 peak   928 spectrum    1 weight  0.11000E+01 volume  0.10509E+00 ppm1      0.749 ppm2      0.758 CV     1
 ASSI {  934}
   (( segid "    " and resid 39   and name HG12))
   (( segid "    " and resid 39   and name HG13))
      2.300     0.600     0.600 peak   934 spectrum    1 weight  0.11000E+01 volume  0.71381E-02 ppm1      1.999 ppm2      0.816 CV     1
 ASSI {  935}
   (( segid "    " and resid 39   and name HG12))
   (  segid "    " and resid 39   and name HD1%)
      2.200     0.600     0.600 peak   935 spectrum    1 weight  0.11000E+01 volume  0.83879E-02 ppm1      1.999 ppm2      0.758 CV     1
 ASSI {  937}
   (( segid "    " and resid 39   and name HG13))
   (( segid "    " and resid 39   and name HA  ))
      3.200     1.300     1.300 peak   937 spectrum    1 weight  0.11000E+01 volume  0.97799E-03 ppm1      0.816 ppm2      3.335 CV     1
 ASSI {  945}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HB  ))
      2.700     0.900     0.900 peak   945 spectrum    1 weight  0.11000E+01 volume  0.27357E-02 ppm1      0.758 ppm2      2.285 CV     1
 ASSI {  948}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 39   and name HG13))
      1.600     0.300     0.600 peak   948 spectrum    1 weight  0.11000E+01 volume  0.57557E-01 ppm1      0.758 ppm2      0.816 CV     1
 ASSI {  952}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.100     1.100 peak   952 spectrum    1 weight  0.11000E+01 volume  0.15763E-02 ppm1      3.964 ppm2      2.394 CV     1
 ASSI {  953}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      2.600     0.900     0.900 peak   953 spectrum    1 weight  0.11000E+01 volume  0.31242E-02 ppm1      3.964 ppm2      1.877 CV     1
 ASSI {  954}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG2 ))
      2.900     1.000     1.000 peak   954 spectrum    1 weight  0.11000E+01 volume  0.18080E-02 ppm1      3.964 ppm2      2.023 CV     1
 ASSI {  955}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG3 ))
      2.600     0.800     0.800 peak   955 spectrum    1 weight  0.11000E+01 volume  0.32269E-02 ppm1      3.964 ppm2      1.942 CV     1
 ASSI {  959}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
      2.500     0.800     0.800 peak   959 spectrum    1 weight  0.11000E+01 volume  0.45110E-02 ppm1      2.394 ppm2      1.877 CV     1
 ASSI {  961}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG3 ))
      2.600     0.900     0.900 peak   961 spectrum    1 weight  0.11000E+01 volume  0.30913E-02 ppm1      2.394 ppm2      1.942 CV     1
 ASSI {  966}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.400     0.700     0.700 peak   966 spectrum    1 weight  0.11000E+01 volume  0.50539E-02 ppm1      1.877 ppm2      2.023 CV     1
 ASSI {  970}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak   970 spectrum    1 weight  0.11000E+01 volume  0.27656E-02 ppm1      2.023 ppm2      2.394 CV     1
 ASSI {  973}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HG3 ))
      2.100     0.500     0.500 peak   973 spectrum    1 weight  0.11000E+01 volume  0.13227E-01 ppm1      2.023 ppm2      1.942 CV     1
 ASSI {  974}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak   974 spectrum    1 weight  0.11000E+01 volume  0.51829E-03 ppm1      1.942 ppm2      8.519 CV     1
 ASSI {  977}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 40   and name HB3 ))
      2.200     0.600     0.600 peak   977 spectrum    1 weight  0.11000E+01 volume  0.81037E-02 ppm1      1.942 ppm2      1.877 CV     1
 ASSI {  980}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   980 spectrum    1 weight  0.11000E+01 volume  0.25003E-02 ppm1      4.032 ppm2      7.971 CV     1
 ASSI {  982}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      2.500     0.800     0.800 peak   982 spectrum    1 weight  0.11000E+01 volume  0.40934E-02 ppm1      4.029 ppm2      4.347 CV     1
 ASSI {  983}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HG2%)
      2.400     0.700     0.700 peak   983 spectrum    1 weight  0.11000E+01 volume  0.46101E-02 ppm1      4.029 ppm2      1.369 CV     1
 ASSI {  988}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   988 spectrum    1 weight  0.11000E+01 volume  0.24180E-02 ppm1      1.379 ppm2      7.971 CV     1
 ASSI {  990}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HB  ))
      2.200     0.600     0.600 peak   990 spectrum    1 weight  0.11000E+01 volume  0.79288E-02 ppm1      1.369 ppm2      4.347 CV     1
 ASSI {  994}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.400     0.700     0.700 peak   994 spectrum    1 weight  0.11000E+01 volume  0.57630E-02 ppm1      4.257 ppm2      1.581 CV     1
 ASSI {  995}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.600     2.600     3.400 peak   995 spectrum    1 weight  0.11000E+01 volume  0.31613E-02 ppm1      4.257 ppm2      1.315 CV     1
 ASSI {  996}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      2.400     0.700     0.700 peak   996 spectrum    1 weight  0.11000E+01 volume  0.57163E-02 ppm1      4.257 ppm2      1.616 CV     1
 ASSI {  997}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD2 ))
      2.600     0.800     0.800 peak   997 spectrum    1 weight  0.11000E+01 volume  0.34565E-02 ppm1      4.257 ppm2      1.492 CV     1
 ASSI {  998}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HD3 ))
      3.300     1.300     1.300 peak   998 spectrum    1 weight  0.11000E+01 volume  0.79507E-03 ppm1      4.257 ppm2      1.150 CV     1
 ASSI { 1003}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB3 ))
      2.300     2.300     3.700 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.64072E-02 ppm1      1.581 ppm2      1.315 CV     1
 ASSI { 1004}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.000     2.000     4.000 peak  1004 spectrum    1 weight  0.11000E+01 volume  0.16987E-01 ppm1      1.581 ppm2      1.616 CV     1
 ASSI { 1012}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.300     2.300     3.700 peak  1012 spectrum    1 weight  0.11000E+01 volume  0.63329E-02 ppm1      1.315 ppm2      1.616 CV     1
 ASSI { 1013}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HD2 ))
      2.400     2.400     3.600 peak  1013 spectrum    1 weight  0.11000E+01 volume  0.53920E-02 ppm1      1.315 ppm2      1.492 CV     1
 ASSI { 1015}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HE2 ))
      3.900     3.900     2.100 peak  1015 spectrum    1 weight  0.11000E+01 volume  0.26366E-03 ppm1      1.315 ppm2      3.041 CV     1
 ASSI { 1026}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HB2 ))
      1.900     0.400     0.400 peak  1026 spectrum    1 weight  0.11000E+01 volume  0.22628E-01 ppm1      1.492 ppm2      1.581 CV     1
 ASSI { 1028}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.000     0.500     0.500 peak  1028 spectrum    1 weight  0.11000E+01 volume  0.17301E-01 ppm1      1.492 ppm2      1.616 CV     1
 ASSI { 1034}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.400     0.700     0.700 peak  1034 spectrum    1 weight  0.11000E+01 volume  0.53985E-02 ppm1      1.150 ppm2      1.581 CV     1
 ASSI { 1036}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.500     0.800     0.800 peak  1036 spectrum    1 weight  0.11000E+01 volume  0.37800E-02 ppm1      1.150 ppm2      1.616 CV     1
 ASSI { 1037}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HD2 ))
      2.200     0.600     0.600 peak  1037 spectrum    1 weight  0.11000E+01 volume  0.76737E-02 ppm1      1.150 ppm2      1.492 CV     1
 ASSI { 1039}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 42   and name HE2 ))
      3.200     1.200     1.200 peak  1039 spectrum    1 weight  0.11000E+01 volume  0.10049E-02 ppm1      1.150 ppm2      3.041 CV     1
 ASSI { 1040}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak  1040 spectrum    1 weight  0.11000E+01 volume  0.26082E-03 ppm1      3.041 ppm2      7.266 CV     1
 ASSI { 1041}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.800     1.800     1.800 peak  1041 spectrum    1 weight  0.11000E+01 volume  0.32452E-03 ppm1      3.041 ppm2      4.257 CV     1
 ASSI { 1042}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.500     2.500     3.500 peak  1042 spectrum    1 weight  0.11000E+01 volume  0.38223E-02 ppm1      3.041 ppm2      1.581 CV     1
 ASSI { 1044}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.600     0.800     0.800 peak  1044 spectrum    1 weight  0.11000E+01 volume  0.35737E-02 ppm1      3.041 ppm2      1.616 CV     1
 ASSI { 1045}
   (( segid "    " and resid 42   and name HE2 ))
   (( segid "    " and resid 42   and name HD2 ))
      2.600     0.800     0.800 peak  1045 spectrum    1 weight  0.11000E+01 volume  0.31337E-02 ppm1      3.041 ppm2      1.492 CV     1
 ASSI { 1048}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  1048 spectrum    1 weight  0.11000E+01 volume  0.24049E-02 ppm1      4.577 ppm2      7.833 CV     1
 ASSI { 1050}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      2.400     0.700     0.700 peak  1050 spectrum    1 weight  0.11000E+01 volume  0.46567E-02 ppm1      4.573 ppm2      4.158 CV     1
 ASSI { 1051}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      2.300     0.600     0.600 peak  1051 spectrum    1 weight  0.11000E+01 volume  0.70259E-02 ppm1      4.573 ppm2      0.907 CV     1
 ASSI { 1055}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG2%)
      2.300     0.700     0.700 peak  1055 spectrum    1 weight  0.11000E+01 volume  0.60326E-02 ppm1      4.158 ppm2      0.907 CV     1
 ASSI { 1064}
   (( segid "    " and resid 44   and name HA2 ))
   (( segid "    " and resid 44   and name HA1 ))
      2.100     0.500     0.500 peak  1064 spectrum    1 weight  0.11000E+01 volume  0.11690E-01 ppm1      3.840 ppm2      4.273 CV     1
 ASSI { 1068}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      2.900     1.100     1.100 peak  1068 spectrum    1 weight  0.11000E+01 volume  0.15383E-02 ppm1      4.082 ppm2      1.612 CV     1
 ASSI { 1070}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG12))
      2.800     1.000     1.000 peak  1070 spectrum    1 weight  0.11000E+01 volume  0.19625E-02 ppm1      4.082 ppm2      1.403 CV     1
 ASSI { 1071}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG13))
      2.900     1.000     1.000 peak  1071 spectrum    1 weight  0.11000E+01 volume  0.17869E-02 ppm1      4.082 ppm2      1.029 CV     1
 ASSI { 1072}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      2.700     0.900     0.900 peak  1072 spectrum    1 weight  0.11000E+01 volume  0.25499E-02 ppm1      4.082 ppm2      0.821 CV     1
 ASSI { 1076}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HG2%)
      2.400     0.700     0.700 peak  1076 spectrum    1 weight  0.11000E+01 volume  0.45838E-02 ppm1      1.612 ppm2      0.874 CV     1
 ASSI { 1079}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      2.600     0.800     0.800 peak  1079 spectrum    1 weight  0.11000E+01 volume  0.35039E-02 ppm1      1.612 ppm2      0.821 CV     1
 ASSI { 1081}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak  1081 spectrum    1 weight  0.11000E+01 volume  0.56565E-02 ppm1      0.874 ppm2      4.082 CV     1
 ASSI { 1085}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HG13))
      2.400     0.700     0.700 peak  1085 spectrum    1 weight  0.11000E+01 volume  0.55640E-02 ppm1      0.874 ppm2      1.029 CV     1
 ASSI { 1086}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      1.600     0.300     0.600 peak  1086 spectrum    1 weight  0.11000E+01 volume  0.55604E-01 ppm1      0.874 ppm2      0.821 CV     1
 ASSI { 1089}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 45   and name HB  ))
      2.400     0.700     0.700 peak  1089 spectrum    1 weight  0.11000E+01 volume  0.51333E-02 ppm1      1.403 ppm2      1.612 CV     1
 ASSI { 1090}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 45   and name HG2%)
      2.400     0.700     0.700 peak  1090 spectrum    1 weight  0.11000E+01 volume  0.49679E-02 ppm1      1.403 ppm2      0.874 CV     1
 ASSI { 1092}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 45   and name HG13))
      2.100     0.600     0.600 peak  1092 spectrum    1 weight  0.11000E+01 volume  0.10173E-01 ppm1      1.403 ppm2      1.029 CV     1
 ASSI { 1094}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak  1094 spectrum    1 weight  0.11000E+01 volume  0.96705E-03 ppm1      1.029 ppm2      7.727 CV     1
 ASSI { 1096}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 45   and name HB  ))
      2.500     0.800     0.800 peak  1096 spectrum    1 weight  0.11000E+01 volume  0.42661E-02 ppm1      1.029 ppm2      1.612 CV     1
 ASSI { 1100}
   (( segid "    " and resid 45   and name HG13))
   (  segid "    " and resid 45   and name HD1%)
      2.200     0.600     0.600 peak  1100 spectrum    1 weight  0.11000E+01 volume  0.81475E-02 ppm1      1.029 ppm2      0.821 CV     1
 ASSI { 1105}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG12))
      2.300     0.600     0.600 peak  1105 spectrum    1 weight  0.11000E+01 volume  0.70449E-02 ppm1      0.821 ppm2      1.403 CV     1
 ASSI { 1110}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
      2.800     1.000     1.000 peak  1110 spectrum    1 weight  0.11000E+01 volume  0.20835E-02 ppm1      4.363 ppm2      2.149 CV     1
 ASSI { 1112}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG12))
      3.800     1.800     1.800 peak  1112 spectrum    1 weight  0.11000E+01 volume  0.33114E-03 ppm1      4.363 ppm2      1.518 CV     1
 ASSI { 1113}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HD1%)
      3.100     1.200     1.200 peak  1113 spectrum    1 weight  0.11000E+01 volume  0.11806E-02 ppm1      4.363 ppm2      0.981 CV     1
 ASSI { 1118}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HG12))
      3.000     1.100     1.100 peak  1118 spectrum    1 weight  0.11000E+01 volume  0.13460E-02 ppm1      2.149 ppm2      1.518 CV     1
 ASSI { 1121}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak  1121 spectrum    1 weight  0.11000E+01 volume  0.41932E-02 ppm1      1.148 ppm2      4.363 CV     1
 ASSI { 1122}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
      2.300     0.600     0.600 peak  1122 spectrum    1 weight  0.11000E+01 volume  0.75134E-02 ppm1      1.148 ppm2      2.149 CV     1
 ASSI { 1124}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HG12))
      2.800     1.000     1.000 peak  1124 spectrum    1 weight  0.11000E+01 volume  0.20733E-02 ppm1      1.148 ppm2      1.518 CV     1
 ASSI { 1125}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 46   and name HD1%)
      2.200     0.600     0.600 peak  1125 spectrum    1 weight  0.11000E+01 volume  0.94883E-02 ppm1      1.148 ppm2      0.981 CV     1
 ASSI { 1131}
   (( segid "    " and resid 46   and name HG12))
   (  segid "    " and resid 46   and name HD1%)
      2.200     0.600     0.600 peak  1131 spectrum    1 weight  0.11000E+01 volume  0.87304E-02 ppm1      1.518 ppm2      0.981 CV     1
 ASSI { 1134}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 46   and name HB  ))
      2.400     0.700     0.700 peak  1134 spectrum    1 weight  0.11000E+01 volume  0.47099E-02 ppm1      0.981 ppm2      2.149 CV     1
 ASSI { 1138}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.400     2.400     3.600 peak  1138 spectrum    1 weight  0.11000E+01 volume  0.45970E-02 ppm1      3.969 ppm2      4.045 CV     1
 ASSI { 1139}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.900     1.100     1.100 peak  1139 spectrum    1 weight  0.11000E+01 volume  0.15712E-02 ppm1      3.969 ppm2      2.255 CV     1
 ASSI { 1140}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HB3 ))
      3.100     1.200     1.200 peak  1140 spectrum    1 weight  0.11000E+01 volume  0.11076E-02 ppm1      3.969 ppm2      2.023 CV     1
 ASSI { 1141}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.800     1.000     1.000 peak  1141 spectrum    1 weight  0.11000E+01 volume  0.19370E-02 ppm1      3.969 ppm2      2.243 CV     1
 ASSI { 1142}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.900     1.000     1.000 peak  1142 spectrum    1 weight  0.11000E+01 volume  0.18146E-02 ppm1      3.969 ppm2      1.649 CV     1
 ASSI { 1144}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HD3 ))
      2.300     0.700     0.700 peak  1144 spectrum    1 weight  0.11000E+01 volume  0.63416E-02 ppm1      3.969 ppm2      3.733 CV     1
 ASSI { 1146}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak  1146 spectrum    1 weight  0.11000E+01 volume  0.21592E-02 ppm1      3.733 ppm2      2.255 CV     1
 ASSI { 1147}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 47   and name HB3 ))
      3.100     1.200     1.200 peak  1147 spectrum    1 weight  0.11000E+01 volume  0.11361E-02 ppm1      3.733 ppm2      2.023 CV     1
 ASSI { 1148}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak  1148 spectrum    1 weight  0.11000E+01 volume  0.25899E-02 ppm1      3.733 ppm2      2.243 CV     1
 ASSI { 1149}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.900     1.000     1.000 peak  1149 spectrum    1 weight  0.11000E+01 volume  0.17614E-02 ppm1      3.733 ppm2      1.649 CV     1
 ASSI { 1153}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.600     0.900     0.900 peak  1153 spectrum    1 weight  0.11000E+01 volume  0.30586E-02 ppm1      4.045 ppm2      2.255 CV     1
 ASSI { 1154}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.700     0.900     0.900 peak  1154 spectrum    1 weight  0.11000E+01 volume  0.24908E-02 ppm1      4.045 ppm2      2.023 CV     1
 ASSI { 1155}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      2.600     0.800     0.800 peak  1155 spectrum    1 weight  0.11000E+01 volume  0.35366E-02 ppm1      4.045 ppm2      2.243 CV     1
 ASSI { 1158}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HD3 ))
      4.000     2.000     2.000 peak  1158 spectrum    1 weight  0.11000E+01 volume  0.24850E-03 ppm1      4.045 ppm2      3.733 CV     1
 ASSI { 1161}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
      2.200     0.600     0.600 peak  1161 spectrum    1 weight  0.11000E+01 volume  0.78413E-02 ppm1      2.255 ppm2      2.023 CV     1
 ASSI { 1170}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.500     0.800     0.800 peak  1170 spectrum    1 weight  0.11000E+01 volume  0.37750E-02 ppm1      2.023 ppm2      1.649 CV     1
 ASSI { 1174}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.000     0.500     0.500 peak  1174 spectrum    1 weight  0.11000E+01 volume  0.15383E-01 ppm1      2.243 ppm2      2.255 CV     1
 ASSI { 1175}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HB3 ))
      2.700     0.900     0.900 peak  1175 spectrum    1 weight  0.11000E+01 volume  0.25638E-02 ppm1      2.243 ppm2      2.023 CV     1
 ASSI { 1177}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.200     0.600     0.600 peak  1177 spectrum    1 weight  0.11000E+01 volume  0.80964E-02 ppm1      2.243 ppm2      1.649 CV     1
 ASSI { 1180}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak  1180 spectrum    1 weight  0.11000E+01 volume  0.11842E-02 ppm1      1.649 ppm2      4.045 CV     1
 ASSI { 1181}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.300     0.700     0.700 peak  1181 spectrum    1 weight  0.11000E+01 volume  0.66040E-02 ppm1      1.649 ppm2      2.255 CV     1
 ASSI { 1189}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.500     0.800     0.800 peak  1189 spectrum    1 weight  0.11000E+01 volume  0.44118E-02 ppm1      4.217 ppm2      2.128 CV     1
 ASSI { 1190}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      2.400     0.700     0.700 peak  1190 spectrum    1 weight  0.11000E+01 volume  0.52922E-02 ppm1      4.217 ppm2      2.042 CV     1
 ASSI { 1191}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
      2.900     1.100     1.100 peak  1191 spectrum    1 weight  0.11000E+01 volume  0.15690E-02 ppm1      4.217 ppm2      2.374 CV     1
 ASSI { 1192}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG3 ))
      2.700     2.700     3.300 peak  1192 spectrum    1 weight  0.11000E+01 volume  0.25499E-02 ppm1      4.217 ppm2      2.292 CV     1
 ASSI { 1197}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
      2.200     0.600     0.600 peak  1197 spectrum    1 weight  0.11000E+01 volume  0.77393E-02 ppm1      2.128 ppm2      2.374 CV     1
 ASSI { 1198}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG3 ))
      2.100     2.100     3.900 peak  1198 spectrum    1 weight  0.11000E+01 volume  0.10706E-01 ppm1      2.128 ppm2      2.292 CV     1
 ASSI { 1201}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
      1.800     0.400     0.400 peak  1201 spectrum    1 weight  0.11000E+01 volume  0.25557E-01 ppm1      2.042 ppm2      2.128 CV     1
 ASSI { 1203}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HG2 ))
      2.400     0.700     0.700 peak  1203 spectrum    1 weight  0.11000E+01 volume  0.45641E-02 ppm1      2.042 ppm2      2.374 CV     1
 ASSI { 1210}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HG3 ))
      1.600     0.300     0.600 peak  1210 spectrum    1 weight  0.11000E+01 volume  0.67190E-01 ppm1      2.374 ppm2      2.292 CV     1
 ASSI { 1214}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HB3 ))
      2.100     0.600     0.600 peak  1214 spectrum    1 weight  0.11000E+01 volume  0.11384E-01 ppm1      2.292 ppm2      2.042 CV     1
 ASSI { 1219}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB  ))
      2.400     0.700     0.700 peak  1219 spectrum    1 weight  0.11000E+01 volume  0.47558E-02 ppm1      4.456 ppm2      4.310 CV     1
 ASSI { 1220}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
      2.500     0.800     0.800 peak  1220 spectrum    1 weight  0.11000E+01 volume  0.37188E-02 ppm1      4.456 ppm2      1.254 CV     1
 ASSI { 1227}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HB  ))
      2.300     0.700     0.700 peak  1227 spectrum    1 weight  0.11000E+01 volume  0.67541E-02 ppm1      1.254 ppm2      4.310 CV     1
 ASSI { 1231}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.000     1.100     1.100 peak  1231 spectrum    1 weight  0.11000E+01 volume  0.13081E-02 ppm1      4.051 ppm2      1.976 CV     1
 ASSI { 1232}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.900     1.000     1.000 peak  1232 spectrum    1 weight  0.11000E+01 volume  0.18219E-02 ppm1      4.051 ppm2      1.861 CV     1
 ASSI { 1234}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG3 ))
      2.800     1.000     1.000 peak  1234 spectrum    1 weight  0.11000E+01 volume  0.19254E-02 ppm1      4.051 ppm2      1.746 CV     1
 ASSI { 1239}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HG2 ))
      3.200     1.300     1.300 peak  1239 spectrum    1 weight  0.11000E+01 volume  0.94227E-03 ppm1      1.976 ppm2      2.586 CV     1
 ASSI { 1241}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak  1241 spectrum    1 weight  0.11000E+01 volume  0.11543E-02 ppm1      1.861 ppm2      7.320 CV     1
 ASSI { 1243}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.200     0.600     0.600 peak  1243 spectrum    1 weight  0.11000E+01 volume  0.80527E-02 ppm1      1.861 ppm2      1.976 CV     1
 ASSI { 1245}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HG2 ))
      3.200     1.200     1.200 peak  1245 spectrum    1 weight  0.11000E+01 volume  0.99984E-03 ppm1      1.861 ppm2      2.586 CV     1
 ASSI { 1246}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HG3 ))
      2.300     0.700     0.700 peak  1246 spectrum    1 weight  0.11000E+01 volume  0.67351E-02 ppm1      1.861 ppm2      1.746 CV     1
 ASSI { 1248}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak  1248 spectrum    1 weight  0.11000E+01 volume  0.13030E-02 ppm1      2.586 ppm2      4.051 CV     1
 ASSI { 1252}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HG3 ))
      2.600     0.800     0.800 peak  1252 spectrum    1 weight  0.11000E+01 volume  0.31847E-02 ppm1      2.586 ppm2      1.746 CV     1
 ASSI { 1253}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak  1253 spectrum    1 weight  0.11000E+01 volume  0.10362E-02 ppm1      1.746 ppm2      7.320 CV     1
 ASSI { 1255}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.100     0.600     0.600 peak  1255 spectrum    1 weight  0.11000E+01 volume  0.10509E-01 ppm1      1.746 ppm2      1.976 CV     1
 ASSI { 1261}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB  ))
      2.800     1.000     1.000 peak  1261 spectrum    1 weight  0.11000E+01 volume  0.20026E-02 ppm1      4.153 ppm2      1.796 CV     1
 ASSI { 1263}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG12))
      2.500     0.800     0.800 peak  1263 spectrum    1 weight  0.11000E+01 volume  0.35927E-02 ppm1      4.153 ppm2      0.926 CV     1
 ASSI { 1264}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD1%)
      2.800     1.000     1.000 peak  1264 spectrum    1 weight  0.11000E+01 volume  0.20070E-02 ppm1      4.153 ppm2      0.727 CV     1
 ASSI { 1269}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 51   and name HG12))
      2.900     1.100     1.100 peak  1269 spectrum    1 weight  0.11000E+01 volume  0.15741E-02 ppm1      1.796 ppm2      0.926 CV     1
 ASSI { 1272}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      2.400     0.700     0.700 peak  1272 spectrum    1 weight  0.11000E+01 volume  0.49744E-02 ppm1      0.784 ppm2      4.153 CV     1
 ASSI { 1273}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HB  ))
      2.200     0.600     0.600 peak  1273 spectrum    1 weight  0.11000E+01 volume  0.81401E-02 ppm1      0.784 ppm2      1.796 CV     1
 ASSI { 1275}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HG12))
      2.200     0.600     0.600 peak  1275 spectrum    1 weight  0.11000E+01 volume  0.85846E-02 ppm1      0.784 ppm2      0.926 CV     1
 ASSI { 1283}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak  1283 spectrum    1 weight  0.11000E+01 volume  0.83733E-03 ppm1      0.727 ppm2      8.704 CV     1
 ASSI { 1285}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HB  ))
      2.500     0.800     0.800 peak  1285 spectrum    1 weight  0.11000E+01 volume  0.37006E-02 ppm1      0.727 ppm2      1.796 CV     1
 ASSI { 1286}
   (  segid "    " and resid 51   and name HD1%)
   (  segid "    " and resid 51   and name HG2%)
      1.800     0.400     0.400 peak  1286 spectrum    1 weight  0.11000E+01 volume  0.32699E-01 ppm1      0.727 ppm2      0.784 CV     1
 ASSI { 1287}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HG12))
      2.100     0.500     0.500 peak  1287 spectrum    1 weight  0.11000E+01 volume  0.13263E-01 ppm1      0.727 ppm2      0.926 CV     1
 ASSI { 1291}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      2.900     1.000     1.000 peak  1291 spectrum    1 weight  0.11000E+01 volume  0.17490E-02 ppm1      5.329 ppm2      1.788 CV     1
 ASSI { 1292}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HG1%)
      2.500     0.800     0.800 peak  1292 spectrum    1 weight  0.11000E+01 volume  0.38827E-02 ppm1      5.329 ppm2      0.943 CV     1
 ASSI { 1293}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      2.400     0.700     0.700 peak  1293 spectrum    1 weight  0.11000E+01 volume  0.52462E-02 ppm1      5.329 ppm2      0.778 CV     1
 ASSI { 1301}
   (  segid "    " and resid 52   and name HG1%)
   (( segid "    " and resid 52   and name HB  ))
      2.300     0.700     0.700 peak  1301 spectrum    1 weight  0.11000E+01 volume  0.69232E-02 ppm1      0.943 ppm2      1.788 CV     1
 ASSI { 1303}
   (  segid "    " and resid 52   and name HG1%)
   (  segid "    " and resid 52   and name HG2%)
      2.000     0.500     0.500 peak  1303 spectrum    1 weight  0.11000E+01 volume  0.17490E-01 ppm1      0.943 ppm2      0.778 CV     1
 ASSI { 1304}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.100     1.100 peak  1304 spectrum    1 weight  0.11000E+01 volume  0.14991E-02 ppm1      0.778 ppm2      8.928 CV     1
 ASSI { 1306}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
      2.300     0.700     0.700 peak  1306 spectrum    1 weight  0.11000E+01 volume  0.65296E-02 ppm1      0.778 ppm2      1.788 CV     1
 ASSI { 1311}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB  ))
      2.700     0.900     0.900 peak  1311 spectrum    1 weight  0.11000E+01 volume  0.24078E-02 ppm1      5.192 ppm2      3.874 CV     1
 ASSI { 1316}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 53   and name HG2%)
      2.400     0.700     0.700 peak  1316 spectrum    1 weight  0.11000E+01 volume  0.55771E-02 ppm1      3.874 ppm2      1.024 CV     1
 ASSI { 1318}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak  1318 spectrum    1 weight  0.11000E+01 volume  0.45773E-02 ppm1      1.024 ppm2      5.192 CV     1
 ASSI { 1323}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.900     1.100     1.100 peak  1323 spectrum    1 weight  0.11000E+01 volume  0.15712E-02 ppm1      4.969 ppm2      1.691 CV     1
 ASSI { 1325}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      3.100     1.200     1.200 peak  1325 spectrum    1 weight  0.11000E+01 volume  0.12119E-02 ppm1      4.969 ppm2      1.634 CV     1
 ASSI { 1327}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      3.100     1.200     1.200 peak  1327 spectrum    1 weight  0.11000E+01 volume  0.12185E-02 ppm1      4.969 ppm2      0.794 CV     1
 ASSI { 1331}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB3 ))
      2.300     0.600     0.600 peak  1331 spectrum    1 weight  0.11000E+01 volume  0.70069E-02 ppm1      1.691 ppm2      1.202 CV     1
 ASSI { 1334}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      2.500     0.800     0.800 peak  1334 spectrum    1 weight  0.11000E+01 volume  0.37705E-02 ppm1      1.691 ppm2      0.794 CV     1
 ASSI { 1336}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak  1336 spectrum    1 weight  0.11000E+01 volume  0.18802E-02 ppm1      1.202 ppm2      4.969 CV     1
 ASSI { 1339}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HG  ))
      2.300     0.700     0.700 peak  1339 spectrum    1 weight  0.11000E+01 volume  0.58927E-02 ppm1      1.202 ppm2      1.634 CV     1
 ASSI { 1341}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 54   and name HD2%)
      2.500     0.800     0.800 peak  1341 spectrum    1 weight  0.11000E+01 volume  0.43258E-02 ppm1      1.202 ppm2      0.794 CV     1
 ASSI { 1344}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 54   and name HB2 ))
      1.900     0.500     0.500 peak  1344 spectrum    1 weight  0.11000E+01 volume  0.19210E-01 ppm1      1.620 ppm2      1.701 CV     1
 ASSI { 1347}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
      2.300     0.600     0.600 peak  1347 spectrum    1 weight  0.11000E+01 volume  0.74915E-02 ppm1      1.620 ppm2      0.930 CV     1
 ASSI { 1350}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
      2.400     0.700     0.700 peak  1350 spectrum    1 weight  0.11000E+01 volume  0.57986E-02 ppm1      0.935 ppm2      4.969 CV     1
 ASSI { 1351}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.700     0.700 peak  1351 spectrum    1 weight  0.11000E+01 volume  0.58176E-02 ppm1      0.935 ppm2      1.691 CV     1
 ASSI { 1352}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HB3 ))
      2.500     0.800     0.800 peak  1352 spectrum    1 weight  0.11000E+01 volume  0.39251E-02 ppm1      0.935 ppm2      1.202 CV     1
 ASSI { 1355}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 54   and name HD2%)
      1.800     0.400     0.400 peak  1355 spectrum    1 weight  0.11000E+01 volume  0.30804E-01 ppm1      0.935 ppm2      0.794 CV     1
 ASSI { 1360}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 54   and name HG  ))
      2.200     0.600     0.600 peak  1360 spectrum    1 weight  0.11000E+01 volume  0.90219E-02 ppm1      0.794 ppm2      1.634 CV     1
 ASSI { 1363}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.000     1.000 peak  1363 spectrum    1 weight  0.11000E+01 volume  0.17351E-02 ppm1      4.521 ppm2     10.227 CV     1
 ASSI { 1365}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak  1365 spectrum    1 weight  0.11000E+01 volume  0.54583E-02 ppm1      4.521 ppm2      3.131 CV     1
 ASSI { 1371}
   (( segid "    " and resid 56   and name HA1 ))
   (( segid "    " and resid 56   and name HA2 ))
      2.000     0.500     0.500 peak  1371 spectrum    1 weight  0.11000E+01 volume  0.15792E-01 ppm1      4.277 ppm2      3.627 CV     1
 ASSI { 1372}
   (( segid "    " and resid 56   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak  1372 spectrum    1 weight  0.11000E+01 volume  0.32881E-02 ppm1      3.627 ppm2      8.873 CV     1
 ASSI { 1377}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak  1377 spectrum    1 weight  0.11000E+01 volume  0.25171E-02 ppm1      4.766 ppm2      2.089 CV     1
 ASSI { 1378}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG2 ))
      2.700     0.900     0.900 peak  1378 spectrum    1 weight  0.11000E+01 volume  0.23881E-02 ppm1      4.766 ppm2      1.885 CV     1
 ASSI { 1379}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HD2 ))
      3.200     1.300     1.300 peak  1379 spectrum    1 weight  0.11000E+01 volume  0.95102E-03 ppm1      4.766 ppm2      1.666 CV     1
 ASSI { 1380}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HD3 ))
      2.600     0.900     0.900 peak  1380 spectrum    1 weight  0.11000E+01 volume  0.29041E-02 ppm1      4.766 ppm2      1.602 CV     1
 ASSI { 1381}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HE2 ))
      3.300     1.400     1.400 peak  1381 spectrum    1 weight  0.11000E+01 volume  0.73312E-03 ppm1      4.766 ppm2      3.164 CV     1
 ASSI { 1386}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HD2 ))
      2.500     2.500     3.500 peak  1386 spectrum    1 weight  0.11000E+01 volume  0.41466E-02 ppm1      2.089 ppm2      1.666 CV     1
 ASSI { 1387}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HD3 ))
      2.600     0.800     0.800 peak  1387 spectrum    1 weight  0.11000E+01 volume  0.34003E-02 ppm1      2.089 ppm2      1.602 CV     1
 ASSI { 1391}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HB2 ))
      2.400     0.700     0.700 peak  1391 spectrum    1 weight  0.11000E+01 volume  0.54314E-02 ppm1      1.885 ppm2      2.089 CV     1
 ASSI { 1393}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HD2 ))
      2.300     0.600     0.600 peak  1393 spectrum    1 weight  0.11000E+01 volume  0.73458E-02 ppm1      1.885 ppm2      1.666 CV     1
 ASSI { 1394}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HD3 ))
      2.400     0.700     0.700 peak  1394 spectrum    1 weight  0.11000E+01 volume  0.54912E-02 ppm1      1.885 ppm2      1.602 CV     1
 ASSI { 1401}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HD3 ))
      1.800     0.400     0.400 peak  1401 spectrum    1 weight  0.11000E+01 volume  0.27277E-01 ppm1      1.666 ppm2      1.602 CV     1
 ASSI { 1412}
   (( segid "    " and resid 57   and name HE2 ))
   (( segid "    " and resid 57   and name HB2 ))
      3.400     1.400     1.400 peak  1412 spectrum    1 weight  0.11000E+01 volume  0.63256E-03 ppm1      3.164 ppm2      2.089 CV     1
 ASSI { 1413}
   (( segid "    " and resid 57   and name HE2 ))
   (( segid "    " and resid 57   and name HG2 ))
      2.400     0.700     0.700 peak  1413 spectrum    1 weight  0.11000E+01 volume  0.46167E-02 ppm1      3.164 ppm2      1.885 CV     1
 ASSI { 1414}
   (( segid "    " and resid 57   and name HE2 ))
   (( segid "    " and resid 57   and name HD2 ))
      2.800     1.000     1.000 peak  1414 spectrum    1 weight  0.11000E+01 volume  0.19625E-02 ppm1      3.164 ppm2      1.666 CV     1
 ASSI { 1415}
   (( segid "    " and resid 57   and name HE2 ))
   (( segid "    " and resid 57   and name HD3 ))
      2.800     1.000     1.000 peak  1415 spectrum    1 weight  0.11000E+01 volume  0.18503E-02 ppm1      3.164 ppm2      1.602 CV     1
 ASSI { 1417}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  1417 spectrum    1 weight  0.11000E+01 volume  0.41998E-02 ppm1      4.651 ppm2      8.713 CV     1
 ASSI { 1421}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG3 ))
      2.500     0.800     0.800 peak  1421 spectrum    1 weight  0.11000E+01 volume  0.39906E-02 ppm1      4.651 ppm2      1.583 CV     1
 ASSI { 1422}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HD2 ))
      3.000     1.100     1.100 peak  1422 spectrum    1 weight  0.11000E+01 volume  0.14823E-02 ppm1      4.651 ppm2      3.237 CV     1
 ASSI { 1424}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  1424 spectrum    1 weight  0.11000E+01 volume  0.24275E-02 ppm1      1.805 ppm2      4.651 CV     1
 ASSI { 1426}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HG2 ))
      2.200     0.600     0.600 peak  1426 spectrum    1 weight  0.11000E+01 volume  0.95539E-02 ppm1      1.805 ppm2      1.674 CV     1
 ASSI { 1427}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HG3 ))
      2.200     0.600     0.600 peak  1427 spectrum    1 weight  0.11000E+01 volume  0.88398E-02 ppm1      1.805 ppm2      1.583 CV     1
 ASSI { 1430}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak  1430 spectrum    1 weight  0.11000E+01 volume  0.11194E-02 ppm1      1.674 ppm2      4.651 CV     1
 ASSI { 1433}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HG3 ))
      1.900     0.400     0.400 peak  1433 spectrum    1 weight  0.11000E+01 volume  0.23568E-01 ppm1      1.674 ppm2      1.583 CV     1
 ASSI { 1443}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak  1443 spectrum    1 weight  0.11000E+01 volume  0.35549E-02 ppm1      3.237 ppm2      1.805 CV     1
 ASSI { 1444}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HG2 ))
      2.400     0.700     0.700 peak  1444 spectrum    1 weight  0.11000E+01 volume  0.50080E-02 ppm1      3.237 ppm2      1.674 CV     1
 ASSI { 1445}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HG3 ))
      2.700     0.900     0.900 peak  1445 spectrum    1 weight  0.11000E+01 volume  0.25339E-02 ppm1      3.237 ppm2      1.583 CV     1
 ASSI { 1449}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.100     1.100 peak  1449 spectrum    1 weight  0.11000E+01 volume  0.15406E-02 ppm1      3.934 ppm2      1.490 CV     1
 ASSI { 1450}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.600     0.800     0.800 peak  1450 spectrum    1 weight  0.11000E+01 volume  0.33538E-02 ppm1      3.934 ppm2      1.259 CV     1
 ASSI { 1457}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.200     0.600     0.600 peak  1457 spectrum    1 weight  0.11000E+01 volume  0.94081E-02 ppm1      1.490 ppm2      1.259 CV     1
 ASSI { 1458}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HG  ))
      2.200     0.600     0.600 peak  1458 spectrum    1 weight  0.11000E+01 volume  0.96414E-02 ppm1      1.490 ppm2      1.275 CV     1
 ASSI { 1465}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HG  ))
      2.100     0.600     0.600 peak  1465 spectrum    1 weight  0.11000E+01 volume  0.10822E-01 ppm1      1.259 ppm2      1.275 CV     1
 ASSI { 1466}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
      2.900     1.100     1.100 peak  1466 spectrum    1 weight  0.11000E+01 volume  0.15902E-02 ppm1      1.259 ppm2      0.532 CV     1
 ASSI { 1468}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.100     1.100 peak  1468 spectrum    1 weight  0.11000E+01 volume  0.15857E-02 ppm1      1.275 ppm2      8.725 CV     1
 ASSI { 1469}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HA  ))
      3.400     1.400     1.400 peak  1469 spectrum    1 weight  0.11000E+01 volume  0.65821E-03 ppm1      1.275 ppm2      3.934 CV     1
 ASSI { 1476}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak  1476 spectrum    1 weight  0.11000E+01 volume  0.91531E-03 ppm1      0.532 ppm2      3.934 CV     1
 ASSI { 1477}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  1477 spectrum    1 weight  0.11000E+01 volume  0.36671E-02 ppm1      0.532 ppm2      1.490 CV     1
 ASSI { 1479}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HG  ))
      2.300     0.700     0.700 peak  1479 spectrum    1 weight  0.11000E+01 volume  0.67074E-02 ppm1      0.532 ppm2      1.275 CV     1
 ASSI { 1481}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 59   and name HD2%)
      2.300     0.600     0.600 peak  1481 spectrum    1 weight  0.11000E+01 volume  0.70631E-02 ppm1      0.532 ppm2      0.120 CV     1
 ASSI { 1483}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak  1483 spectrum    1 weight  0.11000E+01 volume  0.49948E-02 ppm1      0.120 ppm2      3.934 CV     1
 ASSI { 1484}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  1484 spectrum    1 weight  0.11000E+01 volume  0.25470E-02 ppm1      0.120 ppm2      1.490 CV     1
 ASSI { 1485}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB3 ))
      2.300     0.600     0.600 peak  1485 spectrum    1 weight  0.11000E+01 volume  0.73604E-02 ppm1      0.120 ppm2      1.259 CV     1
 ASSI { 1486}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HG  ))
      2.200     0.600     0.600 peak  1486 spectrum    1 weight  0.11000E+01 volume  0.77393E-02 ppm1      0.120 ppm2      1.275 CV     1
 ASSI { 1491}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.700     0.900     0.900 peak  1491 spectrum    1 weight  0.11000E+01 volume  0.25499E-02 ppm1      4.604 ppm2      2.166 CV     1
 ASSI { 1494}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG3 ))
      2.900     1.000     1.000 peak  1494 spectrum    1 weight  0.11000E+01 volume  0.17468E-02 ppm1      4.604 ppm2      2.302 CV     1
 ASSI { 1498}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB3 ))
      2.100     0.600     0.600 peak  1498 spectrum    1 weight  0.11000E+01 volume  0.10305E-01 ppm1      2.166 ppm2      1.934 CV     1
 ASSI { 1500}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HG3 ))
      2.300     0.600     0.600 peak  1500 spectrum    1 weight  0.11000E+01 volume  0.70725E-02 ppm1      2.166 ppm2      2.302 CV     1
 ASSI { 1501}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.100     1.100 peak  1501 spectrum    1 weight  0.11000E+01 volume  0.14079E-02 ppm1      1.934 ppm2      8.088 CV     1
 ASSI { 1502}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1502 spectrum    1 weight  0.11000E+01 volume  0.14057E-02 ppm1      1.934 ppm2      4.604 CV     1
 ASSI { 1508}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak  1508 spectrum    1 weight  0.11000E+01 volume  0.13744E-02 ppm1      2.474 ppm2      4.604 CV     1
 ASSI { 1509}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.600     0.900     0.900 peak  1509 spectrum    1 weight  0.11000E+01 volume  0.28647E-02 ppm1      2.474 ppm2      2.166 CV     1
 ASSI { 1510}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HB3 ))
      2.800     1.000     1.000 peak  1510 spectrum    1 weight  0.11000E+01 volume  0.22424E-02 ppm1      2.474 ppm2      1.934 CV     1
 ASSI { 1513}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.400     1.400 peak  1513 spectrum    1 weight  0.11000E+01 volume  0.67730E-03 ppm1      2.302 ppm2      8.088 CV     1
 ASSI { 1516}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HB3 ))
      2.600     0.800     0.800 peak  1516 spectrum    1 weight  0.11000E+01 volume  0.34382E-02 ppm1      2.302 ppm2      1.934 CV     1
 ASSI { 1517}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HG2 ))
      1.900     0.400     0.400 peak  1517 spectrum    1 weight  0.11000E+01 volume  0.23721E-01 ppm1      2.302 ppm2      2.474 CV     1
 ASSI { 1521}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak  1521 spectrum    1 weight  0.11000E+01 volume  0.23881E-02 ppm1      4.272 ppm2      2.712 CV     1
 ASSI { 1526}
   (( segid "    " and resid 62   and name HA1 ))
   (( segid "    " and resid 62   and name HA2 ))
      2.000     0.500     0.500 peak  1526 spectrum    1 weight  0.11000E+01 volume  0.14779E-01 ppm1      4.439 ppm2      3.844 CV     1
 ASSI { 1536}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1536 spectrum    1 weight  0.11000E+01 volume  0.10217E-02 ppm1      2.505 ppm2      7.523 CV     1
 ASSI { 1537}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  1537 spectrum    1 weight  0.11000E+01 volume  0.14728E-02 ppm1      2.505 ppm2      4.838 CV     1
 ASSI { 1539}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
      2.200     0.600     0.600 peak  1539 spectrum    1 weight  0.11000E+01 volume  0.85483E-02 ppm1      2.505 ppm2      2.412 CV     1
 ASSI { 1540}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
      2.700     0.900     0.900 peak  1540 spectrum    1 weight  0.11000E+01 volume  0.24340E-02 ppm1      2.505 ppm2      1.746 CV     1
 ASSI { 1542}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HE2 ))
      3.600     1.600     1.600 peak  1542 spectrum    1 weight  0.11000E+01 volume  0.48943E-03 ppm1      2.505 ppm2      2.991 CV     1
 ASSI { 1544}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  1544 spectrum    1 weight  0.11000E+01 volume  0.14254E-02 ppm1      2.412 ppm2      4.838 CV     1
 ASSI { 1547}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
      2.900     1.000     1.000 peak  1547 spectrum    1 weight  0.11000E+01 volume  0.16958E-02 ppm1      2.412 ppm2      1.746 CV     1
 ASSI { 1549}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HE2 ))
      4.400     2.400     1.600 peak  1549 spectrum    1 weight  0.11000E+01 volume  0.14050E-03 ppm1      2.412 ppm2      2.991 CV     1
 ASSI { 1551}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak  1551 spectrum    1 weight  0.11000E+01 volume  0.19837E-02 ppm1      1.746 ppm2      4.838 CV     1
 ASSI { 1558}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak  1558 spectrum    1 weight  0.11000E+01 volume  0.13147E-02 ppm1      1.422 ppm2      4.838 CV     1
 ASSI { 1559}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HB2 ))
      3.000     1.100     1.100 peak  1559 spectrum    1 weight  0.11000E+01 volume  0.14174E-02 ppm1      1.422 ppm2      2.505 CV     1
 ASSI { 1560}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HB3 ))
      3.000     1.100     1.100 peak  1560 spectrum    1 weight  0.11000E+01 volume  0.13198E-02 ppm1      1.422 ppm2      2.412 CV     1
 ASSI { 1561}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HG2 ))
      2.300     0.600     0.600 peak  1561 spectrum    1 weight  0.11000E+01 volume  0.72875E-02 ppm1      1.422 ppm2      1.746 CV     1
 ASSI { 1565}
   (( segid "    " and resid 63   and name HE2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.500     1.500 peak  1565 spectrum    1 weight  0.11000E+01 volume  0.60938E-03 ppm1      2.991 ppm2      4.838 CV     1
 ASSI { 1568}
   (( segid "    " and resid 63   and name HE2 ))
   (( segid "    " and resid 63   and name HG2 ))
      2.400     0.700     0.700 peak  1568 spectrum    1 weight  0.11000E+01 volume  0.48155E-02 ppm1      2.991 ppm2      1.746 CV     1
 ASSI { 1569}
   (( segid "    " and resid 63   and name HE2 ))
   (( segid "    " and resid 63   and name HD2 ))
      3.000     1.100     1.100 peak  1569 spectrum    1 weight  0.11000E+01 volume  0.12717E-02 ppm1      2.991 ppm2      1.422 CV     1
 ASSI { 1573}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1573 spectrum    1 weight  0.11000E+01 volume  0.26497E-02 ppm1      5.311 ppm2      2.304 CV     1
 ASSI { 1574}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
      2.900     1.000     1.000 peak  1574 spectrum    1 weight  0.11000E+01 volume  0.17002E-02 ppm1      5.311 ppm2      2.071 CV     1
 ASSI { 1576}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG3 ))
      3.400     1.400     1.400 peak  1576 spectrum    1 weight  0.11000E+01 volume  0.68721E-03 ppm1      5.311 ppm2      2.676 CV     1
 ASSI { 1585}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HB2 ))
      2.200     0.600     0.600 peak  1585 spectrum    1 weight  0.11000E+01 volume  0.90073E-02 ppm1      2.071 ppm2      2.304 CV     1
 ASSI { 1590}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.500     1.500 peak  1590 spectrum    1 weight  0.11000E+01 volume  0.61266E-03 ppm1      2.817 ppm2      5.311 CV     1
 ASSI { 1591}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
      2.900     1.000     1.000 peak  1591 spectrum    1 weight  0.11000E+01 volume  0.17330E-02 ppm1      2.817 ppm2      2.304 CV     1
 ASSI { 1592}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HB3 ))
      2.700     0.900     0.900 peak  1592 spectrum    1 weight  0.11000E+01 volume  0.23750E-02 ppm1      2.817 ppm2      2.071 CV     1
 ASSI { 1594}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HG3 ))
      2.000     0.500     0.500 peak  1594 spectrum    1 weight  0.11000E+01 volume  0.17089E-01 ppm1      2.817 ppm2      2.676 CV     1
 ASSI { 1597}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 64   and name HB2 ))
      3.000     1.100     1.100 peak  1597 spectrum    1 weight  0.11000E+01 volume  0.14473E-02 ppm1      2.676 ppm2      2.304 CV     1
 ASSI { 1598}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 64   and name HB3 ))
      2.700     0.900     0.900 peak  1598 spectrum    1 weight  0.11000E+01 volume  0.27889E-02 ppm1      2.676 ppm2      2.071 CV     1
 ASSI { 1608}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.300     1.400     1.400 peak  1608 spectrum    1 weight  0.11000E+01 volume  0.75207E-03 ppm1      2.453 ppm2      4.790 CV     1
 ASSI { 1610}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HB3 ))
      2.400     0.700     0.700 peak  1610 spectrum    1 weight  0.11000E+01 volume  0.46502E-02 ppm1      2.453 ppm2      1.856 CV     1
 ASSI { 1614}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak  1614 spectrum    1 weight  0.11000E+01 volume  0.11375E-02 ppm1      1.856 ppm2      4.790 CV     1
 ASSI { 1617}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HG2 ))
      2.600     0.800     0.800 peak  1617 spectrum    1 weight  0.11000E+01 volume  0.31337E-02 ppm1      1.856 ppm2      2.508 CV     1
 ASSI { 1618}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HG3 ))
      2.700     0.900     0.900 peak  1618 spectrum    1 weight  0.11000E+01 volume  0.26366E-02 ppm1      1.856 ppm2      2.338 CV     1
 ASSI { 1620}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak  1620 spectrum    1 weight  0.11000E+01 volume  0.98017E-03 ppm1      2.508 ppm2      4.790 CV     1
 ASSI { 1621}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak  1621 spectrum    1 weight  0.11000E+01 volume  0.85045E-02 ppm1      2.508 ppm2      2.453 CV     1
 ASSI { 1624}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HG3 ))
      2.200     0.600     0.600 peak  1624 spectrum    1 weight  0.11000E+01 volume  0.83296E-02 ppm1      2.508 ppm2      2.338 CV     1
 ASSI { 1626}
   (( segid "    " and resid 65   and name HG3 ))
   (( segid "    " and resid 65   and name HA  ))
      3.700     1.700     1.700 peak  1626 spectrum    1 weight  0.11000E+01 volume  0.36940E-03 ppm1      2.338 ppm2      4.790 CV     1
 ASSI { 1627}
   (( segid "    " and resid 65   and name HG3 ))
   (( segid "    " and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak  1627 spectrum    1 weight  0.11000E+01 volume  0.47164E-02 ppm1      2.338 ppm2      2.453 CV     1
 ASSI { 1633}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HB% )
      2.200     0.600     0.600 peak  1633 spectrum    1 weight  0.11000E+01 volume  0.79433E-02 ppm1      4.247 ppm2      1.515 CV     1
 ASSI { 1639}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak  1639 spectrum    1 weight  0.11000E+01 volume  0.20143E-02 ppm1      4.425 ppm2      2.822 CV     1
 ASSI { 1640}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.500     0.800     0.800 peak  1640 spectrum    1 weight  0.11000E+01 volume  0.41597E-02 ppm1      4.425 ppm2      2.464 CV     1
 ASSI { 1644}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
      2.100     0.600     0.600 peak  1644 spectrum    1 weight  0.11000E+01 volume  0.99912E-02 ppm1      2.822 ppm2      2.464 CV     1
 ASSI { 1651}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.800     1.000     1.000 peak  1651 spectrum    1 weight  0.11000E+01 volume  0.20536E-02 ppm1      4.488 ppm2      3.398 CV     1
 ASSI { 1656}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HB3 ))
      2.300     0.700     0.700 peak  1656 spectrum    1 weight  0.11000E+01 volume  0.67541E-02 ppm1      3.398 ppm2      2.760 CV     1
 ASSI { 1657}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.000     1.000 peak  1657 spectrum    1 weight  0.11000E+01 volume  0.16834E-02 ppm1      2.760 ppm2      7.795 CV     1
 ASSI { 1658}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  1658 spectrum    1 weight  0.11000E+01 volume  0.11973E-02 ppm1      2.760 ppm2      4.488 CV     1
 ASSI { 1661}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  1661 spectrum    1 weight  0.11000E+01 volume  0.18452E-02 ppm1      4.035 ppm2      7.823 CV     1
 ASSI { 1663}
   (( segid "    " and resid 69   and name HA1 ))
   (( segid "    " and resid 69   and name HA2 ))
      1.900     0.500     0.500 peak  1663 spectrum    1 weight  0.11000E+01 volume  0.19210E-01 ppm1      4.035 ppm2      3.914 CV     1
 ASSI { 1664}
   (( segid "    " and resid 69   and name HA2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  1664 spectrum    1 weight  0.11000E+01 volume  0.21331E-02 ppm1      3.914 ppm2      7.823 CV     1
 ASSI { 1669}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
      2.500     0.800     0.800 peak  1669 spectrum    1 weight  0.11000E+01 volume  0.40606E-02 ppm1      4.218 ppm2      1.671 CV     1
 ASSI { 1670}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      2.400     0.700     0.700 peak  1670 spectrum    1 weight  0.11000E+01 volume  0.51734E-02 ppm1      4.218 ppm2      0.935 CV     1
 ASSI { 1671}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG12))
      2.800     2.800     3.200 peak  1671 spectrum    1 weight  0.11000E+01 volume  0.20114E-02 ppm1      4.218 ppm2      1.529 CV     1
 ASSI { 1673}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      2.700     0.900     0.900 peak  1673 spectrum    1 weight  0.11000E+01 volume  0.26395E-02 ppm1      4.218 ppm2      0.762 CV     1
 ASSI { 1674}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.000     1.000 peak  1674 spectrum    1 weight  0.11000E+01 volume  0.18357E-02 ppm1      1.671 ppm2      6.746 CV     1
 ASSI { 1680}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 70   and name HD1%)
      2.500     0.800     0.800 peak  1680 spectrum    1 weight  0.11000E+01 volume  0.39579E-02 ppm1      1.671 ppm2      0.762 CV     1
 ASSI { 1683}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.300     0.700     0.700 peak  1683 spectrum    1 weight  0.11000E+01 volume  0.63984E-02 ppm1      0.935 ppm2      1.671 CV     1
 ASSI { 1686}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HG13))
      2.200     2.200     3.800 peak  1686 spectrum    1 weight  0.11000E+01 volume  0.87158E-02 ppm1      0.935 ppm2      1.031 CV     1
 ASSI { 1687}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 70   and name HD1%)
      2.100     0.500     0.500 peak  1687 spectrum    1 weight  0.11000E+01 volume  0.12797E-01 ppm1      0.935 ppm2      0.762 CV     1
 ASSI { 1690}
   (( segid "    " and resid 70   and name HG12))
   (( segid "    " and resid 70   and name HB  ))
      2.200     0.600     0.600 peak  1690 spectrum    1 weight  0.11000E+01 volume  0.98672E-02 ppm1      1.529 ppm2      1.671 CV     1
 ASSI { 1691}
   (( segid "    " and resid 70   and name HG12))
   (  segid "    " and resid 70   and name HG2%)
      2.300     0.700     0.700 peak  1691 spectrum    1 weight  0.11000E+01 volume  0.69137E-02 ppm1      1.529 ppm2      0.935 CV     1
 ASSI { 1693}
   (( segid "    " and resid 70   and name HG12))
   (( segid "    " and resid 70   and name HG13))
      2.200     0.600     0.600 peak  1693 spectrum    1 weight  0.11000E+01 volume  0.92843E-02 ppm1      1.529 ppm2      1.031 CV     1
 ASSI { 1694}
   (( segid "    " and resid 70   and name HG12))
   (  segid "    " and resid 70   and name HD1%)
      2.200     0.600     0.600 peak  1694 spectrum    1 weight  0.11000E+01 volume  0.94227E-02 ppm1      1.529 ppm2      0.762 CV     1
 ASSI { 1695}
   (( segid "    " and resid 70   and name HG13))
   (( segid "    " and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  1695 spectrum    1 weight  0.11000E+01 volume  0.11543E-02 ppm1      1.031 ppm2      6.746 CV     1
 ASSI { 1696}
   (( segid "    " and resid 70   and name HG13))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak  1696 spectrum    1 weight  0.11000E+01 volume  0.88761E-03 ppm1      1.031 ppm2      4.218 CV     1
 ASSI { 1697}
   (( segid "    " and resid 70   and name HG13))
   (( segid "    " and resid 70   and name HB  ))
      2.600     0.900     0.900 peak  1697 spectrum    1 weight  0.11000E+01 volume  0.28618E-02 ppm1      1.031 ppm2      1.671 CV     1
 ASSI { 1701}
   (( segid "    " and resid 70   and name HG13))
   (  segid "    " and resid 70   and name HD1%)
      2.400     0.700     0.700 peak  1701 spectrum    1 weight  0.11000E+01 volume  0.49744E-02 ppm1      1.031 ppm2      0.762 CV     1
 ASSI { 1711}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak  1711 spectrum    1 weight  0.11000E+01 volume  0.25769E-02 ppm1      4.552 ppm2      1.985 CV     1
 ASSI { 1712}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB3 ))
      2.400     0.700     0.700 peak  1712 spectrum    1 weight  0.11000E+01 volume  0.46763E-02 ppm1      4.552 ppm2      1.737 CV     1
 ASSI { 1715}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.400     1.500     1.500 peak  1715 spectrum    1 weight  0.11000E+01 volume  0.62425E-03 ppm1      1.985 ppm2      8.004 CV     1
 ASSI { 1718}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB3 ))
      2.000     0.500     0.500 peak  1718 spectrum    1 weight  0.11000E+01 volume  0.17060E-01 ppm1      1.985 ppm2      1.737 CV     1
 ASSI { 1719}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.000     0.500     0.500 peak  1719 spectrum    1 weight  0.11000E+01 volume  0.17060E-01 ppm1      1.985 ppm2      1.768 CV     1
 ASSI { 1725}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HG2 ))
      1.700     1.700     4.300 peak  1725 spectrum    1 weight  0.11000E+01 volume  0.47813E-01 ppm1      1.737 ppm2      1.768 CV     1
 ASSI { 1728}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.100     1.100 peak  1728 spectrum    1 weight  0.11000E+01 volume  0.15107E-02 ppm1      1.768 ppm2      4.552 CV     1
 ASSI { 1733}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HN  ))
      4.300     2.300     1.700 peak  1733 spectrum    1 weight  0.11000E+01 volume  0.15376E-03 ppm1      3.305 ppm2      8.004 CV     1
 ASSI { 1734}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak  1734 spectrum    1 weight  0.11000E+01 volume  0.67395E-03 ppm1      3.305 ppm2      4.552 CV     1
 ASSI { 1735}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.000     1.000 peak  1735 spectrum    1 weight  0.11000E+01 volume  0.17468E-02 ppm1      3.305 ppm2      1.985 CV     1
 ASSI { 1736}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB3 ))
      2.600     0.800     0.800 peak  1736 spectrum    1 weight  0.11000E+01 volume  0.34098E-02 ppm1      3.305 ppm2      1.737 CV     1
 ASSI { 1737}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.500     0.800     0.800 peak  1737 spectrum    1 weight  0.11000E+01 volume  0.41663E-02 ppm1      3.305 ppm2      1.768 CV     1
 ASSI { 1741}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak  1741 spectrum    1 weight  0.11000E+01 volume  0.47427E-02 ppm1      3.899 ppm2      1.922 CV     1
 ASSI { 1742}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.100     1.200     1.200 peak  1742 spectrum    1 weight  0.11000E+01 volume  0.11894E-02 ppm1      3.899 ppm2      1.793 CV     1
 ASSI { 1744}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD3 ))
      3.200     1.300     1.300 peak  1744 spectrum    1 weight  0.11000E+01 volume  0.93061E-03 ppm1      3.899 ppm2      1.485 CV     1
 ASSI { 1746}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak  1746 spectrum    1 weight  0.11000E+01 volume  0.27161E-02 ppm1      1.922 ppm2      8.571 CV     1
 ASSI { 1750}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      2.400     0.700     0.700 peak  1750 spectrum    1 weight  0.11000E+01 volume  0.56172E-02 ppm1      1.922 ppm2      1.601 CV     1
 ASSI { 1751}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD3 ))
      2.700     0.900     0.900 peak  1751 spectrum    1 weight  0.11000E+01 volume  0.26862E-02 ppm1      1.922 ppm2      1.485 CV     1
 ASSI { 1755}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HB2 ))
      2.000     0.500     0.500 peak  1755 spectrum    1 weight  0.11000E+01 volume  0.15829E-01 ppm1      1.793 ppm2      1.922 CV     1
 ASSI { 1757}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      2.000     0.500     0.500 peak  1757 spectrum    1 weight  0.11000E+01 volume  0.13490E-01 ppm1      1.793 ppm2      1.601 CV     1
 ASSI { 1761}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.300     1.300 peak  1761 spectrum    1 weight  0.11000E+01 volume  0.79507E-03 ppm1      1.601 ppm2      3.899 CV     1
 ASSI { 1765}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HD3 ))
      2.000     0.500     0.500 peak  1765 spectrum    1 weight  0.11000E+01 volume  0.14743E-01 ppm1      1.601 ppm2      1.485 CV     1
 ASSI { 1770}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.400     0.700     0.700 peak  1770 spectrum    1 weight  0.11000E+01 volume  0.55312E-02 ppm1      1.485 ppm2      1.793 CV     1
 ASSI { 1774}
   (( segid "    " and resid 72   and name HE2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  1774 spectrum    1 weight  0.11000E+01 volume  0.25543E-03 ppm1      3.058 ppm2      8.571 CV     1
 ASSI { 1775}
   (( segid "    " and resid 72   and name HE2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.500     1.500     1.500 peak  1775 spectrum    1 weight  0.11000E+01 volume  0.53155E-03 ppm1      3.058 ppm2      3.899 CV     1
 ASSI { 1776}
   (( segid "    " and resid 72   and name HE2 ))
   (( segid "    " and resid 72   and name HB2 ))
      3.600     1.600     1.600 peak  1776 spectrum    1 weight  0.11000E+01 volume  0.48651E-03 ppm1      3.058 ppm2      1.922 CV     1
 ASSI { 1777}
   (( segid "    " and resid 72   and name HE2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.300     0.700     0.700 peak  1777 spectrum    1 weight  0.11000E+01 volume  0.61638E-02 ppm1      3.058 ppm2      1.793 CV     1
 ASSI { 1778}
   (( segid "    " and resid 72   and name HE2 ))
   (( segid "    " and resid 72   and name HD2 ))
      2.600     0.900     0.900 peak  1778 spectrum    1 weight  0.11000E+01 volume  0.30630E-02 ppm1      3.058 ppm2      1.601 CV     1
 ASSI { 1779}
   (( segid "    " and resid 72   and name HE2 ))
   (( segid "    " and resid 72   and name HD3 ))
      2.600     0.900     0.900 peak  1779 spectrum    1 weight  0.11000E+01 volume  0.28479E-02 ppm1      3.058 ppm2      1.485 CV     1
 ASSI { 1783}
   (( segid "    " and resid 73   and name HA1 ))
   (( segid "    " and resid 73   and name HA2 ))
      2.100     0.500     0.500 peak  1783 spectrum    1 weight  0.11000E+01 volume  0.12593E-01 ppm1      4.380 ppm2      3.697 CV     1
 ASSI { 1789}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak  1789 spectrum    1 weight  0.11000E+01 volume  0.20565E-02 ppm1      4.719 ppm2      2.894 CV     1
 ASSI { 1790}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.600     0.800     0.800 peak  1790 spectrum    1 weight  0.11000E+01 volume  0.33114E-02 ppm1      4.719 ppm2      2.770 CV     1
 ASSI { 1794}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB3 ))
      2.200     0.600     0.600 peak  1794 spectrum    1 weight  0.11000E+01 volume  0.77830E-02 ppm1      2.894 ppm2      2.770 CV     1
 ASSI { 1801}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak  1801 spectrum    1 weight  0.11000E+01 volume  0.39207E-02 ppm1      5.087 ppm2      1.694 CV     1
 ASSI { 1802}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB3 ))
      2.600     0.800     0.800 peak  1802 spectrum    1 weight  0.11000E+01 volume  0.34331E-02 ppm1      5.087 ppm2      0.965 CV     1
 ASSI { 1803}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
      3.100     1.200     1.200 peak  1803 spectrum    1 weight  0.11000E+01 volume  0.10552E-02 ppm1      5.087 ppm2      1.798 CV     1
 ASSI { 1804}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      3.100     1.200     1.200 peak  1804 spectrum    1 weight  0.11000E+01 volume  0.12236E-02 ppm1      5.087 ppm2      1.050 CV     1
 ASSI { 1805}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      2.400     0.700     0.700 peak  1805 spectrum    1 weight  0.11000E+01 volume  0.53724E-02 ppm1      5.087 ppm2      0.864 CV     1
 ASSI { 1809}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB3 ))
      2.200     0.600     0.600 peak  1809 spectrum    1 weight  0.11000E+01 volume  0.98162E-02 ppm1      1.694 ppm2      0.965 CV     1
 ASSI { 1811}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.100     0.600     0.600 peak  1811 spectrum    1 weight  0.11000E+01 volume  0.11157E-01 ppm1      1.694 ppm2      1.050 CV     1
 ASSI { 1812}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      2.600     0.800     0.800 peak  1812 spectrum    1 weight  0.11000E+01 volume  0.34003E-02 ppm1      1.694 ppm2      0.864 CV     1
 ASSI { 1813}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak  1813 spectrum    1 weight  0.11000E+01 volume  0.93353E-03 ppm1      0.965 ppm2      8.333 CV     1
 ASSI { 1817}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HG  ))
      3.000     1.100     1.100 peak  1817 spectrum    1 weight  0.11000E+01 volume  0.13796E-02 ppm1      0.965 ppm2      1.798 CV     1
 ASSI { 1822}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak  1822 spectrum    1 weight  0.11000E+01 volume  0.79653E-02 ppm1      1.798 ppm2      1.694 CV     1
 ASSI { 1827}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.300     1.300 peak  1827 spectrum    1 weight  0.11000E+01 volume  0.90948E-03 ppm1      1.050 ppm2      8.333 CV     1
 ASSI { 1830}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB3 ))
      1.900     0.400     0.400 peak  1830 spectrum    1 weight  0.11000E+01 volume  0.24282E-01 ppm1      1.050 ppm2      0.965 CV     1
 ASSI { 1831}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
      2.500     0.800     0.800 peak  1831 spectrum    1 weight  0.11000E+01 volume  0.44118E-02 ppm1      1.050 ppm2      1.798 CV     1
 ASSI { 1833}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
      2.100     0.600     0.600 peak  1833 spectrum    1 weight  0.11000E+01 volume  0.10480E-01 ppm1      1.050 ppm2      0.864 CV     1
 ASSI { 1837}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB3 ))
      2.300     0.700     0.700 peak  1837 spectrum    1 weight  0.11000E+01 volume  0.69413E-02 ppm1      0.864 ppm2      0.965 CV     1
 ASSI { 1838}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      2.500     0.800     0.800 peak  1838 spectrum    1 weight  0.11000E+01 volume  0.35832E-02 ppm1      0.864 ppm2      1.798 CV     1
 ASSI { 1841}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.300     0.700     0.700 peak  1841 spectrum    1 weight  0.11000E+01 volume  0.58927E-02 ppm1      5.031 ppm2      8.971 CV     1
 ASSI { 1844}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.800     0.900     0.900 peak  1844 spectrum    1 weight  0.11000E+01 volume  0.22621E-02 ppm1      5.031 ppm2      1.188 CV     1
 ASSI { 1845}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
      3.000     1.100     1.100 peak  1845 spectrum    1 weight  0.11000E+01 volume  0.14043E-02 ppm1      5.031 ppm2      1.589 CV     1
 ASSI { 1846}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      2.500     0.800     0.800 peak  1846 spectrum    1 weight  0.11000E+01 volume  0.36721E-02 ppm1      5.031 ppm2      0.753 CV     1
 ASSI { 1848}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak  1848 spectrum    1 weight  0.11000E+01 volume  0.23816E-02 ppm1      1.677 ppm2      5.031 CV     1
 ASSI { 1851}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HG  ))
      2.400     0.700     0.700 peak  1851 spectrum    1 weight  0.11000E+01 volume  0.53060E-02 ppm1      1.677 ppm2      1.589 CV     1
 ASSI { 1852}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
      2.400     0.700     0.700 peak  1852 spectrum    1 weight  0.11000E+01 volume  0.46436E-02 ppm1      1.677 ppm2      0.753 CV     1
 ASSI { 1855}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.300     0.600     0.600 peak  1855 spectrum    1 weight  0.11000E+01 volume  0.71199E-02 ppm1      1.188 ppm2      1.677 CV     1
 ASSI { 1857}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HG  ))
      2.800     1.000     1.000 peak  1857 spectrum    1 weight  0.11000E+01 volume  0.21993E-02 ppm1      1.188 ppm2      1.589 CV     1
 ASSI { 1858}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
      2.400     0.800     0.800 peak  1858 spectrum    1 weight  0.11000E+01 volume  0.45576E-02 ppm1      1.188 ppm2      0.753 CV     1
 ASSI { 1864}
   (( segid "    " and resid 76   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
      2.200     0.600     0.600 peak  1864 spectrum    1 weight  0.11000E+01 volume  0.82568E-02 ppm1      1.589 ppm2      0.753 CV     1
 ASSI { 1873}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.700     0.900     0.900 peak  1873 spectrum    1 weight  0.11000E+01 volume  0.25565E-02 ppm1      5.088 ppm2      3.051 CV     1
 ASSI { 1879}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.000     1.200     1.200 peak  1879 spectrum    1 weight  0.11000E+01 volume  0.12484E-02 ppm1      5.168 ppm2      1.942 CV     1
 ASSI { 1880}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.11000E+01 volume  0.15945E-02 ppm1      5.168 ppm2      1.329 CV     1
 ASSI { 1881}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG  ))
      2.500     0.800     0.800 peak  1881 spectrum    1 weight  0.11000E+01 volume  0.43848E-02 ppm1      5.168 ppm2      0.920 CV     1
 ASSI { 1882}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      2.400     0.700     0.700 peak  1882 spectrum    1 weight  0.11000E+01 volume  0.50080E-02 ppm1      5.168 ppm2      0.949 CV     1
 ASSI { 1886}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB3 ))
      2.300     0.600     0.600 peak  1886 spectrum    1 weight  0.11000E+01 volume  0.71009E-02 ppm1      1.942 ppm2      1.329 CV     1
 ASSI { 1887}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HG  ))
      2.500     0.800     0.800 peak  1887 spectrum    1 weight  0.11000E+01 volume  0.43390E-02 ppm1      1.942 ppm2      0.920 CV     1
 ASSI { 1888}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
      2.500     0.800     0.800 peak  1888 spectrum    1 weight  0.11000E+01 volume  0.41138E-02 ppm1      1.942 ppm2      0.949 CV     1
 ASSI { 1893}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HG  ))
      2.400     0.700     0.700 peak  1893 spectrum    1 weight  0.11000E+01 volume  0.57564E-02 ppm1      1.329 ppm2      0.920 CV     1
 ASSI { 1894}
   (( segid "    " and resid 78   and name HB3 ))
   (  segid "    " and resid 78   and name HD1%)
      2.400     0.700     0.700 peak  1894 spectrum    1 weight  0.11000E+01 volume  0.51333E-02 ppm1      1.329 ppm2      0.949 CV     1
 ASSI { 1895}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.200     1.200 peak  1895 spectrum    1 weight  0.11000E+01 volume  0.98600E-03 ppm1      0.920 ppm2      8.645 CV     1
 ASSI { 1900}
   (( segid "    " and resid 78   and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
      1.400     0.300     0.800 peak  1900 spectrum    1 weight  0.11000E+01 volume  0.11747E+00 ppm1      0.920 ppm2      0.949 CV     1
 ASSI { 1911}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 79   and name HA  ))
      2.200     0.600     0.600 peak  1911 spectrum    1 weight  0.11000E+01 volume  0.78996E-02 ppm1      1.492 ppm2      4.695 CV     1
 ASSI { 1915}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1915 spectrum    1 weight  0.11000E+01 volume  0.33114E-02 ppm1      4.916 ppm2      3.860 CV     1
 ASSI { 1919}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.300     0.600     0.600 peak  1919 spectrum    1 weight  0.11000E+01 volume  0.71476E-02 ppm1      4.671 ppm2      8.456 CV     1
 ASSI { 1921}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.200     0.600     0.600 peak  1921 spectrum    1 weight  0.11000E+01 volume  0.78122E-02 ppm1      4.671 ppm2      3.061 CV     1
 ASSI { 1925}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.000     1.100     1.100 peak  1925 spectrum    1 weight  0.11000E+01 volume  0.13744E-02 ppm1      4.515 ppm2      8.199 CV     1
 ASSI { 1929}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak  1929 spectrum    1 weight  0.11000E+01 volume  0.48418E-02 ppm1      3.824 ppm2      4.515 CV     1
 ASSI { 1933}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      2.900     1.000     1.000 peak  1933 spectrum    1 weight  0.11000E+01 volume  0.18146E-02 ppm1      4.224 ppm2      1.909 CV     1
 ASSI { 1934}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      2.600     0.900     0.900 peak  1934 spectrum    1 weight  0.11000E+01 volume  0.29558E-02 ppm1      4.224 ppm2      0.989 CV     1
 ASSI { 1935}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG12))
      2.900     2.900     3.100 peak  1935 spectrum    1 weight  0.11000E+01 volume  0.15763E-02 ppm1      4.224 ppm2      1.507 CV     1
 ASSI { 1936}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG13))
      3.300     1.400     1.400 peak  1936 spectrum    1 weight  0.11000E+01 volume  0.72948E-03 ppm1      4.224 ppm2      1.251 CV     1
 OR { 1936}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG12))
 ASSI { 1937}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HD1%)
      2.400     0.700     0.700 peak  1937 spectrum    1 weight  0.11000E+01 volume  0.46960E-02 ppm1      4.224 ppm2      0.943 CV     1
 ASSI { 1942}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HG12))
      3.500     3.500     2.500 peak  1942 spectrum    1 weight  0.11000E+01 volume  0.57462E-03 ppm1      1.909 ppm2      1.507 CV     1
 ASSI { 1943}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HG13))
      3.700     1.700     1.700 peak  1943 spectrum    1 weight  0.11000E+01 volume  0.41626E-03 ppm1      1.909 ppm2      1.251 CV     1
 OR { 1943}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HG12))
 ASSI { 1944}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HD1%)
      2.900     1.100     1.100 peak  1944 spectrum    1 weight  0.11000E+01 volume  0.15945E-02 ppm1      1.909 ppm2      0.943 CV     1
 ASSI { 1945}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      3.700     1.800     1.800 peak  1945 spectrum    1 weight  0.11000E+01 volume  0.35519E-03 ppm1      0.989 ppm2      8.268 CV     1
 ASSI { 1947}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HB  ))
      2.600     0.800     0.800 peak  1947 spectrum    1 weight  0.11000E+01 volume  0.34098E-02 ppm1      0.989 ppm2      1.909 CV     1
 ASSI { 1949}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HG12))
      3.300     3.300     2.700 peak  1949 spectrum    1 weight  0.11000E+01 volume  0.76592E-03 ppm1      0.989 ppm2      1.507 CV     1
 ASSI { 1958}
   (( segid "    " and resid 83   and name HG12))
   (  segid "    " and resid 83   and name HD1%)
      2.300     2.300     3.700 peak  1958 spectrum    1 weight  0.11000E+01 volume  0.68758E-02 ppm1      1.507 ppm2      0.943 CV     1
 ASSI { 1962}
   (( segid "    " and resid 83   and name HG12))
   (  segid "    " and resid 83   and name HG2%)
      2.700     0.900     0.900 peak  1962 spectrum    1 weight  0.11000E+01 volume  0.23451E-02 ppm1      1.251 ppm2      0.989 CV     1
 OR { 1962}
   (( segid "    " and resid 83   and name HG13))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 1969}
   (  segid "    " and resid 83   and name HD1%)
   (  segid "    " and resid 83   and name HG2%)
      1.400     0.200     0.800 peak  1969 spectrum    1 weight  0.11000E+01 volume  0.14371E+00 ppm1      0.943 ppm2      0.989 CV     1
 ASSI { 1971}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HG13))
      2.500     0.800     0.800 peak  1971 spectrum    1 weight  0.11000E+01 volume  0.36816E-02 ppm1      0.943 ppm2      1.251 CV     1
 OR { 1971}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HG12))
 ASSI { 1973}
   (( segid "    " and resid 84   and name HA1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.500     1.500 peak  1973 spectrum    1 weight  0.11000E+01 volume  0.59859E-03 ppm1      4.031 ppm2      8.375 CV     1
 ASSI { 1975}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak  1975 spectrum    1 weight  0.11000E+01 volume  0.24639E-02 ppm1      5.414 ppm2      4.565 CV     1
 ASSI { 1976}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak  1976 spectrum    1 weight  0.11000E+01 volume  0.58832E-02 ppm1      5.311 ppm2      5.184 CV     1
 ASSI { 1978}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak  1978 spectrum    1 weight  0.11000E+01 volume  0.24675E-02 ppm1      5.412 ppm2      4.486 CV     1
 ASSI { 1979}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak  1979 spectrum    1 weight  0.11000E+01 volume  0.45110E-02 ppm1      5.192 ppm2      4.651 CV     1
 ASSI { 1981}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.900     0.900 peak  1981 spectrum    1 weight  0.11000E+01 volume  0.28479E-02 ppm1      5.329 ppm2      5.168 CV     1
 ASSI { 1983}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak  1983 spectrum    1 weight  0.11000E+01 volume  0.36437E-02 ppm1      4.962 ppm2      4.225 CV     1
 ASSI { 1985}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak  1985 spectrum    1 weight  0.11000E+01 volume  0.54117E-02 ppm1      5.098 ppm2      9.202 CV     1
 ASSI { 1993}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak  1993 spectrum    1 weight  0.11000E+01 volume  0.15085E-02 ppm1      4.187 ppm2      8.005 CV     1
 ASSI { 1999}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  1999 spectrum    1 weight  0.11000E+01 volume  0.54976E-03 ppm1      3.964 ppm2      7.971 CV     1
 ASSI { 2001}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.100     1.100 peak  2001 spectrum    1 weight  0.11000E+01 volume  0.13481E-02 ppm1      3.964 ppm2      7.727 CV     1
 ASSI { 2005}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.100     1.200     1.200 peak  2005 spectrum    1 weight  0.11000E+01 volume  0.11325E-02 ppm1      4.217 ppm2      7.956 CV     1
 ASSI { 2016}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.100     1.100 peak  2016 spectrum    1 weight  0.11000E+01 volume  0.14801E-02 ppm1      4.247 ppm2      7.812 CV     1
 ASSI { 2017}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.200     0.600     0.600 peak  2017 spectrum    1 weight  0.11000E+01 volume  0.83733E-02 ppm1      4.218 ppm2      8.004 CV     1
 ASSI { 2032}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     2.800     3.200 peak  2032 spectrum    1 weight  0.11000E+01 volume  0.20900E-02 ppm1      3.832 ppm2      4.433 CV     1
 ASSI { 2033}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     1.000     1.000 peak  2033 spectrum    1 weight  0.11000E+01 volume  0.16885E-02 ppm1      2.013 ppm2      2.932 CV     1
 ASSI { 2035}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak  2035 spectrum    1 weight  0.11000E+01 volume  0.11806E-02 ppm1      1.301 ppm2      2.948 CV     1
 ASSI { 2038}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 12   and name HD2%)
      3.500     1.500     1.500 peak  2038 spectrum    1 weight  0.11000E+01 volume  0.52572E-03 ppm1      2.951 ppm2      0.723 CV     1
 ASSI { 2039}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.200     1.300     1.300 peak  2039 spectrum    1 weight  0.11000E+01 volume  0.98089E-03 ppm1      1.533 ppm2      2.959 CV     1
 ASSI { 2042}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.200     1.300     1.300 peak  2042 spectrum    1 weight  0.11000E+01 volume  0.87086E-03 ppm1      3.896 ppm2      2.989 CV     1
 ASSI { 2043}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.900     1.100     1.100 peak  2043 spectrum    1 weight  0.11000E+01 volume  0.16135E-02 ppm1      3.896 ppm2      2.549 CV     1
 ASSI { 2046}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      2.700     0.900     0.900 peak  2046 spectrum    1 weight  0.11000E+01 volume  0.25565E-02 ppm1      3.593 ppm2      2.269 CV     1
 ASSI { 2048}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      3.500     3.500     2.500 peak  2048 spectrum    1 weight  0.11000E+01 volume  0.52244E-03 ppm1      1.581 ppm2      3.306 CV     1
 ASSI { 2053}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  2053 spectrum    1 weight  0.11000E+01 volume  0.40329E-02 ppm1      4.611 ppm2      8.645 CV     1
 ASSI { 2054}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     2.900     3.100 peak  2054 spectrum    1 weight  0.11000E+01 volume  0.16273E-02 ppm1      3.007 ppm2      8.969 CV     1
 ASSI { 2056}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.100     1.100 peak  2056 spectrum    1 weight  0.11000E+01 volume  0.16273E-02 ppm1      3.007 ppm2      5.083 CV     1
 ASSI { 2057}
   (( segid "    " and resid 77   and name HB3 ))
   (  segid "    " and resid 77   and name HD% )
      3.000     1.200     1.200 peak  2057 spectrum    1 weight  0.11000E+01 volume  0.12586E-02 ppm1      3.007 ppm2      7.258 CV     1
 ASSI { 2059}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 68   and name HE% )
      3.800     1.800     1.800 peak  2059 spectrum    1 weight  0.11000E+01 volume  0.33946E-03 ppm1      3.398 ppm2      6.776 CV     1
 ASSI { 2062}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  2062 spectrum    1 weight  0.11000E+01 volume  0.43616E-03 ppm1      3.007 ppm2      9.143 CV     1
 ASSI { 2063}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak  2063 spectrum    1 weight  0.11000E+01 volume  0.41451E-03 ppm1      3.007 ppm2      8.645 CV     1
 ASSI { 2067}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 53   and name HB  ))
      3.300     1.400     1.400 peak  2067 spectrum    1 weight  0.11000E+01 volume  0.73167E-03 ppm1      3.007 ppm2      3.875 CV     1
 ASSI { 2068}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 53   and name HB  ))
      3.100     1.200     1.200 peak  2068 spectrum    1 weight  0.11000E+01 volume  0.10152E-02 ppm1      3.051 ppm2      3.868 CV     1
 ASSI { 2070}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 68   and name HE% )
      3.800     1.800     1.800 peak  2070 spectrum    1 weight  0.11000E+01 volume  0.31795E-03 ppm1      2.760 ppm2      6.768 CV     1
 ASSI { 2071}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 68   and name HD% )
      3.900     1.900     1.900 peak  2071 spectrum    1 weight  0.11000E+01 volume  0.27488E-03 ppm1      2.464 ppm2      7.282 CV     1
 ASSI { 2072}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 68   and name HE% )
      3.900     1.900     1.900 peak  2072 spectrum    1 weight  0.11000E+01 volume  0.30221E-03 ppm1      2.464 ppm2      6.768 CV     1
 ASSI { 2073}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 68   and name HD% )
      3.600     1.600     1.600 peak  2073 spectrum    1 weight  0.11000E+01 volume  0.45197E-03 ppm1      2.822 ppm2      7.282 CV     1
 ASSI { 2074}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 68   and name HE% )
      3.700     1.700     1.700 peak  2074 spectrum    1 weight  0.11000E+01 volume  0.36532E-03 ppm1      2.822 ppm2      6.783 CV     1
 ASSI { 2075}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 11   and name HD% )
      3.000     1.100     1.100 peak  2075 spectrum    1 weight  0.11000E+01 volume  0.12987E-02 ppm1      2.601 ppm2      7.025 CV     1
 ASSI { 2077}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 63   and name HG2 ))
      3.300     1.400     1.400 peak  2077 spectrum    1 weight  0.11000E+01 volume  0.71286E-03 ppm1      2.464 ppm2      1.727 CV     1
 ASSI { 2079}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
      3.300     1.300     1.300 peak  2079 spectrum    1 weight  0.11000E+01 volume  0.79653E-03 ppm1      2.822 ppm2      1.736 CV     1
 ASSI { 2081}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 68   and name HE% )
      3.100     1.200     1.200 peak  2081 spectrum    1 weight  0.11000E+01 volume  0.11754E-02 ppm1      2.089 ppm2      6.783 CV     1
 ASSI { 2082}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 68   and name HD% )
      3.000     1.100     1.100 peak  2082 spectrum    1 weight  0.11000E+01 volume  0.13132E-02 ppm1      2.089 ppm2      7.297 CV     1
 ASSI { 2083}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 68   and name HD% )
      4.100     4.100     1.900 peak  2083 spectrum    1 weight  0.11000E+01 volume  0.21513E-03 ppm1      2.412 ppm2      7.312 CV     1
 ASSI { 2084}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 68   and name HE% )
      3.100     1.200     1.200 peak  2084 spectrum    1 weight  0.11000E+01 volume  0.11194E-02 ppm1      2.412 ppm2      6.768 CV     1
 ASSI { 2085}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 68   and name HD% )
      3.500     3.500     2.500 peak  2085 spectrum    1 weight  0.11000E+01 volume  0.52076E-03 ppm1      2.505 ppm2      7.327 CV     1
 ASSI { 2086}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 68   and name HE% )
      3.100     1.200     1.200 peak  2086 spectrum    1 weight  0.11000E+01 volume  0.11908E-02 ppm1      2.505 ppm2      6.768 CV     1
 ASSI { 2087}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 59   and name HD1%)
      2.800     1.000     1.000 peak  2087 spectrum    1 weight  0.11000E+01 volume  0.21891E-02 ppm1      0.794 ppm2      0.534 CV     1
 ASSI { 2088}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 59   and name HD2%)
      2.800     1.000     1.000 peak  2088 spectrum    1 weight  0.11000E+01 volume  0.20091E-02 ppm1      0.794 ppm2      0.116 CV     1
 ASSI { 2089}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 54   and name HD2%)
      2.500     0.800     0.800 peak  2089 spectrum    1 weight  0.11000E+01 volume  0.38638E-02 ppm1      1.275 ppm2      0.801 CV     1
 ASSI { 2091}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 54   and name HD1%)
      2.800     2.800     3.200 peak  2091 spectrum    1 weight  0.11000E+01 volume  0.22125E-02 ppm1      0.532 ppm2      0.945 CV     1
 ASSI { 2092}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 54   and name HG  ))
      2.900     1.100     1.100 peak  2092 spectrum    1 weight  0.11000E+01 volume  0.15340E-02 ppm1      0.532 ppm2      1.630 CV     1
 ASSI { 2097}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 51   and name HB  ))
      2.400     0.700     0.700 peak  2097 spectrum    1 weight  0.11000E+01 volume  0.56107E-02 ppm1      1.492 ppm2      1.781 CV     1
 ASSI { 2098}
   (  segid "    " and resid 51   and name HG2%)
   (  segid "    " and resid 79   and name HB% )
      2.400     0.700     0.700 peak  2098 spectrum    1 weight  0.11000E+01 volume  0.53854E-02 ppm1      0.784 ppm2      1.477 CV     1
 ASSI { 2100}
   (  segid "    " and resid 51   and name HD1%)
   (  segid "    " and resid 79   and name HB% )
      2.200     2.200     3.800 peak  2100 spectrum    1 weight  0.11000E+01 volume  0.89928E-02 ppm1      0.727 ppm2      1.455 CV     1
 ASSI { 2103}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 13   and name HG1%)
      3.200     1.300     1.300 peak  2103 spectrum    1 weight  0.11000E+01 volume  0.96049E-03 ppm1      5.088 ppm2      0.983 CV     1
 ASSI { 2105}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      2.900     1.000     1.000 peak  2105 spectrum    1 weight  0.11000E+01 volume  0.17235E-02 ppm1      5.088 ppm2      1.747 CV     1
 ASSI { 2106}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  2106 spectrum    1 weight  0.11000E+01 volume  0.23582E-02 ppm1      0.632 ppm2      5.082 CV     1
 ASSI { 2107}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      3.200     1.300     1.300 peak  2107 spectrum    1 weight  0.11000E+01 volume  0.89126E-03 ppm1      0.632 ppm2      5.409 CV     1
 ASSI { 2108}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak  2108 spectrum    1 weight  0.11000E+01 volume  0.13147E-02 ppm1      0.632 ppm2      2.788 CV     1
 ASSI { 2109}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 11   and name HB3 ))
      3.400     1.400     1.400 peak  2109 spectrum    1 weight  0.11000E+01 volume  0.63919E-03 ppm1      0.632 ppm2      2.601 CV     1
 ASSI { 2111}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.000     1.100     1.100 peak  2111 spectrum    1 weight  0.11000E+01 volume  0.13132E-02 ppm1      5.412 ppm2      6.997 CV     1
 ASSI { 2112}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak  2112 spectrum    1 weight  0.11000E+01 volume  0.20864E-02 ppm1      1.369 ppm2      4.246 CV     1
 ASSI { 2116}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 54   and name HB3 ))
      2.500     0.800     0.800 peak  2116 spectrum    1 weight  0.11000E+01 volume  0.39629E-02 ppm1      0.120 ppm2      1.206 CV     1
 ASSI { 2117}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak  2117 spectrum    1 weight  0.11000E+01 volume  0.20186E-02 ppm1      0.120 ppm2      1.694 CV     1
 ASSI { 2118}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      3.400     1.500     1.500 peak  2118 spectrum    1 weight  0.11000E+01 volume  0.62096E-03 ppm1      1.691 ppm2      0.529 CV     1
 ASSI { 2119}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
      3.400     1.500     1.500 peak  2119 spectrum    1 weight  0.11000E+01 volume  0.62264E-03 ppm1      1.202 ppm2      0.536 CV     1
 ASSI { 2120}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 59   and name HD2%)
      2.800     1.000     1.000 peak  2120 spectrum    1 weight  0.11000E+01 volume  0.19042E-02 ppm1      1.090 ppm2      0.118 CV     1
 ASSI { 2122}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 59   and name HD2%)
      3.200     3.200     2.800 peak  2122 spectrum    1 weight  0.11000E+01 volume  0.93644E-03 ppm1      0.769 ppm2      0.129 CV     1
 ASSI { 2124}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 59   and name HD2%)
      3.200     1.300     1.300 peak  2124 spectrum    1 weight  0.11000E+01 volume  0.92478E-03 ppm1      0.935 ppm2      0.121 CV     1
 ASSI { 2126}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 52   and name HB  ))
      2.600     0.800     0.800 peak  2126 spectrum    1 weight  0.11000E+01 volume  0.32130E-02 ppm1      0.120 ppm2      1.788 CV     1
 ASSI { 2128}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 52   and name HG2%)
      2.300     0.700     0.700 peak  2128 spectrum    1 weight  0.11000E+01 volume  0.60421E-02 ppm1      0.120 ppm2      0.784 CV     1
 ASSI { 2129}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HD2 ))
      2.800     1.000     1.000 peak  2129 spectrum    1 weight  0.11000E+01 volume  0.18452E-02 ppm1      1.148 ppm2      3.975 CV     1
 ASSI { 2130}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HD3 ))
      2.900     1.000     1.000 peak  2130 spectrum    1 weight  0.11000E+01 volume  0.18029E-02 ppm1      1.148 ppm2      3.738 CV     1
 ASSI { 2132}
   (( segid "    " and resid 47   and name HD3 ))
   (  segid "    " and resid 46   and name HD1%)
      3.400     1.400     1.400 peak  2132 spectrum    1 weight  0.11000E+01 volume  0.67482E-03 ppm1      3.733 ppm2      0.983 CV     1
 ASSI { 2133}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.800     0.800 peak  2133 spectrum    1 weight  0.11000E+01 volume  0.31992E-02 ppm1      3.733 ppm2      4.375 CV     1
 ASSI { 2137}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 50   and name HG2 ))
      2.600     0.900     0.900 peak  2137 spectrum    1 weight  0.11000E+01 volume  0.30630E-02 ppm1      0.874 ppm2      2.581 CV     1
 ASSI { 2139}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 50   and name HG3 ))
      2.700     0.900     0.900 peak  2139 spectrum    1 weight  0.11000E+01 volume  0.28217E-02 ppm1      0.874 ppm2      1.746 CV     1
 ASSI { 2141}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 50   and name HB2 ))
      3.300     1.400     1.400 peak  2141 spectrum    1 weight  0.11000E+01 volume  0.71118E-03 ppm1      0.874 ppm2      1.976 CV     1
 ASSI { 2142}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 50   and name HB3 ))
      3.300     1.400     1.400 peak  2142 spectrum    1 weight  0.11000E+01 volume  0.75425E-03 ppm1      0.874 ppm2      1.861 CV     1
 ASSI { 2146}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      3.000     3.000     3.000 peak  2146 spectrum    1 weight  0.11000E+01 volume  0.13198E-02 ppm1      3.398 ppm2      0.780 CV     1
 ASSI { 2147}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 68   and name HB2 ))
      3.400     1.400     1.400 peak  2147 spectrum    1 weight  0.11000E+01 volume  0.64166E-03 ppm1      0.935 ppm2      3.393 CV     1
 ASSI { 2148}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 68   and name HB3 ))
      3.200     1.300     1.300 peak  2148 spectrum    1 weight  0.11000E+01 volume  0.87814E-03 ppm1      0.935 ppm2      2.764 CV     1
 ASSI { 2150}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     3.100     2.900 peak  2150 spectrum    1 weight  0.11000E+01 volume  0.11325E-02 ppm1      2.760 ppm2      0.780 CV     1
 ASSI { 2152}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      3.200     1.300     1.300 peak  2152 spectrum    1 weight  0.11000E+01 volume  0.96705E-03 ppm1      2.453 ppm2      0.760 CV     1
 ASSI { 2153}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 65   and name HB3 ))
      2.600     0.800     0.800 peak  2153 spectrum    1 weight  0.11000E+01 volume  0.34892E-02 ppm1      0.935 ppm2      1.850 CV     1
 ASSI { 2154}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
      3.300     1.300     1.300 peak  2154 spectrum    1 weight  0.11000E+01 volume  0.83588E-03 ppm1      0.935 ppm2      2.445 CV     1
 ASSI { 2155}
   (( segid "    " and resid 65   and name HG2 ))
   (  segid "    " and resid 70   and name HG2%)
      3.400     3.400     2.600 peak  2155 spectrum    1 weight  0.11000E+01 volume  0.66899E-03 ppm1      2.508 ppm2      0.922 CV     1
 ASSI { 2156}
   (( segid "    " and resid 65   and name HG2 ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     1.200     1.200 peak  2156 spectrum    1 weight  0.11000E+01 volume  0.10749E-02 ppm1      2.508 ppm2      0.766 CV     1
 ASSI { 2157}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 59   and name HD1%)
      3.400     1.400     1.400 peak  2157 spectrum    1 weight  0.11000E+01 volume  0.67482E-03 ppm1      0.935 ppm2      0.541 CV     1
 ASSI { 2159}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 56   and name HA2 ))
      3.100     1.200     1.200 peak  2159 spectrum    1 weight  0.11000E+01 volume  0.11477E-02 ppm1      1.024 ppm2      3.627 CV     1
 ASSI { 2160}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 56   and name HA1 ))
      3.100     3.100     2.900 peak  2160 spectrum    1 weight  0.11000E+01 volume  0.10152E-02 ppm1      1.024 ppm2      4.273 CV     1
 ASSI { 2163}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 36   and name HE3 ))
      4.500     2.500     1.500 peak  2163 spectrum    1 weight  0.11000E+01 volume  0.11820E-03 ppm1      0.778 ppm2      2.581 CV     1
 ASSI { 2164}
   (( segid "    " and resid 36   and name HE3 ))
   (  segid "    " and resid 52   and name HG1%)
      3.300     1.300     1.300 peak  2164 spectrum    1 weight  0.11000E+01 volume  0.82203E-03 ppm1      2.573 ppm2      0.936 CV     1
 ASSI { 2167}
   (( segid "    " and resid 36   and name HE2 ))
   (  segid "    " and resid 52   and name HG2%)
      3.000     3.000     3.000 peak  2167 spectrum    1 weight  0.11000E+01 volume  0.14633E-02 ppm1      2.841 ppm2      0.746 CV     1
 ASSI { 2168}
   (  segid "    " and resid 52   and name HG1%)
   (( segid "    " and resid 36   and name HE2 ))
      3.000     1.100     1.100 peak  2168 spectrum    1 weight  0.11000E+01 volume  0.13744E-02 ppm1      0.943 ppm2      2.841 CV     1
 ASSI { 2171}
   (( segid "    " and resid 28   and name HD2 ))
   (  segid "    " and resid 8    and name HD1%)
      3.400     1.400     1.400 peak  2171 spectrum    1 weight  0.11000E+01 volume  0.67228E-03 ppm1      3.344 ppm2      0.724 CV     1
 ASSI { 2172}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 58   and name HD2 ))
      2.700     0.900     0.900 peak  2172 spectrum    1 weight  0.11000E+01 volume  0.25237E-02 ppm1      0.784 ppm2      3.228 CV     1
 ASSI { 2175}
   (( segid "    " and resid 38   and name HG3 ))
   (  segid "    " and resid 37   and name HB% )
      5.200     5.200     0.800 peak  2175 spectrum    1 weight  0.11000E+01 volume  0.52470E-04 ppm1      2.703 ppm2      1.578 CV     1
 ASSI { 2176}
   (  segid "    " and resid 37   and name HB% )
   (( segid "    " and resid 38   and name HG2 ))
      3.500     1.500     1.500 peak  2176 spectrum    1 weight  0.11000E+01 volume  0.58125E-03 ppm1      1.621 ppm2      2.982 CV     1
 ASSI { 2177}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      3.100     3.100     2.900 peak  2177 spectrum    1 weight  0.11000E+01 volume  0.11624E-02 ppm1      2.052 ppm2      0.784 CV     1
 ASSI { 2179}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  2179 spectrum    1 weight  0.11000E+01 volume  0.25404E-02 ppm1      0.587 ppm2      2.052 CV     1
 ASSI { 2180}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 9    and name HB3 ))
      2.500     0.800     0.800 peak  2180 spectrum    1 weight  0.11000E+01 volume  0.44184E-02 ppm1      0.587 ppm2      1.725 CV     1
 ASSI { 2182}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
      3.100     3.100     2.900 peak  2182 spectrum    1 weight  0.11000E+01 volume  0.11391E-02 ppm1      1.727 ppm2      0.781 CV     1
 ASSI { 2183}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 42   and name HB3 ))
      3.500     3.500     2.500 peak  2183 spectrum    1 weight  0.11000E+01 volume  0.51165E-03 ppm1      0.758 ppm2      1.304 CV     1
 ASSI { 2184}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 24   and name HG  ))
      2.800     2.800     3.200 peak  2184 spectrum    1 weight  0.11000E+01 volume  0.21426E-02 ppm1      0.758 ppm2      1.580 CV     1
 ASSI { 2186}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 39   and name HD1%)
      3.000     1.100     1.100 peak  2186 spectrum    1 weight  0.11000E+01 volume  0.14007E-02 ppm1      1.581 ppm2      0.778 CV     1
 ASSI { 2187}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 42   and name HB3 ))
      2.900     2.900     3.100 peak  2187 spectrum    1 weight  0.11000E+01 volume  0.16979E-02 ppm1      0.907 ppm2      1.319 CV     1
 ASSI { 2188}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.900     0.900 peak  2188 spectrum    1 weight  0.11000E+01 volume  0.29179E-02 ppm1      0.907 ppm2      1.571 CV     1
 ASSI { 2191}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak  2191 spectrum    1 weight  0.11000E+01 volume  0.61106E-03 ppm1      0.632 ppm2      8.758 CV     1
 ASSI { 2193}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 77   and name HE% )
      3.300     1.300     1.300 peak  2193 spectrum    1 weight  0.11000E+01 volume  0.81475E-03 ppm1      0.632 ppm2      7.394 CV     1
 ASSI { 2194}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 77   and name HD% )
      3.400     1.400     1.400 peak  2194 spectrum    1 weight  0.11000E+01 volume  0.64334E-03 ppm1      0.632 ppm2      7.274 CV     1
 ASSI { 2197}
   (  segid "    " and resid 13   and name HG1%)
   (  segid "    " and resid 77   and name HD% )
      3.100     1.200     1.200 peak  2197 spectrum    1 weight  0.11000E+01 volume  0.11208E-02 ppm1      0.983 ppm2      7.285 CV     1
 ASSI { 2198}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HD% )
      2.700     0.900     0.900 peak  2198 spectrum    1 weight  0.11000E+01 volume  0.24609E-02 ppm1      4.488 ppm2      7.293 CV     1
 ASSI { 2199}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HE% )
      3.600     1.600     1.600 peak  2199 spectrum    1 weight  0.11000E+01 volume  0.47311E-03 ppm1      4.488 ppm2      6.768 CV     1
 ASSI { 2200}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 68   and name HD% )
      3.100     1.200     1.200 peak  2200 spectrum    1 weight  0.11000E+01 volume  0.10684E-02 ppm1      0.120 ppm2      7.293 CV     1
 ASSI { 2201}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 68   and name HE% )
      3.100     1.200     1.200 peak  2201 spectrum    1 weight  0.11000E+01 volume  0.11674E-02 ppm1      0.120 ppm2      6.768 CV     1
 ASSI { 2203}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.400     1.400 peak  2203 spectrum    1 weight  0.11000E+01 volume  0.72948E-03 ppm1      3.061 ppm2      4.456 CV     1
 ASSI { 2204}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 49   and name HB  ))
      3.600     3.600     2.400 peak  2204 spectrum    1 weight  0.11000E+01 volume  0.44730E-03 ppm1      3.061 ppm2      4.280 CV     1
 ASSI { 2206}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 45   and name HG2%)
      2.900     1.100     1.100 peak  2206 spectrum    1 weight  0.11000E+01 volume  0.15224E-02 ppm1      4.310 ppm2      0.867 CV     1
 ASSI { 2210}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      3.000     1.100     1.100 peak  2210 spectrum    1 weight  0.11000E+01 volume  0.14429E-02 ppm1      1.024 ppm2      8.721 CV     1
 ASSI { 2211}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak  2211 spectrum    1 weight  0.11000E+01 volume  0.38128E-02 ppm1      1.024 ppm2      4.651 CV     1
 ASSI { 2212}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 58   and name HD2 ))
      3.400     1.400     1.400 peak  2212 spectrum    1 weight  0.11000E+01 volume  0.65158E-03 ppm1      1.024 ppm2      3.231 CV     1
 ASSI { 2215}
   (( segid "    " and resid 77   and name HB3 ))
   (  segid "    " and resid 53   and name HG2%)
      3.800     1.800     1.800 peak  2215 spectrum    1 weight  0.11000E+01 volume  0.31133E-03 ppm1      3.007 ppm2      1.024 CV     1
 ASSI { 2216}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      3.500     1.600     1.600 peak  2216 spectrum    1 weight  0.11000E+01 volume  0.49417E-03 ppm1      1.024 ppm2      3.038 CV     1
 ASSI { 2229}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 65   and name HE% )
      3.300     3.300     2.700 peak  2229 spectrum    1 weight  0.11000E+01 volume  0.78996E-03 ppm1      3.914 ppm2      1.812 CV     1
 ASSI { 2230}
   (( segid "    " and resid 9    and name HD3 ))
   (  segid "    " and resid 65   and name HE% )
      3.000     3.000     3.000 peak  2230 spectrum    1 weight  0.11000E+01 volume  0.12571E-02 ppm1      3.602 ppm2      1.812 CV     1
 ASSI { 2242}
   (  segid "    " and resid 66   and name HB% )
   (  segid "    " and resid 64   and name HE% )
      3.100     1.200     1.200 peak  2242 spectrum    1 weight  0.11000E+01 volume  0.11062E-02 ppm1      1.515 ppm2      2.142 CV     1
 ASSI { 2244}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 64   and name HG2 ))
      3.600     1.600     1.600 peak  2244 spectrum    1 weight  0.11000E+01 volume  0.45372E-03 ppm1      1.515 ppm2      2.809 CV     1
 ASSI { 2245}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 64   and name HG3 ))
      3.800     1.800     1.800 peak  2245 spectrum    1 weight  0.11000E+01 volume  0.34237E-03 ppm1      1.515 ppm2      2.676 CV     1
 ASSI { 2246}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 64   and name HB2 ))
      3.100     1.200     1.200 peak  2246 spectrum    1 weight  0.11000E+01 volume  0.10502E-02 ppm1      1.515 ppm2      2.295 CV     1
 ASSI { 2252}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak  2252 spectrum    1 weight  0.11000E+01 volume  0.56136E-03 ppm1      2.703 ppm2      3.881 CV     1
 ASSI { 2253}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      2.800     1.000     1.000 peak  2253 spectrum    1 weight  0.11000E+01 volume  0.20864E-02 ppm1      3.896 ppm2      2.221 CV     1
 ASSI { 2258}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 38   and name HE% )
      2.600     0.800     0.800 peak  2258 spectrum    1 weight  0.11000E+01 volume  0.31759E-02 ppm1      0.792 ppm2      2.238 CV     1
 ASSI { 2259}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 38   and name HE% )
      3.100     1.200     1.200 peak  2259 spectrum    1 weight  0.11000E+01 volume  0.11937E-02 ppm1      0.890 ppm2      2.238 CV     1
 ASSI { 2266}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      3.100     1.200     1.200 peak  2266 spectrum    1 weight  0.11000E+01 volume  0.11076E-02 ppm1      4.387 ppm2      2.229 CV     1
 ASSI { 2268}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.200     1.200 peak  2268 spectrum    1 weight  0.11000E+01 volume  0.12469E-02 ppm1      0.727 ppm2      4.678 CV     1
 ASSI { 2269}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
      3.300     1.300     1.300 peak  2269 spectrum    1 weight  0.11000E+01 volume  0.81985E-03 ppm1      0.727 ppm2      3.060 CV     1
 ASSI { 2270}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 58   and name HD2 ))
      3.500     1.500     1.500 peak  2270 spectrum    1 weight  0.11000E+01 volume  0.52324E-03 ppm1      0.727 ppm2      3.233 CV     1
 ASSI { 2272}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      3.900     1.900     1.900 peak  2272 spectrum    1 weight  0.11000E+01 volume  0.29514E-03 ppm1      0.821 ppm2      4.579 CV     1
 ASSI { 2274}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 43   and name HB  ))
      2.700     0.900     0.900 peak  2274 spectrum    1 weight  0.11000E+01 volume  0.24275E-02 ppm1      0.821 ppm2      4.153 CV     1
 ASSI { 2275}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 45   and name HG12))
      2.900     1.100     1.100 peak  2275 spectrum    1 weight  0.11000E+01 volume  0.15202E-02 ppm1      4.158 ppm2      1.389 CV     1
 ASSI { 2276}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 45   and name HB  ))
      3.500     1.500     1.500 peak  2276 spectrum    1 weight  0.11000E+01 volume  0.56712E-03 ppm1      4.158 ppm2      1.612 CV     1
 ASSI { 2279}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 47   and name HD2 ))
      3.700     1.700     1.700 peak  2279 spectrum    1 weight  0.11000E+01 volume  0.39754E-03 ppm1      0.981 ppm2      3.986 CV     1
 ASSI { 2281}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 46   and name HD1%)
      3.500     1.500     1.500 peak  2281 spectrum    1 weight  0.11000E+01 volume  0.55552E-03 ppm1      2.128 ppm2      0.981 CV     1
 ASSI { 2282}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 46   and name HD1%)
      3.500     1.500     1.500 peak  2282 spectrum    1 weight  0.11000E+01 volume  0.54976E-03 ppm1      2.042 ppm2      0.967 CV     1
 ASSI { 2284}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 46   and name HD1%)
      3.100     3.100     2.900 peak  2284 spectrum    1 weight  0.11000E+01 volume  0.11660E-02 ppm1      2.292 ppm2      0.952 CV     1
 ASSI { 2285}
   (  segid "    " and resid 46   and name HD1%)
   (( segid "    " and resid 48   and name HG2 ))
      3.100     1.200     1.200 peak  2285 spectrum    1 weight  0.11000E+01 volume  0.11674E-02 ppm1      0.981 ppm2      2.374 CV     1
 ASSI { 2286}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.700     1.700     1.700 peak  2286 spectrum    1 weight  0.11000E+01 volume  0.40162E-03 ppm1      1.148 ppm2      7.956 CV     1
 ASSI { 2288}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 48   and name HG2 ))
      3.400     1.400     1.400 peak  2288 spectrum    1 weight  0.11000E+01 volume  0.63336E-03 ppm1      1.148 ppm2      2.374 CV     1
 ASSI { 2292}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak  2292 spectrum    1 weight  0.11000E+01 volume  0.21571E-03 ppm1      0.762 ppm2      7.769 CV     1
 ASSI { 2293}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak  2293 spectrum    1 weight  0.11000E+01 volume  0.35104E-03 ppm1      0.935 ppm2      4.552 CV     1
 ASSI { 2294}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 37   and name HB% )
      2.600     0.800     0.800 peak  2294 spectrum    1 weight  0.11000E+01 volume  0.34805E-02 ppm1      4.136 ppm2      1.621 CV     1
 ASSI { 2296}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 37   and name HB% )
      3.700     1.800     1.800 peak  2296 spectrum    1 weight  0.11000E+01 volume  0.35723E-03 ppm1      4.246 ppm2      1.621 CV     1
 ASSI { 2297}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  2297 spectrum    1 weight  0.11000E+01 volume  0.95758E-03 ppm1      2.243 ppm2      4.351 CV     1
 ASSI { 2299}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 68   and name HE% )
      3.200     1.300     1.300 peak  2299 spectrum    1 weight  0.11000E+01 volume  0.97799E-03 ppm1      3.934 ppm2      6.766 CV     1
 ASSI { 2302}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak  2302 spectrum    1 weight  0.11000E+01 volume  0.10895E-02 ppm1      1.090 ppm2      3.932 CV     1
 ASSI { 2303}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak  2303 spectrum    1 weight  0.11000E+01 volume  0.94592E-03 ppm1      0.769 ppm2      3.917 CV     1
 ASSI { 2304}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 61   and name HA  ))
      3.500     1.500     1.500 peak  2304 spectrum    1 weight  0.11000E+01 volume  0.53650E-03 ppm1      1.090 ppm2      4.267 CV     1
 ASSI { 2305}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      2.800     1.000     1.000 peak  2305 spectrum    1 weight  0.11000E+01 volume  0.18758E-02 ppm1      4.272 ppm2      0.782 CV     1
 ASSI { 2310}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 68   and name HD% )
      3.300     1.400     1.400 peak  2310 spectrum    1 weight  0.11000E+01 volume  0.76665E-03 ppm1      1.090 ppm2      7.295 CV     1
 ASSI { 2311}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 68   and name HE% )
      2.600     0.800     0.800 peak  2311 spectrum    1 weight  0.11000E+01 volume  0.35782E-02 ppm1      1.090 ppm2      6.762 CV     1
 ASSI { 2312}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      3.300     1.400     1.400 peak  2312 spectrum    1 weight  0.11000E+01 volume  0.77393E-03 ppm1      5.311 ppm2      1.087 CV     1
 ASSI { 2313}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      3.900     1.900     1.900 peak  2313 spectrum    1 weight  0.11000E+01 volume  0.27941E-03 ppm1      5.311 ppm2      0.782 CV     1
 ASSI { 2317}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 81   and name HB2 ))
      3.500     1.600     1.600 peak  2317 spectrum    1 weight  0.11000E+01 volume  0.49941E-03 ppm1      1.254 ppm2      3.071 CV     1
 ASSI { 2320}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  2320 spectrum    1 weight  0.11000E+01 volume  0.40278E-03 ppm1      1.254 ppm2      8.187 CV     1
 ASSI { 2322}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      3.900     1.900     1.900 peak  2322 spectrum    1 weight  0.11000E+01 volume  0.26330E-03 ppm1      1.254 ppm2      9.210 CV     1
 ASSI { 2323}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 48   and name HG2 ))
      3.200     1.300     1.300 peak  2323 spectrum    1 weight  0.11000E+01 volume  0.89199E-03 ppm1      1.254 ppm2      2.374 CV     1
 ASSI { 2324}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
      3.200     3.200     2.800 peak  2324 spectrum    1 weight  0.11000E+01 volume  0.96851E-03 ppm1      1.254 ppm2      2.128 CV     1
 ASSI { 2325}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 49   and name HG2%)
      3.800     1.800     1.800 peak  2325 spectrum    1 weight  0.11000E+01 volume  0.33450E-03 ppm1      2.128 ppm2      1.254 CV     1
 ASSI { 2326}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 49   and name HG2%)
      4.000     2.000     2.000 peak  2326 spectrum    1 weight  0.11000E+01 volume  0.25871E-03 ppm1      2.042 ppm2      1.254 CV     1
 ASSI { 2328}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 49   and name HG2%)
      3.600     1.600     1.600 peak  2328 spectrum    1 weight  0.11000E+01 volume  0.45372E-03 ppm1      2.292 ppm2      1.254 CV     1
 ASSI { 2329}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 11   and name HD% )
      3.500     1.500     1.500 peak  2329 spectrum    1 weight  0.11000E+01 volume  0.56463E-03 ppm1      0.587 ppm2      7.009 CV     1
 ASSI { 2330}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.400     1.400 peak  2330 spectrum    1 weight  0.11000E+01 volume  0.70207E-03 ppm1      0.587 ppm2      4.664 CV     1
 ASSI { 2331}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 11   and name HE% )
      3.000     3.000     3.000 peak  2331 spectrum    1 weight  0.11000E+01 volume  0.14029E-02 ppm1      0.587 ppm2      7.307 CV     1
 ASSI { 2334}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.500     3.500     2.500 peak  2334 spectrum    1 weight  0.11000E+01 volume  0.56631E-03 ppm1      0.587 ppm2      5.389 CV     1
 ASSI { 2335}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
      3.500     1.600     1.600 peak  2335 spectrum    1 weight  0.11000E+01 volume  0.50882E-03 ppm1      5.412 ppm2      0.796 CV     1
 ASSI { 2336}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak  2336 spectrum    1 weight  0.11000E+01 volume  0.13861E-02 ppm1      0.935 ppm2     10.283 CV     1
 ASSI { 2337}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 77   and name HD% )
      3.700     3.700     2.300 peak  2337 spectrum    1 weight  0.11000E+01 volume  0.37473E-03 ppm1      0.935 ppm2      7.315 CV     1
 ASSI { 2338}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HD2 ))
      2.400     0.700     0.700 peak  2338 spectrum    1 weight  0.11000E+01 volume  0.56304E-02 ppm1      4.363 ppm2      3.976 CV     1
 ASSI { 2340}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 66   and name HB% )
      3.300     3.300     2.700 peak  2340 spectrum    1 weight  0.11000E+01 volume  0.74332E-03 ppm1      3.820 ppm2      1.488 CV     1
 ASSI { 2342}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      2.900     2.900     3.100 peak  2342 spectrum    1 weight  0.11000E+01 volume  0.16907E-02 ppm1      3.820 ppm2      0.934 CV     1
 ASSI { 2343}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      2.700     0.900     0.900 peak  2343 spectrum    1 weight  0.11000E+01 volume  0.25273E-02 ppm1      3.820 ppm2      0.745 CV     1
 ASSI { 2346}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
      3.300     3.300     2.700 peak  2346 spectrum    1 weight  0.11000E+01 volume  0.74915E-03 ppm1      4.962 ppm2      3.795 CV     1
 ASSI { 2349}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.100     1.200     1.200 peak  2349 spectrum    1 weight  0.11000E+01 volume  0.11690E-02 ppm1      3.820 ppm2      2.457 CV     1
 ASSI { 2350}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     3.800     2.200 peak  2350 spectrum    1 weight  0.11000E+01 volume  0.34812E-03 ppm1      1.727 ppm2      9.292 CV     1
 ASSI { 2353}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 73   and name HN  ))
      4.100     4.100     1.900 peak  2353 spectrum    1 weight  0.11000E+01 volume  0.21658E-03 ppm1      2.163 ppm2      9.218 CV     1
 ASSI { 2354}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      3.700     3.700     2.300 peak  2354 spectrum    1 weight  0.11000E+01 volume  0.40693E-03 ppm1      0.809 ppm2      9.231 CV     1
 ASSI { 2358}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      3.500     1.500     1.500 peak  2358 spectrum    1 weight  0.11000E+01 volume  0.52244E-03 ppm1      5.414 ppm2      6.750 CV     1
 ASSI { 2360}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 13   and name HG1%)
      3.600     1.600     1.600 peak  2360 spectrum    1 weight  0.11000E+01 volume  0.48068E-03 ppm1      5.414 ppm2      0.983 CV     1
 ASSI { 2362}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak  2362 spectrum    1 weight  0.11000E+01 volume  0.26039E-03 ppm1      1.413 ppm2      8.601 CV     1
 ASSI { 2366}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.300     3.300     2.700 peak  2366 spectrum    1 weight  0.11000E+01 volume  0.75645E-03 ppm1      0.778 ppm2      5.145 CV     1
 ASSI { 2367}
   (  segid "    " and resid 52   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  2367 spectrum    1 weight  0.11000E+01 volume  0.10450E-02 ppm1      0.943 ppm2      5.160 CV     1
 ASSI { 2369}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      3.600     3.600     2.400 peak  2369 spectrum    1 weight  0.11000E+01 volume  0.44906E-03 ppm1      5.412 ppm2      0.604 CV     1
 ASSI { 2372}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
      3.600     1.600     1.600 peak  2372 spectrum    1 weight  0.11000E+01 volume  0.42916E-03 ppm1      2.601 ppm2      5.082 CV     1
 ASSI { 2374}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak  2374 spectrum    1 weight  0.11000E+01 volume  0.66652E-03 ppm1      5.087 ppm2      2.788 CV     1
 ASSI { 2378}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  2378 spectrum    1 weight  0.11000E+01 volume  0.40999E-02 ppm1      0.864 ppm2      2.788 CV     1
 ASSI { 2379}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 11   and name HB3 ))
      2.900     1.000     1.000 peak  2379 spectrum    1 weight  0.11000E+01 volume  0.17351E-02 ppm1      0.864 ppm2      2.597 CV     1
 ASSI { 2380}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 75   and name HB2 ))
      3.200     3.200     2.800 peak  2380 spectrum    1 weight  0.11000E+01 volume  0.10079E-02 ppm1      2.601 ppm2      1.686 CV     1
 ASSI { 2382}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.900     1.900     1.900 peak  2382 spectrum    1 weight  0.11000E+01 volume  0.29099E-03 ppm1      1.694 ppm2      2.788 CV     1
 ASSI { 2383}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 77   and name HE% )
      3.300     1.300     1.300 peak  2383 spectrum    1 weight  0.11000E+01 volume  0.78705E-03 ppm1      1.694 ppm2      7.370 CV     1
 ASSI { 2384}
   (( segid "    " and resid 75   and name HB3 ))
   (  segid "    " and resid 77   and name HE% )
      3.500     1.500     1.500 peak  2384 spectrum    1 weight  0.11000E+01 volume  0.55393E-03 ppm1      0.965 ppm2      7.370 CV     1
 ASSI { 2385}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     3.300     2.700 peak  2385 spectrum    1 weight  0.11000E+01 volume  0.73385E-03 ppm1      1.188 ppm2      9.115 CV     1
 ASSI { 2387}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak  2387 spectrum    1 weight  0.11000E+01 volume  0.47951E-03 ppm1      1.301 ppm2      9.191 CV     1
 ASSI { 2392}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HB2 ))
      1.900     0.400     0.400 peak  2392 spectrum    1 weight  0.11000E+01 volume  0.23830E-01 ppm1      2.612 ppm2      2.712 CV     1
 ASSI { 2394}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     2.700     3.300 peak  2394 spectrum    1 weight  0.11000E+01 volume  0.26957E-02 ppm1      2.612 ppm2      4.248 CV     1
 ASSI { 2395}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.000     1.000 peak  2395 spectrum    1 weight  0.11000E+01 volume  0.16907E-02 ppm1      2.612 ppm2      8.574 CV     1
 ASSI { 2397}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.000     1.000 peak  2397 spectrum    1 weight  0.11000E+01 volume  0.18103E-02 ppm1      0.874 ppm2      8.194 CV     1
 ASSI { 2399}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 50   and name HE21))
      3.400     1.400     1.400 peak  2399 spectrum    1 weight  0.11000E+01 volume  0.67643E-03 ppm1      0.874 ppm2      6.979 CV     1
 ASSI { 2405}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  2405 spectrum    1 weight  0.11000E+01 volume  0.11259E-02 ppm1      2.394 ppm2      4.336 CV     1
 ASSI { 2413}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak  2413 spectrum    1 weight  0.11000E+01 volume  0.20136E-03 ppm1      0.587 ppm2      9.336 CV     1
 ASSI { 2414}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
      5.100     3.200     0.900 peak  2414 spectrum    1 weight  0.11000E+01 volume  0.58591E-04 ppm1      1.265 ppm2      9.336 CV     1
 ASSI { 2416}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 11   and name HD% )
      3.000     1.100     1.100 peak  2416 spectrum    1 weight  0.11000E+01 volume  0.13001E-02 ppm1      0.864 ppm2      7.017 CV     1
 ASSI { 2417}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 11   and name HE% )
      3.100     1.200     1.200 peak  2417 spectrum    1 weight  0.11000E+01 volume  0.10582E-02 ppm1      0.864 ppm2      7.355 CV     1
 ASSI { 2418}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak  2418 spectrum    1 weight  0.11000E+01 volume  0.93936E-03 ppm1      4.657 ppm2      2.788 CV     1
 ASSI { 2420}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     3.400     2.600 peak  2420 spectrum    1 weight  0.11000E+01 volume  0.64909E-03 ppm1      2.601 ppm2      4.657 CV     1
 ASSI { 2421}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HE1 ))
      3.900     1.900     1.900 peak  2421 spectrum    1 weight  0.11000E+01 volume  0.28275E-03 ppm1      2.951 ppm2      7.804 CV     1
 ASSI { 2424}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 46   and name HB  ))
      2.800     1.000     1.000 peak  2424 spectrum    1 weight  0.11000E+01 volume  0.19203E-02 ppm1      3.733 ppm2      2.147 CV     1
 ASSI { 2426}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.100     1.200     1.200 peak  2426 spectrum    1 weight  0.11000E+01 volume  0.11595E-02 ppm1      2.149 ppm2      3.986 CV     1
 ASSI { 2428}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.600     1.600 peak  2428 spectrum    1 weight  0.11000E+01 volume  0.44789E-03 ppm1      2.149 ppm2      9.210 CV     1
 ASSI { 2429}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak  2429 spectrum    1 weight  0.11000E+01 volume  0.25994E-03 ppm1      1.999 ppm2      9.109 CV     1
 ASSI { 2434}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak  2434 spectrum    1 weight  0.11000E+01 volume  0.10844E-02 ppm1      0.822 ppm2      8.571 CV     1
 ASSI { 2435}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.300     1.300     1.300 peak  2435 spectrum    1 weight  0.11000E+01 volume  0.80818E-03 ppm1      0.724 ppm2      8.571 CV     1
 ASSI { 2436}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  2436 spectrum    1 weight  0.11000E+01 volume  0.26096E-02 ppm1      0.949 ppm2      9.024 CV     1
 ASSI { 2437}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak  2437 spectrum    1 weight  0.11000E+01 volume  0.73895E-03 ppm1      0.949 ppm2      5.329 CV     1
 ASSI { 2438}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB  ))
      2.600     2.600     3.400 peak  2438 spectrum    1 weight  0.11000E+01 volume  0.29325E-02 ppm1      0.949 ppm2      1.775 CV     1
 ASSI { 2439}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 52   and name HG2%)
      2.000     2.000     4.000 peak  2439 spectrum    1 weight  0.11000E+01 volume  0.15085E-01 ppm1      0.949 ppm2      0.785 CV     1
 ASSI { 2440}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  2440 spectrum    1 weight  0.11000E+01 volume  0.19458E-02 ppm1      0.949 ppm2      4.051 CV     1
 ASSI { 2442}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      3.800     1.800     1.800 peak  2442 spectrum    1 weight  0.11000E+01 volume  0.34645E-03 ppm1      0.949 ppm2      7.320 CV     1
 ASSI { 2455}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     3.600     2.400 peak  2455 spectrum    1 weight  0.11000E+01 volume  0.43914E-03 ppm1      2.589 ppm2      3.942 CV     1
 ASSI { 2464}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak  2464 spectrum    1 weight  0.11000E+01 volume  0.95904E-03 ppm1      2.158 ppm2      8.640 CV     1
 ASSI { 2468}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  2468 spectrum    1 weight  0.11000E+01 volume  0.46079E-03 ppm1      1.538 ppm2      8.043 CV     1
 ASSI { 2473}
   (  segid "    " and resid 37   and name HB% )
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak  2473 spectrum    1 weight  0.11000E+01 volume  0.46953E-03 ppm1      1.621 ppm2      8.233 CV     1
 ASSI { 2475}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak  2475 spectrum    1 weight  0.11000E+01 volume  0.18481E-02 ppm1      0.784 ppm2      8.916 CV     1
 ASSI { 2488}
   (  segid "    " and resid 39   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak  2488 spectrum    1 weight  0.11000E+01 volume  0.21862E-02 ppm1      0.758 ppm2      4.431 CV     1
 ASSI { 2490}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 44   and name HA2 ))
      3.100     1.200     1.200 peak  2490 spectrum    1 weight  0.11000E+01 volume  0.10552E-02 ppm1      0.821 ppm2      3.843 CV     1
 ASSI { 2491}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
      3.900     3.900     2.100 peak  2491 spectrum    1 weight  0.11000E+01 volume  0.27401E-03 ppm1      0.727 ppm2      3.795 CV     1
 ASSI { 2492}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
      3.600     3.600     2.400 peak  2492 spectrum    1 weight  0.11000E+01 volume  0.43208E-03 ppm1      0.727 ppm2      4.845 CV     1
 ASSI { 2496}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 29   and name HA  ))
      3.200     1.200     1.200 peak  2496 spectrum    1 weight  0.11000E+01 volume  0.10079E-02 ppm1      1.515 ppm2      4.450 CV     1
 ASSI { 2497}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 28   and name HD2 ))
      3.400     1.400     1.400 peak  2497 spectrum    1 weight  0.11000E+01 volume  0.64166E-03 ppm1      1.515 ppm2      3.361 CV     1
 ASSI { 2498}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 28   and name HB2 ))
      2.700     2.700     3.300 peak  2498 spectrum    1 weight  0.11000E+01 volume  0.23247E-02 ppm1      1.515 ppm2      1.916 CV     1
 ASSI { 2501}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 50   and name HE22))
      3.600     3.600     2.400 peak  2501 spectrum    1 weight  0.11000E+01 volume  0.46720E-03 ppm1      0.907 ppm2      6.753 CV     1
 ASSI { 2502}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 51   and name HA  ))
      3.500     3.500     2.500 peak  2502 spectrum    1 weight  0.11000E+01 volume  0.51909E-03 ppm1      1.492 ppm2      4.200 CV     1
 ASSI { 2503}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 15   and name HB2 ))
      3.100     1.200     1.200 peak  2503 spectrum    1 weight  0.11000E+01 volume  0.11638E-02 ppm1      1.492 ppm2      4.036 CV     1
 ASSI { 2504}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 51   and name HG12))
      3.000     3.000     3.000 peak  2504 spectrum    1 weight  0.11000E+01 volume  0.13460E-02 ppm1      1.492 ppm2      0.935 CV     1
 ASSI { 2505}
   (  segid "    " and resid 79   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.300     1.300 peak  2505 spectrum    1 weight  0.11000E+01 volume  0.88616E-03 ppm1      1.492 ppm2      5.154 CV     1
 ASSI { 2508}
   (  segid "    " and resid 49   and name HG2%)
   (  segid "    " and resid 45   and name HG2%)
      2.600     2.600     3.400 peak  2508 spectrum    1 weight  0.11000E+01 volume  0.31337E-02 ppm1      1.254 ppm2      0.856 CV     1
 ASSI { 2514}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 61   and name HA  ))
      3.200     1.300     1.300 peak  2514 spectrum    1 weight  0.11000E+01 volume  0.98089E-03 ppm1      1.538 ppm2      4.277 CV     1
 ASSI { 2515}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HB3 ))
      2.900     1.000     1.000 peak  2515 spectrum    1 weight  0.11000E+01 volume  0.18291E-02 ppm1      0.890 ppm2      3.908 CV     1
 ASSI { 2521}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 9    and name HD3 ))
      3.500     3.500     2.500 peak  2521 spectrum    1 weight  0.11000E+01 volume  0.51501E-03 ppm1      1.601 ppm2      3.583 CV     1
 ASSI { 2522}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 9    and name HD3 ))
      3.700     1.700     1.700 peak  2522 spectrum    1 weight  0.11000E+01 volume  0.37297E-03 ppm1      1.485 ppm2      3.593 CV     1
 ASSI { 2523}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
      3.300     3.300     2.700 peak  2523 spectrum    1 weight  0.11000E+01 volume  0.73385E-03 ppm1      1.179 ppm2      3.573 CV     1
 ASSI { 2530}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.600     1.600 peak  2530 spectrum    1 weight  0.11000E+01 volume  0.46253E-03 ppm1      0.532 ppm2      3.583 CV     1
 ASSI { 2533}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.700     1.700 peak  2533 spectrum    1 weight  0.11000E+01 volume  0.42275E-03 ppm1      0.532 ppm2      5.192 CV     1
 ASSI { 2534}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 68   and name HE% )
      3.800     3.800     2.200 peak  2534 spectrum    1 weight  0.11000E+01 volume  0.33778E-03 ppm1      0.532 ppm2      6.753 CV     1
 ASSI { 2538}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.000     1.000 peak  2538 spectrum    1 weight  0.11000E+01 volume  0.20733E-02 ppm1      1.093 ppm2      2.495 CV     1
 ASSI { 2540}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 68   and name HD% )
      3.300     3.300     2.700 peak  2540 spectrum    1 weight  0.11000E+01 volume  0.72598E-03 ppm1      0.794 ppm2      7.268 CV     1
 ASSI { 2542}
   (( segid "    " and resid 38   and name HG2 ))
   (  segid "    " and resid 24   and name HD2%)
      3.700     1.700     1.700 peak  2542 spectrum    1 weight  0.11000E+01 volume  0.39987E-03 ppm1      2.988 ppm2      0.779 CV     1
 ASSI { 2543}
   (( segid "    " and resid 38   and name HG3 ))
   (  segid "    " and resid 24   and name HD2%)
      3.500     1.500     1.500 peak  2543 spectrum    1 weight  0.11000E+01 volume  0.52076E-03 ppm1      2.703 ppm2      0.764 CV     1
 ASSI { 2545}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     2.800     3.200 peak  2545 spectrum    1 weight  0.11000E+01 volume  0.20565E-02 ppm1      2.412 ppm2      9.241 CV     1
 ASSI { 2546}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak  2546 spectrum    1 weight  0.11000E+01 volume  0.13715E-02 ppm1      2.505 ppm2      9.222 CV     1
 ASSI { 2554}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.200     1.300     1.300 peak  2554 spectrum    1 weight  0.11000E+01 volume  0.84535E-03 ppm1      2.089 ppm2      8.882 CV     1
 ASSI { 2557}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.400     1.400 peak  2557 spectrum    1 weight  0.11000E+01 volume  0.76008E-03 ppm1      2.563 ppm2      8.003 CV     1
 ASSI { 2562}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.600     1.600     1.600 peak  2562 spectrum    1 weight  0.11000E+01 volume  0.45904E-03 ppm1      2.383 ppm2      6.746 CV     1
 ASSI { 2563}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.600     1.700     1.700 peak  2563 spectrum    1 weight  0.11000E+01 volume  0.42333E-03 ppm1      2.214 ppm2      6.737 CV     1
 ASSI { 2569}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      3.600     1.700     1.700 peak  2569 spectrum    1 weight  0.11000E+01 volume  0.42800E-03 ppm1      3.131 ppm2      7.956 CV     1
 ASSI { 2571}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak  2571 spectrum    1 weight  0.11000E+01 volume  0.45904E-03 ppm1      2.464 ppm2      9.232 CV     1
 ASSI { 2576}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.600     1.600     1.600 peak  2576 spectrum    1 weight  0.11000E+01 volume  0.45489E-03 ppm1      1.259 ppm2      8.088 CV     1
 ASSI { 2578}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      3.900     1.900     1.900 peak  2578 spectrum    1 weight  0.11000E+01 volume  0.28188E-03 ppm1      1.490 ppm2      4.651 CV     1
 ASSI { 2579}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  2579 spectrum    1 weight  0.11000E+01 volume  0.23677E-03 ppm1      1.259 ppm2      4.651 CV     1
 ASSI { 2581}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     1.500     1.500 peak  2581 spectrum    1 weight  0.11000E+01 volume  0.54314E-03 ppm1      1.523 ppm2      9.127 CV     1
 ASSI { 2582}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 11   and name HE% )
      3.800     1.800     1.800 peak  2582 spectrum    1 weight  0.11000E+01 volume  0.33078E-03 ppm1      1.777 ppm2      7.370 CV     1
 ASSI { 2583}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.800     3.800     2.200 peak  2583 spectrum    1 weight  0.11000E+01 volume  0.32452E-03 ppm1      1.777 ppm2      4.894 CV     1
 ASSI { 2584}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      3.900     3.900     2.100 peak  2584 spectrum    1 weight  0.11000E+01 volume  0.28524E-03 ppm1      1.523 ppm2      4.885 CV     1
 ASSI { 2585}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 11   and name HE% )
      3.700     1.700     1.700 peak  2585 spectrum    1 weight  0.11000E+01 volume  0.40635E-03 ppm1      1.523 ppm2      7.351 CV     1
 ASSI { 2588}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HD2 ))
      3.000     1.100     1.100 peak  2588 spectrum    1 weight  0.11000E+01 volume  0.12717E-02 ppm1      1.064 ppm2      3.901 CV     1
 ASSI { 2595}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 65   and name HE% )
      3.400     3.400     2.600 peak  2595 spectrum    1 weight  0.11000E+01 volume  0.64494E-03 ppm1      1.064 ppm2      1.836 CV     1
 ASSI { 2596}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.200     1.300     1.300 peak  2596 spectrum    1 weight  0.11000E+01 volume  0.87450E-03 ppm1      3.602 ppm2      1.046 CV     1
 ASSI { 2597}
   (( segid "    " and resid 9    and name HD3 ))
   (  segid "    " and resid 8    and name HD2%)
      3.300     1.400     1.400 peak  2597 spectrum    1 weight  0.11000E+01 volume  0.78122E-03 ppm1      3.602 ppm2      0.805 CV     1
 ASSI { 2599}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 8    and name HD2%)
      3.200     1.300     1.300 peak  2599 spectrum    1 weight  0.11000E+01 volume  0.84681E-03 ppm1      3.914 ppm2      0.819 CV     1
 ASSI { 2606}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 52   and name HG2%)
      2.800     1.000     1.000 peak  2606 spectrum    1 weight  0.11000E+01 volume  0.19180E-02 ppm1      1.490 ppm2      0.764 CV     1
 ASSI { 2607}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 59   and name HB3 ))
      2.600     0.800     0.800 peak  2607 spectrum    1 weight  0.11000E+01 volume  0.33581E-02 ppm1      0.778 ppm2      1.246 CV     1
 ASSI { 2609}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 52   and name HG1%)
      3.600     1.600     1.600 peak  2609 spectrum    1 weight  0.11000E+01 volume  0.43674E-03 ppm1      1.490 ppm2      0.943 CV     1
 ASSI { 2610}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 52   and name HG1%)
      3.700     1.700     1.700 peak  2610 spectrum    1 weight  0.11000E+01 volume  0.41334E-03 ppm1      1.259 ppm2      0.943 CV     1
 ASSI { 2614}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.900     1.100     1.100 peak  2614 spectrum    1 weight  0.11000E+01 volume  0.16273E-02 ppm1      1.788 ppm2      1.270 CV     1
 ASSI { 2615}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  2615 spectrum    1 weight  0.11000E+01 volume  0.12767E-02 ppm1      1.788 ppm2      1.496 CV     1
 ASSI { 2619}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 24   and name HG  ))
      3.500     3.500     2.500 peak  2619 spectrum    1 weight  0.11000E+01 volume  0.49475E-03 ppm1      5.412 ppm2      1.602 CV     1
 ASSI { 2627}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak  2627 spectrum    1 weight  0.11000E+01 volume  0.94154E-03 ppm1      5.184 ppm2      2.305 CV     1
 ASSI { 2628}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.200     3.200     2.800 peak  2628 spectrum    1 weight  0.11000E+01 volume  0.10035E-02 ppm1      5.184 ppm2      2.117 CV     1
 ASSI { 2629}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      3.600     1.600     1.600 peak  2629 spectrum    1 weight  0.11000E+01 volume  0.46545E-03 ppm1      3.899 ppm2      2.336 CV     1
 ASSI { 2630}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 9    and name HD3 ))
      2.900     1.100     1.100 peak  2630 spectrum    1 weight  0.11000E+01 volume  0.15902E-02 ppm1      3.899 ppm2      3.618 CV     1
 ASSI { 2631}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.000     1.100     1.100 peak  2631 spectrum    1 weight  0.11000E+01 volume  0.12688E-02 ppm1      3.899 ppm2      1.702 CV     1
 ASSI { 2632}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      3.000     1.100     1.100 peak  2632 spectrum    1 weight  0.11000E+01 volume  0.13300E-02 ppm1      3.899 ppm2      1.055 CV     1
 ASSI { 2634}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 8    and name HD1%)
      3.000     1.100     1.100 peak  2634 spectrum    1 weight  0.11000E+01 volume  0.13824E-02 ppm1      3.899 ppm2      0.747 CV     1
 ASSI { 2637}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      3.100     1.200     1.200 peak  2637 spectrum    1 weight  0.11000E+01 volume  0.10552E-02 ppm1      5.192 ppm2      0.809 CV     1
 ASSI { 2640}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      3.300     3.300     2.700 peak  2640 spectrum    1 weight  0.11000E+01 volume  0.80673E-03 ppm1      5.192 ppm2      1.683 CV     1
 ASSI { 2642}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      3.500     1.600     1.600 peak  2642 spectrum    1 weight  0.11000E+01 volume  0.49417E-03 ppm1      3.964 ppm2      1.613 CV     1
 ASSI { 2644}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      3.600     1.600     1.600 peak  2644 spectrum    1 weight  0.11000E+01 volume  0.48185E-03 ppm1      3.964 ppm2      0.742 CV     1
 ASSI { 2649}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 50   and name HE22))
      3.700     1.700     1.700 peak  2649 spectrum    1 weight  0.11000E+01 volume  0.40810E-03 ppm1      3.964 ppm2      6.789 CV     1
 ASSI { 2650}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 50   and name HE21))
      3.600     1.600     1.600 peak  2650 spectrum    1 weight  0.11000E+01 volume  0.47951E-03 ppm1      3.964 ppm2      6.981 CV     1
 ASSI { 2659}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 35   and name HG1%)
      3.100     1.200     1.200 peak  2659 spectrum    1 weight  0.11000E+01 volume  0.10130E-02 ppm1      3.908 ppm2      1.178 CV     1
 ASSI { 2668}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HE21))
      3.100     3.100     2.900 peak  2668 spectrum    1 weight  0.11000E+01 volume  0.10779E-02 ppm1      4.045 ppm2      7.002 CV     1
 ASSI { 2669}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HE22))
      3.200     3.200     2.800 peak  2669 spectrum    1 weight  0.11000E+01 volume  0.97216E-03 ppm1      4.045 ppm2      6.817 CV     1
 ASSI { 2670}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.300     1.400     1.400 peak  2670 spectrum    1 weight  0.11000E+01 volume  0.75280E-03 ppm1      3.896 ppm2      2.110 CV     1
 ASSI { 2673}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.400     3.400     2.600 peak  2673 spectrum    1 weight  0.11000E+01 volume  0.66236E-03 ppm1      3.335 ppm2      1.322 CV     1
 ASSI { 2674}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HA  ))
      4.000     4.000     2.000 peak  2674 spectrum    1 weight  0.11000E+01 volume  0.25171E-03 ppm1      3.335 ppm2      3.843 CV     1
 ASSI { 2675}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HA  ))
      3.700     1.700     1.700 peak  2675 spectrum    1 weight  0.11000E+01 volume  0.41334E-03 ppm1      3.335 ppm2      4.247 CV     1
 ASSI { 2676}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.100     3.100     2.900 peak  2676 spectrum    1 weight  0.11000E+01 volume  0.12185E-02 ppm1      4.045 ppm2      2.548 CV     1
 ASSI { 2678}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 77   and name HD% )
      3.800     3.800     2.200 peak  2678 spectrum    1 weight  0.11000E+01 volume  0.33158E-03 ppm1      3.874 ppm2      7.296 CV     1
 ASSI { 2691}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak  2691 spectrum    1 weight  0.11000E+01 volume  0.40869E-03 ppm1      2.817 ppm2      8.839 CV     1
 ASSI { 2697}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 68   and name HD% )
      3.900     1.900     1.900 peak  2697 spectrum    1 weight  0.11000E+01 volume  0.27488E-03 ppm1      0.532 ppm2      7.295 CV     1
 ASSI { 2700}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      3.800     3.800     2.200 peak  2700 spectrum    1 weight  0.11000E+01 volume  0.35184E-03 ppm1      5.192 ppm2      0.098 CV     1
 ASSI { 2701}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 53   and name HA  ))
      4.000     2.000     2.000 peak  2701 spectrum    1 weight  0.11000E+01 volume  0.25200E-03 ppm1      1.275 ppm2      5.189 CV     1
 ASSI { 2705}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 68   and name HB2 ))
      2.900     1.000     1.000 peak  2705 spectrum    1 weight  0.11000E+01 volume  0.16747E-02 ppm1      0.794 ppm2      3.378 CV     1
 ASSI { 2706}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 68   and name HB3 ))
      2.900     1.100     1.100 peak  2706 spectrum    1 weight  0.11000E+01 volume  0.15435E-02 ppm1      0.794 ppm2      2.764 CV     1
 ASSI { 2708}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 77   and name HE% )
      2.600     2.600     3.400 peak  2708 spectrum    1 weight  0.11000E+01 volume  0.31897E-02 ppm1      1.050 ppm2      7.361 CV     1
 ASSI { 2718}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 65   and name HE% )
      2.600     2.600     3.400 peak  2718 spectrum    1 weight  0.11000E+01 volume  0.33253E-02 ppm1      0.792 ppm2      1.783 CV     1
 ASSI { 2722}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 65   and name HE% )
      2.700     2.700     3.300 peak  2722 spectrum    1 weight  0.11000E+01 volume  0.25142E-02 ppm1      0.890 ppm2      1.778 CV     1
 ASSI { 2724}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak  2724 spectrum    1 weight  0.11000E+01 volume  0.59283E-03 ppm1      1.179 ppm2      7.814 CV     1
 ASSI { 2726}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  2726 spectrum    1 weight  0.11000E+01 volume  0.38580E-03 ppm1      1.179 ppm2      8.614 CV     1
 ASSI { 2731}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     3.400     2.600 peak  2731 spectrum    1 weight  0.11000E+01 volume  0.61353E-03 ppm1      2.140 ppm2      3.881 CV     1
 ASSI { 2732}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 59   and name HD1%)
      2.800     1.000     1.000 peak  2732 spectrum    1 weight  0.11000E+01 volume  0.20995E-02 ppm1      1.090 ppm2      0.537 CV     1
 ASSI { 2741}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.200     1.200 peak  2741 spectrum    1 weight  0.11000E+01 volume  0.10057E-02 ppm1      1.737 ppm2      8.571 CV     1
 ASSI { 2744}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.500     1.500 peak  2744 spectrum    1 weight  0.11000E+01 volume  0.52659E-03 ppm1      1.791 ppm2      9.118 CV     1
 ASSI { 2747}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     3.200     2.800 peak  2747 spectrum    1 weight  0.11000E+01 volume  0.83806E-03 ppm1      1.592 ppm2      4.070 CV     1
 ASSI { 2750}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.000     1.000 peak  2750 spectrum    1 weight  0.11000E+01 volume  0.18029E-02 ppm1      1.367 ppm2      8.291 CV     1
 ASSI { 2752}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak  2752 spectrum    1 weight  0.11000E+01 volume  0.13365E-02 ppm1      1.459 ppm2      8.268 CV     1
 ASSI { 2753}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak  2753 spectrum    1 weight  0.11000E+01 volume  0.14408E-02 ppm1      1.942 ppm2      4.596 CV     1
 ASSI { 2756}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.800     1.800 peak  2756 spectrum    1 weight  0.11000E+01 volume  0.35519E-03 ppm1      2.013 ppm2      5.406 CV     1
 ASSI { 2757}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.700     1.700     1.700 peak  2757 spectrum    1 weight  0.11000E+01 volume  0.36532E-03 ppm1      2.013 ppm2      6.742 CV     1
 ASSI { 2767}
   (( segid "    " and resid 16   and name HA2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.400     1.400 peak  2767 spectrum    1 weight  0.11000E+01 volume  0.66899E-03 ppm1      3.985 ppm2      4.612 CV     1
 ASSI { 2769}
   (( segid "    " and resid 16   and name HA1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.300     1.300 peak  2769 spectrum    1 weight  0.11000E+01 volume  0.80308E-03 ppm1      4.311 ppm2      4.596 CV     1
 ASSI { 2776}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 54   and name HG  ))
      3.500     1.500     1.500 peak  2776 spectrum    1 weight  0.11000E+01 volume  0.54066E-03 ppm1      3.398 ppm2      1.641 CV     1
 ASSI { 2787}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HD2 ))
      3.600     1.700     1.700 peak  2787 spectrum    1 weight  0.11000E+01 volume  0.42216E-03 ppm1      1.698 ppm2      3.902 CV     1
 ASSI { 2788}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HD3 ))
      3.800     1.800     1.800 peak  2788 spectrum    1 weight  0.11000E+01 volume  0.32044E-03 ppm1      1.698 ppm2      3.602 CV     1
 ASSI { 2794}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     3.800     2.200 peak  2794 spectrum    1 weight  0.11000E+01 volume  0.35227E-03 ppm1      3.914 ppm2      9.204 CV     1
 ASSI { 2795}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak  2795 spectrum    1 weight  0.11000E+01 volume  0.40926E-03 ppm1      3.602 ppm2      9.237 CV     1
 ASSI { 2800}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      3.600     3.600     2.400 peak  2800 spectrum    1 weight  0.11000E+01 volume  0.43440E-03 ppm1      1.254 ppm2      4.654 CV     1
 ASSI { 2801}
   (  segid "    " and resid 49   and name HG2%)
   (  segid "    " and resid 46   and name HD1%)
      2.800     1.000     1.000 peak  2801 spectrum    1 weight  0.11000E+01 volume  0.22322E-02 ppm1      1.254 ppm2      0.981 CV     1
 ASSI { 2802}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 46   and name HG12))
      2.800     2.800     3.200 peak  2802 spectrum    1 weight  0.11000E+01 volume  0.20070E-02 ppm1      1.254 ppm2      1.473 CV     1
 ASSI { 2815}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.400     1.400 peak  2815 spectrum    1 weight  0.11000E+01 volume  0.68226E-03 ppm1      1.727 ppm2      8.751 CV     1
 ASSI { 2817}
   (( segid "    " and resid 16   and name HA1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.400     1.400 peak  2817 spectrum    1 weight  0.11000E+01 volume  0.74915E-03 ppm1      4.311 ppm2      4.468 CV     1
 ASSI { 2818}
   (( segid "    " and resid 16   and name HA2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     3.400     2.600 peak  2818 spectrum    1 weight  0.11000E+01 volume  0.68641E-03 ppm1      3.985 ppm2      4.468 CV     1
 ASSI { 2820}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 77   and name HD% )
      2.900     2.900     3.100 peak  2820 spectrum    1 weight  0.11000E+01 volume  0.16885E-02 ppm1      4.482 ppm2      7.304 CV     1
 ASSI { 2825}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 18   and name HB2 ))
      3.400     3.400     2.600 peak  2825 spectrum    1 weight  0.11000E+01 volume  0.62096E-03 ppm1      1.413 ppm2      2.128 CV     1
 ASSI { 2826}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 18   and name HG2 ))
      3.600     1.600     1.600 peak  2826 spectrum    1 weight  0.11000E+01 volume  0.43383E-03 ppm1      1.413 ppm2      2.344 CV     1
 ASSI { 2835}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak  2835 spectrum    1 weight  0.11000E+01 volume  0.43674E-03 ppm1      4.236 ppm2      5.409 CV     1
 ASSI { 2836}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      2.900     1.000     1.000 peak  2836 spectrum    1 weight  0.11000E+01 volume  0.17702E-02 ppm1      4.247 ppm2      0.932 CV     1
 ASSI { 2837}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      3.500     3.500     2.500 peak  2837 spectrum    1 weight  0.11000E+01 volume  0.51253E-03 ppm1      4.247 ppm2      0.718 CV     1
 ASSI { 2838}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 74   and name HD22))
      3.600     1.600     1.600 peak  2838 spectrum    1 weight  0.11000E+01 volume  0.46079E-03 ppm1      1.768 ppm2      7.178 CV     1
 ASSI { 2841}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 74   and name HD22))
      3.500     1.500     1.500 peak  2841 spectrum    1 weight  0.11000E+01 volume  0.56879E-03 ppm1      1.737 ppm2      7.161 CV     1
 ASSI { 2846}
   (( segid "    " and resid 36   and name HG3 ))
   (  segid "    " and resid 52   and name HG1%)
      3.500     1.500     1.500 peak  2846 spectrum    1 weight  0.11000E+01 volume  0.58125E-03 ppm1      1.573 ppm2      0.925 CV     1
 ASSI { 2847}
   (( segid "    " and resid 36   and name HG3 ))
   (  segid "    " and resid 52   and name HG2%)
      2.900     2.900     3.100 peak  2847 spectrum    1 weight  0.11000E+01 volume  0.14991E-02 ppm1      1.573 ppm2      0.753 CV     1
 ASSI { 2848}
   (( segid "    " and resid 36   and name HG2 ))
   (  segid "    " and resid 52   and name HG2%)
      2.900     2.900     3.100 peak  2848 spectrum    1 weight  0.11000E+01 volume  0.16696E-02 ppm1      1.711 ppm2      0.733 CV     1
 ASSI { 2854}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     4.000     2.000 peak  2854 spectrum    1 weight  0.11000E+01 volume  0.22678E-03 ppm1      2.951 ppm2      5.377 CV     1
 ASSI { 2857}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 63   and name HB3 ))
      2.900     1.100     1.100 peak  2857 spectrum    1 weight  0.11000E+01 volume  0.14991E-02 ppm1      1.093 ppm2      2.408 CV     1
 ASSI { 2860}
   (( segid "    " and resid 65   and name HG3 ))
   (  segid "    " and resid 70   and name HD1%)
      3.400     1.400     1.400 peak  2860 spectrum    1 weight  0.11000E+01 volume  0.64166E-03 ppm1      2.338 ppm2      0.763 CV     1
 ASSI { 2867}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
      2.800     1.000     1.000 peak  2867 spectrum    1 weight  0.11000E+01 volume  0.20281E-02 ppm1      0.818 ppm2      1.993 CV     1
 ASSI { 2872}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
      3.500     1.500     1.500 peak  2872 spectrum    1 weight  0.11000E+01 volume  0.54561E-03 ppm1      0.907 ppm2      3.317 CV     1
 ASSI { 2879}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      3.800     3.800     2.200 peak  2879 spectrum    1 weight  0.11000E+01 volume  0.33325E-03 ppm1      0.818 ppm2      7.808 CV     1
 ASSI { 2881}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.400     1.400 peak  2881 spectrum    1 weight  0.11000E+01 volume  0.68138E-03 ppm1      0.890 ppm2      7.803 CV     1
 ASSI { 2882}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HA  ))
      2.700     2.700     3.300 peak  2882 spectrum    1 weight  0.11000E+01 volume  0.23911E-02 ppm1      3.821 ppm2      4.916 CV     1
 ASSI { 2885}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HB3 ))
      1.600     0.300     0.600 peak  2885 spectrum    1 weight  0.11000E+01 volume  0.69953E-01 ppm1      3.860 ppm2      3.818 CV     1
 ASSI { 2886}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 49   and name HG2%)
      3.300     1.400     1.400 peak  2886 spectrum    1 weight  0.11000E+01 volume  0.72365E-03 ppm1      3.860 ppm2      1.249 CV     1
 ASSI { 2887}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 45   and name HG2%)
      3.000     1.100     1.100 peak  2887 spectrum    1 weight  0.11000E+01 volume  0.13562E-02 ppm1      3.860 ppm2      0.872 CV     1
 ASSI { 2888}
   (( segid "    " and resid 80   and name HB3 ))
   (  segid "    " and resid 49   and name HG2%)
      3.200     1.300     1.300 peak  2888 spectrum    1 weight  0.11000E+01 volume  0.90948E-03 ppm1      3.821 ppm2      1.256 CV     1
 ASSI { 2889}
   (( segid "    " and resid 80   and name HB3 ))
   (  segid "    " and resid 45   and name HG2%)
      3.000     1.100     1.100 peak  2889 spectrum    1 weight  0.11000E+01 volume  0.13277E-02 ppm1      3.821 ppm2      0.879 CV     1
 ASSI { 2891}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 45   and name HG13))
      3.800     1.800     1.800 peak  2891 spectrum    1 weight  0.11000E+01 volume  0.32954E-03 ppm1      3.821 ppm2      1.034 CV     1
 ASSI { 2892}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak  2892 spectrum    1 weight  0.11000E+01 volume  0.37997E-03 ppm1      1.029 ppm2      3.857 CV     1
 ASSI { 2893}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     3.900     2.100 peak  2893 spectrum    1 weight  0.11000E+01 volume  0.27649E-03 ppm1      3.061 ppm2      4.916 CV     1
 ASSI { 2897}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.900     3.900     2.100 peak  2897 spectrum    1 weight  0.11000E+01 volume  0.29886E-03 ppm1      1.601 ppm2      9.270 CV     1
 ASSI { 2898}
   (( segid "    " and resid 72   and name HD3 ))
   (( segid "    " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak  2898 spectrum    1 weight  0.11000E+01 volume  0.23560E-03 ppm1      1.485 ppm2      9.270 CV     1
 ASSI { 2899}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak  2899 spectrum    1 weight  0.11000E+01 volume  0.11012E-02 ppm1      0.890 ppm2      3.999 CV     1
 ASSI { 2900}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.000     1.100     1.100 peak  2900 spectrum    1 weight  0.11000E+01 volume  0.14779E-02 ppm1      1.179 ppm2      4.011 CV     1
 ASSI { 2901}
   (  segid "    " and resid 35   and name HG1%)
   (  segid "    " and resid 26   and name HG1%)
      2.300     0.700     0.700 peak  2901 spectrum    1 weight  0.11000E+01 volume  0.66229E-02 ppm1      1.179 ppm2      0.893 CV     1
 ASSI { 2903}
   (  segid "    " and resid 35   and name HG2%)
   (  segid "    " and resid 26   and name HG1%)
      1.900     1.900     4.100 peak  2903 spectrum    1 weight  0.11000E+01 volume  0.20325E-01 ppm1      0.818 ppm2      0.882 CV     1
 ASSI { 2906}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      4.000     2.000     2.000 peak  2906 spectrum    1 weight  0.11000E+01 volume  0.25404E-03 ppm1      3.593 ppm2      0.132 CV     1
 ASSI { 2908}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      2.700     0.900     0.900 peak  2908 spectrum    1 weight  0.11000E+01 volume  0.24609E-02 ppm1      3.593 ppm2      0.817 CV     1
 ASSI { 2909}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      3.700     1.700     1.700 peak  2909 spectrum    1 weight  0.11000E+01 volume  0.40810E-03 ppm1      3.593 ppm2      4.089 CV     1
 ASSI { 2912}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 13   and name HG2%)
      2.700     0.900     0.900 peak  2912 spectrum    1 weight  0.11000E+01 volume  0.26395E-02 ppm1      1.050 ppm2      0.615 CV     1
 ASSI { 2914}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 13   and name HG2%)
      2.400     0.700     0.700 peak  2914 spectrum    1 weight  0.11000E+01 volume  0.47361E-02 ppm1      0.864 ppm2      0.615 CV     1
 ASSI { 2915}
   (  segid "    " and resid 13   and name HG1%)
   (  segid "    " and resid 75   and name HD2%)
      2.500     2.500     3.500 peak  2915 spectrum    1 weight  0.11000E+01 volume  0.45503E-02 ppm1      0.983 ppm2      0.798 CV     1
 ASSI { 2916}
   (  segid "    " and resid 13   and name HG1%)
   (( segid "    " and resid 18   and name HG2 ))
      3.300     3.300     2.700 peak  2916 spectrum    1 weight  0.11000E+01 volume  0.82348E-03 ppm1      0.983 ppm2      2.332 CV     1
 ASSI { 2917}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 51   and name HG2%)
      2.400     2.400     3.600 peak  2917 spectrum    1 weight  0.11000E+01 volume  0.46763E-02 ppm1      1.024 ppm2      0.787 CV     1
 ASSI { 2919}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 51   and name HB  ))
      2.900     2.900     3.100 peak  2919 spectrum    1 weight  0.11000E+01 volume  0.18008E-02 ppm1      1.024 ppm2      1.789 CV     1
 ASSI { 2922}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 77   and name HD% )
      3.900     1.900     1.900 peak  2922 spectrum    1 weight  0.11000E+01 volume  0.27649E-03 ppm1      1.024 ppm2      7.283 CV     1
 ASSI { 2923}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      3.300     3.300     2.700 peak  2923 spectrum    1 weight  0.11000E+01 volume  0.72831E-03 ppm1      1.024 ppm2      4.994 CV     1
 ASSI { 2925}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
      3.600     3.600     2.400 peak  2925 spectrum    1 weight  0.11000E+01 volume  0.42683E-03 ppm1      1.024 ppm2      4.440 CV     1
 ASSI { 2927}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      3.500     1.500     1.500 peak  2927 spectrum    1 weight  0.11000E+01 volume  0.55057E-03 ppm1      0.731 ppm2      2.945 CV     1
 ASSI { 2929}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      3.300     3.300     2.700 peak  2929 spectrum    1 weight  0.11000E+01 volume  0.81985E-03 ppm1      4.224 ppm2      4.493 CV     1
 ASSI { 2930}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HB  ))
      3.800     1.800     1.800 peak  2930 spectrum    1 weight  0.11000E+01 volume  0.35023E-03 ppm1      3.824 ppm2      1.915 CV     1
 ASSI { 2931}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.800     1.800     1.800 peak  2931 spectrum    1 weight  0.11000E+01 volume  0.35395E-03 ppm1      4.224 ppm2      3.829 CV     1
 ASSI { 2933}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 38   and name HE% )
      3.900     1.900     1.900 peak  2933 spectrum    1 weight  0.11000E+01 volume  0.27737E-03 ppm1      1.991 ppm2      2.213 CV     1
 ASSI { 2942}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 26   and name HG1%)
      2.700     2.700     3.300 peak  2942 spectrum    1 weight  0.11000E+01 volume  0.22920E-02 ppm1      1.367 ppm2      0.902 CV     1
 ASSI { 2943}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 24   and name HG  ))
      2.800     2.800     3.200 peak  2943 spectrum    1 weight  0.11000E+01 volume  0.19436E-02 ppm1      1.301 ppm2      1.626 CV     1
 ASSI { 2944}
   (( segid "    " and resid 14   and name HG3 ))
   (  segid "    " and resid 43   and name HG2%)
      3.100     1.200     1.200 peak  2944 spectrum    1 weight  0.11000E+01 volume  0.11259E-02 ppm1      2.214 ppm2      0.915 CV     1
 ASSI { 2945}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 43   and name HG2%)
      3.100     1.200     1.200 peak  2945 spectrum    1 weight  0.11000E+01 volume  0.11441E-02 ppm1      2.383 ppm2      0.928 CV     1
 ASSI { 2948}
   (  segid "    " and resid 13   and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  2948 spectrum    1 weight  0.11000E+01 volume  0.20995E-02 ppm1      0.983 ppm2      4.194 CV     1
 ASSI { 2949}
   (  segid "    " and resid 13   and name HG1%)
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.100     1.100 peak  2949 spectrum    1 weight  0.11000E+01 volume  0.16303E-02 ppm1      0.983 ppm2      2.113 CV     1
 ASSI { 2952}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
      3.800     1.800     1.800 peak  2952 spectrum    1 weight  0.11000E+01 volume  0.31956E-03 ppm1      0.907 ppm2      3.956 CV     1
 ASSI { 2953}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 52   and name HG1%)
      2.900     1.100     1.100 peak  2953 spectrum    1 weight  0.11000E+01 volume  0.16113E-02 ppm1      1.188 ppm2      0.941 CV     1
 ASSI { 2954}
   (( segid "    " and resid 75   and name HB3 ))
   (  segid "    " and resid 13   and name HG2%)
      3.000     1.100     1.100 peak  2954 spectrum    1 weight  0.11000E+01 volume  0.13642E-02 ppm1      0.965 ppm2      0.641 CV     1
 ASSI { 2957}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 52   and name HG1%)
      2.300     2.300     3.700 peak  2957 spectrum    1 weight  0.11000E+01 volume  0.66134E-02 ppm1      1.677 ppm2      0.941 CV     1
 ASSI { 2958}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 76   and name HG  ))
      2.400     0.700     0.700 peak  2958 spectrum    1 weight  0.11000E+01 volume  0.57798E-02 ppm1      0.753 ppm2      1.594 CV     1
 ASSI { 2959}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 76   and name HB3 ))
      2.500     2.500     3.500 peak  2959 spectrum    1 weight  0.11000E+01 volume  0.43317E-02 ppm1      0.753 ppm2      1.174 CV     1
 ASSI { 2962}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak  2962 spectrum    1 weight  0.11000E+01 volume  0.45022E-03 ppm1      2.946 ppm2      4.257 CV     1
 ASSI { 2963}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HE3 ))
      1.500     1.500     4.500 peak  2963 spectrum    1 weight  0.11000E+01 volume  0.99547E-01 ppm1      2.946 ppm2      2.946 CV     1
 ASSI { 2964}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HD3 ))
      3.200     1.300     1.300 peak  2964 spectrum    1 weight  0.11000E+01 volume  0.95684E-03 ppm1      2.946 ppm2      1.150 CV     1
 ASSI { 2967}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     0.900     0.900 peak  2967 spectrum    1 weight  0.11000E+01 volume  0.22752E-02 ppm1      1.882 ppm2      3.899 CV     1
 ASSI { 2968}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 8    and name HD1%)
      3.300     3.300     2.700 peak  2968 spectrum    1 weight  0.11000E+01 volume  0.73093E-03 ppm1      1.882 ppm2      0.779 CV     1
 ASSI { 2971}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HD2 ))
      2.700     0.900     0.900 peak  2971 spectrum    1 weight  0.11000E+01 volume  0.25470E-02 ppm1      1.882 ppm2      1.602 CV     1
 ASSI { 2972}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.200     0.600     0.600 peak  2972 spectrum    1 weight  0.11000E+01 volume  0.99474E-02 ppm1      1.882 ppm2      1.793 CV     1
 ASSI { 2976}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      1.700     0.300     0.500 peak  2976 spectrum    1 weight  0.11000E+01 volume  0.47660E-01 ppm1      1.922 ppm2      1.876 CV     1
 ASSI { 2977}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  2977 spectrum    1 weight  0.11000E+01 volume  0.19837E-02 ppm1      0.822 ppm2      3.891 CV     1
 ASSI { 2980}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak  2980 spectrum    1 weight  0.11000E+01 volume  0.19275E-02 ppm1      0.724 ppm2      1.926 CV     1
 ASSI { 2981}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
      3.200     1.300     1.300 peak  2981 spectrum    1 weight  0.11000E+01 volume  0.83733E-03 ppm1      0.822 ppm2      1.926 CV     1
 ASSI { 2983}
   (( segid "    " and resid 72   and name HB3 ))
   (  segid "    " and resid 8    and name HD2%)
      3.500     3.500     2.500 peak  2983 spectrum    1 weight  0.11000E+01 volume  0.54642E-03 ppm1      1.882 ppm2      0.729 CV     1
 ASSI { 2994}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak  2994 spectrum    1 weight  0.11000E+01 volume  0.10436E-02 ppm1      3.899 ppm2      4.875 CV     1
 ASSI { 2995}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HA1 ))
      3.300     3.300     2.700 peak  2995 spectrum    1 weight  0.11000E+01 volume  0.71118E-03 ppm1      3.899 ppm2      4.358 CV     1
 ASSI { 2999}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.400     1.400     1.400 peak  2999 spectrum    1 weight  0.11000E+01 volume  0.65988E-03 ppm1      1.620 ppm2      2.764 CV     1
 ASSI { 3001}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 70   and name HG12))
      3.800     3.800     2.200 peak  3001 spectrum    1 weight  0.11000E+01 volume  0.35352E-03 ppm1      2.770 ppm2      1.489 CV     1
 ASSI { 3002}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 70   and name HG2%)
      2.800     1.000     1.000 peak  3002 spectrum    1 weight  0.11000E+01 volume  0.19720E-02 ppm1      2.770 ppm2      0.938 CV     1
 ASSI { 3003}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 70   and name HD1%)
      2.900     2.900     3.100 peak  3003 spectrum    1 weight  0.11000E+01 volume  0.18103E-02 ppm1      2.770 ppm2      0.771 CV     1
 ASSI { 3005}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 42   and name HD3 ))
      4.000     2.000     2.000 peak  3005 spectrum    1 weight  0.11000E+01 volume  0.25434E-03 ppm1      2.951 ppm2      1.152 CV     1
 ASSI { 3007}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.500     3.500     2.500 peak  3007 spectrum    1 weight  0.11000E+01 volume  0.53074E-03 ppm1      1.315 ppm2      2.944 CV     1
 ASSI { 3008}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.700     1.700     1.700 peak  3008 spectrum    1 weight  0.11000E+01 volume  0.36999E-03 ppm1      1.581 ppm2      2.944 CV     1
 ASSI { 3012}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      3.600     1.600     1.600 peak  3012 spectrum    1 weight  0.11000E+01 volume  0.43674E-03 ppm1      3.908 ppm2      8.598 CV     1
 ASSI { 3013}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     3.300     2.700 peak  3013 spectrum    1 weight  0.11000E+01 volume  0.72714E-03 ppm1      3.996 ppm2      8.646 CV     1
 ASSI { 3014}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.800     3.800     2.200 peak  3014 spectrum    1 weight  0.11000E+01 volume  0.31380E-03 ppm1      3.908 ppm2      8.626 CV     1
 ASSI { 3016}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak  3016 spectrum    1 weight  0.11000E+01 volume  0.31627E-03 ppm1      3.335 ppm2      7.832 CV     1
 ASSI { 3019}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.200     1.200 peak  3019 spectrum    1 weight  0.11000E+01 volume  0.12520E-02 ppm1      4.045 ppm2      7.949 CV     1
 ASSI { 3022}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak  3022 spectrum    1 weight  0.11000E+01 volume  0.27153E-03 ppm1      2.458 ppm2      7.823 CV     1
 ASSI { 3023}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      4.100     2.100     1.900 peak  3023 spectrum    1 weight  0.11000E+01 volume  0.22213E-03 ppm1      1.833 ppm2      7.814 CV     1
 ASSI { 3025}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 28   and name HG2 ))
      3.200     1.300     1.300 peak  3025 spectrum    1 weight  0.11000E+01 volume  0.94227E-03 ppm1      1.515 ppm2      1.807 CV     1
 ASSI { 3028}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      4.300     2.300     1.700 peak  3028 spectrum    1 weight  0.11000E+01 volume  0.16163E-03 ppm1      3.131 ppm2      0.952 CV     1
 ASSI { 3029}
   (( segid "    " and resid 56   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak  3029 spectrum    1 weight  0.11000E+01 volume  0.57214E-03 ppm1      4.277 ppm2      7.966 CV     1
 ASSI { 3030}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 44   and name HA2 ))
      3.600     3.600     2.400 peak  3030 spectrum    1 weight  0.11000E+01 volume  0.48651E-03 ppm1      3.964 ppm2      3.784 CV     1
 ASSI { 3031}
   (( segid "    " and resid 44   and name HA1 ))
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak  3031 spectrum    1 weight  0.11000E+01 volume  0.54051E-02 ppm1      4.273 ppm2      3.973 CV     1
 ASSI { 3033}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HA1 ))
      3.400     3.400     2.600 peak  3033 spectrum    1 weight  0.11000E+01 volume  0.66068E-03 ppm1      4.082 ppm2      4.326 CV     1
 ASSI { 3035}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 39   and name HG2%)
      3.100     1.200     1.200 peak  3035 spectrum    1 weight  0.11000E+01 volume  0.11493E-02 ppm1      4.158 ppm2      0.754 CV     1
 ASSI { 3037}
   (  segid "    " and resid 39   and name HG2%)
   (  segid "    " and resid 43   and name HG2%)
      2.000     0.500     0.500 peak  3037 spectrum    1 weight  0.11000E+01 volume  0.13824E-01 ppm1      0.749 ppm2      0.925 CV     1
 ASSI { 3038}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak  3038 spectrum    1 weight  0.11000E+01 volume  0.26490E-03 ppm1      2.589 ppm2      4.652 CV     1
 ASSI { 3039}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      2.600     0.800     0.800 peak  3039 spectrum    1 weight  0.11000E+01 volume  0.34331E-02 ppm1      4.440 ppm2      0.745 CV     1
 ASSI { 3040}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 33   and name HB% )
      3.700     1.700     1.700 peak  3040 spectrum    1 weight  0.11000E+01 volume  0.39811E-03 ppm1      2.612 ppm2      1.554 CV     1
 ASSI { 3042}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 65   and name HE% )
      3.000     1.200     1.200 peak  3042 spectrum    1 weight  0.11000E+01 volume  0.12257E-02 ppm1      1.671 ppm2      1.818 CV     1
 ASSI { 3043}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.700     1.700     1.700 peak  3043 spectrum    1 weight  0.11000E+01 volume  0.38995E-03 ppm1      0.762 ppm2      4.805 CV     1
 ASSI { 3046}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 70   and name HD1%)
      2.800     2.800     3.200 peak  3046 spectrum    1 weight  0.11000E+01 volume  0.22059E-02 ppm1      1.825 ppm2      0.775 CV     1
 ASSI { 3048}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak  3048 spectrum    1 weight  0.11000E+01 volume  0.38733E-02 ppm1      0.762 ppm2      1.953 CV     1
 ASSI { 3050}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak  3050 spectrum    1 weight  0.11000E+01 volume  0.47719E-03 ppm1      0.792 ppm2      8.261 CV     1
 ASSI { 3052}
   (( segid "    " and resid 8    and name HG  ))
   (( segid "    " and resid 28   and name HN  ))
      4.200     4.200     1.800 peak  3052 spectrum    1 weight  0.11000E+01 volume  0.17446E-03 ppm1      1.719 ppm2      9.261 CV     1
 ASSI { 3054}
   (( segid "    " and resid 36   and name HD3 ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     3.400     2.600 peak  3054 spectrum    1 weight  0.11000E+01 volume  0.59612E-03 ppm1      1.472 ppm2      8.692 CV     1
 ASSI { 3055}
   (( segid "    " and resid 21   and name HD2 ))
   (  segid "    " and resid 11   and name HE% )
      4.100     2.100     1.900 peak  3055 spectrum    1 weight  0.11000E+01 volume  0.20427E-03 ppm1      2.888 ppm2      7.354 CV     1
 ASSI { 3056}
   (( segid "    " and resid 21   and name HD3 ))
   (  segid "    " and resid 11   and name HE% )
      4.200     2.200     1.800 peak  3056 spectrum    1 weight  0.11000E+01 volume  0.18321E-03 ppm1      2.765 ppm2      7.354 CV     1
 ASSI { 3058}
   (( segid "    " and resid 73   and name HA2 ))
   (  segid "    " and resid 11   and name HD% )
      3.300     1.400     1.400 peak  3058 spectrum    1 weight  0.11000E+01 volume  0.73530E-03 ppm1      3.697 ppm2      7.030 CV     1
 ASSI { 3059}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 68   and name HD% )
      4.000     2.000     2.000 peak  3059 spectrum    1 weight  0.11000E+01 volume  0.24348E-03 ppm1      1.691 ppm2      7.299 CV     1
 ASSI { 3060}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 68   and name HD% )
      4.000     2.000     2.000 peak  3060 spectrum    1 weight  0.11000E+01 volume  0.22977E-03 ppm1      1.202 ppm2      7.299 CV     1
 ASSI { 3061}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 68   and name HE% )
      4.100     2.100     1.900 peak  3061 spectrum    1 weight  0.11000E+01 volume  0.20485E-03 ppm1      2.166 ppm2      6.771 CV     1
 ASSI { 3062}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 68   and name HE% )
      4.200     2.200     1.800 peak  3062 spectrum    1 weight  0.11000E+01 volume  0.19254E-03 ppm1      1.934 ppm2      6.771 CV     1
 ASSI { 3063}
   (( segid "    " and resid 63   and name HG2 ))
   (  segid "    " and resid 68   and name HE% )
      4.000     2.000     2.000 peak  3063 spectrum    1 weight  0.11000E+01 volume  0.24231E-03 ppm1      1.746 ppm2      6.771 CV     1
 ASSI { 3064}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 68   and name HD% )
      4.000     2.000     2.000 peak  3064 spectrum    1 weight  0.11000E+01 volume  0.25171E-03 ppm1      1.275 ppm2      7.280 CV     1
 ASSI { 3065}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 68   and name HE% )
      3.200     1.300     1.300 peak  3065 spectrum    1 weight  0.11000E+01 volume  0.88761E-03 ppm1      0.794 ppm2      6.781 CV     1
 ASSI { 3066}
   (( segid "    " and resid 57   and name HD2 ))
   (  segid "    " and resid 68   and name HE% )
      4.100     2.100     1.900 peak  3066 spectrum    1 weight  0.11000E+01 volume  0.22095E-03 ppm1      1.666 ppm2      6.790 CV     1
 ASSI { 3067}
   (( segid "    " and resid 57   and name HD3 ))
   (  segid "    " and resid 68   and name HE% )
      4.000     2.000     2.000 peak  3067 spectrum    1 weight  0.11000E+01 volume  0.24850E-03 ppm1      1.602 ppm2      6.781 CV     1
 ASSI { 3068}
   (  segid "    " and resid 32   and name HG2%)
   (  segid "    " and resid 68   and name HE% )
      4.000     2.000     2.000 peak  3068 spectrum    1 weight  0.11000E+01 volume  0.22890E-03 ppm1      0.769 ppm2      6.781 CV     1
 ASSI { 3069}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 22   and name HD2 ))
      4.400     2.400     1.600 peak  3069 spectrum    1 weight  0.11000E+01 volume  0.14444E-03 ppm1      1.329 ppm2      6.737 CV     1
 ASSI { 3071}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 55   and name HD21))
      3.600     1.600     1.600 peak  3071 spectrum    1 weight  0.11000E+01 volume  0.48943E-03 ppm1      4.218 ppm2      7.782 CV     1
 ASSI { 3072}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name HD21))
      3.300     1.400     1.400 peak  3072 spectrum    1 weight  0.11000E+01 volume  0.73895E-03 ppm1      0.935 ppm2      7.764 CV     1
 ASSI { 3073}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name HD22))
      3.300     1.300     1.300 peak  3073 spectrum    1 weight  0.11000E+01 volume  0.83588E-03 ppm1      0.935 ppm2      6.968 CV     1
 ASSI { 3076}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 50   and name HE21))
      4.000     2.000     2.000 peak  3076 spectrum    1 weight  0.11000E+01 volume  0.22795E-03 ppm1      1.877 ppm2      6.977 CV     1
 ASSI { 3077}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 50   and name HE22))
      3.500     1.500     1.500 peak  3077 spectrum    1 weight  0.11000E+01 volume  0.53650E-03 ppm1      1.877 ppm2      6.773 CV     1
 ASSI { 3078}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 50   and name HE21))
      4.100     2.100     1.900 peak  3078 spectrum    1 weight  0.11000E+01 volume  0.20631E-03 ppm1      2.394 ppm2      6.996 CV     1
 ASSI { 3079}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 50   and name HE22))
      4.200     2.200     1.800 peak  3079 spectrum    1 weight  0.11000E+01 volume  0.17920E-03 ppm1      2.394 ppm2      6.791 CV     1
 ASSI { 3080}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 50   and name HE21))
      4.000     2.000     2.000 peak  3080 spectrum    1 weight  0.11000E+01 volume  0.25827E-03 ppm1      0.949 ppm2      6.977 CV     1
 ASSI { 3083}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
      4.200     2.200     1.800 peak  3083 spectrum    1 weight  0.11000E+01 volume  0.18175E-03 ppm1      2.563 ppm2      8.607 CV     1
 ASSI { 3085}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.900     3.900     2.100 peak  3085 spectrum    1 weight  0.11000E+01 volume  0.29267E-03 ppm1      2.243 ppm2      9.178 CV     1
 ASSI { 3086}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 46   and name HA  ))
      3.100     3.100     2.900 peak  3086 spectrum    1 weight  0.11000E+01 volume  0.11062E-02 ppm1      1.649 ppm2      4.328 CV     1
 ASSI { 3087}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 46   and name HB  ))
      4.600     4.600     1.400 peak  3087 spectrum    1 weight  0.11000E+01 volume  0.10742E-03 ppm1      1.649 ppm2      2.118 CV     1
 ASSI { 3088}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 48   and name HG3 ))
      2.300     0.700     0.700 peak  3088 spectrum    1 weight  0.11000E+01 volume  0.58927E-02 ppm1      2.149 ppm2      2.297 CV     1
 ASSI { 3092}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      3.800     1.800     1.800 peak  3092 spectrum    1 weight  0.11000E+01 volume  0.35184E-03 ppm1      4.045 ppm2      0.863 CV     1
 ASSI { 3093}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      3.600     3.600     2.400 peak  3093 spectrum    1 weight  0.11000E+01 volume  0.43914E-03 ppm1      0.874 ppm2      4.434 CV     1
 ASSI { 3094}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      3.600     3.600     2.400 peak  3094 spectrum    1 weight  0.11000E+01 volume  0.42916E-03 ppm1      0.874 ppm2      4.847 CV     1
 ASSI { 3095}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      2.900     1.000     1.000 peak  3095 spectrum    1 weight  0.11000E+01 volume  0.16907E-02 ppm1      4.051 ppm2      0.879 CV     1
 ASSI { 3096}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
      3.700     1.800     1.800 peak  3096 spectrum    1 weight  0.11000E+01 volume  0.35519E-03 ppm1      3.996 ppm2      1.734 CV     1
 ASSI { 3098}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
      3.400     1.400     1.400 peak  3098 spectrum    1 weight  0.11000E+01 volume  0.67810E-03 ppm1      1.737 ppm2      3.919 CV     1
 ASSI { 3100}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 68   and name HD% )
      3.800     1.800     1.800 peak  3100 spectrum    1 weight  0.11000E+01 volume  0.32990E-03 ppm1      1.620 ppm2      7.291 CV     1
 ASSI { 3102}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
      3.900     3.900     2.100 peak  3102 spectrum    1 weight  0.11000E+01 volume  0.28807E-03 ppm1      2.211 ppm2      4.621 CV     1
 ASSI { 3103}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     2.900     3.100 peak  3103 spectrum    1 weight  0.11000E+01 volume  0.17235E-02 ppm1      2.150 ppm2      4.610 CV     1
 ASSI { 3106}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      3.300     3.300     2.700 peak  3106 spectrum    1 weight  0.11000E+01 volume  0.70295E-03 ppm1      1.254 ppm2      4.823 CV     1
 ASSI { 1989}
   (  segid "    " and resid 68   and name HE% )
   (  segid "    " and resid 68   and name HD% )
      2.100     0.600     0.600 peak  1989 spectrum    1 weight  0.11000E+01 volume  0.10895E-01 ppm1      6.716 ppm2      7.238 CV     1
 ASSI { 1993}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 68   and name HD% )
      2.700     0.900     0.900 peak  1993 spectrum    1 weight  0.11000E+01 volume  0.24184E-02 ppm1      3.334 ppm2      7.238 CV     1
 ASSI { 1994}
   (( segid "    " and resid 68   and name HB3 ))
   (  segid "    " and resid 68   and name HD% )
      2.600     0.800     0.800 peak  1994 spectrum    1 weight  0.11000E+01 volume  0.34406E-02 ppm1      2.706 ppm2      7.238 CV     1
 ASSI { 1999}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 68   and name HE% )
      3.000     1.100     1.100 peak  1999 spectrum    1 weight  0.11000E+01 volume  0.14123E-02 ppm1      9.186 ppm2      6.714 CV     1
 ASSI { 2004}
   (  segid "    " and resid 81   and name HD% )
   (  segid "    " and resid 81   and name HE% )
      1.900     0.400     0.400 peak  2004 spectrum    1 weight  0.11000E+01 volume  0.23604E-01 ppm1      7.098 ppm2      6.797 CV     1
 ASSI { 2006}
   (( segid "    " and resid 81   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
      2.800     1.000     1.000 peak  2006 spectrum    1 weight  0.11000E+01 volume  0.21810E-02 ppm1      4.619 ppm2      7.107 CV     1
 ASSI { 2007}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 81   and name HD% )
      2.300     0.700     0.700 peak  2007 spectrum    1 weight  0.11000E+01 volume  0.66720E-02 ppm1      2.995 ppm2      7.107 CV     1
 ASSI { 2008}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 81   and name HE% )
      3.200     1.300     1.300 peak  2008 spectrum    1 weight  0.11000E+01 volume  0.93647E-03 ppm1      3.002 ppm2      6.797 CV     1
 ASSI { 2009}
   (( segid "    " and resid 51   and name HG12))
   (  segid "    " and resid 81   and name HD% )
      3.200     1.300     1.300 peak  2009 spectrum    1 weight  0.11000E+01 volume  0.85394E-03 ppm1      0.875 ppm2      7.100 CV     1
 ASSI { 2010}
   (( segid "    " and resid 51   and name HG12))
   (  segid "    " and resid 81   and name HE% )
      3.300     1.400     1.400 peak  2010 spectrum    1 weight  0.11000E+01 volume  0.72299E-03 ppm1      0.865 ppm2      6.797 CV     1
 ASSI { 2013}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      2.900     1.000     1.000 peak  2013 spectrum    1 weight  0.11000E+01 volume  0.17517E-02 ppm1      2.737 ppm2      6.960 CV     1
 ASSI { 2015}
   (  segid "    " and resid 11   and name HE% )
   (  segid "    " and resid 11   and name HD% )
      2.400     0.700     0.700 peak  2015 spectrum    1 weight  0.11000E+01 volume  0.58744E-02 ppm1      7.302 ppm2      6.960 CV     1
 ASSI { 2018}
   (( segid "    " and resid 73   and name HA1 ))
   (  segid "    " and resid 11   and name HE% )
      3.700     1.700     1.700 peak  2018 spectrum    1 weight  0.11000E+01 volume  0.39917E-03 ppm1      4.324 ppm2      7.308 CV     1
 ASSI { 2019}
   (( segid "    " and resid 73   and name HA2 ))
   (  segid "    " and resid 11   and name HE% )
      3.500     1.500     1.500 peak  2019 spectrum    1 weight  0.11000E+01 volume  0.58604E-03 ppm1      3.637 ppm2      7.308 CV     1
 ASSI { 2024}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD% )
      3.100     1.200     1.200 peak  2024 spectrum    1 weight  0.11000E+01 volume  0.11159E-02 ppm1      5.027 ppm2      7.211 CV     1
 ASSI { 2025}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD% )
      2.800     1.000     1.000 peak  2025 spectrum    1 weight  0.11000E+01 volume  0.19204E-02 ppm1      3.010 ppm2      7.211 CV     1
 ASSI { 2027}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.600     1.600     1.600 peak  2027 spectrum    1 weight  0.11000E+01 volume  0.46616E-03 ppm1      4.429 ppm2      6.960 CV     1
 ASSI { 2029}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      4.100     2.100     1.900 peak  2029 spectrum    1 weight  0.11000E+01 volume  0.21583E-03 ppm1      8.724 ppm2      6.693 CV     1
 ASSI { 2031}
   (( segid "    " and resid 64   and name HB3 ))
   (  segid "    " and resid 68   and name HE% )
      2.800     2.800     3.200 peak  2031 spectrum    1 weight  0.11000E+01 volume  0.21247E-02 ppm1      2.039 ppm2      6.714 CV     1
 ASSI { 2034}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.500     1.500     1.500 peak  2034 spectrum    1 weight  0.11000E+01 volume  0.57129E-03 ppm1      7.719 ppm2      6.693 CV     1
 ASSI { 2035}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HE1 ))
      3.400     3.400     2.600 peak  2035 spectrum    1 weight  0.11000E+01 volume  0.64092E-03 ppm1      4.788 ppm2      7.715 CV     1
 ASSI { 2037}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      3.100     3.100     2.900 peak  2037 spectrum    1 weight  0.11000E+01 volume  0.11306E-02 ppm1      4.788 ppm2      6.693 CV     1
 ASSI { 2038}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      2.800     1.000     1.000 peak  2038 spectrum    1 weight  0.11000E+01 volume  0.19144E-02 ppm1      2.882 ppm2      6.693 CV     1
 ASSI { 2039}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HE1 ))
      3.300     3.300     2.700 peak  2039 spectrum    1 weight  0.11000E+01 volume  0.75434E-03 ppm1      1.656 ppm2      7.715 CV     1
 ASSI { 2040}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HE1 ))
      4.000     2.000     2.000 peak  2040 spectrum    1 weight  0.11000E+01 volume  0.26043E-03 ppm1      1.522 ppm2      7.715 CV     1
 ASSI { 2041}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 22   and name HE1 ))
      4.200     2.200     1.800 peak  2041 spectrum    1 weight  0.11000E+01 volume  0.19379E-03 ppm1      2.869 ppm2      7.715 CV     1
 ASSI { 2045}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      4.100     2.100     1.900 peak  2045 spectrum    1 weight  0.11000E+01 volume  0.22473E-03 ppm1      9.183 ppm2      6.960 CV     1
 ASSI { 2048}
   (  segid "    " and resid 77   and name HE% )
   (  segid "    " and resid 77   and name HD% )
      2.100     0.500     0.500 peak  2048 spectrum    1 weight  0.11000E+01 volume  0.12307E-01 ppm1      7.341 ppm2      7.211 CV     1
 ASSI { 2051}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HE% )
      4.500     2.500     1.500 peak  2051 spectrum    1 weight  0.11000E+01 volume  0.11923E-03 ppm1      8.904 ppm2      7.344 CV     1
 ASSI { 2055}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 81   and name HD% )
      3.900     1.900     1.900 peak  2055 spectrum    1 weight  0.11000E+01 volume  0.29339E-03 ppm1      4.460 ppm2      7.107 CV     1
 ASSI { 2056}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 81   and name HD% )
      3.400     1.400     1.400 peak  2056 spectrum    1 weight  0.11000E+01 volume  0.69256E-03 ppm1      4.386 ppm2      7.107 CV     1
 ASSI { 2057}
   (  segid "    " and resid 49   and name HG2%)
   (  segid "    " and resid 81   and name HD% )
      3.600     1.600     1.600 peak  2057 spectrum    1 weight  0.11000E+01 volume  0.48231E-03 ppm1      1.189 ppm2      7.100 CV     1
 ASSI { 2058}
   (  segid "    " and resid 49   and name HG2%)
   (  segid "    " and resid 81   and name HE% )
      3.800     1.800     1.800 peak  2058 spectrum    1 weight  0.11000E+01 volume  0.34365E-03 ppm1      1.200 ppm2      6.797 CV     1
 ASSI { 2059}
   (  segid "    " and resid 51   and name HD1%)
   (  segid "    " and resid 81   and name HD% )
      3.400     1.400     1.400 peak  2059 spectrum    1 weight  0.11000E+01 volume  0.66628E-03 ppm1      0.745 ppm2      7.100 CV     1
 ASSI { 2060}
   (  segid "    " and resid 51   and name HD1%)
   (  segid "    " and resid 81   and name HE% )
      3.300     1.400     1.400 peak  2060 spectrum    1 weight  0.11000E+01 volume  0.70501E-03 ppm1      0.745 ppm2      6.797 CV     1
 ASSI { 2061}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HE1 ))
      4.200     2.200     1.800 peak  2061 spectrum    1 weight  0.11000E+01 volume  0.17628E-03 ppm1      4.188 ppm2      7.715 CV     1
 ASSI { 2062}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 81   and name HD% )
      3.800     1.800     1.800 peak  2062 spectrum    1 weight  0.11000E+01 volume  0.33107E-03 ppm1      3.983 ppm2      7.107 CV     1
 ASSI { 2065}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 11   and name HE% )
      2.700     2.700     3.300 peak  2065 spectrum    1 weight  0.11000E+01 volume  0.23709E-02 ppm1      1.008 ppm2      7.302 CV     1
 ASSI { 2066}
   (  segid "    " and resid 13   and name HG1%)
   (  segid "    " and resid 77   and name HE% )
      2.900     1.000     1.000 peak  2066 spectrum    1 weight  0.11000E+01 volume  0.17646E-02 ppm1      0.989 ppm2      7.341 CV     1
 ASSI { 2067}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 77   and name HE% )
      3.500     1.500     1.500 peak  2067 spectrum    1 weight  0.11000E+01 volume  0.53764E-03 ppm1      0.809 ppm2      7.341 CV     1
 ASSI {    3}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      2.800     1.000     1.000 peak     3 spectrum    1 weight  0.11000E+01 volume  0.22089E-02 ppm1      8.265 ppm2      2.238 CV     1
 ASSI {    4}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.600     0.600 peak     4 spectrum    1 weight  0.11000E+01 volume  0.74276E-02 ppm1      8.530 ppm2      4.156 CV     1
 ASSI {    5}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.300     0.600     0.600 peak     5 spectrum    1 weight  0.11000E+01 volume  0.74151E-02 ppm1      8.530 ppm2      1.921 CV     1
 ASSI {   16}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.500     1.500     1.500 peak    16 spectrum    1 weight  0.11000E+01 volume  0.60538E-03 ppm1      8.712 ppm2      0.753 CV     1
 ASSI {   17}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.11000E+01 volume  0.14836E-02 ppm1      8.240 ppm2      5.360 CV     1
 ASSI {   18}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak    18 spectrum    1 weight  0.11000E+01 volume  0.37131E-02 ppm1      8.240 ppm2      2.753 CV     1
 ASSI {   21}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      3.100     1.200     1.200 peak    21 spectrum    1 weight  0.11000E+01 volume  0.10632E-02 ppm1      9.316 ppm2      1.505 CV     1
 ASSI {   26}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HG1%)
      2.800     1.000     1.000 peak    26 spectrum    1 weight  0.11000E+01 volume  0.22314E-02 ppm1      9.161 ppm2      0.914 CV     1
 ASSI {   31}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak    31 spectrum    1 weight  0.11000E+01 volume  0.16342E-02 ppm1      8.633 ppm2      4.459 CV     1
 ASSI {   32}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak    32 spectrum    1 weight  0.11000E+01 volume  0.47127E-02 ppm1      8.633 ppm2      3.975 CV     1
 ASSI {   33}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA1 ))
      2.800     1.000     1.000 peak    33 spectrum    1 weight  0.11000E+01 volume  0.21914E-02 ppm1      8.586 ppm2      4.245 CV     1
 ASSI {   35}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.500     1.500     1.500 peak    35 spectrum    1 weight  0.11000E+01 volume  0.60683E-03 ppm1      8.201 ppm2      2.784 CV     1
 ASSI {   37}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.000     1.000 peak    37 spectrum    1 weight  0.11000E+01 volume  0.18679E-02 ppm1      8.568 ppm2      2.090 CV     1
 ASSI {   38}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      2.900     1.000     1.000 peak    38 spectrum    1 weight  0.11000E+01 volume  0.17997E-02 ppm1      8.568 ppm2      2.295 CV     1
 ASSI {   42}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.300     0.600     0.600 peak    42 spectrum    1 weight  0.11000E+01 volume  0.73589E-02 ppm1      7.969 ppm2      1.772 CV     1
 ASSI {   47}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.600     0.900     0.900 peak    47 spectrum    1 weight  0.11000E+01 volume  0.32559E-02 ppm1      7.886 ppm2      1.635 CV     1
 ASSI {   49}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HD2 ))
      3.700     1.700     1.700 peak    49 spectrum    1 weight  0.11000E+01 volume  0.37843E-03 ppm1      7.886 ppm2      2.882 CV     1
 ASSI {   50}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak    50 spectrum    1 weight  0.11000E+01 volume  0.48488E-02 ppm1      9.195 ppm2      4.857 CV     1
 ASSI {   62}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak    62 spectrum    1 weight  0.11000E+01 volume  0.17304E-02 ppm1      8.212 ppm2      4.770 CV     1
 ASSI {   64}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      2.600     0.800     0.800 peak    64 spectrum    1 weight  0.11000E+01 volume  0.35432E-02 ppm1      8.212 ppm2      2.163 CV     1
 ASSI {   67}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.200     1.300     1.300 peak    67 spectrum    1 weight  0.11000E+01 volume  0.93392E-03 ppm1      8.604 ppm2      0.870 CV     1
 ASSI {   68}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.11000E+01 volume  0.35770E-02 ppm1      8.604 ppm2      0.761 CV     1
 ASSI {   69}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak    69 spectrum    1 weight  0.11000E+01 volume  0.52836E-02 ppm1      8.548 ppm2      4.916 CV     1
 ASSI {   71}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.800     1.000     1.000 peak    71 spectrum    1 weight  0.11000E+01 volume  0.23082E-02 ppm1      8.548 ppm2      1.455 CV     1
 ASSI {   72}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
      3.400     1.400     1.400 peak    72 spectrum    1 weight  0.11000E+01 volume  0.69653E-03 ppm1      8.548 ppm2      3.240 CV     1
 ASSI {   78}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak    78 spectrum    1 weight  0.11000E+01 volume  0.14773E-02 ppm1      7.864 ppm2      4.173 CV     1
 ASSI {   80}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.200     0.600     0.600 peak    80 spectrum    1 weight  0.11000E+01 volume  0.82022E-02 ppm1      7.763 ppm2      4.005 CV     1
 ASSI {   82}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.11000E+01 volume  0.23932E-02 ppm1      9.270 ppm2      4.598 CV     1
 ASSI {   98}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.300     1.300     1.300 peak    98 spectrum    1 weight  0.11000E+01 volume  0.83834E-03 ppm1      9.025 ppm2      1.704 CV     1
 ASSI {  100}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HE2 ))
      3.700     1.700     1.700 peak   100 spectrum    1 weight  0.11000E+01 volume  0.38394E-03 ppm1      9.025 ppm2      2.832 CV     1
 ASSI {  101}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.600     0.800     0.800 peak   101 spectrum    1 weight  0.11000E+01 volume  0.36907E-02 ppm1      8.013 ppm2      4.299 CV     1
 ASSI {  104}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.400     0.700     0.700 peak   104 spectrum    1 weight  0.11000E+01 volume  0.54205E-02 ppm1      7.763 ppm2      2.500 CV     1
 ASSI {  106}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   106 spectrum    1 weight  0.11000E+01 volume  0.18341E-02 ppm1      8.641 ppm2      3.293 CV     1
 ASSI {  108}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.000     1.100     1.100 peak   108 spectrum    1 weight  0.11000E+01 volume  0.14031E-02 ppm1      8.641 ppm2      0.723 CV     1
 ASSI {  118}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.400     0.700     0.700 peak   118 spectrum    1 weight  0.11000E+01 volume  0.58540E-02 ppm1      7.230 ppm2      1.544 CV     1
 ASSI {  120}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      2.600     0.900     0.900 peak   120 spectrum    1 weight  0.11000E+01 volume  0.30317E-02 ppm1      7.230 ppm2      1.524 CV     1
 ASSI {  125}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      2.300     0.600     0.600 peak   125 spectrum    1 weight  0.11000E+01 volume  0.74963E-02 ppm1      8.931 ppm2      4.239 CV     1
 ASSI {  128}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.100     1.200     1.200 peak   128 spectrum    1 weight  0.11000E+01 volume  0.12644E-02 ppm1      7.688 ppm2      0.861 CV     1
 ASSI {  131}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.700     0.700 peak   131 spectrum    1 weight  0.11000E+01 volume  0.71902E-02 ppm1      8.167 ppm2      4.340 CV     1
 ASSI {  132}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.11000E+01 volume  0.14393E-02 ppm1      8.167 ppm2      2.113 CV     1
 ASSI {  134}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG12))
      2.600     0.800     0.800 peak   134 spectrum    1 weight  0.11000E+01 volume  0.33527E-02 ppm1      8.167 ppm2      1.518 CV     1
 ASSI {  138}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      2.800     1.000     1.000 peak   138 spectrum    1 weight  0.11000E+01 volume  0.23339E-02 ppm1      9.173 ppm2      2.393 CV     1
 ASSI {  143}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.400     0.700     0.700 peak   143 spectrum    1 weight  0.11000E+01 volume  0.49950E-02 ppm1      7.289 ppm2      1.951 CV     1
 ASSI {  144}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.500     0.800     0.800 peak   144 spectrum    1 weight  0.11000E+01 volume  0.46277E-02 ppm1      7.289 ppm2      2.530 CV     1
 ASSI {  154}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.300     0.700     0.700 peak   154 spectrum    1 weight  0.11000E+01 volume  0.66404E-02 ppm1      9.106 ppm2      5.142 CV     1
 ASSI {  155}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      2.900     1.000     1.000 peak   155 spectrum    1 weight  0.11000E+01 volume  0.17860E-02 ppm1      9.106 ppm2      3.827 CV     1
 ASSI {  156}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.000     1.100     1.100 peak   156 spectrum    1 weight  0.11000E+01 volume  0.14973E-02 ppm1      9.106 ppm2      0.955 CV     1
 ASSI {  157}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak   157 spectrum    1 weight  0.11000E+01 volume  0.20553E-02 ppm1      8.847 ppm2      4.937 CV     1
 ASSI {  159}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.600     1.600     1.600 peak   159 spectrum    1 weight  0.11000E+01 volume  0.50956E-03 ppm1      8.847 ppm2      1.588 CV     1
 ASSI {  160}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      3.600     1.600     1.600 peak   160 spectrum    1 weight  0.11000E+01 volume  0.46627E-03 ppm1      8.847 ppm2      0.957 CV     1
 ASSI {  163}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak   163 spectrum    1 weight  0.11000E+01 volume  0.35332E-03 ppm1     10.248 ppm2      3.092 CV     1
 ASSI {  164}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.11000E+01 volume  0.52680E-02 ppm1      8.845 ppm2      4.243 CV     1
 ASSI {  174}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.700     0.700 peak   174 spectrum    1 weight  0.11000E+01 volume  0.71403E-02 ppm1      8.688 ppm2      3.883 CV     1
 ASSI {  175}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak   175 spectrum    1 weight  0.11000E+01 volume  0.19109E-02 ppm1      8.688 ppm2      1.422 CV     1
 ASSI {  180}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.500     0.800     0.800 peak   180 spectrum    1 weight  0.11000E+01 volume  0.39349E-02 ppm1      8.058 ppm2      2.153 CV     1
 ASSI {  181}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.11000E+01 volume  0.24588E-02 ppm1      8.058 ppm2      2.473 CV     1
 ASSI {  183}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak   183 spectrum    1 weight  0.11000E+01 volume  0.29511E-02 ppm1      8.539 ppm2      2.624 CV     1
 ASSI {  186}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
      3.400     1.500     1.500 peak   186 spectrum    1 weight  0.11000E+01 volume  0.61038E-03 ppm1      7.489 ppm2      1.683 CV     1
 ASSI {  190}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.400     0.700     0.700 peak   190 spectrum    1 weight  0.11000E+01 volume  0.54360E-02 ppm1      9.187 ppm2      2.269 CV     1
 ASSI {  192}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight  0.11000E+01 volume  0.19246E-02 ppm1      8.803 ppm2      4.778 CV     1
 ASSI {  193}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   193 spectrum    1 weight  0.11000E+01 volume  0.32284E-02 ppm1      8.803 ppm2      2.432 CV     1
 ASSI {  194}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.600     0.800     0.800 peak   194 spectrum    1 weight  0.11000E+01 volume  0.35770E-02 ppm1      8.803 ppm2      2.508 CV     1
 ASSI {  195}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.600     0.800     0.800 peak   195 spectrum    1 weight  0.11000E+01 volume  0.32803E-02 ppm1      8.887 ppm2      4.199 CV     1
 ASSI {  200}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.11000E+01 volume  0.27099E-02 ppm1      7.737 ppm2      3.352 CV     1
 ASSI {  207}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.700     0.900     0.900 peak   207 spectrum    1 weight  0.11000E+01 volume  0.25618E-02 ppm1      7.986 ppm2      4.497 CV     1
 ASSI {  209}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.800     0.800 peak   209 spectrum    1 weight  0.11000E+01 volume  0.33970E-02 ppm1      7.986 ppm2      1.759 CV     1
 ASSI {  214}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      2.800     1.000     1.000 peak   214 spectrum    1 weight  0.11000E+01 volume  0.21633E-02 ppm1      8.529 ppm2      1.597 CV     1
 ASSI {  216}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA1 ))
      2.400     0.700     0.700 peak   216 spectrum    1 weight  0.11000E+01 volume  0.52200E-02 ppm1      9.213 ppm2      4.326 CV     1
 ASSI {  218}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.600     0.600 peak   218 spectrum    1 weight  0.11000E+01 volume  0.74151E-02 ppm1      7.727 ppm2      2.823 CV     1
 ASSI {  219}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.11000E+01 volume  0.53399E-02 ppm1      8.287 ppm2      5.035 CV     1
 ASSI {  225}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   225 spectrum    1 weight  0.11000E+01 volume  0.41904E-02 ppm1      9.035 ppm2      1.667 CV     1
 ASSI {  227}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.300     1.400     1.400 peak   227 spectrum    1 weight  0.11000E+01 volume  0.79898E-03 ppm1      9.035 ppm2      0.668 CV     1
 ASSI {  229}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.400     0.700     0.700 peak   229 spectrum    1 weight  0.11000E+01 volume  0.53318E-02 ppm1      8.924 ppm2      2.968 CV     1
 ASSI {  233}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.200     1.300     1.300 peak   233 spectrum    1 weight  0.11000E+01 volume  0.10251E-02 ppm1      8.604 ppm2      0.884 CV     1
 ASSI {  234}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak   234 spectrum    1 weight  0.11000E+01 volume  0.20359E-02 ppm1      8.991 ppm2      4.617 CV     1
 ASSI {  239}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.600     0.900     0.900 peak   239 spectrum    1 weight  0.11000E+01 volume  0.30878E-02 ppm1      8.445 ppm2      3.011 CV     1
 ASSI {  245}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG12))
      3.700     1.700     1.700 peak   245 spectrum    1 weight  0.11000E+01 volume  0.40755E-03 ppm1      8.216 ppm2      1.251 CV     1
 ASSI {  251}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.600     0.600 peak   251 spectrum    1 weight  0.11000E+01 volume  0.79148E-02 ppm1      8.240 ppm2      4.612 CV     1
 ASSI {  257}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.500     1.500     1.500 peak   257 spectrum    1 weight  0.11000E+01 volume  0.60183E-03 ppm1      9.161 ppm2      1.981 CV     1
 ASSI {  259}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   259 spectrum    1 weight  0.11000E+01 volume  0.46221E-02 ppm1      8.730 ppm2      4.528 CV     1
 ASSI {  261}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.300     1.300 peak   261 spectrum    1 weight  0.11000E+01 volume  0.82335E-03 ppm1      8.586 ppm2      4.459 CV     1
 ASSI {  262}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.500     1.500     1.500 peak   262 spectrum    1 weight  0.11000E+01 volume  0.59190E-03 ppm1      8.586 ppm2      3.975 CV     1
 ASSI {  264}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.100     3.100     2.900 peak   264 spectrum    1 weight  0.11000E+01 volume  0.10657E-02 ppm1      8.633 ppm2      2.385 CV     1
 ASSI {  265}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA1 ))
      3.200     1.300     1.300 peak   265 spectrum    1 weight  0.11000E+01 volume  0.97077E-03 ppm1      8.201 ppm2      4.245 CV     1
 ASSI {  267}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.300     1.400     1.400 peak   267 spectrum    1 weight  0.11000E+01 volume  0.73901E-03 ppm1      8.568 ppm2      2.784 CV     1
 ASSI {  269}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      3.700     1.700     1.700 peak   269 spectrum    1 weight  0.11000E+01 volume  0.42660E-03 ppm1      7.991 ppm2      2.295 CV     1
 ASSI {  270}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.300     1.400     1.400 peak   270 spectrum    1 weight  0.11000E+01 volume  0.74151E-03 ppm1      7.991 ppm2      2.090 CV     1
 ASSI {  271}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     2.400     3.600 peak   271 spectrum    1 weight  0.11000E+01 volume  0.59420E-02 ppm1      7.969 ppm2      4.182 CV     1
 ASSI {  272}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      2.800     1.000     1.000 peak   272 spectrum    1 weight  0.11000E+01 volume  0.22226E-02 ppm1      7.969 ppm2      1.369 CV     1
 ASSI {  274}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      3.300     1.300     1.300 peak   274 spectrum    1 weight  0.11000E+01 volume  0.82896E-03 ppm1      7.886 ppm2      1.349 CV     1
 ASSI {  275}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.900     1.900     1.900 peak   275 spectrum    1 weight  0.11000E+01 volume  0.28386E-03 ppm1      7.886 ppm2      1.696 CV     1
 ASSI {  277}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak   277 spectrum    1 weight  0.11000E+01 volume  0.12350E-02 ppm1      9.195 ppm2      1.635 CV     1
 ASSI {  278}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.200     1.300     1.300 peak   278 spectrum    1 weight  0.11000E+01 volume  0.10176E-02 ppm1      9.195 ppm2      1.506 CV     1
 ASSI {  279}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HD2 ))
      3.900     1.900     1.900 peak   279 spectrum    1 weight  0.11000E+01 volume  0.27218E-03 ppm1      9.195 ppm2      2.882 CV     1
 ASSI {  281}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.11000E+01 volume  0.57334E-02 ppm1      8.904 ppm2      4.857 CV     1
 ASSI {  282}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.100     1.100 peak   282 spectrum    1 weight  0.11000E+01 volume  0.13431E-02 ppm1      8.904 ppm2      2.904 CV     1
 ASSI {  286}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.200     0.600     0.600 peak   286 spectrum    1 weight  0.11000E+01 volume  0.97577E-02 ppm1      8.604 ppm2      4.770 CV     1
 ASSI {  288}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.600     3.600     2.400 peak   288 spectrum    1 weight  0.11000E+01 volume  0.45565E-03 ppm1      8.604 ppm2      2.163 CV     1
 ASSI {  289}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak   289 spectrum    1 weight  0.11000E+01 volume  0.11738E-02 ppm1      8.604 ppm2      1.843 CV     1
 ASSI {  291}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.900     1.000     1.000 peak   291 spectrum    1 weight  0.11000E+01 volume  0.18653E-02 ppm1      8.548 ppm2      1.940 CV     1
 ASSI {  293}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.100     1.200     1.200 peak   293 spectrum    1 weight  0.11000E+01 volume  0.11357E-02 ppm1      8.548 ppm2      0.761 CV     1
 ASSI {  294}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.800     0.800 peak   294 spectrum    1 weight  0.11000E+01 volume  0.36907E-02 ppm1      9.272 ppm2      4.916 CV     1
 ASSI {  295}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     1.100     1.100 peak   295 spectrum    1 weight  0.11000E+01 volume  0.17086E-02 ppm1      9.272 ppm2      1.989 CV     1
 ASSI {  296}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.700     1.700     1.700 peak   296 spectrum    1 weight  0.11000E+01 volume  0.39499E-03 ppm1      7.864 ppm2      3.805 CV     1
 ASSI {  297}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
      4.000     2.000     2.000 peak   297 spectrum    1 weight  0.11000E+01 volume  0.25831E-03 ppm1      7.864 ppm2      3.300 CV     1
 ASSI {  301}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   301 spectrum    1 weight  0.11000E+01 volume  0.46446E-02 ppm1      9.270 ppm2      4.629 CV     1
 ASSI {  302}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.900     1.100     1.100 peak   302 spectrum    1 weight  0.11000E+01 volume  0.16941E-02 ppm1      9.270 ppm2      4.005 CV     1
 ASSI {  305}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.500     1.500     1.500 peak   305 spectrum    1 weight  0.11000E+01 volume  0.56922E-03 ppm1      7.763 ppm2      1.455 CV     1
 ASSI {  306}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.800     1.000     1.000 peak   306 spectrum    1 weight  0.11000E+01 volume  0.20240E-02 ppm1      7.864 ppm2      1.989 CV     1
 ASSI {  307}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak   307 spectrum    1 weight  0.11000E+01 volume  0.25338E-02 ppm1      7.763 ppm2      1.989 CV     1
 ASSI {  309}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak   309 spectrum    1 weight  0.11000E+01 volume  0.42416E-02 ppm1      8.596 ppm2      4.598 CV     1
 ASSI {  311}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak   311 spectrum    1 weight  0.11000E+01 volume  0.21602E-02 ppm1      8.542 ppm2      4.598 CV     1
 ASSI {  312}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     2.200     3.800 peak   312 spectrum    1 weight  0.11000E+01 volume  0.91330E-02 ppm1      8.542 ppm2      5.130 CV     1
 ASSI {  313}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.300     1.300 peak   313 spectrum    1 weight  0.11000E+01 volume  0.86645E-03 ppm1      8.186 ppm2      4.071 CV     1
 ASSI {  319}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      2.900     1.100     1.100 peak   319 spectrum    1 weight  0.11000E+01 volume  0.15942E-02 ppm1      8.542 ppm2      2.149 CV     1
 ASSI {  322}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.900     1.000     1.000 peak   322 spectrum    1 weight  0.11000E+01 volume  0.17941E-02 ppm1      7.970 ppm2      2.589 CV     1
 ASSI {  323}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.300     1.300 peak   323 spectrum    1 weight  0.11000E+01 volume  0.83584E-03 ppm1      9.025 ppm2      3.861 CV     1
 ASSI {  327}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.200     1.200 peak   327 spectrum    1 weight  0.11000E+01 volume  0.13168E-02 ppm1      9.025 ppm2      4.071 CV     1
 ASSI {  337}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.300     1.300     1.300 peak   337 spectrum    1 weight  0.11000E+01 volume  0.85333E-03 ppm1      8.641 ppm2      2.939 CV     1
 ASSI {  339}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.400     1.400     1.400 peak   339 spectrum    1 weight  0.11000E+01 volume  0.70840E-03 ppm1      8.477 ppm2      3.293 CV     1
 ASSI {  340}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.900     1.000     1.000 peak   340 spectrum    1 weight  0.11000E+01 volume  0.17492E-02 ppm1      8.477 ppm2      2.230 CV     1
 ASSI {  342}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      4.000     2.000     2.000 peak   342 spectrum    1 weight  0.11000E+01 volume  0.24838E-03 ppm1      8.477 ppm2      0.758 CV     1
 ASSI {  345}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.900     1.000     1.000 peak   345 spectrum    1 weight  0.11000E+01 volume  0.17547E-02 ppm1      7.230 ppm2      3.968 CV     1
 ASSI {  346}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.11000E+01 volume  0.22146E-02 ppm1      7.230 ppm2      4.284 CV     1
 ASSI {  347}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.200     1.300     1.300 peak   347 spectrum    1 weight  0.11000E+01 volume  0.93953E-03 ppm1      7.230 ppm2      1.328 CV     1
 ASSI {  349}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     1.000     1.000 peak   349 spectrum    1 weight  0.11000E+01 volume  0.19446E-02 ppm1      7.796 ppm2      1.544 CV     1
 ASSI {  350}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HD2 ))
      3.600     1.600     1.600 peak   350 spectrum    1 weight  0.11000E+01 volume  0.47339E-03 ppm1      7.796 ppm2      1.524 CV     1
 ASSI {  351}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG2 ))
      4.000     2.000     2.000 peak   351 spectrum    1 weight  0.11000E+01 volume  0.26968E-03 ppm1      7.796 ppm2      1.605 CV     1
 ASSI {  353}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.400     1.400 peak   353 spectrum    1 weight  0.11000E+01 volume  0.67842E-03 ppm1      8.931 ppm2      4.534 CV     1
 ASSI {  356}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.900     1.900     1.900 peak   356 spectrum    1 weight  0.11000E+01 volume  0.31266E-03 ppm1      8.931 ppm2      3.968 CV     1
 ASSI {  357}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     1.700     1.700 peak   357 spectrum    1 weight  0.11000E+01 volume  0.41955E-03 ppm1      7.796 ppm2      3.968 CV     1
 ASSI {  358}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      3.400     1.400     1.400 peak   358 spectrum    1 weight  0.11000E+01 volume  0.70965E-03 ppm1      7.796 ppm2      4.239 CV     1
 ASSI {  363}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.500     1.500 peak   363 spectrum    1 weight  0.11000E+01 volume  0.61038E-03 ppm1      9.173 ppm2      4.062 CV     1
 ASSI {  364}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.600     2.600     3.400 peak   364 spectrum    1 weight  0.11000E+01 volume  0.30111E-02 ppm1      9.173 ppm2      2.309 CV     1
 ASSI {  367}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak   367 spectrum    1 weight  0.11000E+01 volume  0.24532E-02 ppm1      8.712 ppm2      2.041 CV     1
 ASSI {  370}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.300     1.300     1.300 peak   370 spectrum    1 weight  0.11000E+01 volume  0.87206E-03 ppm1      9.087 ppm2      2.146 CV     1
 ASSI {  373}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      3.000     1.100     1.100 peak   373 spectrum    1 weight  0.11000E+01 volume  0.13731E-02 ppm1      7.910 ppm2      2.393 CV     1
 ASSI {  374}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.200     1.300     1.300 peak   374 spectrum    1 weight  0.11000E+01 volume  0.89268E-03 ppm1      7.910 ppm2      2.131 CV     1
 ASSI {  375}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.600     1.600     1.600 peak   375 spectrum    1 weight  0.11000E+01 volume  0.47764E-03 ppm1      7.910 ppm2      1.951 CV     1
 ASSI {  379}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      3.300     1.300     1.300 peak   379 spectrum    1 weight  0.11000E+01 volume  0.82209E-03 ppm1      7.289 ppm2      1.194 CV     1
 ASSI {  381}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.700     1.700     1.700 peak   381 spectrum    1 weight  0.11000E+01 volume  0.42310E-03 ppm1      7.289 ppm2      4.176 CV     1
 ASSI {  389}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HG12))
      3.400     1.500     1.500 peak   389 spectrum    1 weight  0.11000E+01 volume  0.61607E-03 ppm1      9.173 ppm2      1.518 CV     1
 ASSI {  390}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HG12))
      3.000     1.100     1.100 peak   390 spectrum    1 weight  0.11000E+01 volume  0.14955E-02 ppm1      7.910 ppm2      1.518 CV     1
 ASSI {  392}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG12))
      3.500     1.500     1.500 peak   392 spectrum    1 weight  0.11000E+01 volume  0.55286E-03 ppm1      8.900 ppm2      0.880 CV     1
 ASSI {  396}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HG1%)
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.11000E+01 volume  0.47621E-03 ppm1      9.106 ppm2      0.943 CV     1
 ASSI {  399}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.11000E+01 volume  0.23988E-02 ppm1      8.847 ppm2      0.955 CV     1
 ASSI {  403}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.200     0.600     0.600 peak   403 spectrum    1 weight  0.11000E+01 volume  0.84834E-02 ppm1      8.653 ppm2      4.763 CV     1
 ASSI {  404}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak   404 spectrum    1 weight  0.11000E+01 volume  0.19078E-02 ppm1      8.653 ppm2      2.056 CV     1
 ASSI {  405}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      3.900     1.900     1.900 peak   405 spectrum    1 weight  0.11000E+01 volume  0.30266E-03 ppm1      8.653 ppm2      1.842 CV     1
 ASSI {  406}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
      3.300     1.400     1.400 peak   406 spectrum    1 weight  0.11000E+01 volume  0.78087E-03 ppm1      8.653 ppm2      1.661 CV     1
 ASSI {  409}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      3.700     1.700     1.700 peak   409 spectrum    1 weight  0.11000E+01 volume  0.39699E-03 ppm1      8.058 ppm2      1.275 CV     1
 ASSI {  410}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.000     1.100     1.100 peak   410 spectrum    1 weight  0.11000E+01 volume  0.14918E-02 ppm1      8.058 ppm2      0.079 CV     1
 ASSI {  413}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.500     1.600     1.600 peak   413 spectrum    1 weight  0.11000E+01 volume  0.53587E-03 ppm1      8.653 ppm2      0.079 CV     1
 ASSI {  415}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.900     1.900     1.900 peak   415 spectrum    1 weight  0.11000E+01 volume  0.31516E-03 ppm1      8.539 ppm2      2.473 CV     1
 ASSI {  417}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA1 ))
      2.700     0.900     0.900 peak   417 spectrum    1 weight  0.11000E+01 volume  0.24188E-02 ppm1      7.489 ppm2      4.398 CV     1
 ASSI {  418}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.600     1.600     1.600 peak   418 spectrum    1 weight  0.11000E+01 volume  0.46202E-03 ppm1      7.489 ppm2      2.624 CV     1
 ASSI {  427}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak   427 spectrum    1 weight  0.11000E+01 volume  0.28504E-02 ppm1      8.887 ppm2      2.508 CV     1
 ASSI {  432}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.400     1.400 peak   432 spectrum    1 weight  0.11000E+01 volume  0.71089E-03 ppm1      7.737 ppm2      4.386 CV     1
 ASSI {  435}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA1 ))
      3.500     1.500     1.500 peak   435 spectrum    1 weight  0.11000E+01 volume  0.60826E-03 ppm1      7.737 ppm2      4.000 CV     1
 ASSI {  436}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA1 ))
      2.500     0.800     0.800 peak   436 spectrum    1 weight  0.11000E+01 volume  0.44003E-02 ppm1      6.709 ppm2      4.000 CV     1
 ASSI {  437}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   437 spectrum    1 weight  0.11000E+01 volume  0.11981E-02 ppm1      6.709 ppm2      4.199 CV     1
 ASSI {  438}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      2.900     1.000     1.000 peak   438 spectrum    1 weight  0.11000E+01 volume  0.17547E-02 ppm1      7.986 ppm2      1.621 CV     1
 ASSI {  442}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak   442 spectrum    1 weight  0.11000E+01 volume  0.31559E-02 ppm1      8.529 ppm2      1.944 CV     1
 ASSI {  443}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.300     1.300     1.300 peak   443 spectrum    1 weight  0.11000E+01 volume  0.86395E-03 ppm1      8.529 ppm2      1.759 CV     1
 ASSI {  444}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.600     1.600     1.600 peak   444 spectrum    1 weight  0.11000E+01 volume  0.50250E-03 ppm1      8.529 ppm2      3.282 CV     1
 ASSI {  447}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA1 ))
      2.700     0.900     0.900 peak   447 spectrum    1 weight  0.11000E+01 volume  0.24612E-02 ppm1      7.727 ppm2      4.326 CV     1
 ASSI {  449}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.600     0.800     0.800 peak   449 spectrum    1 weight  0.11000E+01 volume  0.34127E-02 ppm1      8.287 ppm2      2.823 CV     1
 ASSI {  452}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.300     0.700     0.700 peak   452 spectrum    1 weight  0.11000E+01 volume  0.72339E-02 ppm1      8.924 ppm2      5.030 CV     1
 ASSI {  453}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak   453 spectrum    1 weight  0.11000E+01 volume  0.14055E-02 ppm1      8.924 ppm2      1.667 CV     1
 ASSI {  454}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      3.700     1.700     1.700 peak   454 spectrum    1 weight  0.11000E+01 volume  0.42210E-03 ppm1      8.924 ppm2      1.578 CV     1
 ASSI {  455}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.500     1.600     1.600 peak   455 spectrum    1 weight  0.11000E+01 volume  0.53511E-03 ppm1      8.924 ppm2      0.668 CV     1
 ASSI {  457}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.100     1.200     1.200 peak   457 spectrum    1 weight  0.11000E+01 volume  0.10945E-02 ppm1      8.604 ppm2      2.968 CV     1
 ASSI {  460}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      3.300     1.300     1.300 peak   460 spectrum    1 weight  0.11000E+01 volume  0.87145E-03 ppm1      8.991 ppm2      0.812 CV     1
 ASSI {  462}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   462 spectrum    1 weight  0.11000E+01 volume  0.27180E-02 ppm1      8.356 ppm2      4.617 CV     1
 ASSI {  467}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.500     1.500 peak   467 spectrum    1 weight  0.11000E+01 volume  0.65217E-03 ppm1      7.727 ppm2      4.612 CV     1
 ASSI {  479}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.300     1.300     1.300 peak   479 spectrum    1 weight  0.11000E+01 volume  0.86145E-03 ppm1      8.530 ppm2      2.238 CV     1
 ASSI {  480}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.200     1.300     1.300 peak   480 spectrum    1 weight  0.11000E+01 volume  0.97514E-03 ppm1      8.240 ppm2      0.817 CV     1
 ASSI {  484}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.700     1.700     1.700 peak   484 spectrum    1 weight  0.11000E+01 volume  0.38494E-03 ppm1      8.604 ppm2      1.921 CV     1
 ASSI {  486}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.500     1.500     1.500 peak   486 spectrum    1 weight  0.11000E+01 volume  0.54154E-03 ppm1      8.604 ppm2      1.698 CV     1
 ASSI {  487}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   487 spectrum    1 weight  0.11000E+01 volume  0.39599E-03 ppm1      8.604 ppm2      4.156 CV     1
 ASSI {  490}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      4.300     2.300     1.700 peak   490 spectrum    1 weight  0.11000E+01 volume  0.15854E-03 ppm1      9.087 ppm2      0.761 CV     1
 ASSI {  492}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.300     1.300     1.300 peak   492 spectrum    1 weight  0.11000E+01 volume  0.82709E-03 ppm1      8.712 ppm2      4.770 CV     1
 ASSI {  494}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.500     2.500     1.500 peak   494 spectrum    1 weight  0.11000E+01 volume  0.13037E-03 ppm1      9.213 ppm2      2.041 CV     1
 ASSI {  495}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
      3.500     1.500     1.500 peak   495 spectrum    1 weight  0.11000E+01 volume  0.54860E-03 ppm1      9.213 ppm2      2.325 CV     1
 ASSI {  497}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.100     2.100     1.900 peak   497 spectrum    1 weight  0.11000E+01 volume  0.23170E-03 ppm1      9.213 ppm2      1.793 CV     1
 ASSI {  499}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.600     1.600     1.600 peak   499 spectrum    1 weight  0.11000E+01 volume  0.50531E-03 ppm1      8.240 ppm2      1.667 CV     1
 ASSI {  500}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak   500 spectrum    1 weight  0.11000E+01 volume  0.56066E-03 ppm1      9.035 ppm2      2.753 CV     1
 ASSI {  502}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.900     1.900     1.900 peak   502 spectrum    1 weight  0.11000E+01 volume  0.28280E-03 ppm1      9.316 ppm2      4.857 CV     1
 ASSI {  504}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.900     1.900     1.900 peak   504 spectrum    1 weight  0.11000E+01 volume  0.27855E-03 ppm1      9.316 ppm2      0.730 CV     1
 ASSI {  505}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.000     2.000     2.000 peak   505 spectrum    1 weight  0.11000E+01 volume  0.23670E-03 ppm1      9.316 ppm2      1.635 CV     1
 ASSI {  506}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      3.700     1.700     1.700 peak   506 spectrum    1 weight  0.11000E+01 volume  0.39249E-03 ppm1      9.316 ppm2      0.583 CV     1
 ASSI {  508}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.000     1.100     1.100 peak   508 spectrum    1 weight  0.11000E+01 volume  0.13231E-02 ppm1      9.161 ppm2      0.900 CV     1
 ASSI {  509}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      3.700     1.700     1.700 peak   509 spectrum    1 weight  0.11000E+01 volume  0.39899E-03 ppm1      9.161 ppm2      1.505 CV     1
 ASSI {  510}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      4.100     2.100     1.900 peak   510 spectrum    1 weight  0.11000E+01 volume  0.22071E-03 ppm1      9.161 ppm2      0.668 CV     1
 ASSI {  511}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.400     1.500     1.500 peak   511 spectrum    1 weight  0.11000E+01 volume  0.64218E-03 ppm1      9.161 ppm2      1.667 CV     1
 ASSI {  513}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      3.500     1.500     1.500 peak   513 spectrum    1 weight  0.11000E+01 volume  0.56710E-03 ppm1      8.730 ppm2      1.690 CV     1
 ASSI {  515}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      3.600     1.600     1.600 peak   515 spectrum    1 weight  0.11000E+01 volume  0.46134E-03 ppm1      8.730 ppm2      1.506 CV     1
 ASSI {  516}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 21   and name HD2 ))
      4.200     2.200     1.800 peak   516 spectrum    1 weight  0.11000E+01 volume  0.19015E-03 ppm1      8.730 ppm2      2.882 CV     1
 ASSI {  517}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.000     2.000     2.000 peak   517 spectrum    1 weight  0.11000E+01 volume  0.25444E-03 ppm1      8.633 ppm2      4.617 CV     1
 ASSI {  518}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 79   and name HB% )
      3.700     1.700     1.700 peak   518 spectrum    1 weight  0.11000E+01 volume  0.42910E-03 ppm1      8.633 ppm2      1.434 CV     1
 ASSI {  519}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.400     1.400     1.400 peak   519 spectrum    1 weight  0.11000E+01 volume  0.66655E-03 ppm1      8.633 ppm2      1.901 CV     1
 ASSI {  520}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      4.100     2.100     1.900 peak   520 spectrum    1 weight  0.11000E+01 volume  0.23101E-03 ppm1      8.633 ppm2      0.812 CV     1
 ASSI {  521}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA1 ))
      4.200     2.200     1.800 peak   521 spectrum    1 weight  0.11000E+01 volume  0.20046E-03 ppm1      8.568 ppm2      4.245 CV     1
 ASSI {  522}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.500     1.500     1.500 peak   522 spectrum    1 weight  0.11000E+01 volume  0.60614E-03 ppm1      7.991 ppm2      2.784 CV     1
 ASSI {  526}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.800     1.800     1.800 peak   526 spectrum    1 weight  0.11000E+01 volume  0.34327E-03 ppm1      7.969 ppm2      2.385 CV     1
 ASSI {  527}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 13   and name HG1%)
      3.900     1.900     1.900 peak   527 spectrum    1 weight  0.11000E+01 volume  0.30872E-03 ppm1      7.969 ppm2      0.914 CV     1
 ASSI {  528}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.11000E+01 volume  0.38343E-03 ppm1      7.969 ppm2      2.784 CV     1
 ASSI {  529}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     1.500     1.500 peak   529 spectrum    1 weight  0.11000E+01 volume  0.57066E-03 ppm1      7.969 ppm2      4.143 CV     1
 ASSI {  530}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 13   and name HG1%)
      4.000     2.000     2.000 peak   530 spectrum    1 weight  0.11000E+01 volume  0.25369E-03 ppm1      7.886 ppm2      0.914 CV     1
 ASSI {  531}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.200     1.200     1.200 peak   531 spectrum    1 weight  0.11000E+01 volume  0.10476E-02 ppm1      9.195 ppm2      1.981 CV     1
 ASSI {  532}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak   532 spectrum    1 weight  0.11000E+01 volume  0.25975E-03 ppm1      9.195 ppm2      5.360 CV     1
 ASSI {  534}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      3.700     1.700     1.700 peak   534 spectrum    1 weight  0.11000E+01 volume  0.40049E-03 ppm1      9.195 ppm2      0.583 CV     1
 ASSI {  538}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HD1%)
      3.800     1.800     1.800 peak   538 spectrum    1 weight  0.11000E+01 volume  0.34783E-03 ppm1      9.086 ppm2      0.751 CV     1
 ASSI {  540}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG  ))
      3.800     1.900     1.900 peak   540 spectrum    1 weight  0.11000E+01 volume  0.31616E-03 ppm1      8.212 ppm2      1.619 CV     1
 ASSI {  542}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.000     2.000     2.000 peak   542 spectrum    1 weight  0.11000E+01 volume  0.24838E-03 ppm1      8.604 ppm2      1.676 CV     1
 ASSI {  543}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.700     1.700     1.700 peak   543 spectrum    1 weight  0.11000E+01 volume  0.39850E-03 ppm1      8.604 ppm2      0.817 CV     1
 ASSI {  544}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.700     1.700     1.700 peak   544 spectrum    1 weight  0.11000E+01 volume  0.42261E-03 ppm1      8.604 ppm2      1.475 CV     1
 ASSI {  545}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak   545 spectrum    1 weight  0.11000E+01 volume  0.11669E-02 ppm1      8.548 ppm2      4.005 CV     1
 ASSI {  546}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.800     1.800     1.800 peak   546 spectrum    1 weight  0.11000E+01 volume  0.33327E-03 ppm1      8.548 ppm2      1.921 CV     1
 ASSI {  548}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.900     3.900     2.100 peak   548 spectrum    1 weight  0.11000E+01 volume  0.31216E-03 ppm1      7.763 ppm2      3.300 CV     1
 ASSI {  549}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak   549 spectrum    1 weight  0.11000E+01 volume  0.32971E-03 ppm1      7.864 ppm2      4.916 CV     1
 ASSI {  550}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      3.700     1.700     1.700 peak   550 spectrum    1 weight  0.11000E+01 volume  0.42461E-03 ppm1      7.763 ppm2      2.508 CV     1
 ASSI {  553}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak   553 spectrum    1 weight  0.11000E+01 volume  0.35732E-03 ppm1      7.763 ppm2      4.916 CV     1
 ASSI {  555}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.900     1.100     1.100 peak   555 spectrum    1 weight  0.11000E+01 volume  0.17141E-02 ppm1      9.270 ppm2      2.589 CV     1
 ASSI {  556}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.900     1.900     1.900 peak   556 spectrum    1 weight  0.11000E+01 volume  0.27855E-03 ppm1      9.270 ppm2      5.259 CV     1
 ASSI {  558}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.500     1.500     1.500 peak   558 spectrum    1 weight  0.11000E+01 volume  0.60538E-03 ppm1      8.596 ppm2      2.455 CV     1
 ASSI {  560}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   560 spectrum    1 weight  0.11000E+01 volume  0.28636E-03 ppm1      8.186 ppm2      3.551 CV     1
 ASSI {  561}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.700     3.700     2.300 peak   561 spectrum    1 weight  0.11000E+01 volume  0.40249E-03 ppm1      7.970 ppm2      1.880 CV     1
 ASSI {  562}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HD2 ))
      3.600     3.600     2.400 peak   562 spectrum    1 weight  0.11000E+01 volume  0.45209E-03 ppm1      7.970 ppm2      1.666 CV     1
 ASSI {  564}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak   564 spectrum    1 weight  0.11000E+01 volume  0.31416E-03 ppm1      9.025 ppm2      4.071 CV     1
 ASSI {  565}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 37   and name HB% )
      3.400     1.500     1.500 peak   565 spectrum    1 weight  0.11000E+01 volume  0.61251E-03 ppm1      9.025 ppm2      1.565 CV     1
 ASSI {  566}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HD2 ))
      3.700     1.700     1.700 peak   566 spectrum    1 weight  0.11000E+01 volume  0.41655E-03 ppm1      8.013 ppm2      1.666 CV     1
 ASSI {  567}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.600     1.600     1.600 peak   567 spectrum    1 weight  0.11000E+01 volume  0.45278E-03 ppm1      8.013 ppm2      2.214 CV     1
 ASSI {  569}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HG12))
      3.900     1.900     1.900 peak   569 spectrum    1 weight  0.11000E+01 volume  0.27286E-03 ppm1      7.763 ppm2      1.966 CV     1
 ASSI {  570}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      4.400     2.400     1.600 peak   570 spectrum    1 weight  0.11000E+01 volume  0.13962E-03 ppm1      7.763 ppm2      2.230 CV     1
 ASSI {  571}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      5.400     3.700     0.600 peak   571 spectrum    1 weight  0.11000E+01 volume  0.39668E-04 ppm1      7.763 ppm2      0.749 CV     1
 ASSI {  573}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.300     2.300     1.700 peak   573 spectrum    1 weight  0.11000E+01 volume  0.15680E-03 ppm1      8.641 ppm2      4.299 CV     1
 ASSI {  575}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      3.900     3.900     2.100 peak   575 spectrum    1 weight  0.11000E+01 volume  0.31416E-03 ppm1      8.641 ppm2      1.114 CV     1
 ASSI {  576}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HD2 ))
      4.000     2.000     2.000 peak   576 spectrum    1 weight  0.11000E+01 volume  0.25194E-03 ppm1      8.641 ppm2      1.666 CV     1
 ASSI {  577}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      4.700     2.700     1.300 peak   577 spectrum    1 weight  0.11000E+01 volume  0.98077E-04 ppm1      8.641 ppm2      0.749 CV     1
 ASSI {  578}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.800     1.800     1.800 peak   578 spectrum    1 weight  0.11000E+01 volume  0.34783E-03 ppm1      8.477 ppm2      3.961 CV     1
 ASSI {  580}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.500     3.500     2.500 peak   580 spectrum    1 weight  0.11000E+01 volume  0.53087E-03 ppm1      8.477 ppm2      2.530 CV     1
 ASSI {  582}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.000     2.000     2.000 peak   582 spectrum    1 weight  0.11000E+01 volume  0.24912E-03 ppm1      7.230 ppm2      4.223 CV     1
 ASSI {  586}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.200     2.200     1.800 peak   586 spectrum    1 weight  0.11000E+01 volume  0.19672E-03 ppm1      7.796 ppm2      3.941 CV     1
 ASSI {  588}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.700     1.700     1.700 peak   588 spectrum    1 weight  0.11000E+01 volume  0.39449E-03 ppm1      8.931 ppm2      2.023 CV     1
 ASSI {  589}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.600     1.600     1.600 peak   589 spectrum    1 weight  0.11000E+01 volume  0.50607E-03 ppm1      7.688 ppm2      2.023 CV     1
 ASSI {  590}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.700     1.700     1.700 peak   590 spectrum    1 weight  0.11000E+01 volume  0.39043E-03 ppm1      7.688 ppm2      0.856 CV     1
 ASSI {  591}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.700     1.800     1.800 peak   591 spectrum    1 weight  0.11000E+01 volume  0.37438E-03 ppm1      7.688 ppm2      2.530 CV     1
 ASSI {  592}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.100     2.100     1.900 peak   592 spectrum    1 weight  0.11000E+01 volume  0.22177E-03 ppm1      8.167 ppm2      0.783 CV     1
 ASSI {  594}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      4.100     2.100     1.900 peak   594 spectrum    1 weight  0.11000E+01 volume  0.21826E-03 ppm1      8.167 ppm2      2.530 CV     1
 ASSI {  595}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.700     1.700     1.700 peak   595 spectrum    1 weight  0.11000E+01 volume  0.40349E-03 ppm1      8.167 ppm2      3.961 CV     1
 ASSI {  596}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.800     1.800     1.800 peak   596 spectrum    1 weight  0.11000E+01 volume  0.36938E-03 ppm1      8.167 ppm2      4.239 CV     1
 ASSI {  600}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak   600 spectrum    1 weight  0.11000E+01 volume  0.29417E-03 ppm1      7.289 ppm2      4.815 CV     1
 ASSI {  603}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 49   and name HG2%)
      3.500     1.500     1.500 peak   603 spectrum    1 weight  0.11000E+01 volume  0.53942E-03 ppm1      8.445 ppm2      1.194 CV     1
 ASSI {  604}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      4.100     2.100     1.900 peak   604 spectrum    1 weight  0.11000E+01 volume  0.21726E-03 ppm1      7.289 ppm2      2.131 CV     1
 ASSI {  605}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HG12))
      3.900     1.900     1.900 peak   605 spectrum    1 weight  0.11000E+01 volume  0.29842E-03 ppm1      7.289 ppm2      1.518 CV     1
 ASSI {  606}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      2.900     1.100     1.100 peak   606 spectrum    1 weight  0.11000E+01 volume  0.16480E-02 ppm1      8.644 ppm2      0.884 CV     1
 ASSI {  607}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.200     1.200     1.200 peak   607 spectrum    1 weight  0.11000E+01 volume  0.10463E-02 ppm1      8.644 ppm2      4.815 CV     1
 ASSI {  609}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 52   and name HG1%)
      3.500     1.500     1.500 peak   609 spectrum    1 weight  0.11000E+01 volume  0.59053E-03 ppm1      8.644 ppm2      0.943 CV     1
 ASSI {  613}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      4.000     2.000     2.000 peak   613 spectrum    1 weight  0.11000E+01 volume  0.25938E-03 ppm1      8.900 ppm2      0.699 CV     1
 ASSI {  614}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      3.700     1.700     1.700 peak   614 spectrum    1 weight  0.11000E+01 volume  0.38143E-03 ppm1      8.900 ppm2      1.751 CV     1
 ASSI {  617}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      3.800     1.800     1.800 peak   617 spectrum    1 weight  0.11000E+01 volume  0.33327E-03 ppm1      9.106 ppm2      0.727 CV     1
 ASSI {  618}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.400     1.400     1.400 peak   618 spectrum    1 weight  0.11000E+01 volume  0.71840E-03 ppm1      9.106 ppm2      5.105 CV     1
 ASSI {  619}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.000     2.000     2.000 peak   619 spectrum    1 weight  0.11000E+01 volume  0.23882E-03 ppm1      9.106 ppm2      5.030 CV     1
 ASSI {  620}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak   620 spectrum    1 weight  0.11000E+01 volume  0.21352E-03 ppm1      9.106 ppm2      4.623 CV     1
 ASSI {  623}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.900     1.900     1.900 peak   623 spectrum    1 weight  0.11000E+01 volume  0.29485E-03 ppm1      8.847 ppm2      4.763 CV     1
 ASSI {  625}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
      4.200     2.200     1.800 peak   625 spectrum    1 weight  0.11000E+01 volume  0.18216E-03 ppm1     10.248 ppm2      4.243 CV     1
 ASSI {  633}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.300     1.400     1.400 peak   633 spectrum    1 weight  0.11000E+01 volume  0.75088E-03 ppm1      8.688 ppm2      1.728 CV     1
 ASSI {  635}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.500     1.500     1.500 peak   635 spectrum    1 weight  0.11000E+01 volume  0.55504E-03 ppm1      8.058 ppm2      2.455 CV     1
 ASSI {  638}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 63   and name HD2 ))
      3.600     3.600     2.400 peak   638 spectrum    1 weight  0.11000E+01 volume  0.45422E-03 ppm1      8.058 ppm2      1.381 CV     1
 ASSI {  639}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.800     1.800     1.800 peak   639 spectrum    1 weight  0.11000E+01 volume  0.31922E-03 ppm1      8.539 ppm2      0.732 CV     1
 ASSI {  640}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.100     1.200     1.200 peak   640 spectrum    1 weight  0.11000E+01 volume  0.12707E-02 ppm1      7.489 ppm2      2.153 CV     1
 ASSI {  643}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.900     1.900 peak   643 spectrum    1 weight  0.11000E+01 volume  0.31565E-03 ppm1      9.187 ppm2      5.130 CV     1
 ASSI {  644}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.100     1.200     1.200 peak   644 spectrum    1 weight  0.11000E+01 volume  0.12107E-02 ppm1      9.187 ppm2      2.788 CV     1
 ASSI {  649}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.700     1.700 peak   649 spectrum    1 weight  0.11000E+01 volume  0.44429E-03 ppm1      8.931 ppm2      4.044 CV     1
 ASSI {  651}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.600     1.600     1.600 peak   651 spectrum    1 weight  0.11000E+01 volume  0.50531E-03 ppm1      8.803 ppm2      4.005 CV     1
 ASSI {  652}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.800     1.800     1.800 peak   652 spectrum    1 weight  0.11000E+01 volume  0.33377E-03 ppm1      8.803 ppm2      4.598 CV     1
 ASSI {  653}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   653 spectrum    1 weight  0.11000E+01 volume  0.19896E-03 ppm1      8.803 ppm2      4.629 CV     1
 ASSI {  655}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.200     2.200     1.800 peak   655 spectrum    1 weight  0.11000E+01 volume  0.19540E-03 ppm1      8.803 ppm2      3.551 CV     1
 ASSI {  657}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.600     1.600     1.600 peak   657 spectrum    1 weight  0.11000E+01 volume  0.46915E-03 ppm1      8.887 ppm2      3.805 CV     1
 ASSI {  658}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.400     1.500     1.500 peak   658 spectrum    1 weight  0.11000E+01 volume  0.61107E-03 ppm1      8.887 ppm2      4.411 CV     1
 ASSI {  660}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak   660 spectrum    1 weight  0.11000E+01 volume  0.27392E-03 ppm1      8.887 ppm2      2.788 CV     1
 ASSI {  661}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.500     1.500     1.500 peak   661 spectrum    1 weight  0.11000E+01 volume  0.59333E-03 ppm1      8.887 ppm2      2.770 CV     1
 ASSI {  663}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      4.300     2.300     1.700 peak   663 spectrum    1 weight  0.11000E+01 volume  0.16480E-03 ppm1      7.804 ppm2      5.259 CV     1
 ASSI {  665}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak   665 spectrum    1 weight  0.11000E+01 volume  0.21552E-02 ppm1      7.804 ppm2      2.269 CV     1
 ASSI {  666}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      4.000     2.000     2.000 peak   666 spectrum    1 weight  0.11000E+01 volume  0.26081E-03 ppm1      7.804 ppm2      3.352 CV     1
 ASSI {  667}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.600     1.600     1.600 peak   667 spectrum    1 weight  0.11000E+01 volume  0.46277E-03 ppm1      7.804 ppm2      2.770 CV     1
 ASSI {  670}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      3.500     1.600     1.600 peak   670 spectrum    1 weight  0.11000E+01 volume  0.53161E-03 ppm1      7.737 ppm2      1.470 CV     1
 ASSI {  672}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak   672 spectrum    1 weight  0.11000E+01 volume  0.23139E-02 ppm1      7.737 ppm2      2.788 CV     1
 ASSI {  673}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.100     2.100     1.900 peak   673 spectrum    1 weight  0.11000E+01 volume  0.21826E-03 ppm1      8.803 ppm2      2.788 CV     1
 ASSI {  674}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.900     1.900     1.900 peak   674 spectrum    1 weight  0.11000E+01 volume  0.27286E-03 ppm1      7.776 ppm2      3.352 CV     1
 ASSI {  678}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak   678 spectrum    1 weight  0.11000E+01 volume  0.11738E-02 ppm1      7.986 ppm2      4.654 CV     1
 ASSI {  679}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.000     1.200     1.200 peak   679 spectrum    1 weight  0.11000E+01 volume  0.12888E-02 ppm1      7.986 ppm2      2.823 CV     1
 ASSI {  680}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      2.800     1.000     1.000 peak   680 spectrum    1 weight  0.11000E+01 volume  0.21977E-02 ppm1      7.986 ppm2      0.893 CV     1
 ASSI {  682}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.800     1.800     1.800 peak   682 spectrum    1 weight  0.11000E+01 volume  0.36788E-03 ppm1      9.213 ppm2      1.698 CV     1
 ASSI {  683}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.200     2.200     1.800 peak   683 spectrum    1 weight  0.11000E+01 volume  0.19946E-03 ppm1      9.213 ppm2      2.823 CV     1
 ASSI {  685}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.800     1.800     1.800 peak   685 spectrum    1 weight  0.11000E+01 volume  0.36838E-03 ppm1      7.727 ppm2      1.944 CV     1
 ASSI {  686}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.800     3.800     2.200 peak   686 spectrum    1 weight  0.11000E+01 volume  0.33527E-03 ppm1      7.727 ppm2      1.870 CV     1
 ASSI {  687}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      3.900     1.900     1.900 peak   687 spectrum    1 weight  0.11000E+01 volume  0.31516E-03 ppm1      7.727 ppm2      1.578 CV     1
 ASSI {  688}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      3.700     1.700     1.700 peak   688 spectrum    1 weight  0.11000E+01 volume  0.42061E-03 ppm1      7.727 ppm2      0.957 CV     1
 ASSI {  689}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      3.400     1.400     1.400 peak   689 spectrum    1 weight  0.11000E+01 volume  0.72090E-03 ppm1      8.287 ppm2      0.957 CV     1
 ASSI {  690}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      3.600     1.600     1.600 peak   690 spectrum    1 weight  0.11000E+01 volume  0.48545E-03 ppm1      9.035 ppm2      0.957 CV     1
 ASSI {  692}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      3.900     1.900     1.900 peak   692 spectrum    1 weight  0.11000E+01 volume  0.27468E-03 ppm1      8.287 ppm2      1.578 CV     1
 ASSI {  693}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      3.900     1.900     1.900 peak   693 spectrum    1 weight  0.11000E+01 volume  0.27324E-03 ppm1      9.035 ppm2      1.770 CV     1
 ASSI {  694}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      4.100     2.100     1.900 peak   694 spectrum    1 weight  0.11000E+01 volume  0.21626E-03 ppm1      9.035 ppm2      1.690 CV     1
 ASSI {  695}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak   695 spectrum    1 weight  0.11000E+01 volume  0.20615E-02 ppm1      9.035 ppm2      5.057 CV     1
 ASSI {  696}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.300     2.400     1.700 peak   696 spectrum    1 weight  0.11000E+01 volume  0.15399E-03 ppm1      9.035 ppm2      5.038 CV     1
 ASSI {  697}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.900     1.900     1.900 peak   697 spectrum    1 weight  0.11000E+01 volume  0.30054E-03 ppm1      8.924 ppm2      4.937 CV     1
 ASSI {  698}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   698 spectrum    1 weight  0.11000E+01 volume  0.27392E-03 ppm1      8.924 ppm2      5.284 CV     1
 ASSI {  700}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.100     2.200     1.900 peak   700 spectrum    1 weight  0.11000E+01 volume  0.20172E-03 ppm1      8.604 ppm2      4.459 CV     1
 ASSI {  702}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.000     2.000     2.000 peak   702 spectrum    1 weight  0.11000E+01 volume  0.23701E-03 ppm1      8.604 ppm2      3.975 CV     1
 ASSI {  703}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 13   and name HG1%)
      3.400     1.500     1.500 peak   703 spectrum    1 weight  0.11000E+01 volume  0.64718E-03 ppm1      8.604 ppm2      0.914 CV     1
 ASSI {  704}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.800     1.800     1.800 peak   704 spectrum    1 weight  0.11000E+01 volume  0.33527E-03 ppm1      8.991 ppm2      0.784 CV     1
 ASSI {  705}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      3.600     1.600     1.600 peak   705 spectrum    1 weight  0.11000E+01 volume  0.45065E-03 ppm1      8.991 ppm2      0.734 CV     1
 ASSI {  706}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      4.100     2.100     1.900 peak   706 spectrum    1 weight  0.11000E+01 volume  0.20321E-03 ppm1      8.900 ppm2      0.884 CV     1
 ASSI {  708}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.100     2.100     1.900 peak   708 spectrum    1 weight  0.11000E+01 volume  0.20921E-03 ppm1      8.991 ppm2      4.010 CV     1
 ASSI {  709}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.000     2.000     2.000 peak   709 spectrum    1 weight  0.11000E+01 volume  0.26081E-03 ppm1      8.991 ppm2      4.112 CV     1
 ASSI {  710}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.300     2.300     1.700 peak   710 spectrum    1 weight  0.11000E+01 volume  0.16960E-03 ppm1      8.356 ppm2      3.975 CV     1
 ASSI {  714}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.300     0.600     0.600 peak   714 spectrum    1 weight  0.11000E+01 volume  0.73276E-02 ppm1      8.530 ppm2      2.008 CV     1
 ASSI {  715}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      3.500     1.500     1.500 peak   715 spectrum    1 weight  0.11000E+01 volume  0.56353E-03 ppm1      8.530 ppm2      1.455 CV     1
 ASSI {  716}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.400     2.500     1.600 peak   716 spectrum    1 weight  0.11000E+01 volume  0.13250E-03 ppm1      9.087 ppm2      1.843 CV     1
 ASSI {  717}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      3.900     1.900     1.900 peak   717 spectrum    1 weight  0.11000E+01 volume  0.27255E-03 ppm1      9.087 ppm2      1.940 CV     1
 ASSI {  719}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 73   and name HA1 ))
      2.800     1.000     1.000 peak   719 spectrum    1 weight  0.11000E+01 volume  0.21465E-02 ppm1      8.712 ppm2      4.326 CV     1
 ASSI {  721}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   721 spectrum    1 weight  0.11000E+01 volume  0.71089E-03 ppm1      8.712 ppm2      5.360 CV     1
 ASSI {  722}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 23   and name HG  ))
      3.600     1.600     1.600 peak   722 spectrum    1 weight  0.11000E+01 volume  0.49613E-03 ppm1      8.712 ppm2      1.223 CV     1
 ASSI {  724}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.200     2.200     1.800 peak   724 spectrum    1 weight  0.11000E+01 volume  0.18341E-03 ppm1      9.316 ppm2      1.728 CV     1
 ASSI {  725}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.700     1.800     1.800 peak   725 spectrum    1 weight  0.11000E+01 volume  0.37088E-03 ppm1      9.161 ppm2      1.901 CV     1
 ASSI {  726}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.500     2.500     1.500 peak   726 spectrum    1 weight  0.11000E+01 volume  0.12294E-03 ppm1      9.161 ppm2      4.542 CV     1
 ASSI {  727}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   727 spectrum    1 weight  0.11000E+01 volume  0.25512E-03 ppm1      8.730 ppm2      4.143 CV     1
 ASSI {  728}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.600     1.700     1.700 peak   728 spectrum    1 weight  0.11000E+01 volume  0.44641E-03 ppm1      8.730 ppm2      1.772 CV     1
 ASSI {  729}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      4.300     2.300     1.700 peak   729 spectrum    1 weight  0.11000E+01 volume  0.15580E-03 ppm1      8.633 ppm2      0.884 CV     1
 ASSI {  730}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.600     2.600     1.400 peak   730 spectrum    1 weight  0.11000E+01 volume  0.11051E-03 ppm1      8.586 ppm2      2.784 CV     1
 ASSI {  731}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.300     2.300     1.700 peak   731 spectrum    1 weight  0.11000E+01 volume  0.16229E-03 ppm1      8.586 ppm2      2.326 CV     1
 ASSI {  732}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.000     2.000     2.000 peak   732 spectrum    1 weight  0.11000E+01 volume  0.23419E-03 ppm1      8.201 ppm2      2.326 CV     1
 ASSI {  734}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.000     2.000     2.000 peak   734 spectrum    1 weight  0.11000E+01 volume  0.24413E-03 ppm1      7.991 ppm2      1.772 CV     1
 ASSI {  735}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.100     2.100     1.900 peak   735 spectrum    1 weight  0.11000E+01 volume  0.21652E-03 ppm1      7.991 ppm2      4.183 CV     1
 ASSI {  736}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     2.700     3.300 peak   736 spectrum    1 weight  0.11000E+01 volume  0.24332E-02 ppm1      7.886 ppm2      1.772 CV     1
 ASSI {  738}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak   738 spectrum    1 weight  0.11000E+01 volume  0.16054E-03 ppm1      8.904 ppm2      5.360 CV     1
 ASSI {  739}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.100     2.100     1.900 peak   739 spectrum    1 weight  0.11000E+01 volume  0.22920E-03 ppm1      9.086 ppm2      1.436 CV     1
 ASSI {  740}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.800     1.800     1.800 peak   740 spectrum    1 weight  0.11000E+01 volume  0.33527E-03 ppm1      8.845 ppm2      3.827 CV     1
 ASSI {  744}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.500     1.500     1.500 peak   744 spectrum    1 weight  0.11000E+01 volume  0.58272E-03 ppm1      8.924 ppm2      3.827 CV     1
 ASSI {  749}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 23   and name HD1%)
      4.100     2.100     1.900 peak   749 spectrum    1 weight  0.11000E+01 volume  0.23245E-03 ppm1      8.212 ppm2      0.751 CV     1
 ASSI {  751}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.000     2.000     2.000 peak   751 spectrum    1 weight  0.11000E+01 volume  0.24200E-03 ppm1      8.212 ppm2      1.728 CV     1
 ASSI {  754}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 46   and name HD1%)
      4.400     2.400     1.600 peak   754 spectrum    1 weight  0.11000E+01 volume  0.14973E-03 ppm1      7.289 ppm2      0.929 CV     1
 ASSI {  757}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      4.200     4.200     1.800 peak   757 spectrum    1 weight  0.11000E+01 volume  0.19946E-03 ppm1      9.272 ppm2      1.114 CV     1
 ASSI {  758}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      4.300     2.300     1.700 peak   758 spectrum    1 weight  0.11000E+01 volume  0.16835E-03 ppm1      7.969 ppm2      2.295 CV     1
 ASSI {  761}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      4.000     2.000     2.000 peak   761 spectrum    1 weight  0.11000E+01 volume  0.25725E-03 ppm1      9.106 ppm2      0.884 CV     1
 ASSI {  763}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HD2 ))
      4.100     2.100     1.900 peak   763 spectrum    1 weight  0.11000E+01 volume  0.20496E-03 ppm1      6.709 ppm2      3.300 CV     1
 ASSI {  764}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.800     1.800     1.800 peak   764 spectrum    1 weight  0.11000E+01 volume  0.36132E-03 ppm1      6.709 ppm2      1.959 CV     1
 ASSI {  765}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      4.100     2.100     1.900 peak   765 spectrum    1 weight  0.11000E+01 volume  0.21652E-03 ppm1      9.272 ppm2      0.725 CV     1
 ASSI {  766}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.100     2.100     1.900 peak   766 spectrum    1 weight  0.11000E+01 volume  0.20846E-03 ppm1      9.272 ppm2      4.173 CV     1
 ASSI {  767}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 35   and name HG1%)
      4.200     2.200     1.800 peak   767 spectrum    1 weight  0.11000E+01 volume  0.19515E-03 ppm1      9.270 ppm2      1.114 CV     1
 ASSI {  769}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.500     0.800     0.800 peak   769 spectrum    1 weight  0.11000E+01 volume  0.39574E-02 ppm1      6.709 ppm2      3.352 CV     1
 ASSI {  770}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.100     2.100     1.900 peak   770 spectrum    1 weight  0.11000E+01 volume  0.22745E-03 ppm1      7.737 ppm2      2.269 CV     1
 ASSI {  771}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.400     2.400     1.600 peak   771 spectrum    1 weight  0.11000E+01 volume  0.15130E-03 ppm1      7.737 ppm2      2.432 CV     1
 ASSI {  772}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      4.500     2.600     1.500 peak   772 spectrum    1 weight  0.11000E+01 volume  0.12044E-03 ppm1      7.776 ppm2      1.470 CV     1
 ASSI {  773}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.500     3.500     2.500 peak   773 spectrum    1 weight  0.11000E+01 volume  0.57915E-03 ppm1      8.924 ppm2      0.955 CV     1
 ASSI {  774}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.100     2.100     1.900 peak   774 spectrum    1 weight  0.11000E+01 volume  0.22032E-03 ppm1      8.931 ppm2      4.275 CV     1
 ASSI {  775}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.900     1.900     1.900 peak   775 spectrum    1 weight  0.11000E+01 volume  0.30516E-03 ppm1      8.931 ppm2      1.544 CV     1
 ASSI {  777}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 39   and name HD1%)
      4.100     2.100     1.900 peak   777 spectrum    1 weight  0.11000E+01 volume  0.21377E-03 ppm1      9.025 ppm2      0.758 CV     1
 ASSI {  778}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.400     2.400     1.600 peak   778 spectrum    1 weight  0.11000E+01 volume  0.14655E-03 ppm1      7.917 ppm2      4.223 CV     1
 ASSI {  779}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      4.500     2.500     1.500 peak   779 spectrum    1 weight  0.11000E+01 volume  0.12913E-03 ppm1      8.477 ppm2      4.284 CV     1
 ASSI {  780}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HA1 ))
      4.300     2.400     1.700 peak   780 spectrum    1 weight  0.11000E+01 volume  0.15255E-03 ppm1      7.230 ppm2      4.239 CV     1
 ASSI {  781}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     3.100     2.900 peak   781 spectrum    1 weight  0.11000E+01 volume  0.11795E-02 ppm1      8.712 ppm2      1.475 CV     1
# Restraints file 2: dihedrals.tbl
! using 2 times the talos error! 

! using 2 times the talos error! 

!    7 E 	TALOS PHI = -101.06 +/- 21.91  
ASSIGN (resid    6 and name C ) (resid    7 and name N )
       (resid    7 and name CA) (resid    7 and name C )  1.00  -101.06   43.82   2

!    7 E 	TALOS PSI = 135.95 +/- 26.18  
ASSIGN (resid    7 and name N ) (resid    7 and name CA )
       (resid    7 and name C) (resid    8 and name N )  1.00   135.95   52.37   2

!    8 L 	TALOS PHI = -107.46 +/- 20.90  
ASSIGN (resid    7 and name C ) (resid    8 and name N )
       (resid    8 and name CA) (resid    8 and name C )  1.00  -107.46   41.80   2

!    8 L 	TALOS PSI = 128.07 +/- 21.56  
ASSIGN (resid    8 and name N ) (resid    8 and name CA )
       (resid    8 and name C) (resid    9 and name N )  1.00   128.07   43.12   2

!    9 P 	TALOS PHI = -66.01 +/- 12.79  
ASSIGN (resid    8 and name C ) (resid    9 and name N )
       (resid    9 and name CA) (resid    9 and name C )  1.00  -66.01   25.59   2

!    9 P 	TALOS PSI = 141.69 +/- 13.67  
ASSIGN (resid    9 and name N ) (resid    9 and name CA )
       (resid    9 and name C) (resid   10 and name N )  1.00   141.69   27.34   2

!   10 L 	TALOS PHI = -121.73 +/- 17.98  
ASSIGN (resid    9 and name C ) (resid   10 and name N )
       (resid   10 and name CA) (resid   10 and name C )  1.00  -121.73   35.95   2

!   10 L 	TALOS PSI = 157.16 +/- 14.08  
ASSIGN (resid   10 and name N ) (resid   10 and name CA )
       (resid   10 and name C) (resid   11 and name N )  1.00   157.16   28.16   2

!   11 F 	TALOS PHI = -130.95 +/- 19.07  
ASSIGN (resid   10 and name C ) (resid   11 and name N )
       (resid   11 and name CA) (resid   11 and name C )  1.00  -130.95   38.15   2

!   11 F 	TALOS PSI = 137.14 +/- 15.08  
ASSIGN (resid   11 and name N ) (resid   11 and name CA )
       (resid   11 and name C) (resid   12 and name N )  1.00   137.14   30.17   2

!   12 L 	TALOS PHI = -120.00 +/- 18.41  
ASSIGN (resid   11 and name C ) (resid   12 and name N )
       (resid   12 and name CA) (resid   12 and name C )  1.00  -120.00   36.83   2

!   12 L 	TALOS PSI = 114.66 +/-  6.48  
ASSIGN (resid   12 and name N ) (resid   12 and name CA )
       (resid   12 and name C) (resid   13 and name N )  1.00   114.66   12.96   2

!   13 V 	TALOS PHI = -109.30 +/-  9.20  
ASSIGN (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -109.30   18.40   2

!   13 V 	TALOS PSI = 127.10 +/-  8.96  
ASSIGN (resid   13 and name N ) (resid   13 and name CA )
       (resid   13 and name C) (resid   14 and name N )  1.00   127.10   17.93   2

!   14 E 	TALOS PHI = -95.68 +/- 27.90  
ASSIGN (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -95.68   55.79   2

!   14 E 	TALOS PSI = 146.86 +/- 12.14  
ASSIGN (resid   14 and name N ) (resid   14 and name CA )
       (resid   14 and name C) (resid   15 and name N )  1.00   146.86   24.28   2

!   15 S 	TALOS PHI = -66.00 +/- 18.00  
ASSIGN (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -66.00   27.00   2

!   16 G 	TALOS PHI = -65.56 +/-  4.21  
ASSIGN (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )  1.00  -65.56   10.0   2

!   16 G 	TALOS PSI = -38.65 +/-  7.84  
ASSIGN (resid   16 and name N ) (resid   16 and name CA )
       (resid   16 and name C) (resid   17 and name N )  1.00  -38.65   15.68   2

!   17 D 	TALOS PHI = -64.20 +/-  4.80  
!ASSIGN (resid   16 and name C ) (resid   17 and name N )
!       (resid   17 and name CA) (resid   17 and name C )  1.00  -64.20   10.0   2

!   17 D 	TALOS PSI = -38.03 +/-  9.42  
!ASSIGN (resid   17 and name N ) (resid   17 and name CA )
!       (resid   17 and name C) (resid   18 and name N )  1.00  -38.03   18.84   2

!   18 E 	TALOS PHI = -66.38 +/-  6.85  
ASSIGN (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.00  -66.38   13.71   2

!   18 E 	TALOS PSI = -35.27 +/- 11.20  
ASSIGN (resid   18 and name N ) (resid   18 and name CA )
       (resid   18 and name C) (resid   19 and name N )  1.00  -35.27   22.39   2

!   19 A 	TALOS PHI = -72.10 +/- 12.40  
ASSIGN (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )  1.00  -72.10   24.80   2

!   19 A 	TALOS PSI = -28.45 +/- 18.52  
ASSIGN (resid   19 and name N ) (resid   19 and name CA )
       (resid   19 and name C) (resid   20 and name N )  1.00  -28.45   37.04   2

!   20 K 	TALOS PHI = -94.00 +/-  9.00  
ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -94.00   18.00   2

!   21 R 	TALOS PHI = -121.81 +/- 16.95  
ASSIGN (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.00  -121.81   33.90   2

!   21 R 	TALOS PSI = 144.28 +/- 17.18  
ASSIGN (resid   21 and name N ) (resid   21 and name CA )
       (resid   21 and name C) (resid   22 and name N )  1.00   144.28   34.35   2

!   22 H 	TALOS PHI = -128.65 +/- 11.98  
ASSIGN (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.00  -128.65   23.96   2

!   22 H 	TALOS PSI = 135.63 +/-  9.63  
ASSIGN (resid   22 and name N ) (resid   22 and name CA )
       (resid   22 and name C) (resid   23 and name N )  1.00   135.63   19.26   2

!   23 L 	TALOS PHI = -97.58 +/- 19.54  
ASSIGN (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -97.58   39.09   2

!   23 L 	TALOS PSI = 123.20 +/-  8.08  
ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name C) (resid   24 and name N )  1.00   123.20   16.16   2

!   24 L 	TALOS PHI = -118.91 +/- 17.58  
ASSIGN (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -118.91   35.17   2

!   24 L 	TALOS PSI = 141.05 +/- 15.62  
ASSIGN (resid   24 and name N ) (resid   24 and name CA )
       (resid   24 and name C) (resid   25 and name N )  1.00   141.05   31.24   2

!   25 Q 	TALOS PHI = -106.66 +/- 18.54  
ASSIGN (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -106.66   37.08   2

!   25 Q 	TALOS PSI = 131.19 +/- 19.52  
ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name C) (resid   26 and name N )  1.00   131.19   39.03   2

!   26 V 	TALOS PHI = -119.72 +/- 20.26  
ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -119.72   40.52   2

!   26 V 	TALOS PSI = 145.89 +/- 13.54  
ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00   145.89   27.08   2

!   27 R 	TALOS PHI = -80.80 +/- 28.19  
ASSIGN (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -80.80   56.38   2

!   27 R 	TALOS PSI = 162.21 +/- 10.76  
ASSIGN (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.00   162.21   21.52   2

!   28 R 	TALOS PHI = -58.83 +/-  9.37  
ASSIGN (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -58.83   18.74   2

!   28 R 	TALOS PSI = -28.73 +/- 11.11  
ASSIGN (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.00  -28.73   22.21   2

!   29 S 	TALOS PHI = -92.99 +/- 11.21  
ASSIGN (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -92.99   22.41   2

!   29 S 	TALOS PSI =  2.31 +/- 15.19  
ASSIGN (resid   29 and name N ) (resid   29 and name CA )
       (resid   29 and name C) (resid   30 and name N )  1.00   2.31   30.38   2

!   30 S 	TALOS PHI = -73.96 +/- 23.33  
ASSIGN (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.00  -73.96   46.67   2

!   30 S 	TALOS PSI = 139.19 +/- 17.64  
ASSIGN (resid   30 and name N ) (resid   30 and name CA )
       (resid   30 and name C) (resid   31 and name N )  1.00   139.19   35.27   2

!   31 S 	TALOS PHI = -84.78 +/- 24.57  
ASSIGN (resid   30 and name C ) (resid   31 and name N )
       (resid   31 and name CA) (resid   31 and name C )  1.00  -84.78   49.15   2

!   31 S 	TALOS PSI = 164.24 +/-  9.33  
ASSIGN (resid   31 and name N ) (resid   31 and name CA )
       (resid   31 and name C) (resid   32 and name N )  1.00   164.24   18.66   2

!   32 V 	TALOS PHI = -57.85 +/-  4.97  
ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -57.85   10.0   2

!   32 V 	TALOS PSI = -42.15 +/-  3.97  
ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00  -42.15   10.0   2

!   33 A 	TALOS PHI = -58.82 +/-  5.70  
ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -58.82   11.40   2

!   33 A 	TALOS PSI = -44.20 +/-  5.31  
ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00  -44.20   10.63   2

!   34 Q 	TALOS PHI = -64.62 +/-  6.60  
ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -64.62   13.19   2

!   34 Q 	TALOS PSI = -39.54 +/-  7.69  
ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00  -39.54   15.38   2

!   35 V 	TALOS PHI = -67.78 +/-  4.85  
ASSIGN (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -67.78   10.0   2

!   35 V 	TALOS PSI = -43.85 +/-  3.77  
ASSIGN (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name C) (resid   36 and name N )  1.00  -43.85   10.0   2

!   36 K 	TALOS PHI = -61.59 +/-  4.75  
ASSIGN (resid   35 and name C ) (resid   36 and name N )
       (resid   36 and name CA) (resid   36 and name C )  1.00  -61.59   10.0   2

!   36 K 	TALOS PSI = -41.84 +/-  6.98  
ASSIGN (resid   36 and name N ) (resid   36 and name CA )
       (resid   36 and name C) (resid   37 and name N )  1.00  -41.84   13.96   2

!   37 A 	TALOS PHI = -66.05 +/-  3.11  
ASSIGN (resid   36 and name C ) (resid   37 and name N )
       (resid   37 and name CA) (resid   37 and name C )  1.00  -66.05   10.0   2

!   37 A 	TALOS PSI = -41.40 +/-  4.58  
ASSIGN (resid   37 and name N ) (resid   37 and name CA )
       (resid   37 and name C) (resid   38 and name N )  1.00  -41.40   10.0   2

!   38 M 	TALOS PHI = -62.11 +/-  7.95  
ASSIGN (resid   37 and name C ) (resid   38 and name N )
       (resid   38 and name CA) (resid   38 and name C )  1.00  -62.11   15.91   2

!   38 M 	TALOS PSI = -44.89 +/-  5.03  
ASSIGN (resid   38 and name N ) (resid   38 and name CA )
       (resid   38 and name C) (resid   39 and name N )  1.00  -44.89   10.06   2

!   39 I 	TALOS PHI = -64.17 +/-  3.18  
ASSIGN (resid   38 and name C ) (resid   39 and name N )
       (resid   39 and name CA) (resid   39 and name C )  1.00  -64.17   10.0   2

!   39 I 	TALOS PSI = -42.04 +/-  6.96  
ASSIGN (resid   39 and name N ) (resid   39 and name CA )
       (resid   39 and name C) (resid   40 and name N )  1.00  -42.04   13.92   2

!   40 E 	TALOS PHI = -63.67 +/-  8.78  
ASSIGN (resid   39 and name C ) (resid   40 and name N )
       (resid   40 and name CA) (resid   40 and name C )  1.00  -63.67   17.56   2

!   40 E 	TALOS PSI = -42.28 +/-  6.75  
ASSIGN (resid   40 and name N ) (resid   40 and name CA )
       (resid   40 and name C) (resid   41 and name N )  1.00  -42.28   13.50   2

!   41 T 	TALOS PHI = -63.76 +/-  4.36  
ASSIGN (resid   40 and name C ) (resid   41 and name N )
       (resid   41 and name CA) (resid   41 and name C )  1.00  -63.76   10.00   2

!   41 T 	TALOS PSI = -39.88 +/- 12.43  
ASSIGN (resid   41 and name N ) (resid   41 and name CA )
       (resid   41 and name C) (resid   42 and name N )  1.00  -39.88   24.86   2

!   42 K 	TALOS PHI = -144.00 +/- 37.00  
ASSIGN (resid   41 and name C ) (resid   42 and name N )
       (resid   42 and name CA) (resid   42 and name C )  1.00  -144.00   37.00   2

!   42 K 	TALOS PSI = 145.00 +/- 38.00  
ASSIGN (resid   42 and name N ) (resid   42 and name CA )
       (resid   42 and name C) (resid   43 and name N )  1.00   -25.00   26.00   2

!   43 T 	TALOS PHI = -121.43 +/- 16.54  
ASSIGN (resid   42 and name C ) (resid   43 and name N )
       (resid   43 and name CA) (resid   43 and name C )  1.00  -121.43   33.09   2

!   43 T 	TALOS PSI = 145.47 +/- 23.27  
ASSIGN (resid   43 and name N ) (resid   43 and name CA )
       (resid   43 and name C) (resid   44 and name N )  1.00   -14.47   46.53   2

!   44 G 	TALOS PHI = -113.00 +/- 41.00  
ASSIGN (resid   43 and name C ) (resid   44 and name N )
       (resid   44 and name CA) (resid   44 and name C )  1.00  75.00   21.00   2

!   44 G 	TALOS PSI = 138.00 +/- 26.00  
ASSIGN (resid   44 and name N ) (resid   44 and name CA )
       (resid   44 and name C) (resid   45 and name N )  1.00   10.00   20.00   2

!   45 I 	TALOS PHI = -107.27 +/- 33.76  
ASSIGN (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -107.27   33.76   2

!   45 I 	TALOS PSI = 136.11 +/- 18.77  
ASSIGN (resid   45 and name N ) (resid   45 and name CA )
       (resid   45 and name C) (resid   46 and name N )  1.00   136.11   18.77   2

!   46 I 	TALOS PHI = -74.13 +/- 13.30  
ASSIGN (resid   45 and name C ) (resid   46 and name N )
       (resid   46 and name CA) (resid   46 and name C )  1.00  -74.13   26.60   2

!   46 I 	TALOS PSI = 148.94 +/- 10.99  
ASSIGN (resid   46 and name N ) (resid   46 and name CA )
       (resid   46 and name C) (resid   47 and name N )  1.00   148.94   21.97   2

!   47 P 	TALOS PHI = -49.18 +/-  4.85  
ASSIGN (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -49.18   10.0   2

!   47 P 	TALOS PSI = -39.36 +/-  5.19  
ASSIGN (resid   47 and name N ) (resid   47 and name CA )
       (resid   47 and name C) (resid   48 and name N )  1.00  -39.36   10.38   2

!   48 E 	TALOS PHI = -68.28 +/- 12.71  
ASSIGN (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -68.28   25.41   2

!   48 E 	TALOS PSI = -28.87 +/- 12.70  
ASSIGN (resid   48 and name N ) (resid   48 and name CA )
       (resid   48 and name C) (resid   49 and name N )  1.00  -28.87   25.39   2

!   49 T 	TALOS PHI = -96.92 +/- 11.07  
ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -96.92   22.14   2

!   49 T 	TALOS PSI = -14.07 +/-  5.49  
ASSIGN (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name C) (resid   50 and name N )  1.00  -14.07   10.98   2

!   50 Q 	TALOS PHI = -73.01 +/- 20.10  
ASSIGN (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -73.01   40.19   2

!   50 Q 	TALOS PSI = 143.91 +/- 16.91  
ASSIGN (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name C) (resid   51 and name N )  1.00   143.91   33.82   2

!   51 I 	TALOS PHI = -114.66 +/- 16.18  
ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -114.66   32.36   2

!   51 I 	TALOS PSI = 127.23 +/- 13.42  
ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00   127.23   26.84   2

!   52 V 	TALOS PHI = -116.06 +/-  9.57  
ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -116.06   19.13   2

!   52 V 	TALOS PSI = 131.79 +/- 14.94  
ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00   131.79   29.89   2

!   53 T 	TALOS PHI = -121.54 +/- 13.28  
ASSIGN (resid   52 and name C ) (resid   53 and name N )
       (resid   53 and name CA) (resid   53 and name C )  1.00  -121.54   26.55   2

!   53 T 	TALOS PSI = 135.96 +/- 14.98  
ASSIGN (resid   53 and name N ) (resid   53 and name CA )
       (resid   53 and name C) (resid   54 and name N )  1.00   135.96   29.97   2

!   54 L 	TALOS PHI = -122.47 +/- 11.61  
!ASSIGN (resid   53 and name C ) (resid   54 and name N )
!       (resid   54 and name CA) (resid   54 and name C )  1.00  -122.47   23.21   2

!   54 L 	TALOS PSI = 124.41 +/- 13.75  
!ASSIGN (resid   54 and name N ) (resid   54 and name CA )
!       (resid   54 and name C) (resid   55 and name N )  1.00   124.41   27.49   2

!   55 N 	TALOS PHI = -70.67 +/- 16.04  
ASSIGN (resid   54 and name C ) (resid   55 and name N )
       (resid   55 and name CA) (resid   55 and name C )  1.00  -70.67   32.07   2

!   55 N 	TALOS PSI = 125.33 +/- 12.66  
ASSIGN (resid   55 and name N ) (resid   55 and name CA )
       (resid   55 and name C) (resid   56 and name N )  1.00   125.33   25.31   2

!   57 K 	TALOS PHI = -100.96 +/- 24.70  
ASSIGN (resid   56 and name C ) (resid   57 and name N )
       (resid   57 and name CA) (resid   57 and name C )  1.00  -100.96   49.40   2

!   57 K 	TALOS PSI = 149.29 +/- 17.37  
ASSIGN (resid   57 and name N ) (resid   57 and name CA )
       (resid   57 and name C) (resid   58 and name N )  1.00   149.29   34.73   2

!   58 R 	TALOS PHI = -103.00 +/- 30.87  
ASSIGN (resid   57 and name C ) (resid   58 and name N )
       (resid   58 and name CA) (resid   58 and name C )  1.00  -103.00   30.87   2

!   58 R 	TALOS PSI = 133.21 +/- 18.44  
ASSIGN (resid   58 and name N ) (resid   58 and name CA )
       (resid   58 and name C) (resid   59 and name N )  1.00   133.21   36.89   2

!   59 L 	TALOS PHI = -83.73 +/- 13.70  
ASSIGN (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -83.73   27.40   2

!   59 L 	TALOS PSI = 132.32 +/- 22.05  
ASSIGN (resid   59 and name N ) (resid   59 and name CA )
       (resid   59 and name C) (resid   60 and name N )  1.00   132.32   44.10   2

!   60 E 	TALOS PHI = -109.16 +/- 27.21  
ASSIGN (resid   59 and name C ) (resid   60 and name N )
       (resid   60 and name CA) (resid   60 and name C )  1.00  -109.16   54.41   2

!   60 E 	TALOS PSI = 151.93 +/- 11.04  
ASSIGN (resid   60 and name N ) (resid   60 and name CA )
       (resid   60 and name C) (resid   61 and name N )  1.00   151.93   22.07   2

!   61 D 	TALOS PHI = -59.00 +/- 12.00  
ASSIGN (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -59.00   24.00   2

!   61 D 	TALOS PSI = 131.00 +/- 11.00  
ASSIGN (resid   61 and name N ) (resid   61 and name CA )
       (resid   61 and name C) (resid   62 and name N )  1.00   131.00   22.00   2

!   62 G 	TALOS PHI = 81.00 +/- 11.00  
ASSIGN (resid   61 and name C ) (resid   62 and name N )
       (resid   62 and name CA) (resid   62 and name C )  1.00   81.00   22.00   2

!   62 G 	TALOS PSI = -2.00 +/- 15.00  
ASSIGN (resid   62 and name N ) (resid   62 and name CA )
       (resid   62 and name C) (resid   63 and name N )  1.00  -2.00   30.00   2

!   63 K 	TALOS PHI = -96.22 +/- 19.11  
ASSIGN (resid   62 and name C ) (resid   63 and name N )
       (resid   63 and name CA) (resid   63 and name C )  1.00  -96.22   38.22   2

!   63 K 	TALOS PSI = 130.60 +/- 28.91  
ASSIGN (resid   63 and name N ) (resid   63 and name CA )
       (resid   63 and name C) (resid   64 and name N )  1.00   130.60   57.81   2

!   64 M 	TALOS PHI = -84.16 +/-  7.38  
ASSIGN (resid   63 and name C ) (resid   64 and name N )
       (resid   64 and name CA) (resid   64 and name C )  1.00  -84.16   14.77   2

!   64 M 	TALOS PSI = 168.41 +/-  7.46  
ASSIGN (resid   64 and name N ) (resid   64 and name CA )
       (resid   64 and name C) (resid   65 and name N )  1.00   168.41   14.92   2

!   65 M 	TALOS PHI = -60.67 +/-  3.14  
ASSIGN (resid   64 and name C ) (resid   65 and name N )
       (resid   65 and name CA) (resid   65 and name C )  1.00  -60.67   10.0   2

!   65 M 	TALOS PSI = -36.71 +/-  5.25  
ASSIGN (resid   65 and name N ) (resid   65 and name CA )
       (resid   65 and name C) (resid   66 and name N )  1.00  -36.71   10.51   2

!   66 A 	TALOS PHI = -63.74 +/-  4.31  
ASSIGN (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.00  -63.74   10.0   2

!   66 A 	TALOS PSI = -39.25 +/-  4.07  
ASSIGN (resid   66 and name N ) (resid   66 and name CA )
       (resid   66 and name C) (resid   67 and name N )  1.00  -39.25   10.13   2

!   67 D 	TALOS PHI = -62.34 +/-  5.93  
ASSIGN (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.00  -62.34   11.85   2

!   67 D 	TALOS PSI = -37.13 +/-  6.10  
ASSIGN (resid   67 and name N ) (resid   67 and name CA )
       (resid   67 and name C) (resid   68 and name N )  1.00  -37.13   12.20   2

!   68 Y 	TALOS PHI = -96.17 +/- 11.49  
ASSIGN (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.00  -96.17   22.97   2

!   68 Y 	TALOS PSI = -1.10 +/- 17.20  
ASSIGN (resid   68 and name N ) (resid   68 and name CA )
       (resid   68 and name C) (resid   69 and name N )  1.00  -1.10   34.40   2

!   69 G 	TALOS PHI = 62.94 +/- 11.92  
ASSIGN (resid   68 and name C ) (resid   69 and name N )
       (resid   69 and name CA) (resid   69 and name C )  1.00   62.94   23.84   2

!   69 G 	TALOS PSI = 37.65 +/- 10.80  
ASSIGN (resid   69 and name N ) (resid   69 and name CA )
       (resid   69 and name C) (resid   70 and name N )  1.00   37.65   21.59   2

!   70 I 	TALOS PHI = -102.00 +/- 31.00  
ASSIGN (resid   69 and name C ) (resid   70 and name N )
       (resid   70 and name CA) (resid   70 and name C )  1.00  -102.00   31.00   2

!   70 I 	TALOS PSI = 165.00 +/- 49.00  
!ASSIGN (resid   70 and name N ) (resid   70 and name CA )
!       (resid   70 and name C) (resid   71 and name N )  1.00   165.00   49.00   2

!   71 R 	TALOS PHI = -125.30 +/- 20.37  
ASSIGN (resid   70 and name C ) (resid   71 and name N )
       (resid   71 and name CA) (resid   71 and name C )  1.00  -125.30   40.73   2

!   71 R 	TALOS PSI = 151.28 +/- 11.63  
ASSIGN (resid   71 and name N ) (resid   71 and name CA )
       (resid   71 and name C) (resid   72 and name N )  1.00   151.28   23.26   2

!   72 K 	TALOS PHI = -57.13 +/-  5.75  
ASSIGN (resid   71 and name C ) (resid   72 and name N )
       (resid   72 and name CA) (resid   72 and name C )  1.00  -57.13   11.50   2

!   72 K 	TALOS PSI = 138.26 +/-  8.24  
!ASSIGN (resid   72 and name N ) (resid   72 and name CA )
!       (resid   72 and name C) (resid   73 and name N )  1.00   138.26   16.48   2

!   73 G 	TALOS PHI = 99.00 +/-  9.00  
!ASSIGN (resid   72 and name C ) (resid   73 and name N )
!       (resid   73 and name CA) (resid   73 and name C )  1.00   99.00   18.00   2

!   73 G 	TALOS PSI = -14.00 +/-  9.00  
!ASSIGN (resid   73 and name N ) (resid   73 and name CA )
!       (resid   73 and name C) (resid   74 and name N )  1.00  -14.00   18.00   2

!   74 N 	TALOS PHI = -89.00 +/- 25.00  
ASSIGN (resid   73 and name C ) (resid   74 and name N )
       (resid   74 and name CA) (resid   74 and name C )  1.00  -89.00   50.00   2

!   74 N 	TALOS PSI = 133.00 +/- 37.00  
ASSIGN (resid   74 and name N ) (resid   74 and name CA )
       (resid   74 and name C) (resid   75 and name N )  1.00   133.00   74.00   2


!   75 L 	TALOS PHI = -113.77 +/- 22.67  
ASSIGN (resid   74 and name C ) (resid   75 and name N )
       (resid   75 and name CA) (resid   75 and name C )  1.00  -113.77   45.34   2

!   75 L 	TALOS PSI = 141.24 +/- 15.10  
ASSIGN (resid   75 and name N ) (resid   75 and name CA )
       (resid   75 and name C) (resid   76 and name N )  1.00   141.24   30.20   2

!   76 L 	TALOS PHI = -112.48 +/- 10.37  
ASSIGN (resid   75 and name C ) (resid   76 and name N )
       (resid   76 and name CA) (resid   76 and name C )  1.00  -112.48   20.74   2

!   76 L 	TALOS PSI = 134.17 +/- 14.29  
ASSIGN (resid   76 and name N ) (resid   76 and name CA )
       (resid   76 and name C) (resid   77 and name N )  1.00   134.17   28.59   2

!   77 F 	TALOS PHI = -97.32 +/- 23.57  
ASSIGN (resid   76 and name C ) (resid   77 and name N )
       (resid   77 and name CA) (resid   77 and name C )  1.00  -97.32   47.15   2

!   77 F 	TALOS PSI = 130.65 +/- 12.30  
ASSIGN (resid   77 and name N ) (resid   77 and name CA )
       (resid   77 and name C) (resid   78 and name N )  1.00   130.65   24.60   2

!   78 L 	TALOS PHI = -106.79 +/- 16.81  
ASSIGN (resid   77 and name C ) (resid   78 and name N )
       (resid   78 and name CA) (resid   78 and name C )  1.00  -106.79   33.62   2

!   78 L 	TALOS PSI = 118.97 +/- 11.31  
ASSIGN (resid   78 and name N ) (resid   78 and name CA )
       (resid   78 and name C) (resid   79 and name N )  1.00   118.97   22.62   2

!   79 A 	TALOS PHI = -123.49 +/- 22.76  
ASSIGN (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.00  -123.49   45.52   2

!   79 A 	TALOS PSI = 146.17 +/- 12.01  
ASSIGN (resid   79 and name N ) (resid   79 and name CA )
       (resid   79 and name C) (resid   80 and name N )  1.00   146.17   24.01   2

!   80 S 	TALOS PHI = -108.68 +/- 31.33  
ASSIGN (resid   79 and name C ) (resid   80 and name N )
       (resid   80 and name CA) (resid   80 and name C )  1.00  -108.68   62.66   2

!   80 S 	TALOS PSI = 146.38 +/- 13.55  
ASSIGN (resid   80 and name N ) (resid   80 and name CA )
       (resid   80 and name C) (resid   81 and name N )  1.00   146.38   27.11   2

# Restraints file 3: hbonds.tbl
! parallel b
assign ( residue 73 and name HN ) ( residue 9 and name O ) 1.80 0.00 0.50
assign ( residue 73 and name N ) ( residue 9 and name O ) 2.80 0.00 0.50

assign ( residue 11 and name HN ) ( residue 74 and name O ) 1.80 0.00 0.50
assign ( residue 11 and name N ) ( residue 74 and name O ) 2.80 0.00 0.50

assign ( residue 76 and name HN ) ( residue 11 and name O ) 1.80 0.00 0.50
assign ( residue 76 and name N ) ( residue 11 and name O ) 2.80 0.00 0.50

assign ( residue 13 and name HN ) ( residue 76 and name O ) 1.80 0.00 0.50
assign ( residue 13 and name N ) ( residue 76 and name O ) 2.80 0.00 0.50

assign ( residue 78 and name HN ) ( residue 13 and name O ) 1.80 0.00 0.50
assign ( residue 78 and name N ) ( residue 13 and name O ) 2.80 0.00 0.50

assign ( residue 15 and name HN ) ( residue 78 and name O ) 1.80 0.00 0.50
assign ( residue 15 and name N ) ( residue 78 and name O ) 2.80 0.00 0.50

! anti-parallel b
assign ( residue 8 and name HN ) ( residue 26 and name O ) 1.80 0.00 0.50
assign ( residue 8 and name N ) ( residue 26 and name O ) 2.80 0.00 0.50

assign ( residue 26 and name HN ) ( residue 8 and name O ) 1.80 0.00 0.50
assign ( residue 26 and name N ) ( residue 8 and name O ) 2.80 0.00 0.50

assign ( residue 24 and name HN ) ( residue 10 and name O ) 1.80 0.00 0.50
assign ( residue 24 and name N ) ( residue 10 and name O ) 2.80 0.00 0.50

assign ( residue 10 and name HN ) ( residue 24 and name O ) 1.80 0.00 0.50
assign ( residue 10 and name N ) ( residue 24 and name O ) 2.80 0.00 0.50

assign ( residue 22 and name HN ) ( residue 12 and name O ) 1.80 0.00 0.50
assign ( residue 22 and name N ) ( residue 12 and name O ) 2.80 0.00 0.50

assign ( residue 12 and name HN ) ( residue 22 and name O ) 1.80 0.00 0.50
assign ( residue 12 and name N ) ( residue 22 and name O ) 2.80 0.00 0.50

!assign ( residue 20 and name HN ) ( residue 14 and name O ) 1.80 0.00 0.50
!assign ( residue 20 and name N ) ( residue 14 and name O ) 2.80 0.00 0.50

!assign ( residue 14 and name HN ) ( residue 20 and name O ) 1.80 0.00 0.50
!assign ( residue 14 and name N ) ( residue 20 and name O ) 2.80 0.00 0.50

! anti-parallel
assign ( residue 81 and name HN ) ( residue 49 and name O ) 1.80 0.00 0.50
assign ( residue 81 and name N ) ( residue 49 and name O ) 2.80 0.00 0.50

assign ( residue 51 and name HN ) ( residue 79 and name O ) 1.80 0.00 0.50
assign ( residue 51 and name N ) ( residue 79 and name O ) 2.80 0.00 0.50

assign ( residue 79 and name HN ) ( residue 51 and name O ) 1.80 0.00 0.50
assign ( residue 79 and name N ) ( residue 51 and name O ) 2.80 0.00 0.50

assign ( residue 53 and name HN ) ( residue 77 and name O ) 1.80 0.00 0.50
assign ( residue 53 and name N ) ( residue 77 and name O ) 2.80 0.00 0.50

assign ( residue 77 and name HN ) ( residue 53 and name O ) 1.80 0.00 0.50
assign ( residue 77 and name N ) ( residue 53 and name O ) 2.80 0.00 0.50

! anti-parallel
assign ( residue 54 and name HN ) ( residue 57 and name O ) 1.80 0.00 0.50
assign ( residue 54 and name N ) ( residue 57 and name O ) 2.80 0.00 0.50

assign ( residue 57 and name HN ) ( residue 54 and name O ) 1.80 0.00 0.50
assign ( residue 57 and name N ) ( residue 54 and name O ) 2.80 0.00 0.50

assign ( residue 59 and name HN ) ( residue 52 and name O ) 1.80 0.00 0.50
assign ( residue 59 and name N ) ( residue 52 and name O ) 2.80 0.00 0.50

! a-helix 1
assign ( residue   35 and name HN  ) ( residue   31  and name O )  1.80  0.00  0.50
assign ( residue   35 and name N  )  ( residue   31  and name O )  2.80  0.00  0.50

assign ( residue   36 and name HN  ) ( residue   32  and name O )  1.80  0.00  0.50
assign ( residue   36 and name N  )  ( residue   32  and name O )  2.80  0.00  0.50

assign ( residue   37 and name HN  ) ( residue   33  and name O )  1.80  0.00  0.50
assign ( residue   37 and name N  )  ( residue   33  and name O )  2.80  0.00  0.50

assign ( residue   38 and name HN  ) ( residue   34  and name O )  1.80  0.00  0.50
assign ( residue   38 and name N  )  ( residue   34  and name O )  2.80  0.00  0.50

assign ( residue   39 and name HN  ) ( residue   35  and name O )  1.80  0.00  0.50
assign ( residue   39 and name N  )  ( residue   35  and name O )  2.80  0.00  0.50

assign ( residue   40 and name HN  ) ( residue   36  and name O )  1.80  0.00  0.50
assign ( residue   40 and name N  )  ( residue   36  and name O )  2.80  0.00  0.50

assign ( residue   41 and name HN  ) ( residue   37  and name O )  1.80  0.00  0.50
assign ( residue   41 and name N  )  ( residue   37  and name O )  2.80  0.00  0.50

assign ( residue   42 and name HN  ) ( residue   38  and name O )  1.80  0.00  0.50
assign ( residue   42 and name N  )  ( residue   38  and name O )  2.80  0.00  0.50

assign ( residue   43 and name HN  ) ( residue   39  and name O )  1.80  0.00  0.50
assign ( residue   43 and name N  )  ( residue   39  and name O )  2.80  0.00  0.50

! a-helix 2
assign ( residue   67 and name HN  ) ( residue   64  and name O )  1.60  0.00  0.50
assign ( residue   67 and name N  )  ( residue   64  and name O )  2.60  0.00  0.50

assign ( residue   68 and name HN  ) ( residue   65  and name O )  1.60  0.00  0.50
assign ( residue   68 and name N  )  ( residue   65  and name O )  2.60  0.00  0.50

assign ( residue   69 and name HN  ) ( residue   66  and name O )  1.60  0.00  0.50
assign ( residue   69 and name N  )  ( residue   66  and name O )  2.60  0.00  0.50

!assign ( residue   70 and name HN  ) ( residue   64  and name O )  1.60  0.00  0.50
!assign ( residue   70 and name N  )  ( residue   64  and name O )  2.60  0.00  0.50


!
assign ( residue   49 and name HN  ) ( residue   47  and name O )  1.80  0.00  0.50
assign ( residue   49 and name N  )  ( residue   47  and name O )  2.80  0.00  0.50

assign ( residue   50 and name HN  ) ( residue   47  and name O )  1.80  0.00  0.50
assign ( residue   50 and name N  )  ( residue   47  and name O )  2.80  0.00  0.50

assign ( residue   32 and name HN  ) ( residue   63  and name O )  1.80  0.00  0.50
assign ( residue   32 and name N  )  ( residue   63  and name O )  2.80  0.00  0.50

assign ( residue   65 and name HN  ) ( residue   30  and name O )  1.80  0.00  0.50
assign ( residue   65 and name N  )  ( residue   30  and name O )  2.80  0.00  0.50

assign ( residue   66 and name HN  ) ( residue   28  and name O )  1.80  0.00  0.50
assign ( residue   66 and name N  )  ( residue   28  and name O )  2.80  0.00  0.50

assign ( residue   30 and name HN  ) ( residue   27  and name O )  1.80  0.00  0.50
assign ( residue   30 and name N  )  ( residue   27  and name O )  2.80  0.00  0.50


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1 -21.425  -0.014 -12.380
    2    H2   GLY   1           H2       GLY   1 -21.961   0.069 -10.778
    3    H3   GLY   1           H3       GLY   1 -22.010   1.446 -11.757
    4    HA2  GLY   1           HA2      GLY   1 -23.656   0.418 -13.190
    5    HA3  GLY   1           HA1      GLY   1 -23.596  -1.026 -12.190
    6    H    ALA   2           HN       ALA   2 -23.396   0.399  -9.683
    7    HA   ALA   2           HA       ALA   2 -25.874   1.933  -9.534
    8    HB1  ALA   2           HB1      ALA   2 -26.801   0.551  -7.762
    9    HB2  ALA   2           HB2      ALA   2 -26.561  -0.401  -9.228
   10    HB3  ALA   2           HB3      ALA   2 -25.430  -0.552  -7.883
   11    H    MET   3           HN       MET   3 -26.235   2.502  -7.070
   12    HA   MET   3           HA       MET   3 -23.903   3.959  -6.274
   13    HB2  MET   3           HB2      MET   3 -26.648   3.643  -5.070
   14    HB3  MET   3           HB3      MET   3 -25.388   4.593  -4.296
   15    HG2  MET   3           HG2      MET   3 -26.838   6.042  -5.538
   16    HG3  MET   3           HG3      MET   3 -25.252   6.004  -6.306
   17    HE1  MET   3           HE1      MET   3 -27.654   6.456  -9.358
   18    HE2  MET   3           HE2      MET   3 -27.912   7.123  -7.747
   19    HE3  MET   3           HE3      MET   3 -26.296   7.122  -8.451
   20    H    GLY   4           HN       GLY   4 -22.299   3.227  -5.061
   21    HA2  GLY   4           HA1      GLY   4 -22.545   1.925  -2.620
   22    HA3  GLY   4           HA2      GLY   4 -22.346   0.668  -3.831
   23    H    ASP   5           HN       ASP   5 -20.669   2.121  -1.586
   24    HA   ASP   5           HA       ASP   5 -18.285   2.724  -3.163
   25    HB2  ASP   5           HB2      ASP   5 -18.794   3.002  -0.192
   26    HB3  ASP   5           HB3      ASP   5 -17.337   3.526  -1.032
   27    H    GLU   6           HN       GLU   6 -16.838   1.207  -3.559
   28    HA   GLU   6           HA       GLU   6 -16.672  -1.105  -1.742
   29    HB2  GLU   6           HB2      GLU   6 -15.951  -0.889  -4.671
   30    HB3  GLU   6           HB3      GLU   6 -15.696  -2.319  -3.680
   31    HG2  GLU   6           HG2      GLU   6 -18.360  -1.063  -4.299
   32    HG3  GLU   6           HG3      GLU   6 -17.699  -2.512  -5.054
   33    H    GLU   7           HN       GLU   7 -14.607   0.767  -3.973
   34    HA   GLU   7           HA       GLU   7 -12.152  -0.033  -2.975
   35    HB2  GLU   7           HB2      GLU   7 -12.688   2.715  -4.045
   36    HB3  GLU   7           HB3      GLU   7 -11.231   1.746  -4.198
   37    HG2  GLU   7           HG2      GLU   7 -12.081   1.405  -6.227
   38    HG3  GLU   7           HG3      GLU   7 -12.918   0.107  -5.405
   39    H    LEU   8           HN       LEU   8 -10.631   1.018  -1.596
   40    HA   LEU   8           HA       LEU   8 -11.808   2.890   0.340
   41    HB2  LEU   8           HB2      LEU   8 -10.010   0.559   1.004
   42    HB3  LEU   8           HB3      LEU   8 -10.604   1.748   2.147
   43    HG   LEU   8           HG       LEU   8 -12.284  -0.254   0.634
   44   HD11  LEU   8          HD11      LEU   8 -10.924  -1.205   2.448
   45   HD12  LEU   8          HD12      LEU   8 -11.638  -0.045   3.570
   46   HD13  LEU   8          HD13      LEU   8 -12.651  -1.266   2.800
   47   HD21  LEU   8          HD21      LEU   8 -14.141   0.566   1.997
   48   HD22  LEU   8          HD22      LEU   8 -13.094   1.810   2.679
   49   HD23  LEU   8          HD23      LEU   8 -13.494   1.838   0.963
   50    HA   PRO   9           HA       PRO   9  -8.230   5.329  -0.578
   51    HB2  PRO   9           HB2      PRO   9  -8.505   6.513   2.099
   52    HB3  PRO   9           HB3      PRO   9  -8.660   7.276   0.514
   53    HG2  PRO   9           HG2      PRO   9 -10.795   6.851   2.090
   54    HG3  PRO   9           HG3      PRO   9 -10.897   6.733   0.323
   55    HD2  PRO   9           HD2      PRO   9 -10.689   4.542   2.361
   56    HD3  PRO   9           HD3      PRO   9 -11.705   4.631   0.907
   57    H    LEU  10           HN       LEU  10  -6.081   5.911   0.323
   58    HA   LEU  10           HA       LEU  10  -5.138   4.339   2.568
   59    HB2  LEU  10           HB2      LEU  10  -4.184   3.894  -0.253
   60    HB3  LEU  10           HB3      LEU  10  -3.243   3.440   1.153
   61    HG   LEU  10           HG       LEU  10  -6.019   2.409   0.658
   62   HD11  LEU  10          HD11      LEU  10  -5.066   0.433  -0.293
   63   HD12  LEU  10          HD12      LEU  10  -4.457   1.818  -1.193
   64   HD13  LEU  10          HD13      LEU  10  -3.430   1.019  -0.002
   65   HD21  LEU  10          HD21      LEU  10  -5.259   0.626   2.209
   66   HD22  LEU  10          HD22      LEU  10  -3.776   1.542   2.470
   67   HD23  LEU  10          HD23      LEU  10  -5.329   2.227   2.947
   68    H    PHE  11           HN       PHE  11  -2.850   4.749   3.000
   69    HA   PHE  11           HA       PHE  11  -2.028   7.441   2.135
   70    HB2  PHE  11           HB2      PHE  11  -2.118   6.270   4.911
   71    HB3  PHE  11           HB3      PHE  11  -1.149   7.689   4.525
   72    HD1  PHE  11           HD1      PHE  11  -4.443   6.404   5.223
   73    HD2  PHE  11           HD2      PHE  11  -2.286   9.770   3.782
   74    HE1  PHE  11           HE1      PHE  11  -6.418   7.819   5.595
   75    HE2  PHE  11           HE2      PHE  11  -4.256  11.197   4.148
   76    HZ   PHE  11           HZ       PHE  11  -6.328  10.222   5.057
   77    H    LEU  12           HN       LEU  12  -0.060   7.429   1.247
   78    HA   LEU  12           HA       LEU  12   1.717   5.170   1.867
   79    HB2  LEU  12           HB2      LEU  12   1.328   6.888  -0.531
   80    HB3  LEU  12           HB3      LEU  12   2.925   6.227  -0.243
   81    HG   LEU  12           HG       LEU  12   1.525   4.867  -1.790
   82   HD11  LEU  12          HD11      LEU  12   2.058   2.719  -0.767
   83   HD12  LEU  12          HD12      LEU  12   3.380   3.867  -0.555
   84   HD13  LEU  12          HD13      LEU  12   2.298   3.511   0.790
   85   HD21  LEU  12          HD21      LEU  12  -0.097   4.327   0.696
   86   HD22  LEU  12          HD22      LEU  12  -0.638   5.244  -0.712
   87   HD23  LEU  12          HD23      LEU  12  -0.286   3.522  -0.863
   88    H    VAL  13           HN       VAL  13   3.269   5.543   3.276
   89    HA   VAL  13           HA       VAL  13   4.403   8.256   3.443
   90    HB   VAL  13           HB       VAL  13   4.589   6.159   5.598
   91   HG11  VAL  13          HG11      VAL  13   6.203   7.954   5.729
   92   HG12  VAL  13          HG12      VAL  13   4.918   9.154   5.597
   93   HG13  VAL  13          HG13      VAL  13   5.014   8.120   7.022
   94   HG21  VAL  13          HG21      VAL  13   2.715   7.246   6.724
   95   HG22  VAL  13          HG22      VAL  13   2.502   8.326   5.344
   96   HG23  VAL  13          HG23      VAL  13   2.219   6.595   5.161
   97    H    GLU  14           HN       GLU  14   6.245   8.324   2.320
   98    HA   GLU  14           HA       GLU  14   7.838   6.079   1.717
   99    HB2  GLU  14           HB2      GLU  14   8.037   9.017   1.355
  100    HB3  GLU  14           HB3      GLU  14   9.524   8.095   1.229
  101    HG2  GLU  14           HG2      GLU  14   7.068   7.353  -0.309
  102    HG3  GLU  14           HG3      GLU  14   8.222   8.543  -0.905
  103    H    SER  15           HN       SER  15   9.253   5.040   2.914
  104    HA   SER  15           HA       SER  15   9.889   5.780   5.558
  105    HB2  SER  15           HB2      SER  15   9.911   3.445   4.822
  106    HB3  SER  15           HB3      SER  15  11.270   3.784   3.751
  107    HG   SER  15           HG       SER  15  11.775   2.856   5.882
  108    H    GLY  16           HN       GLY  16  11.677   6.117   2.528
  109    HA2  GLY  16           HA1      GLY  16  14.089   7.009   3.713
  110    HA3  GLY  16           HA2      GLY  16  13.621   7.245   2.036
  111    H    ASP  17           HN       ASP  17  11.168   8.673   2.724
  112    HA   ASP  17           HA       ASP  17  12.093  11.055   4.114
  113    HB2  ASP  17           HB2      ASP  17  11.227  11.091   1.216
  114    HB3  ASP  17           HB3      ASP  17  11.421  12.528   2.215
  115    H    GLU  18           HN       GLU  18  10.532  11.418   5.528
  116    HA   GLU  18           HA       GLU  18   7.900  10.448   5.307
  117    HB2  GLU  18           HB2      GLU  18   7.437  11.815   7.296
  118    HB3  GLU  18           HB3      GLU  18   8.927  10.896   7.464
  119    HG2  GLU  18           HG2      GLU  18  10.259  12.814   7.101
  120    HG3  GLU  18           HG3      GLU  18   8.866  13.757   6.577
  121    H    ALA  19           HN       ALA  19   9.401  13.270   4.074
  122    HA   ALA  19           HA       ALA  19   7.178  15.000   3.941
  123    HB1  ALA  19           HB1      ALA  19   9.469  15.783   3.651
  124    HB2  ALA  19           HB2      ALA  19   9.596  14.878   2.143
  125    HB3  ALA  19           HB3      ALA  19   8.468  16.228   2.269
  126    H    LYS  20           HN       LYS  20   8.268  12.380   1.883
  127    HA   LYS  20           HA       LYS  20   6.507  13.022  -0.275
  128    HB2  LYS  20           HB2      LYS  20   7.746  10.325   0.166
  129    HB3  LYS  20           HB3      LYS  20   7.350  11.116  -1.352
  130    HG2  LYS  20           HG2      LYS  20   9.582  11.846   0.531
  131    HG3  LYS  20           HG3      LYS  20   9.734  11.085  -1.054
  132    HD2  LYS  20           HD2      LYS  20   8.701  13.117  -2.055
  133    HD3  LYS  20           HD3      LYS  20   8.742  13.871  -0.461
  134    HE2  LYS  20           HE2      LYS  20  11.182  13.599  -0.411
  135    HE3  LYS  20           HE3      LYS  20  11.127  12.877  -2.019
  136    HZ1  LYS  20           HZ1      LYS  20  11.725  15.207  -2.131
  137    HZ2  LYS  20           HZ2      LYS  20  10.301  15.646  -1.330
  138    HZ3  LYS  20           HZ3      LYS  20  10.225  14.956  -2.872
  139    H    ARG  21           HN       ARG  21   4.402  13.060   0.364
  140    HA   ARG  21           HA       ARG  21   3.291  10.536   1.393
  141    HB2  ARG  21           HB2      ARG  21   3.012  13.260   2.352
  142    HB3  ARG  21           HB3      ARG  21   1.449  12.543   1.980
  143    HG2  ARG  21           HG2      ARG  21   3.471  11.115   3.652
  144    HG3  ARG  21           HG3      ARG  21   2.317  12.263   4.341
  145    HD2  ARG  21           HD2      ARG  21   1.453   9.996   2.575
  146    HD3  ARG  21           HD3      ARG  21   1.651   9.801   4.316
  147    HE   ARG  21           HE       ARG  21  -0.160  11.264   4.674
  148   HH11  ARG  21          HH11      ARG  21  -1.086  11.283   0.781
  149   HH12  ARG  21          HH12      ARG  21   0.444  10.660   1.300
  150   HH21  ARG  21          HH21      ARG  21  -2.575  12.099   2.318
  151   HH22  ARG  21          HH22      ARG  21  -2.172  12.094   4.002
  152    H    HIS  22           HN       HIS  22   1.649   9.621   0.305
  153    HA   HIS  22           HA       HIS  22   0.240  11.170  -1.740
  154    HB2  HIS  22           HB2      HIS  22   0.887   8.561  -2.798
  155    HB3  HIS  22           HB3      HIS  22   1.197  10.151  -3.491
  156    HD2  HIS  22           HD2      HIS  22   3.114   7.219  -2.140
  157    HE1  HIS  22           HE1      HIS  22   5.678  10.556  -1.791
  158    H    LEU  23           HN       LEU  23  -1.852  10.870  -1.462
  159    HA   LEU  23           HA       LEU  23  -2.851   8.494  -0.089
  160    HB2  LEU  23           HB2      LEU  23  -3.550  10.942   0.373
  161    HB3  LEU  23           HB3      LEU  23  -4.497  10.801  -1.091
  162    HG   LEU  23           HG       LEU  23  -4.836   9.111   1.392
  163   HD11  LEU  23          HD11      LEU  23  -6.894  10.325   1.708
  164   HD12  LEU  23          HD12      LEU  23  -5.545  11.458   1.635
  165   HD13  LEU  23          HD13      LEU  23  -6.605  11.258   0.239
  166   HD21  LEU  23          HD21      LEU  23  -5.456   7.799  -0.511
  167   HD22  LEU  23          HD22      LEU  23  -6.934   8.378   0.255
  168   HD23  LEU  23          HD23      LEU  23  -6.344   9.149  -1.218
  169    H    LEU  24           HN       LEU  24  -3.597   6.795  -1.190
  170    HA   LEU  24           HA       LEU  24  -4.665   7.243  -3.899
  171    HB2  LEU  24           HB2      LEU  24  -3.084   4.814  -3.111
  172    HB3  LEU  24           HB3      LEU  24  -3.595   5.286  -4.714
  173    HG   LEU  24           HG       LEU  24  -1.544   6.742  -3.049
  174   HD11  LEU  24          HD11      LEU  24  -0.716   4.581  -3.744
  175   HD12  LEU  24          HD12      LEU  24  -1.245   4.873  -5.402
  176   HD13  LEU  24          HD13      LEU  24   0.053   5.845  -4.704
  177   HD21  LEU  24          HD21      LEU  24  -2.786   8.185  -4.595
  178   HD22  LEU  24          HD22      LEU  24  -1.105   7.991  -5.088
  179   HD23  LEU  24          HD23      LEU  24  -2.378   7.104  -5.925
  180    H    GLN  25           HN       GLN  25  -6.517   6.225  -4.383
  181    HA   GLN  25           HA       GLN  25  -7.794   4.694  -2.262
  182    HB2  GLN  25           HB2      GLN  25  -9.855   4.993  -3.483
  183    HB3  GLN  25           HB3      GLN  25  -9.031   6.540  -3.378
  184    HG2  GLN  25           HG2      GLN  25  -9.543   6.653  -5.556
  185    HG3  GLN  25           HG3      GLN  25  -8.085   5.679  -5.737
  186   HE21  GLN  25          HE21      GLN  25  -9.600   3.392  -4.437
  187   HE22  GLN  25          HE22      GLN  25 -10.538   2.732  -5.722
  188    H    VAL  26           HN       VAL  26  -7.827   2.567  -2.250
  189    HA   VAL  26           HA       VAL  26  -7.916   1.054  -4.738
  190    HB   VAL  26           HB       VAL  26  -5.913   0.270  -2.642
  191   HG11  VAL  26          HG11      VAL  26  -4.963  -1.044  -4.490
  192   HG12  VAL  26          HG12      VAL  26  -6.637  -1.479  -4.147
  193   HG13  VAL  26          HG13      VAL  26  -6.256  -0.468  -5.541
  194   HG21  VAL  26          HG21      VAL  26  -5.182   2.439  -3.397
  195   HG22  VAL  26          HG22      VAL  26  -4.144   1.200  -4.102
  196   HG23  VAL  26          HG23      VAL  26  -5.397   1.963  -5.081
  197    H    ARG  27           HN       ARG  27  -9.064  -0.841  -4.535
  198    HA   ARG  27           HA       ARG  27 -10.774  -1.178  -2.352
  199    HB2  ARG  27           HB2      ARG  27  -9.948  -3.425  -4.183
  200    HB3  ARG  27           HB3      ARG  27 -11.481  -3.215  -3.349
  201    HG2  ARG  27           HG2      ARG  27 -12.073  -1.384  -4.769
  202    HG3  ARG  27           HG3      ARG  27 -10.472  -1.402  -5.508
  203    HD2  ARG  27           HD2      ARG  27 -10.899  -3.612  -6.431
  204    HD3  ARG  27           HD3      ARG  27 -12.479  -3.648  -5.647
  205    HE   ARG  27           HE       ARG  27 -12.194  -1.387  -7.360
  206   HH11  ARG  27          HH11      ARG  27 -13.757  -4.777  -8.809
  207   HH12  ARG  27          HH12      ARG  27 -12.843  -4.812  -7.339
  208   HH21  ARG  27          HH21      ARG  27 -14.070  -2.802  -9.922
  209   HH22  ARG  27          HH22      ARG  27 -13.395  -1.335  -9.297
  210    H    ARG  28           HN       ARG  28 -10.830  -2.677  -0.689
  211    HA   ARG  28           HA       ARG  28  -8.313  -3.258   0.507
  212    HB2  ARG  28           HB2      ARG  28  -9.788  -4.568   2.155
  213    HB3  ARG  28           HB3      ARG  28  -9.994  -2.829   2.071
  214    HG2  ARG  28           HG2      ARG  28 -12.062  -2.972   1.182
  215    HG3  ARG  28           HG3      ARG  28 -11.719  -4.484   0.331
  216    HD2  ARG  28           HD2      ARG  28 -13.192  -5.109   2.034
  217    HD3  ARG  28           HD3      ARG  28 -11.591  -5.528   2.646
  218    HE   ARG  28           HE       ARG  28 -12.018  -3.016   3.593
  219   HH11  ARG  28          HH11      ARG  28 -14.480  -5.660   5.317
  220   HH12  ARG  28          HH12      ARG  28 -13.775  -6.020   3.777
  221   HH21  ARG  28          HH21      ARG  28 -14.006  -3.679   6.366
  222   HH22  ARG  28          HH22      ARG  28 -12.940  -2.535   5.620
  223    H    SER  29           HN       SER  29 -10.692  -5.062  -1.299
  224    HA   SER  29           HA       SER  29  -9.580  -7.634  -0.814
  225    HB2  SER  29           HB2      SER  29 -11.894  -7.355  -1.592
  226    HB3  SER  29           HB3      SER  29 -11.306  -6.659  -3.101
  227    HG   SER  29           HG       SER  29 -11.562  -9.259  -2.396
  228    H    SER  30           HN       SER  30  -8.482  -4.975  -2.536
  229    HA   SER  30           HA       SER  30  -7.242  -6.282  -4.745
  230    HB2  SER  30           HB2      SER  30  -6.393  -3.708  -3.403
  231    HB3  SER  30           HB3      SER  30  -5.952  -4.244  -5.021
  232    HG   SER  30           HG       SER  30  -7.658  -2.773  -5.145
  233    H    SER  31           HN       SER  31  -5.390  -7.392  -4.827
  234    HA   SER  31           HA       SER  31  -4.006  -7.896  -2.361
  235    HB2  SER  31           HB2      SER  31  -2.732  -9.509  -3.584
  236    HB3  SER  31           HB3      SER  31  -4.412  -9.665  -4.087
  237    HG   SER  31           HG       SER  31  -3.838  -8.319  -5.909
  238    H    VAL  32           HN       VAL  32  -1.817  -7.502  -1.988
  239    HA   VAL  32           HA       VAL  32  -0.848  -5.014  -2.362
  240    HB   VAL  32           HB       VAL  32   1.182  -5.722  -1.510
  241   HG11  VAL  32          HG11      VAL  32  -0.513  -8.050  -0.702
  242   HG12  VAL  32          HG12      VAL  32   0.705  -7.199   0.246
  243   HG13  VAL  32          HG13      VAL  32  -0.823  -6.408  -0.140
  244   HG21  VAL  32          HG21      VAL  32   0.751  -8.395  -2.821
  245   HG22  VAL  32          HG22      VAL  32   1.910  -7.157  -3.304
  246   HG23  VAL  32          HG23      VAL  32   2.106  -7.996  -1.764
  247    H    ALA  33           HN       ALA  33  -0.635  -7.680  -4.624
  248    HA   ALA  33           HA       ALA  33   1.395  -6.659  -6.283
  249    HB1  ALA  33           HB1      ALA  33  -0.924  -8.417  -7.071
  250    HB2  ALA  33           HB2      ALA  33   0.586  -8.209  -7.959
  251    HB3  ALA  33           HB3      ALA  33   0.594  -8.982  -6.373
  252    H    GLN  34           HN       GLN  34  -2.138  -6.262  -6.398
  253    HA   GLN  34           HA       GLN  34  -2.023  -4.634  -8.779
  254    HB2  GLN  34           HB2      GLN  34  -4.327  -5.098  -6.877
  255    HB3  GLN  34           HB3      GLN  34  -4.432  -4.399  -8.486
  256    HG2  GLN  34           HG2      GLN  34  -3.564  -7.212  -7.859
  257    HG3  GLN  34           HG3      GLN  34  -5.162  -6.733  -8.429
  258   HE21  GLN  34          HE21      GLN  34  -4.088  -4.697 -10.221
  259   HE22  GLN  34          HE22      GLN  34  -3.413  -5.547 -11.564
  260    H    VAL  35           HN       VAL  35  -2.374  -4.199  -5.334
  261    HA   VAL  35           HA       VAL  35  -3.045  -1.476  -5.315
  262    HB   VAL  35           HB       VAL  35  -1.527  -3.064  -3.235
  263   HG11  VAL  35          HG11      VAL  35  -1.393  -0.624  -2.981
  264   HG12  VAL  35          HG12      VAL  35  -3.156  -0.558  -2.945
  265   HG13  VAL  35          HG13      VAL  35  -2.281  -1.405  -1.671
  266   HG21  VAL  35          HG21      VAL  35  -3.645  -3.527  -2.212
  267   HG22  VAL  35          HG22      VAL  35  -4.490  -2.523  -3.388
  268   HG23  VAL  35          HG23      VAL  35  -3.732  -4.030  -3.899
  269    H    LYS  36           HN       LYS  36   0.084  -3.130  -4.978
  270    HA   LYS  36           HA       LYS  36   1.665  -0.822  -4.910
  271    HB2  LYS  36           HB2      LYS  36   2.152  -3.716  -5.428
  272    HB3  LYS  36           HB3      LYS  36   3.435  -2.562  -5.711
  273    HG2  LYS  36           HG2      LYS  36   3.299  -3.729  -3.437
  274    HG3  LYS  36           HG3      LYS  36   3.572  -2.000  -3.492
  275    HD2  LYS  36           HD2      LYS  36   1.520  -1.488  -2.674
  276    HD3  LYS  36           HD3      LYS  36   0.783  -2.945  -3.327
  277    HE2  LYS  36           HE2      LYS  36   1.936  -4.273  -1.611
  278    HE3  LYS  36           HE3      LYS  36   2.641  -2.800  -0.957
  279    HZ1  LYS  36           HZ1      LYS  36   0.419  -1.996  -0.457
  280    HZ2  LYS  36           HZ2      LYS  36   0.699  -3.481   0.303
  281    HZ3  LYS  36           HZ3      LYS  36  -0.261  -3.412  -1.087
  282    H    ALA  37           HN       ALA  37   0.238  -2.660  -7.502
  283    HA   ALA  37           HA       ALA  37   1.818  -1.823  -9.647
  284    HB1  ALA  37           HB1      ALA  37  -0.087  -2.255 -11.069
  285    HB2  ALA  37           HB2      ALA  37  -0.032  -3.489  -9.811
  286    HB3  ALA  37           HB3      ALA  37  -1.186  -2.161  -9.694
  287    H    MET  38           HN       MET  38  -0.888  -0.308  -7.984
  288    HA   MET  38           HA       MET  38  -0.904   2.071  -9.541
  289    HB2  MET  38           HB2      MET  38  -1.838   1.839  -6.681
  290    HB3  MET  38           HB3      MET  38  -2.414   2.948  -7.919
  291    HG2  MET  38           HG2      MET  38  -3.190   0.868  -9.171
  292    HG3  MET  38           HG3      MET  38  -2.925   0.013  -7.655
  293    HE1  MET  38           HE1      MET  38  -5.481  -0.772  -7.658
  294    HE2  MET  38           HE2      MET  38  -6.834   0.344  -7.846
  295    HE3  MET  38           HE3      MET  38  -5.714   0.083  -9.184
  296    H    ILE  39           HN       ILE  39   0.635   1.062  -6.519
  297    HA   ILE  39           HA       ILE  39   1.711   3.487  -5.697
  298    HB   ILE  39           HB       ILE  39   2.926   0.730  -5.458
  299   HG12  ILE  39          HG12      ILE  39   0.750   0.836  -4.409
  300   HG13  ILE  39          HG13      ILE  39   1.991   0.828  -3.159
  301   HG21  ILE  39          HG21      ILE  39   3.606   3.285  -4.015
  302   HG22  ILE  39          HG22      ILE  39   4.159   1.680  -3.533
  303   HG23  ILE  39          HG23      ILE  39   4.652   2.353  -5.088
  304   HD11  ILE  39          HD11      ILE  39   1.737   3.233  -2.884
  305   HD12  ILE  39          HD12      ILE  39   0.506   3.250  -4.146
  306   HD13  ILE  39          HD13      ILE  39   0.208   2.390  -2.635
  307    H    GLU  40           HN       GLU  40   2.737   1.328  -8.254
  308    HA   GLU  40           HA       GLU  40   5.264   2.638  -8.691
  309    HB2  GLU  40           HB2      GLU  40   5.040   0.301  -9.296
  310    HB3  GLU  40           HB3      GLU  40   3.684   0.664 -10.355
  311    HG2  GLU  40           HG2      GLU  40   5.147   1.919 -11.832
  312    HG3  GLU  40           HG3      GLU  40   6.510   1.618 -10.755
  313    H    THR  41           HN       THR  41   2.011   2.779  -9.997
  314    HA   THR  41           HA       THR  41   2.514   4.391 -12.225
  315    HB   THR  41           HB       THR  41  -0.019   4.902 -10.797
  316    HG1  THR  41           HG1      THR  41  -0.463   2.566 -11.779
  317   HG21  THR  41          HG21      THR  41  -0.930   4.338 -13.017
  318   HG22  THR  41          HG22      THR  41   0.698   3.925 -13.557
  319   HG23  THR  41          HG23      THR  41   0.314   5.586 -13.103
  320    H    LYS  42           HN       LYS  42   2.460   5.143  -8.848
  321    HA   LYS  42           HA       LYS  42   2.441   8.013  -9.438
  322    HB2  LYS  42           HB2      LYS  42   1.845   6.425  -6.967
  323    HB3  LYS  42           HB3      LYS  42   2.215   8.146  -6.865
  324    HG2  LYS  42           HG2      LYS  42  -0.019   8.337  -7.086
  325    HG3  LYS  42           HG3      LYS  42   0.365   8.173  -8.802
  326    HD2  LYS  42           HD2      LYS  42   0.124   5.679  -8.455
  327    HD3  LYS  42           HD3      LYS  42  -0.638   6.074  -6.915
  328    HE2  LYS  42           HE2      LYS  42  -2.308   7.427  -8.096
  329    HE3  LYS  42           HE3      LYS  42  -1.556   7.006  -9.634
  330    HZ1  LYS  42           HZ1      LYS  42  -2.072   4.676  -9.188
  331    HZ2  LYS  42           HZ2      LYS  42  -3.474   5.622  -9.214
  332    HZ3  LYS  42           HZ3      LYS  42  -2.830   5.107  -7.738
  333    H    THR  43           HN       THR  43   4.341   5.541  -7.726
  334    HA   THR  43           HA       THR  43   6.446   7.503  -7.215
  335    HB   THR  43           HB       THR  43   7.545   5.803  -5.884
  336    HG1  THR  43           HG1      THR  43   6.840   4.006  -7.252
  337   HG21  THR  43          HG21      THR  43   5.805   7.067  -4.764
  338   HG22  THR  43          HG22      THR  43   5.800   5.404  -4.178
  339   HG23  THR  43          HG23      THR  43   4.579   5.934  -5.333
  340    H    GLY  44           HN       GLY  44   5.976   4.426  -8.916
  341    HA2  GLY  44           HA1      GLY  44   6.921   3.951 -11.029
  342    HA3  GLY  44           HA2      GLY  44   8.150   5.171 -10.734
  343    H    ILE  45           HN       ILE  45   7.890   3.395  -7.964
  344    HA   ILE  45           HA       ILE  45  10.360   2.008  -8.489
  345    HB   ILE  45           HB       ILE  45   8.622   1.737  -6.040
  346   HG12  ILE  45          HG12      ILE  45   9.039   4.108  -6.428
  347   HG13  ILE  45          HG13      ILE  45   9.965   3.547  -5.044
  348   HG21  ILE  45          HG21      ILE  45  10.708   1.185  -4.925
  349   HG22  ILE  45          HG22      ILE  45  10.413   0.092  -6.278
  350   HG23  ILE  45          HG23      ILE  45  11.587   1.398  -6.438
  351   HD11  ILE  45          HD11      ILE  45  11.027   4.022  -7.820
  352   HD12  ILE  45          HD12      ILE  45  11.281   5.047  -6.408
  353   HD13  ILE  45          HD13      ILE  45  11.965   3.422  -6.452
  354    H    ILE  46           HN       ILE  46  10.584  -0.046  -9.153
  355    HA   ILE  46           HA       ILE  46   8.469  -1.586 -10.068
  356    HB   ILE  46           HB       ILE  46  10.149  -3.545  -9.853
  357   HG12  ILE  46          HG12      ILE  46  11.994  -1.201  -9.345
  358   HG13  ILE  46          HG13      ILE  46  11.554  -2.410  -8.143
  359   HG21  ILE  46          HG21      ILE  46   9.631  -2.458 -11.935
  360   HG22  ILE  46          HG22      ILE  46  10.710  -1.117 -11.545
  361   HG23  ILE  46          HG23      ILE  46  11.369  -2.727 -11.831
  362   HD11  ILE  46          HD11      ILE  46  12.569  -4.143  -9.564
  363   HD12  ILE  46          HD12      ILE  46  13.074  -2.887 -10.692
  364   HD13  ILE  46          HD13      ILE  46  13.721  -2.909  -9.052
  365    HA   PRO  47           HA       PRO  47   6.474  -3.279  -6.491
  366    HB2  PRO  47           HB2      PRO  47   6.164  -5.644  -8.286
  367    HB3  PRO  47           HB3      PRO  47   4.955  -4.782  -7.345
  368    HG2  PRO  47           HG2      PRO  47   5.073  -4.420  -9.951
  369    HG3  PRO  47           HG3      PRO  47   4.808  -3.033  -8.874
  370    HD2  PRO  47           HD2      PRO  47   7.305  -3.901 -10.271
  371    HD3  PRO  47           HD3      PRO  47   6.667  -2.264 -10.018
  372    H    GLU  48           HN       GLU  48   8.444  -5.523  -8.385
  373    HA   GLU  48           HA       GLU  48   8.940  -7.477  -6.516
  374    HB2  GLU  48           HB2      GLU  48  11.022  -7.940  -7.781
  375    HB3  GLU  48           HB3      GLU  48   9.610  -7.742  -8.808
  376    HG2  GLU  48           HG2      GLU  48  10.297  -5.516  -9.404
  377    HG3  GLU  48           HG3      GLU  48  11.648  -5.597  -8.275
  378    H    THR  49           HN       THR  49   9.992  -4.245  -6.328
  379    HA   THR  49           HA       THR  49  12.000  -5.019  -4.316
  380    HB   THR  49           HB       THR  49  12.714  -3.756  -6.547
  381    HG1  THR  49           HG1      THR  49  14.481  -2.941  -5.307
  382   HG21  THR  49          HG21      THR  49  12.853  -1.373  -6.268
  383   HG22  THR  49          HG22      THR  49  12.113  -1.475  -4.670
  384   HG23  THR  49          HG23      THR  49  11.165  -1.859  -6.109
  385    H    GLN  50           HN       GLN  50   9.119  -3.359  -4.968
  386    HA   GLN  50           HA       GLN  50   9.260  -1.363  -2.948
  387    HB2  GLN  50           HB2      GLN  50   6.940  -2.596  -4.400
  388    HB3  GLN  50           HB3      GLN  50   6.774  -1.264  -3.285
  389    HG2  GLN  50           HG2      GLN  50   8.682  -0.358  -4.969
  390    HG3  GLN  50           HG3      GLN  50   7.690  -1.322  -6.049
  391   HE21  GLN  50          HE21      GLN  50   5.570  -0.732  -6.434
  392   HE22  GLN  50          HE22      GLN  50   4.959   0.834  -6.037
  393    H    ILE  51           HN       ILE  51   9.477  -1.893  -0.879
  394    HA   ILE  51           HA       ILE  51   8.014  -4.194   0.189
  395    HB   ILE  51           HB       ILE  51  10.046  -2.547   1.679
  396   HG12  ILE  51          HG12      ILE  51  10.443  -4.846  -0.219
  397   HG13  ILE  51          HG13      ILE  51  11.298  -3.314  -0.161
  398   HG21  ILE  51          HG21      ILE  51  10.194  -4.466   3.126
  399   HG22  ILE  51          HG22      ILE  51   8.503  -3.996   2.965
  400   HG23  ILE  51          HG23      ILE  51   9.119  -5.388   2.075
  401   HD11  ILE  51          HD11      ILE  51  12.725  -5.108   0.602
  402   HD12  ILE  51          HD12      ILE  51  12.376  -4.001   1.928
  403   HD13  ILE  51          HD13      ILE  51  11.544  -5.554   1.836
  404    H    VAL  52           HN       VAL  52   5.959  -3.506   0.618
  405    HA   VAL  52           HA       VAL  52   5.603  -1.017   2.081
  406    HB   VAL  52           HB       VAL  52   3.690  -2.858   0.654
  407   HG11  VAL  52          HG11      VAL  52   1.907  -1.311   1.286
  408   HG12  VAL  52          HG12      VAL  52   2.616  -2.124   2.681
  409   HG13  VAL  52          HG13      VAL  52   3.039  -0.450   2.331
  410   HG21  VAL  52          HG21      VAL  52   3.255  -0.854  -0.702
  411   HG22  VAL  52          HG22      VAL  52   4.455   0.030   0.238
  412   HG23  VAL  52          HG23      VAL  52   4.951  -1.336  -0.761
  413    H    THR  53           HN       THR  53   4.360  -0.996   4.037
  414    HA   THR  53           HA       THR  53   4.055  -3.570   5.396
  415    HB   THR  53           HB       THR  53   5.062  -1.808   7.359
  416    HG1  THR  53           HG1      THR  53   7.198  -1.462   6.430
  417   HG21  THR  53          HG21      THR  53   5.447  -4.047   7.732
  418   HG22  THR  53          HG22      THR  53   7.041  -3.509   7.202
  419   HG23  THR  53          HG23      THR  53   5.973  -4.345   6.075
  420    H    LEU  54           HN       LEU  54   2.204  -3.712   6.292
  421    HA   LEU  54           HA       LEU  54   0.550  -1.402   6.767
  422    HB2  LEU  54           HB2      LEU  54   0.216  -4.274   6.514
  423    HB3  LEU  54           HB3      LEU  54  -0.654  -3.655   7.898
  424    HG   LEU  54           HG       LEU  54  -2.099  -3.746   5.987
  425   HD11  LEU  54          HD11      LEU  54  -2.452  -1.919   7.566
  426   HD12  LEU  54          HD12      LEU  54  -1.346  -0.901   6.642
  427   HD13  LEU  54          HD13      LEU  54  -2.870  -1.425   5.926
  428   HD21  LEU  54          HD21      LEU  54  -0.077  -1.976   4.659
  429   HD22  LEU  54          HD22      LEU  54  -0.498  -3.629   4.218
  430   HD23  LEU  54          HD23      LEU  54  -1.679  -2.336   4.017
  431    H    ASN  55           HN       ASN  55  -0.797  -2.100   9.079
  432    HA   ASN  55           HA       ASN  55   0.803  -1.033  11.079
  433    HB2  ASN  55           HB2      ASN  55  -0.971  -2.237  12.603
  434    HB3  ASN  55           HB3      ASN  55  -1.466  -0.918  11.544
  435   HD21  ASN  55          HD21      ASN  55  -2.436  -1.456   9.517
  436   HD22  ASN  55          HD22      ASN  55  -3.309  -2.933   9.334
  437    H    GLY  56           HN       GLY  56   2.779  -1.995  11.330
  438    HA2  GLY  56           HA1      GLY  56   4.323  -3.445  12.184
  439    HA3  GLY  56           HA2      GLY  56   3.009  -4.167  13.096
  440    H    LYS  57           HN       LYS  57   2.151  -4.428   9.894
  441    HA   LYS  57           HA       LYS  57   3.323  -7.129   9.764
  442    HB2  LYS  57           HB2      LYS  57   0.694  -6.057   8.830
  443    HB3  LYS  57           HB3      LYS  57   1.387  -7.466   8.047
  444    HG2  LYS  57           HG2      LYS  57  -0.209  -8.070   9.803
  445    HG3  LYS  57           HG3      LYS  57   1.414  -8.661  10.158
  446    HD2  LYS  57           HD2      LYS  57   1.767  -6.687  11.587
  447    HD3  LYS  57           HD3      LYS  57   0.089  -6.238  11.321
  448    HE2  LYS  57           HE2      LYS  57   0.852  -7.634  13.402
  449    HE3  LYS  57           HE3      LYS  57  -0.707  -7.917  12.635
  450    HZ1  LYS  57           HZ1      LYS  57   0.277  -9.751  11.412
  451    HZ2  LYS  57           HZ2      LYS  57   0.484  -9.984  13.073
  452    HZ3  LYS  57           HZ3      LYS  57   1.783  -9.459  12.126
  453    H    ARG  58           HN       ARG  58   4.002  -7.955   7.731
  454    HA   ARG  58           HA       ARG  58   4.962  -5.872   5.922
  455    HB2  ARG  58           HB2      ARG  58   5.728  -8.767   6.262
  456    HB3  ARG  58           HB3      ARG  58   6.346  -7.760   4.965
  457    HG2  ARG  58           HG2      ARG  58   6.803  -6.289   7.262
  458    HG3  ARG  58           HG3      ARG  58   7.176  -7.951   7.721
  459    HD2  ARG  58           HD2      ARG  58   8.228  -6.665   5.217
  460    HD3  ARG  58           HD3      ARG  58   9.088  -6.600   6.756
  461    HE   ARG  58           HE       ARG  58   8.444  -9.272   6.162
  462   HH11  ARG  58          HH11      ARG  58  11.759  -7.785   4.478
  463   HH12  ARG  58          HH12      ARG  58  10.537  -6.709   5.070
  464   HH21  ARG  58          HH21      ARG  58  11.481 -10.051   4.662
  465   HH22  ARG  58          HH22      ARG  58  10.047 -10.695   5.388
  466    H    LEU  59           HN       LEU  59   4.521  -5.873   3.738
  467    HA   LEU  59           HA       LEU  59   2.052  -7.177   3.001
  468    HB2  LEU  59           HB2      LEU  59   3.770  -5.057   1.785
  469    HB3  LEU  59           HB3      LEU  59   2.562  -5.854   0.806
  470    HG   LEU  59           HG       LEU  59   1.874  -3.691   1.842
  471   HD11  LEU  59          HD11      LEU  59  -0.338  -4.614   2.684
  472   HD12  LEU  59          HD12      LEU  59   0.134  -5.043   1.041
  473   HD13  LEU  59          HD13      LEU  59   0.333  -6.209   2.349
  474   HD21  LEU  59          HD21      LEU  59   1.454  -3.496   4.131
  475   HD22  LEU  59          HD22      LEU  59   1.593  -5.237   4.387
  476   HD23  LEU  59          HD23      LEU  59   3.031  -4.279   4.036
  477    H    GLU  60           HN       GLU  60   2.010  -9.122   2.236
  478    HA   GLU  60           HA       GLU  60   4.325 -10.173   0.765
  479    HB2  GLU  60           HB2      GLU  60   2.051 -11.547   2.197
  480    HB3  GLU  60           HB3      GLU  60   3.236 -12.399   1.220
  481    HG2  GLU  60           HG2      GLU  60   3.835 -10.752   3.666
  482    HG3  GLU  60           HG3      GLU  60   3.759 -12.513   3.599
  483    H    ASP  61           HN       ASP  61   3.858 -11.680  -1.028
  484    HA   ASP  61           HA       ASP  61   2.114 -10.460  -2.924
  485    HB2  ASP  61           HB2      ASP  61   3.607 -13.088  -3.087
  486    HB3  ASP  61           HB3      ASP  61   2.866 -12.241  -4.442
  487    H    GLY  62           HN       GLY  62   0.172 -11.145  -3.738
  488    HA2  GLY  62           HA1      GLY  62  -1.726 -12.464  -3.973
  489    HA3  GLY  62           HA2      GLY  62  -0.965 -13.686  -2.965
  490    H    LYS  63           HN       LYS  63  -0.471 -11.236  -1.076
  491    HA   LYS  63           HA       LYS  63  -2.747 -11.756   0.588
  492    HB2  LYS  63           HB2      LYS  63  -0.165 -10.307   0.802
  493    HB3  LYS  63           HB3      LYS  63  -1.455  -9.787   1.864
  494    HG2  LYS  63           HG2      LYS  63   0.049 -11.433   2.901
  495    HG3  LYS  63           HG3      LYS  63  -1.621 -11.985   2.825
  496    HD2  LYS  63           HD2      LYS  63  -1.066 -13.294   0.804
  497    HD3  LYS  63           HD3      LYS  63   0.614 -12.776   0.958
  498    HE2  LYS  63           HE2      LYS  63  -0.940 -14.379   2.986
  499    HE3  LYS  63           HE3      LYS  63   0.276 -15.015   1.880
  500    HZ1  LYS  63           HZ1      LYS  63   1.921 -13.589   2.945
  501    HZ2  LYS  63           HZ2      LYS  63   1.207 -14.634   4.068
  502    HZ3  LYS  63           HZ3      LYS  63   0.749 -13.006   4.017
  503    H    MET  64           HN       MET  64  -4.520 -10.499   0.878
  504    HA   MET  64           HA       MET  64  -4.758  -8.107  -0.777
  505    HB2  MET  64           HB2      MET  64  -7.124  -8.812   0.731
  506    HB3  MET  64           HB3      MET  64  -6.907  -8.663  -1.000
  507    HG2  MET  64           HG2      MET  64  -5.948 -10.950  -1.023
  508    HG3  MET  64           HG3      MET  64  -6.352 -11.082   0.686
  509    HE1  MET  64           HE1      MET  64  -9.123  -9.567   0.867
  510    HE2  MET  64           HE2      MET  64 -10.254 -10.900   0.636
  511    HE3  MET  64           HE3      MET  64  -8.817 -11.125   1.633
  512    H    MET  65           HN       MET  65  -5.604  -6.149   0.077
  513    HA   MET  65           HA       MET  65  -4.456  -5.252   2.443
  514    HB2  MET  65           HB2      MET  65  -7.068  -4.042   1.673
  515    HB3  MET  65           HB3      MET  65  -5.573  -3.256   2.150
  516    HG2  MET  65           HG2      MET  65  -4.820  -4.330  -0.193
  517    HG3  MET  65           HG3      MET  65  -6.537  -4.070  -0.495
  518    HE1  MET  65           HE1      MET  65  -6.776  -0.170   0.360
  519    HE2  MET  65           HE2      MET  65  -7.715  -1.596  -0.076
  520    HE3  MET  65           HE3      MET  65  -6.942  -1.500   1.506
  521    H    ALA  66           HN       ALA  66  -7.684  -6.548   1.860
  522    HA   ALA  66           HA       ALA  66  -8.764  -6.156   4.406
  523    HB1  ALA  66           HB1      ALA  66 -10.401  -7.850   3.796
  524    HB2  ALA  66           HB2      ALA  66 -10.099  -6.768   2.437
  525    HB3  ALA  66           HB3      ALA  66  -9.381  -8.378   2.458
  526    H    ASP  67           HN       ASP  67  -6.604  -8.614   3.159
  527    HA   ASP  67           HA       ASP  67  -6.890 -10.517   5.204
  528    HB2  ASP  67           HB2      ASP  67  -5.664 -10.980   3.126
  529    HB3  ASP  67           HB3      ASP  67  -4.414  -9.835   3.601
  530    H    TYR  68           HN       TYR  68  -5.357  -7.421   5.157
  531    HA   TYR  68           HA       TYR  68  -3.923  -7.949   7.653
  532    HB2  TYR  68           HB2      TYR  68  -3.952  -5.490   5.890
  533    HB3  TYR  68           HB3      TYR  68  -2.921  -5.729   7.300
  534    HD1  TYR  68           HD1      TYR  68  -3.599  -6.874   3.862
  535    HD2  TYR  68           HD2      TYR  68  -0.934  -7.043   7.171
  536    HE1  TYR  68           HE1      TYR  68  -1.925  -7.976   2.442
  537    HE2  TYR  68           HE2      TYR  68   0.757  -8.141   5.761
  538    HH   TYR  68           HH       TYR  68   0.829  -9.492   3.697
  539    H    GLY  69           HN       GLY  69  -6.965  -7.237   6.880
  540    HA2  GLY  69           HA1      GLY  69  -8.729  -6.273   7.984
  541    HA3  GLY  69           HA2      GLY  69  -7.715  -6.338   9.421
  542    H    ILE  70           HN       ILE  70  -7.126  -4.545   6.425
  543    HA   ILE  70           HA       ILE  70  -6.471  -2.186   7.849
  544    HB   ILE  70           HB       ILE  70  -6.103  -1.141   5.757
  545   HG12  ILE  70          HG12      ILE  70  -7.886  -1.475   4.319
  546   HG13  ILE  70          HG13      ILE  70  -6.680  -2.546   3.621
  547   HG21  ILE  70          HG21      ILE  70  -5.393  -4.056   5.597
  548   HG22  ILE  70          HG22      ILE  70  -4.673  -2.781   4.613
  549   HG23  ILE  70          HG23      ILE  70  -4.459  -2.770   6.362
  550   HD11  ILE  70          HD11      ILE  70  -8.944  -3.388   5.402
  551   HD12  ILE  70          HD12      ILE  70  -8.867  -3.572   3.648
  552   HD13  ILE  70          HD13      ILE  70  -7.740  -4.453   4.679
  553    H    ARG  71           HN       ARG  71  -7.484  -0.047   6.896
  554    HA   ARG  71           HA       ARG  71 -10.409  -0.233   7.032
  555    HB2  ARG  71           HB2      ARG  71 -10.415   1.726   8.527
  556    HB3  ARG  71           HB3      ARG  71  -9.593   0.349   9.244
  557    HG2  ARG  71           HG2      ARG  71  -7.436   1.345   8.604
  558    HG3  ARG  71           HG3      ARG  71  -8.300   2.755   7.988
  559    HD2  ARG  71           HD2      ARG  71  -9.219   3.161  10.219
  560    HD3  ARG  71           HD3      ARG  71  -8.353   1.755  10.833
  561    HE   ARG  71           HE       ARG  71  -6.545   3.547   9.611
  562   HH11  ARG  71          HH11      ARG  71  -7.468   4.150  13.461
  563   HH12  ARG  71          HH12      ARG  71  -8.503   3.176  12.471
  564   HH21  ARG  71          HH21      ARG  71  -5.579   5.089  12.575
  565   HH22  ARG  71          HH22      ARG  71  -5.178   4.831  10.909
  566    H    LYS  72           HN       LYS  72 -11.380   2.016   6.531
  567    HA   LYS  72           HA       LYS  72 -10.605   2.756   3.927
  568    HB2  LYS  72           HB2      LYS  72 -12.066   4.874   5.253
  569    HB3  LYS  72           HB3      LYS  72 -12.555   3.850   3.915
  570    HG2  LYS  72           HG2      LYS  72 -12.690   2.950   6.775
  571    HG3  LYS  72           HG3      LYS  72 -14.014   3.790   5.968
  572    HD2  LYS  72           HD2      LYS  72 -14.141   2.042   4.297
  573    HD3  LYS  72           HD3      LYS  72 -12.763   1.215   5.027
  574    HE2  LYS  72           HE2      LYS  72 -14.790   0.137   5.745
  575    HE3  LYS  72           HE3      LYS  72 -14.065   0.981   7.112
  576    HZ1  LYS  72           HZ1      LYS  72 -16.329   1.980   5.470
  577    HZ2  LYS  72           HZ2      LYS  72 -15.631   2.791   6.781
  578    HZ3  LYS  72           HZ3      LYS  72 -16.450   1.332   7.029
  579    H    GLY  73           HN       GLY  73  -8.779   3.781   3.422
  580    HA2  GLY  73           HA1      GLY  73  -7.166   5.436   3.425
  581    HA3  GLY  73           HA2      GLY  73  -8.097   6.274   4.661
  582    H    ASN  74           HN       ASN  74  -6.596   3.049   4.595
  583    HA   ASN  74           HA       ASN  74  -5.613   3.389   7.261
  584    HB2  ASN  74           HB2      ASN  74  -6.349   1.191   5.972
  585    HB3  ASN  74           HB3      ASN  74  -4.651   1.168   5.510
  586   HD21  ASN  74          HD21      ASN  74  -5.685   2.528   8.529
  587   HD22  ASN  74          HD22      ASN  74  -5.062   1.278   9.541
  588    H    LEU  75           HN       LEU  75  -3.427   3.277   7.909
  589    HA   LEU  75           HA       LEU  75  -1.692   4.860   6.256
  590    HB2  LEU  75           HB2      LEU  75  -1.473   3.699   9.011
  591    HB3  LEU  75           HB3      LEU  75  -0.075   4.404   8.229
  592    HG   LEU  75           HG       LEU  75  -2.630   5.801   9.014
  593   HD11  LEU  75          HD11      LEU  75  -0.987   5.415  10.796
  594   HD12  LEU  75          HD12      LEU  75   0.242   6.230   9.826
  595   HD13  LEU  75          HD13      LEU  75  -1.159   7.129  10.414
  596   HD21  LEU  75          HD21      LEU  75  -0.306   6.850   7.401
  597   HD22  LEU  75          HD22      LEU  75  -1.973   6.668   6.857
  598   HD23  LEU  75          HD23      LEU  75  -1.577   7.847   8.107
  599    H    LEU  76           HN       LEU  76  -0.001   4.244   5.084
  600    HA   LEU  76           HA       LEU  76   0.917   1.454   5.259
  601    HB2  LEU  76           HB2      LEU  76   0.686   2.981   2.671
  602    HB3  LEU  76           HB3      LEU  76   1.061   1.283   2.879
  603    HG   LEU  76           HG       LEU  76  -1.612   2.564   3.456
  604   HD11  LEU  76          HD11      LEU  76  -0.658   0.844   1.173
  605   HD12  LEU  76          HD12      LEU  76  -2.343   1.254   1.485
  606   HD13  LEU  76          HD13      LEU  76  -1.186   2.524   1.091
  607   HD21  LEU  76          HD21      LEU  76  -0.772  -0.333   3.478
  608   HD22  LEU  76          HD22      LEU  76  -1.159   0.641   4.896
  609   HD23  LEU  76          HD23      LEU  76  -2.412   0.273   3.711
  610    H    PHE  77           HN       PHE  77   3.103   1.164   5.121
  611    HA   PHE  77           HA       PHE  77   4.708   3.620   4.855
  612    HB2  PHE  77           HB2      PHE  77   5.187   1.084   6.422
  613    HB3  PHE  77           HB3      PHE  77   6.471   2.244   6.101
  614    HD1  PHE  77           HD1      PHE  77   6.651   4.246   7.332
  615    HD2  PHE  77           HD2      PHE  77   3.210   1.780   7.767
  616    HE1  PHE  77           HE1      PHE  77   5.957   5.565   9.289
  617    HE2  PHE  77           HE2      PHE  77   2.508   3.098   9.725
  618    HZ   PHE  77           HZ       PHE  77   3.885   4.993  10.488
  619    H    LEU  78           HN       LEU  78   5.824   3.812   3.051
  620    HA   LEU  78           HA       LEU  78   6.243   1.501   1.337
  621    HB2  LEU  78           HB2      LEU  78   5.522   4.046   0.794
  622    HB3  LEU  78           HB3      LEU  78   7.252   4.166   0.545
  623    HG   LEU  78           HG       LEU  78   5.493   2.149  -0.842
  624   HD11  LEU  78          HD11      LEU  78   4.879   4.443  -1.464
  625   HD12  LEU  78          HD12      LEU  78   6.559   4.766  -1.888
  626   HD13  LEU  78          HD13      LEU  78   5.634   3.573  -2.799
  627   HD21  LEU  78          HD21      LEU  78   7.442   1.992  -2.375
  628   HD22  LEU  78          HD22      LEU  78   8.350   3.008  -1.256
  629   HD23  LEU  78          HD23      LEU  78   7.776   1.423  -0.741
  630    H    ALA  79           HN       ALA  79   8.174   0.621   0.823
  631    HA   ALA  79           HA       ALA  79  10.645   1.916   1.683
  632    HB1  ALA  79           HB1      ALA  79   9.964  -0.911   2.484
  633    HB2  ALA  79           HB2      ALA  79  11.470  -0.059   2.821
  634    HB3  ALA  79           HB3      ALA  79   9.964   0.481   3.565
  635    H    SER  80           HN       SER  80  12.585   0.551   0.892
  636    HA   SER  80           HA       SER  80  11.968  -0.918  -1.561
  637    HB2  SER  80           HB2      SER  80  13.612   0.393  -2.852
  638    HB3  SER  80           HB3      SER  80  12.284   1.403  -2.283
  639    HG   SER  80           HG       SER  80  13.776   1.853  -0.440
  640    H    TYR  81           HN       TYR  81  13.474  -2.457  -2.130
  641    HA   TYR  81           HA       TYR  81  15.074  -3.551  -0.129
  642    HB2  TYR  81           HB2      TYR  81  14.774  -3.992  -3.048
  643    HB3  TYR  81           HB3      TYR  81  16.230  -4.630  -2.295
  644    HD1  TYR  81           HD1      TYR  81  12.572  -4.866  -2.447
  645    HD2  TYR  81           HD2      TYR  81  16.118  -6.478  -0.741
  646    HE1  TYR  81           HE1      TYR  81  11.307  -6.836  -1.698
  647    HE2  TYR  81           HE2      TYR  81  14.864  -8.452   0.016
  648    HH   TYR  81           HH       TYR  81  11.751  -9.186  -1.088
  649    H    SER  82           HN       SER  82  17.348  -3.707   0.103
  650    HA   SER  82           HA       SER  82  18.828  -1.457  -1.094
  651    HB2  SER  82           HB2      SER  82  20.157  -1.367   0.990
  652    HB3  SER  82           HB3      SER  82  18.445  -1.070   1.291
  653    HG   SER  82           HG       SER  82  18.289  -2.921   2.339
  654    H    ILE  83           HN       ILE  83  21.307  -1.867  -0.806
  655    HA   ILE  83           HA       ILE  83  21.875  -4.301  -2.238
  656    HB   ILE  83           HB       ILE  83  23.764  -2.157  -1.257
  657   HG12  ILE  83          HG12      ILE  83  22.105  -1.291  -2.845
  658   HG13  ILE  83          HG13      ILE  83  23.707  -1.336  -3.571
  659   HG21  ILE  83          HG21      ILE  83  24.904  -4.270  -1.647
  660   HG22  ILE  83          HG22      ILE  83  24.194  -4.371  -3.258
  661   HG23  ILE  83          HG23      ILE  83  25.343  -3.087  -2.880
  662   HD11  ILE  83          HD11      ILE  83  23.109  -3.384  -4.756
  663   HD12  ILE  83          HD12      ILE  83  21.503  -3.334  -4.029
  664   HD13  ILE  83          HD13      ILE  83  22.009  -2.061  -5.141
  665    H    GLY  84           HN       GLY  84  23.666  -2.909   0.508
  666    HA2  GLY  84           HA1      GLY  84  24.376  -3.879   2.480
  667    HA3  GLY  84           HA2      GLY  84  23.303  -5.231   2.150
  668    H    GLY  85           HN       GLY  85  24.104  -7.072   1.217
  669    HA2  GLY  85           HA1      GLY  85  25.658  -8.554   0.378
  670    HA3  GLY  85           HA2      GLY  85  26.662  -7.178  -0.055
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1 -25.347   3.639   0.831
    2    H2   GLY   1           H2       GLY   1 -25.258   4.295  -0.725
    3    H3   GLY   1           H3       GLY   1 -26.114   2.860  -0.461
    4    HA2  GLY   1           HA2      GLY   1 -27.718   4.037   0.917
    5    HA3  GLY   1           HA1      GLY   1 -26.832   5.527   0.631
    6    H    ALA   2           HN       ALA   2 -26.249   4.959  -2.144
    7    HA   ALA   2           HA       ALA   2 -28.854   4.738  -3.421
    8    HB1  ALA   2           HB1      ALA   2 -28.671   7.114  -2.801
    9    HB2  ALA   2           HB2      ALA   2 -27.181   7.226  -3.736
   10    HB3  ALA   2           HB3      ALA   2 -28.705   6.876  -4.548
   11    H    MET   3           HN       MET   3 -25.586   4.187  -3.370
   12    HA   MET   3           HA       MET   3 -25.632   3.281  -6.150
   13    HB2  MET   3           HB2      MET   3 -24.547   5.519  -6.115
   14    HB3  MET   3           HB3      MET   3 -23.348   4.889  -4.993
   15    HG2  MET   3           HG2      MET   3 -22.451   4.936  -7.227
   16    HG3  MET   3           HG3      MET   3 -22.631   3.269  -6.686
   17    HE1  MET   3           HE1      MET   3 -22.105   3.957  -9.653
   18    HE2  MET   3           HE2      MET   3 -22.462   2.293  -9.194
   19    HE3  MET   3           HE3      MET   3 -23.321   3.038 -10.543
   20    H    GLY   4           HN       GLY   4 -23.268   3.517  -3.482
   21    HA2  GLY   4           HA1      GLY   4 -23.058   1.292  -2.234
   22    HA3  GLY   4           HA2      GLY   4 -22.744   0.637  -3.833
   23    H    ASP   5           HN       ASP   5 -21.110   0.876  -1.302
   24    HA   ASP   5           HA       ASP   5 -18.838   2.417  -2.350
   25    HB2  ASP   5           HB2      ASP   5 -19.519   3.038  -0.096
   26    HB3  ASP   5           HB3      ASP   5 -19.384   1.363   0.434
   27    H    GLU   6           HN       GLU   6 -17.060   1.425  -3.062
   28    HA   GLU   6           HA       GLU   6 -16.675  -1.418  -2.402
   29    HB2  GLU   6           HB2      GLU   6 -16.187  -0.137  -5.096
   30    HB3  GLU   6           HB3      GLU   6 -15.887  -1.819  -4.685
   31    HG2  GLU   6           HG2      GLU   6 -18.273  -2.154  -4.298
   32    HG3  GLU   6           HG3      GLU   6 -18.575  -0.465  -4.705
   33    H    GLU   7           HN       GLU   7 -14.867   1.015  -4.266
   34    HA   GLU   7           HA       GLU   7 -12.349   0.195  -3.330
   35    HB2  GLU   7           HB2      GLU   7 -13.089   2.922  -4.397
   36    HB3  GLU   7           HB3      GLU   7 -11.488   2.196  -4.383
   37    HG2  GLU   7           HG2      GLU   7 -12.281   0.457  -5.921
   38    HG3  GLU   7           HG3      GLU   7 -13.862   1.233  -5.961
   39    H    LEU   8           HN       LEU   8 -10.875   1.288  -1.920
   40    HA   LEU   8           HA       LEU   8 -12.147   3.045   0.064
   41    HB2  LEU   8           HB2      LEU   8 -10.401   0.646   0.612
   42    HB3  LEU   8           HB3      LEU   8 -10.777   1.864   1.814
   43    HG   LEU   8           HG       LEU   8 -12.732  -0.001   0.470
   44   HD11  LEU   8          HD11      LEU   8 -11.375  -1.038   2.209
   45   HD12  LEU   8          HD12      LEU   8 -11.819   0.248   3.332
   46   HD13  LEU   8          HD13      LEU   8 -13.050  -0.864   2.733
   47   HD21  LEU   8          HD21      LEU   8 -14.385   1.013   2.041
   48   HD22  LEU   8          HD22      LEU   8 -13.198   2.268   2.398
   49   HD23  LEU   8          HD23      LEU   8 -13.841   2.101   0.764
   50    HA   PRO   9           HA       PRO   9  -8.515   5.499  -0.386
   51    HB2  PRO   9           HB2      PRO   9  -8.617   6.399   2.366
   52    HB3  PRO   9           HB3      PRO   9  -9.095   7.265   0.907
   53    HG2  PRO   9           HG2      PRO   9 -10.869   6.422   2.797
   54    HG3  PRO   9           HG3      PRO   9 -11.285   6.622   1.085
   55    HD2  PRO   9           HD2      PRO   9 -10.604   4.121   2.590
   56    HD3  PRO   9           HD3      PRO   9 -11.867   4.389   1.373
   57    H    LEU  10           HN       LEU  10  -6.334   5.884   0.437
   58    HA   LEU  10           HA       LEU  10  -5.345   4.083   2.487
   59    HB2  LEU  10           HB2      LEU  10  -4.523   3.926  -0.400
   60    HB3  LEU  10           HB3      LEU  10  -3.508   3.329   0.897
   61    HG   LEU  10           HG       LEU  10  -6.330   2.373   0.545
   62   HD11  LEU  10          HD11      LEU  10  -4.998   2.039  -1.547
   63   HD12  LEU  10          HD12      LEU  10  -3.868   1.068  -0.602
   64   HD13  LEU  10          HD13      LEU  10  -5.543   0.548  -0.783
   65   HD21  LEU  10          HD21      LEU  10  -4.008   0.890   1.719
   66   HD22  LEU  10          HD22      LEU  10  -4.954   2.027   2.679
   67   HD23  LEU  10          HD23      LEU  10  -5.734   0.621   1.955
   68    H    PHE  11           HN       PHE  11  -2.906   4.402   2.741
   69    HA   PHE  11           HA       PHE  11  -2.172   7.207   2.209
   70    HB2  PHE  11           HB2      PHE  11  -2.306   5.748   4.793
   71    HB3  PHE  11           HB3      PHE  11  -0.969   6.867   4.564
   72    HD1  PHE  11           HD1      PHE  11  -4.422   6.483   5.350
   73    HD2  PHE  11           HD2      PHE  11  -1.500   9.271   4.028
   74    HE1  PHE  11           HE1      PHE  11  -5.890   8.320   6.036
   75    HE2  PHE  11           HE2      PHE  11  -2.953  11.135   4.702
   76    HZ   PHE  11           HZ       PHE  11  -5.162  10.664   5.711
   77    H    LEU  12           HN       LEU  12  -0.331   7.270   1.072
   78    HA   LEU  12           HA       LEU  12   1.547   5.046   1.328
   79    HB2  LEU  12           HB2      LEU  12   0.686   5.992  -0.892
   80    HB3  LEU  12           HB3      LEU  12   1.723   7.367  -0.578
   81    HG   LEU  12           HG       LEU  12   2.650   5.642  -2.122
   82   HD11  LEU  12          HD11      LEU  12   4.889   5.757  -1.249
   83   HD12  LEU  12          HD12      LEU  12   4.057   7.275  -0.914
   84   HD13  LEU  12          HD13      LEU  12   4.276   6.088   0.371
   85   HD21  LEU  12          HD21      LEU  12   3.537   3.585  -1.222
   86   HD22  LEU  12          HD22      LEU  12   2.951   4.005   0.387
   87   HD23  LEU  12          HD23      LEU  12   1.804   3.668  -0.908
   88    H    VAL  13           HN       VAL  13   2.805   5.362   3.122
   89    HA   VAL  13           HA       VAL  13   3.906   8.033   3.602
   90    HB   VAL  13           HB       VAL  13   4.134   5.583   5.354
   91   HG11  VAL  13          HG11      VAL  13   5.847   7.221   5.804
   92   HG12  VAL  13          HG12      VAL  13   4.643   8.508   5.878
   93   HG13  VAL  13          HG13      VAL  13   4.660   7.244   7.107
   94   HG21  VAL  13          HG21      VAL  13   2.156   7.857   5.498
   95   HG22  VAL  13          HG22      VAL  13   1.792   6.184   5.072
   96   HG23  VAL  13          HG23      VAL  13   2.342   6.580   6.701
   97    H    GLU  14           HN       GLU  14   5.713   8.423   2.513
   98    HA   GLU  14           HA       GLU  14   7.457   6.438   1.534
   99    HB2  GLU  14           HB2      GLU  14   7.363   9.385   1.607
  100    HB3  GLU  14           HB3      GLU  14   8.971   8.696   1.474
  101    HG2  GLU  14           HG2      GLU  14   6.677   8.016  -0.344
  102    HG3  GLU  14           HG3      GLU  14   7.893   9.242  -0.691
  103    H    SER  15           HN       SER  15   9.210   5.490   2.362
  104    HA   SER  15           HA       SER  15   9.748   5.627   5.133
  105    HB2  SER  15           HB2      SER  15  10.148   3.584   3.852
  106    HB3  SER  15           HB3      SER  15  11.385   4.405   2.901
  107    HG   SER  15           HG       SER  15  11.950   3.053   4.901
  108    H    GLY  16           HN       GLY  16  11.493   6.875   2.306
  109    HA2  GLY  16           HA1      GLY  16  13.688   7.906   3.731
  110    HA3  GLY  16           HA2      GLY  16  13.160   8.450   2.145
  111    H    ASP  17           HN       ASP  17  10.497   9.175   3.127
  112    HA   ASP  17           HA       ASP  17  10.970  11.284   5.065
  113    HB2  ASP  17           HB2      ASP  17  10.088  11.878   2.231
  114    HB3  ASP  17           HB3      ASP  17  10.025  13.032   3.558
  115    H    GLU  18           HN       GLU  18   9.432  10.607   6.448
  116    HA   GLU  18           HA       GLU  18   6.977   9.443   5.744
  117    HB2  GLU  18           HB2      GLU  18   6.365   9.667   8.048
  118    HB3  GLU  18           HB3      GLU  18   8.079   9.279   7.980
  119    HG2  GLU  18           HG2      GLU  18   6.987  12.055   8.313
  120    HG3  GLU  18           HG3      GLU  18   7.482  11.016   9.648
  121    H    ALA  19           HN       ALA  19   7.997  12.650   5.529
  122    HA   ALA  19           HA       ALA  19   5.525  13.970   6.031
  123    HB1  ALA  19           HB1      ALA  19   7.897  14.912   4.425
  124    HB2  ALA  19           HB2      ALA  19   6.581  15.920   5.029
  125    HB3  ALA  19           HB3      ALA  19   7.679  15.130   6.161
  126    H    LYS  20           HN       LYS  20   6.858  12.297   3.295
  127    HA   LYS  20           HA       LYS  20   5.028  13.491   1.419
  128    HB2  LYS  20           HB2      LYS  20   6.659  11.036   0.868
  129    HB3  LYS  20           HB3      LYS  20   6.148  12.295  -0.247
  130    HG2  LYS  20           HG2      LYS  20   8.275  12.503   1.870
  131    HG3  LYS  20           HG3      LYS  20   8.507  12.482   0.121
  132    HD2  LYS  20           HD2      LYS  20   7.192  14.590  -0.015
  133    HD3  LYS  20           HD3      LYS  20   7.140  14.625   1.746
  134    HE2  LYS  20           HE2      LYS  20   9.594  14.684   1.805
  135    HE3  LYS  20           HE3      LYS  20   9.629  14.689   0.043
  136    HZ1  LYS  20           HZ1      LYS  20   8.394  16.787   1.746
  137    HZ2  LYS  20           HZ2      LYS  20   8.454  16.796   0.056
  138    HZ3  LYS  20           HZ3      LYS  20   9.882  16.915   0.953
  139    H    ARG  21           HN       ARG  21   2.967  12.958   2.142
  140    HA   ARG  21           HA       ARG  21   2.316  10.086   2.135
  141    HB2  ARG  21           HB2      ARG  21   0.707  12.340   3.347
  142    HB3  ARG  21           HB3      ARG  21   0.350  10.622   3.460
  143    HG2  ARG  21           HG2      ARG  21   1.431  10.676   5.395
  144    HG3  ARG  21           HG3      ARG  21   2.910  10.791   4.434
  145    HD2  ARG  21           HD2      ARG  21   2.831  12.536   6.131
  146    HD3  ARG  21           HD3      ARG  21   2.777  13.221   4.507
  147    HE   ARG  21           HE       ARG  21   0.153  12.923   5.333
  148   HH11  ARG  21          HH11      ARG  21   2.076  16.007   7.014
  149   HH12  ARG  21          HH12      ARG  21   2.980  14.691   6.342
  150   HH21  ARG  21          HH21      ARG  21  -0.210  15.986   6.941
  151   HH22  ARG  21          HH22      ARG  21  -1.045  14.655   6.213
  152    H    HIS  22           HN       HIS  22   1.063   9.311   0.593
  153    HA   HIS  22           HA       HIS  22  -0.499  11.211  -1.023
  154    HB2  HIS  22           HB2      HIS  22   0.634   8.773  -2.313
  155    HB3  HIS  22           HB3      HIS  22   0.324  10.368  -2.999
  156    HD2  HIS  22           HD2      HIS  22   3.267   8.347  -2.294
  157    HE1  HIS  22           HE1      HIS  22   4.460  12.259  -1.211
  158    H    LEU  23           HN       LEU  23  -2.565  10.795  -0.758
  159    HA   LEU  23           HA       LEU  23  -3.483   8.238   0.186
  160    HB2  LEU  23           HB2      LEU  23  -4.380  10.546   0.831
  161    HB3  LEU  23           HB3      LEU  23  -5.181  10.540  -0.721
  162    HG   LEU  23           HG       LEU  23  -5.664   8.562   1.510
  163   HD11  LEU  23          HD11      LEU  23  -6.522  10.797   1.995
  164   HD12  LEU  23          HD12      LEU  23  -7.390  10.795   0.459
  165   HD13  LEU  23          HD13      LEU  23  -7.829   9.644   1.720
  166   HD21  LEU  23          HD21      LEU  23  -6.078   7.423  -0.523
  167   HD22  LEU  23          HD22      LEU  23  -7.647   7.943   0.083
  168   HD23  LEU  23          HD23      LEU  23  -6.874   8.826  -1.232
  169    H    LEU  24           HN       LEU  24  -4.225   6.609  -1.009
  170    HA   LEU  24           HA       LEU  24  -4.969   7.178  -3.803
  171    HB2  LEU  24           HB2      LEU  24  -3.562   4.707  -2.821
  172    HB3  LEU  24           HB3      LEU  24  -4.020   5.047  -4.473
  173    HG   LEU  24           HG       LEU  24  -1.942   6.519  -2.854
  174   HD11  LEU  24          HD11      LEU  24  -0.378   5.597  -4.464
  175   HD12  LEU  24          HD12      LEU  24  -1.256   4.305  -3.646
  176   HD13  LEU  24          HD13      LEU  24  -1.694   4.763  -5.290
  177   HD21  LEU  24          HD21      LEU  24  -3.065   8.087  -4.284
  178   HD22  LEU  24          HD22      LEU  24  -1.490   7.708  -4.981
  179   HD23  LEU  24          HD23      LEU  24  -2.951   6.983  -5.653
  180    H    GLN  25           HN       GLN  25  -6.735   6.208  -4.599
  181    HA   GLN  25           HA       GLN  25  -8.484   4.883  -2.693
  182    HB2  GLN  25           HB2      GLN  25 -10.267   5.306  -4.293
  183    HB3  GLN  25           HB3      GLN  25  -9.392   6.770  -3.905
  184    HG2  GLN  25           HG2      GLN  25  -9.401   5.211  -6.446
  185    HG3  GLN  25           HG3      GLN  25  -9.760   6.910  -6.190
  186   HE21  GLN  25          HE21      GLN  25  -7.261   4.537  -6.574
  187   HE22  GLN  25          HE22      GLN  25  -5.956   5.638  -6.800
  188    H    VAL  26           HN       VAL  26  -7.891   2.835  -2.564
  189    HA   VAL  26           HA       VAL  26  -8.283   1.175  -4.948
  190    HB   VAL  26           HB       VAL  26  -5.978   0.857  -3.028
  191   HG11  VAL  26          HG11      VAL  26  -5.265  -0.956  -4.529
  192   HG12  VAL  26          HG12      VAL  26  -6.814  -1.298  -3.757
  193   HG13  VAL  26          HG13      VAL  26  -6.764  -0.768  -5.439
  194   HG21  VAL  26          HG21      VAL  26  -5.613   2.696  -4.559
  195   HG22  VAL  26          HG22      VAL  26  -4.570   1.338  -4.982
  196   HG23  VAL  26          HG23      VAL  26  -6.023   1.664  -5.930
  197    H    ARG  27           HN       ARG  27  -9.190  -0.832  -4.554
  198    HA   ARG  27           HA       ARG  27 -10.836  -1.046  -2.275
  199    HB2  ARG  27           HB2      ARG  27 -10.137  -3.357  -4.068
  200    HB3  ARG  27           HB3      ARG  27 -11.631  -3.072  -3.188
  201    HG2  ARG  27           HG2      ARG  27 -12.216  -1.278  -4.658
  202    HG3  ARG  27           HG3      ARG  27 -10.644  -1.380  -5.452
  203    HD2  ARG  27           HD2      ARG  27 -12.195  -2.487  -6.862
  204    HD3  ARG  27           HD3      ARG  27 -11.226  -3.735  -6.089
  205    HE   ARG  27           HE       ARG  27 -13.442  -3.416  -4.490
  206   HH11  ARG  27          HH11      ARG  27 -14.234  -5.290  -7.938
  207   HH12  ARG  27          HH12      ARG  27 -12.830  -4.285  -7.809
  208   HH21  ARG  27          HH21      ARG  27 -15.634  -5.545  -6.146
  209   HH22  ARG  27          HH22      ARG  27 -15.292  -4.735  -4.653
  210    H    ARG  28           HN       ARG  28 -10.860  -2.528  -0.610
  211    HA   ARG  28           HA       ARG  28  -8.314  -3.132   0.532
  212    HB2  ARG  28           HB2      ARG  28  -9.788  -4.367   2.243
  213    HB3  ARG  28           HB3      ARG  28  -9.943  -2.623   2.129
  214    HG2  ARG  28           HG2      ARG  28 -12.032  -2.721   1.286
  215    HG3  ARG  28           HG3      ARG  28 -11.754  -4.257   0.457
  216    HD2  ARG  28           HD2      ARG  28 -13.195  -4.840   2.182
  217    HD3  ARG  28           HD3      ARG  28 -11.599  -5.239   2.819
  218    HE   ARG  28           HE       ARG  28 -12.067  -2.677   3.653
  219   HH11  ARG  28          HH11      ARG  28 -14.389  -5.339   5.538
  220   HH12  ARG  28          HH12      ARG  28 -13.700  -5.735   3.999
  221   HH21  ARG  28          HH21      ARG  28 -13.975  -3.297   6.492
  222   HH22  ARG  28          HH22      ARG  28 -12.972  -2.145   5.676
  223    H    SER  29           HN       SER  29 -10.798  -4.921  -1.157
  224    HA   SER  29           HA       SER  29  -9.741  -7.507  -0.630
  225    HB2  SER  29           HB2      SER  29 -12.071  -7.166  -1.369
  226    HB3  SER  29           HB3      SER  29 -11.486  -6.562  -2.918
  227    HG   SER  29           HG       SER  29 -10.612  -8.603  -3.331
  228    H    SER  30           HN       SER  30  -8.625  -4.923  -2.455
  229    HA   SER  30           HA       SER  30  -7.428  -6.344  -4.620
  230    HB2  SER  30           HB2      SER  30  -6.525  -3.730  -3.394
  231    HB3  SER  30           HB3      SER  30  -6.115  -4.339  -4.995
  232    HG   SER  30           HG       SER  30  -7.879  -2.751  -4.875
  233    H    SER  31           HN       SER  31  -5.361  -7.158  -4.801
  234    HA   SER  31           HA       SER  31  -4.086  -7.747  -2.259
  235    HB2  SER  31           HB2      SER  31  -3.449  -8.744  -5.029
  236    HB3  SER  31           HB3      SER  31  -2.719  -9.329  -3.538
  237    HG   SER  31           HG       SER  31  -5.163  -9.621  -3.023
  238    H    VAL  32           HN       VAL  32  -1.897  -7.396  -1.876
  239    HA   VAL  32           HA       VAL  32  -0.890  -4.919  -2.241
  240    HB   VAL  32           HB       VAL  32   1.108  -5.653  -1.344
  241   HG11  VAL  32          HG11      VAL  32   0.588  -7.261   0.348
  242   HG12  VAL  32          HG12      VAL  32  -0.845  -6.278   0.049
  243   HG13  VAL  32          HG13      VAL  32  -0.741  -7.908  -0.615
  244   HG21  VAL  32          HG21      VAL  32   1.870  -7.084  -3.123
  245   HG22  VAL  32          HG22      VAL  32   2.001  -7.954  -1.594
  246   HG23  VAL  32          HG23      VAL  32   0.672  -8.308  -2.700
  247    H    ALA  33           HN       ALA  33  -0.661  -7.608  -4.480
  248    HA   ALA  33           HA       ALA  33   1.421  -6.648  -6.100
  249    HB1  ALA  33           HB1      ALA  33   0.575  -8.945  -6.195
  250    HB2  ALA  33           HB2      ALA  33  -0.922  -8.358  -6.918
  251    HB3  ALA  33           HB3      ALA  33   0.603  -8.188  -7.787
  252    H    GLN  34           HN       GLN  34  -2.104  -6.199  -6.393
  253    HA   GLN  34           HA       GLN  34  -1.823  -4.568  -8.757
  254    HB2  GLN  34           HB2      GLN  34  -4.259  -5.028  -7.032
  255    HB3  GLN  34           HB3      GLN  34  -4.242  -4.346  -8.650
  256    HG2  GLN  34           HG2      GLN  34  -3.500  -7.160  -7.887
  257    HG3  GLN  34           HG3      GLN  34  -4.972  -6.646  -8.709
  258   HE21  GLN  34          HE21      GLN  34  -1.562  -7.208  -9.010
  259   HE22  GLN  34          HE22      GLN  34  -1.490  -7.127 -10.734
  260    H    VAL  35           HN       VAL  35  -2.409  -4.136  -5.347
  261    HA   VAL  35           HA       VAL  35  -3.100  -1.418  -5.358
  262    HB   VAL  35           HB       VAL  35  -1.708  -3.029  -3.209
  263   HG11  VAL  35          HG11      VAL  35  -2.586  -1.369  -1.668
  264   HG12  VAL  35          HG12      VAL  35  -1.506  -0.634  -2.853
  265   HG13  VAL  35          HG13      VAL  35  -3.252  -0.458  -3.022
  266   HG21  VAL  35          HG21      VAL  35  -4.640  -2.452  -3.610
  267   HG22  VAL  35          HG22      VAL  35  -3.849  -3.994  -3.931
  268   HG23  VAL  35          HG23      VAL  35  -3.929  -3.369  -2.284
  269    H    LYS  36           HN       LYS  36   0.003  -3.021  -4.742
  270    HA   LYS  36           HA       LYS  36   1.533  -0.674  -4.613
  271    HB2  LYS  36           HB2      LYS  36   2.134  -3.579  -4.943
  272    HB3  LYS  36           HB3      LYS  36   3.408  -2.395  -5.068
  273    HG2  LYS  36           HG2      LYS  36   2.932  -3.525  -2.802
  274    HG3  LYS  36           HG3      LYS  36   3.246  -1.802  -2.875
  275    HD2  LYS  36           HD2      LYS  36   1.070  -1.226  -2.473
  276    HD3  LYS  36           HD3      LYS  36   0.449  -2.773  -3.043
  277    HE2  LYS  36           HE2      LYS  36   1.305  -3.868  -1.051
  278    HE3  LYS  36           HE3      LYS  36   2.017  -2.349  -0.511
  279    HZ1  LYS  36           HZ1      LYS  36  -0.206  -1.407  -0.354
  280    HZ2  LYS  36           HZ2      LYS  36  -0.068  -2.785   0.617
  281    HZ3  LYS  36           HZ3      LYS  36  -0.885  -2.872  -0.861
  282    H    ALA  37           HN       ALA  37   0.391  -2.666  -7.231
  283    HA   ALA  37           HA       ALA  37   2.145  -1.882  -9.259
  284    HB1  ALA  37           HB1      ALA  37  -0.838  -2.295  -9.549
  285    HB2  ALA  37           HB2      ALA  37   0.371  -2.401 -10.827
  286    HB3  ALA  37           HB3      ALA  37   0.355  -3.595  -9.529
  287    H    MET  38           HN       MET  38  -0.660  -0.355  -7.815
  288    HA   MET  38           HA       MET  38  -0.687   1.969  -9.450
  289    HB2  MET  38           HB2      MET  38  -1.618   1.860  -6.582
  290    HB3  MET  38           HB3      MET  38  -2.224   2.879  -7.878
  291    HG2  MET  38           HG2      MET  38  -2.515  -0.110  -7.842
  292    HG3  MET  38           HG3      MET  38  -3.716   0.998  -7.185
  293    HE1  MET  38           HE1      MET  38  -4.734  -1.026  -9.218
  294    HE2  MET  38           HE2      MET  38  -5.707   0.316  -8.615
  295    HE3  MET  38           HE3      MET  38  -5.630  -0.008 -10.347
  296    H    ILE  39           HN       ILE  39   0.747   1.105  -6.339
  297    HA   ILE  39           HA       ILE  39   1.826   3.544  -5.592
  298    HB   ILE  39           HB       ILE  39   2.936   0.769  -5.176
  299   HG12  ILE  39          HG12      ILE  39   0.776   0.985  -4.168
  300   HG13  ILE  39          HG13      ILE  39   1.974   1.091  -2.883
  301   HG21  ILE  39          HG21      ILE  39   3.755   3.384  -3.943
  302   HG22  ILE  39          HG22      ILE  39   4.137   1.809  -3.241
  303   HG23  ILE  39          HG23      ILE  39   4.757   2.238  -4.835
  304   HD11  ILE  39          HD11      ILE  39   1.745   3.549  -2.936
  305   HD12  ILE  39          HD12      ILE  39   0.462   3.369  -4.129
  306   HD13  ILE  39          HD13      ILE  39   0.253   2.714  -2.505
  307    H    GLU  40           HN       GLU  40   2.971   1.238  -7.981
  308    HA   GLU  40           HA       GLU  40   5.505   2.530  -8.392
  309    HB2  GLU  40           HB2      GLU  40   5.338   0.189  -8.922
  310    HB3  GLU  40           HB3      GLU  40   3.962   0.469  -9.980
  311    HG2  GLU  40           HG2      GLU  40   5.408   1.722 -11.513
  312    HG3  GLU  40           HG3      GLU  40   6.783   1.406 -10.456
  313    H    THR  41           HN       THR  41   2.293   2.660  -9.776
  314    HA   THR  41           HA       THR  41   2.847   4.155 -12.066
  315    HB   THR  41           HB       THR  41   0.314   4.738 -10.635
  316    HG1  THR  41           HG1      THR  41   1.160   2.142 -11.410
  317   HG21  THR  41          HG21      THR  41   0.970   3.759 -13.407
  318   HG22  THR  41          HG22      THR  41   0.719   5.444 -12.947
  319   HG23  THR  41          HG23      THR  41  -0.613   4.291 -12.846
  320    H    LYS  42           HN       LYS  42   2.766   5.066  -8.725
  321    HA   LYS  42           HA       LYS  42   2.825   7.905  -9.455
  322    HB2  LYS  42           HB2      LYS  42   2.216   6.466  -6.895
  323    HB3  LYS  42           HB3      LYS  42   2.598   8.186  -6.904
  324    HG2  LYS  42           HG2      LYS  42   0.355   8.356  -7.106
  325    HG3  LYS  42           HG3      LYS  42   0.742   8.137  -8.815
  326    HD2  LYS  42           HD2      LYS  42   0.524   5.637  -8.324
  327    HD3  LYS  42           HD3      LYS  42  -0.332   6.143  -6.867
  328    HE2  LYS  42           HE2      LYS  42  -1.059   6.928  -9.688
  329    HE3  LYS  42           HE3      LYS  42  -1.858   5.673  -8.743
  330    HZ1  LYS  42           HZ1      LYS  42  -1.715   8.535  -7.965
  331    HZ2  LYS  42           HZ2      LYS  42  -2.571   7.316  -7.163
  332    HZ3  LYS  42           HZ3      LYS  42  -3.048   7.805  -8.710
  333    H    THR  43           HN       THR  43   4.617   5.546  -7.451
  334    HA   THR  43           HA       THR  43   6.778   7.457  -7.084
  335    HB   THR  43           HB       THR  43   7.842   5.763  -5.687
  336    HG1  THR  43           HG1      THR  43   6.638   3.770  -5.337
  337   HG21  THR  43          HG21      THR  43   6.378   5.885  -3.883
  338   HG22  THR  43          HG22      THR  43   4.950   5.706  -4.900
  339   HG23  THR  43          HG23      THR  43   5.850   7.224  -4.900
  340    H    GLY  44           HN       GLY  44   6.262   4.322  -8.666
  341    HA2  GLY  44           HA1      GLY  44   7.205   3.762 -10.758
  342    HA3  GLY  44           HA2      GLY  44   8.461   4.961 -10.493
  343    H    ILE  45           HN       ILE  45   7.731   2.796  -7.902
  344    HA   ILE  45           HA       ILE  45  10.335   1.522  -8.263
  345    HB   ILE  45           HB       ILE  45   8.457   1.141  -5.937
  346   HG12  ILE  45          HG12      ILE  45   8.850   3.544  -6.252
  347   HG13  ILE  45          HG13      ILE  45   9.634   2.955  -4.797
  348   HG21  ILE  45          HG21      ILE  45  11.439   0.851  -6.238
  349   HG22  ILE  45          HG22      ILE  45  10.546   0.657  -4.731
  350   HG23  ILE  45          HG23      ILE  45  10.267  -0.455  -6.070
  351   HD11  ILE  45          HD11      ILE  45  11.048   4.523  -5.991
  352   HD12  ILE  45          HD12      ILE  45  11.774   2.917  -5.971
  353   HD13  ILE  45          HD13      ILE  45  10.981   3.508  -7.430
  354    H    ILE  46           HN       ILE  46  10.504  -0.448  -9.158
  355    HA   ILE  46           HA       ILE  46   8.344  -1.915 -10.109
  356    HB   ILE  46           HB       ILE  46  10.051  -3.889 -10.062
  357   HG12  ILE  46          HG12      ILE  46  11.884  -1.527  -9.609
  358   HG13  ILE  46          HG13      ILE  46  11.558  -2.788  -8.424
  359   HG21  ILE  46          HG21      ILE  46   9.356  -2.735 -12.063
  360   HG22  ILE  46          HG22      ILE  46  10.459  -1.404 -11.714
  361   HG23  ILE  46          HG23      ILE  46  11.098  -3.001 -12.099
  362   HD11  ILE  46          HD11      ILE  46  12.893  -3.133 -11.093
  363   HD12  ILE  46          HD12      ILE  46  13.656  -3.212  -9.505
  364   HD13  ILE  46          HD13      ILE  46  12.491  -4.445  -9.986
  365    HA   PRO  47           HA       PRO  47   6.439  -3.828  -6.606
  366    HB2  PRO  47           HB2      PRO  47   6.213  -6.112  -8.521
  367    HB3  PRO  47           HB3      PRO  47   4.983  -5.381  -7.496
  368    HG2  PRO  47           HG2      PRO  47   5.007  -4.830 -10.067
  369    HG3  PRO  47           HG3      PRO  47   4.722  -3.532  -8.891
  370    HD2  PRO  47           HD2      PRO  47   7.195  -4.187 -10.428
  371    HD3  PRO  47           HD3      PRO  47   6.516  -2.603 -10.014
  372    H    GLU  48           HN       GLU  48   8.466  -5.968  -8.569
  373    HA   GLU  48           HA       GLU  48   9.024  -7.927  -6.715
  374    HB2  GLU  48           HB2      GLU  48  11.070  -8.372  -8.028
  375    HB3  GLU  48           HB3      GLU  48   9.644  -8.152  -9.034
  376    HG2  GLU  48           HG2      GLU  48  10.335  -5.880  -9.549
  377    HG3  GLU  48           HG3      GLU  48  11.744  -6.063  -8.505
  378    H    THR  49           HN       THR  49   9.995  -4.672  -6.502
  379    HA   THR  49           HA       THR  49  12.059  -5.418  -4.537
  380    HB   THR  49           HB       THR  49  12.777  -4.174  -6.742
  381    HG1  THR  49           HG1      THR  49  14.513  -4.126  -5.550
  382   HG21  THR  49          HG21      THR  49  11.165  -2.327  -6.483
  383   HG22  THR  49          HG22      THR  49  12.834  -1.763  -6.516
  384   HG23  THR  49          HG23      THR  49  11.966  -1.861  -4.984
  385    H    GLN  50           HN       GLN  50   9.118  -3.855  -5.083
  386    HA   GLN  50           HA       GLN  50   9.210  -1.772  -3.200
  387    HB2  GLN  50           HB2      GLN  50   6.863  -3.388  -4.186
  388    HB3  GLN  50           HB3      GLN  50   6.740  -1.907  -3.265
  389    HG2  GLN  50           HG2      GLN  50   7.956  -0.744  -5.104
  390    HG3  GLN  50           HG3      GLN  50   7.838  -2.234  -6.033
  391   HE21  GLN  50          HE21      GLN  50   6.139   0.483  -4.741
  392   HE22  GLN  50          HE22      GLN  50   4.669   0.243  -5.614
  393    H    ILE  51           HN       ILE  51   9.601  -1.996  -1.102
  394    HA   ILE  51           HA       ILE  51   8.524  -4.337   0.316
  395    HB   ILE  51           HB       ILE  51  10.672  -2.404   1.213
  396   HG12  ILE  51          HG12      ILE  51  11.392  -3.871  -0.611
  397   HG13  ILE  51          HG13      ILE  51  12.231  -4.244   0.878
  398   HG21  ILE  51          HG21      ILE  51  11.064  -4.048   2.990
  399   HG22  ILE  51          HG22      ILE  51   9.479  -3.280   3.097
  400   HG23  ILE  51          HG23      ILE  51   9.628  -4.919   2.464
  401   HD11  ILE  51          HD11      ILE  51   9.970  -5.781  -0.373
  402   HD12  ILE  51          HD12      ILE  51  11.656  -6.279  -0.237
  403   HD13  ILE  51          HD13      ILE  51  10.661  -6.132   1.214
  404    H    VAL  52           HN       VAL  52   6.484  -3.734   0.843
  405    HA   VAL  52           HA       VAL  52   6.118  -1.168   2.197
  406    HB   VAL  52           HB       VAL  52   3.615  -1.926   1.894
  407   HG11  VAL  52          HG11      VAL  52   3.555  -0.678  -0.230
  408   HG12  VAL  52          HG12      VAL  52   4.557   0.122   0.981
  409   HG13  VAL  52          HG13      VAL  52   5.312  -0.792  -0.326
  410   HG21  VAL  52          HG21      VAL  52   4.580  -3.047  -0.639
  411   HG22  VAL  52          HG22      VAL  52   4.730  -4.050   0.804
  412   HG23  VAL  52          HG23      VAL  52   3.156  -3.439   0.327
  413    H    THR  53           HN       THR  53   4.459  -1.185   3.889
  414    HA   THR  53           HA       THR  53   4.296  -3.603   5.479
  415    HB   THR  53           HB       THR  53   5.168  -1.699   7.356
  416    HG1  THR  53           HG1      THR  53   7.068  -0.937   6.545
  417   HG21  THR  53          HG21      THR  53   6.318  -4.210   6.192
  418   HG22  THR  53          HG22      THR  53   5.631  -3.935   7.797
  419   HG23  THR  53          HG23      THR  53   7.218  -3.278   7.390
  420    H    LEU  54           HN       LEU  54   2.543  -3.721   6.619
  421    HA   LEU  54           HA       LEU  54   0.804  -1.383   6.831
  422    HB2  LEU  54           HB2      LEU  54   0.428  -4.223   6.487
  423    HB3  LEU  54           HB3      LEU  54  -0.439  -3.674   7.903
  424    HG   LEU  54           HG       LEU  54  -1.858  -3.683   5.947
  425   HD11  LEU  54          HD11      LEU  54  -1.197  -0.922   6.954
  426   HD12  LEU  54          HD12      LEU  54  -2.656  -1.341   6.055
  427   HD13  LEU  54          HD13      LEU  54  -2.365  -2.050   7.643
  428   HD21  LEU  54          HD21      LEU  54  -0.303  -3.359   4.194
  429   HD22  LEU  54          HD22      LEU  54  -1.449  -2.022   4.147
  430   HD23  LEU  54          HD23      LEU  54   0.161  -1.778   4.822
  431    H    ASN  55           HN       ASN  55  -0.654  -2.236   9.112
  432    HA   ASN  55           HA       ASN  55   0.877  -1.142  11.175
  433    HB2  ASN  55           HB2      ASN  55  -0.921  -2.451  12.619
  434    HB3  ASN  55           HB3      ASN  55  -1.377  -1.055  11.646
  435   HD21  ASN  55          HD21      ASN  55  -2.384  -1.407   9.625
  436   HD22  ASN  55          HD22      ASN  55  -3.248  -2.869   9.304
  437    H    GLY  56           HN       GLY  56   2.855  -2.079  11.469
  438    HA2  GLY  56           HA1      GLY  56   4.412  -3.564  12.242
  439    HA3  GLY  56           HA2      GLY  56   3.111  -4.239  13.211
  440    H    LYS  57           HN       LYS  57   2.388  -4.380   9.906
  441    HA   LYS  57           HA       LYS  57   3.292  -7.187   9.816
  442    HB2  LYS  57           HB2      LYS  57   0.766  -5.884   8.987
  443    HB3  LYS  57           HB3      LYS  57   1.358  -7.187   7.974
  444    HG2  LYS  57           HG2      LYS  57  -0.284  -7.808   9.792
  445    HG3  LYS  57           HG3      LYS  57   1.197  -8.759   9.704
  446    HD2  LYS  57           HD2      LYS  57   1.972  -7.974  11.672
  447    HD3  LYS  57           HD3      LYS  57   1.258  -6.380  11.448
  448    HE2  LYS  57           HE2      LYS  57  -0.914  -7.220  12.026
  449    HE3  LYS  57           HE3      LYS  57  -0.298  -8.868  12.129
  450    HZ1  LYS  57           HZ1      LYS  57  -0.566  -7.785  14.310
  451    HZ2  LYS  57           HZ2      LYS  57   0.586  -6.629  13.870
  452    HZ3  LYS  57           HZ3      LYS  57   1.032  -8.256  14.012
  453    H    ARG  58           HN       ARG  58   3.882  -8.053   7.767
  454    HA   ARG  58           HA       ARG  58   5.049  -6.056   5.974
  455    HB2  ARG  58           HB2      ARG  58   5.616  -8.991   6.366
  456    HB3  ARG  58           HB3      ARG  58   6.319  -8.045   5.065
  457    HG2  ARG  58           HG2      ARG  58   6.842  -6.573   7.342
  458    HG3  ARG  58           HG3      ARG  58   7.087  -8.246   7.841
  459    HD2  ARG  58           HD2      ARG  58   8.265  -7.118   5.321
  460    HD3  ARG  58           HD3      ARG  58   9.100  -7.031   6.873
  461    HE   ARG  58           HE       ARG  58   8.229  -9.676   6.105
  462   HH11  ARG  58          HH11      ARG  58  12.039  -8.503   5.716
  463   HH12  ARG  58          HH12      ARG  58  10.800  -7.325   5.996
  464   HH21  ARG  58          HH21      ARG  58  11.503 -10.723   5.572
  465   HH22  ARG  58          HH22      ARG  58   9.857 -11.233   5.740
  466    H    LEU  59           HN       LEU  59   4.601  -6.048   3.788
  467    HA   LEU  59           HA       LEU  59   2.072  -7.275   3.076
  468    HB2  LEU  59           HB2      LEU  59   3.845  -5.229   1.820
  469    HB3  LEU  59           HB3      LEU  59   2.571  -5.967   0.882
  470    HG   LEU  59           HG       LEU  59   2.055  -3.749   1.931
  471   HD11  LEU  59          HD11      LEU  59   0.346  -6.155   2.457
  472   HD12  LEU  59          HD12      LEU  59  -0.207  -4.511   2.776
  473   HD13  LEU  59          HD13      LEU  59   0.228  -4.992   1.137
  474   HD21  LEU  59          HD21      LEU  59   3.179  -4.284   4.088
  475   HD22  LEU  59          HD22      LEU  59   1.556  -3.616   4.249
  476   HD23  LEU  59          HD23      LEU  59   1.820  -5.347   4.458
  477    H    GLU  60           HN       GLU  60   1.952  -9.185   2.223
  478    HA   GLU  60           HA       GLU  60   4.250 -10.301   0.786
  479    HB2  GLU  60           HB2      GLU  60   1.808 -11.704   1.886
  480    HB3  GLU  60           HB3      GLU  60   3.217 -12.480   1.178
  481    HG2  GLU  60           HG2      GLU  60   4.606 -11.609   2.992
  482    HG3  GLU  60           HG3      GLU  60   3.185 -10.844   3.703
  483    H    ASP  61           HN       ASP  61   4.102 -11.046  -1.287
  484    HA   ASP  61           HA       ASP  61   2.242  -9.857  -3.012
  485    HB2  ASP  61           HB2      ASP  61   4.016 -12.258  -3.505
  486    HB3  ASP  61           HB3      ASP  61   3.208 -11.312  -4.753
  487    H    GLY  62           HN       GLY  62   0.237 -10.389  -3.581
  488    HA2  GLY  62           HA1      GLY  62  -1.376 -11.995  -4.335
  489    HA3  GLY  62           HA2      GLY  62  -0.614 -13.191  -3.300
  490    H    LYS  63           HN       LYS  63  -0.490 -11.285  -1.021
  491    HA   LYS  63           HA       LYS  63  -3.030 -11.932   0.102
  492    HB2  LYS  63           HB2      LYS  63  -0.562 -11.360   1.140
  493    HB3  LYS  63           HB3      LYS  63  -1.457  -9.892   1.505
  494    HG2  LYS  63           HG2      LYS  63  -1.609 -11.415   3.358
  495    HG3  LYS  63           HG3      LYS  63  -3.192 -11.249   2.602
  496    HD2  LYS  63           HD2      LYS  63  -3.099 -13.368   1.648
  497    HD3  LYS  63           HD3      LYS  63  -1.344 -13.461   1.800
  498    HE2  LYS  63           HE2      LYS  63  -1.568 -13.631   4.232
  499    HE3  LYS  63           HE3      LYS  63  -3.321 -13.539   4.076
  500    HZ1  LYS  63           HZ1      LYS  63  -1.592 -15.685   2.970
  501    HZ2  LYS  63           HZ2      LYS  63  -3.271 -15.594   2.797
  502    HZ3  LYS  63           HZ3      LYS  63  -2.593 -15.818   4.329
  503    H    MET  64           HN       MET  64  -4.652 -10.509   0.850
  504    HA   MET  64           HA       MET  64  -4.910  -8.110  -0.802
  505    HB2  MET  64           HB2      MET  64  -7.232  -8.740   0.782
  506    HB3  MET  64           HB3      MET  64  -7.065  -8.635  -0.958
  507    HG2  MET  64           HG2      MET  64  -6.177 -10.952  -0.955
  508    HG3  MET  64           HG3      MET  64  -6.537 -11.032   0.766
  509    HE1  MET  64           HE1      MET  64 -10.434 -10.681   0.805
  510    HE2  MET  64           HE2      MET  64  -8.980 -10.904   1.778
  511    HE3  MET  64           HE3      MET  64  -9.255  -9.376   0.940
  512    H    MET  65           HN       MET  65  -5.651  -6.136   0.072
  513    HA   MET  65           HA       MET  65  -4.423  -5.282   2.423
  514    HB2  MET  65           HB2      MET  65  -6.990  -3.965   1.660
  515    HB3  MET  65           HB3      MET  65  -5.470  -3.240   2.156
  516    HG2  MET  65           HG2      MET  65  -4.704  -4.275  -0.175
  517    HG3  MET  65           HG3      MET  65  -6.421  -4.047  -0.508
  518    HE1  MET  65           HE1      MET  65  -7.647  -1.564  -0.123
  519    HE2  MET  65           HE2      MET  65  -6.922  -1.533   1.483
  520    HE3  MET  65           HE3      MET  65  -6.728  -0.155   0.401
  521    H    ALA  66           HN       ALA  66  -7.715  -6.426   1.882
  522    HA   ALA  66           HA       ALA  66  -8.754  -5.956   4.428
  523    HB1  ALA  66           HB1      ALA  66 -10.154  -6.523   2.512
  524    HB2  ALA  66           HB2      ALA  66  -9.478  -8.153   2.489
  525    HB3  ALA  66           HB3      ALA  66 -10.454  -7.621   3.859
  526    H    ASP  67           HN       ASP  67  -6.722  -8.533   3.199
  527    HA   ASP  67           HA       ASP  67  -7.082 -10.366   5.299
  528    HB2  ASP  67           HB2      ASP  67  -5.917 -10.895   3.170
  529    HB3  ASP  67           HB3      ASP  67  -4.566  -9.890   3.684
  530    H    TYR  68           HN       TYR  68  -5.362  -7.373   5.107
  531    HA   TYR  68           HA       TYR  68  -3.896  -7.876   7.584
  532    HB2  TYR  68           HB2      TYR  68  -3.920  -5.477   5.737
  533    HB3  TYR  68           HB3      TYR  68  -2.873  -5.660   7.143
  534    HD1  TYR  68           HD1      TYR  68  -3.576  -6.877   3.745
  535    HD2  TYR  68           HD2      TYR  68  -0.956  -7.089   7.085
  536    HE1  TYR  68           HE1      TYR  68  -1.903  -8.006   2.344
  537    HE2  TYR  68           HE2      TYR  68   0.732  -8.216   5.707
  538    HH   TYR  68           HH       TYR  68   0.528  -8.363   2.316
  539    H    GLY  69           HN       GLY  69  -6.939  -7.186   6.942
  540    HA2  GLY  69           HA1      GLY  69  -8.652  -6.135   8.044
  541    HA3  GLY  69           HA2      GLY  69  -7.609  -6.213   9.456
  542    H    ILE  70           HN       ILE  70  -7.021  -4.444   6.441
  543    HA   ILE  70           HA       ILE  70  -6.319  -2.102   7.875
  544    HB   ILE  70           HB       ILE  70  -5.900  -1.059   5.800
  545   HG12  ILE  70          HG12      ILE  70  -7.662  -1.304   4.330
  546   HG13  ILE  70          HG13      ILE  70  -6.505  -2.434   3.644
  547   HG21  ILE  70          HG21      ILE  70  -4.334  -2.784   6.415
  548   HG22  ILE  70          HG22      ILE  70  -5.290  -3.992   5.552
  549   HG23  ILE  70          HG23      ILE  70  -4.492  -2.695   4.661
  550   HD11  ILE  70          HD11      ILE  70  -8.702  -3.380   3.617
  551   HD12  ILE  70          HD12      ILE  70  -7.678  -4.279   4.737
  552   HD13  ILE  70          HD13      ILE  70  -8.866  -3.131   5.356
  553    H    ARG  71           HN       ARG  71  -7.296   0.065   7.062
  554    HA   ARG  71           HA       ARG  71 -10.225  -0.110   7.161
  555    HB2  ARG  71           HB2      ARG  71 -10.183   1.878   8.651
  556    HB3  ARG  71           HB3      ARG  71  -9.468   0.443   9.370
  557    HG2  ARG  71           HG2      ARG  71  -7.267   1.280   9.033
  558    HG3  ARG  71           HG3      ARG  71  -7.871   2.629   8.067
  559    HD2  ARG  71           HD2      ARG  71  -8.519   2.166  10.976
  560    HD3  ARG  71           HD3      ARG  71  -7.270   3.263  10.389
  561    HE   ARG  71           HE       ARG  71  -9.604   4.002   9.115
  562   HH11  ARG  71          HH11      ARG  71  -9.460   5.058  12.973
  563   HH12  ARG  71          HH12      ARG  71  -8.466   3.762  12.398
  564   HH21  ARG  71          HH21      ARG  71 -10.855   6.165  11.533
  565   HH22  ARG  71          HH22      ARG  71 -10.918   5.709   9.864
  566    H    LYS  72           HN       LYS  72 -11.256   2.036   6.607
  567    HA   LYS  72           HA       LYS  72 -10.526   2.842   4.048
  568    HB2  LYS  72           HB2      LYS  72 -11.928   4.890   5.637
  569    HB3  LYS  72           HB3      LYS  72 -12.359   4.158   4.101
  570    HG2  LYS  72           HG2      LYS  72 -12.785   2.952   6.827
  571    HG3  LYS  72           HG3      LYS  72 -14.020   3.658   5.787
  572    HD2  LYS  72           HD2      LYS  72 -13.149   1.897   4.065
  573    HD3  LYS  72           HD3      LYS  72 -12.549   1.079   5.506
  574    HE2  LYS  72           HE2      LYS  72 -15.397   1.903   4.977
  575    HE3  LYS  72           HE3      LYS  72 -14.762   0.262   4.892
  576    HZ1  LYS  72           HZ1      LYS  72 -15.881   0.625   6.984
  577    HZ2  LYS  72           HZ2      LYS  72 -14.899   1.959   7.326
  578    HZ3  LYS  72           HZ3      LYS  72 -14.225   0.409   7.260
  579    H    GLY  73           HN       GLY  73  -8.639   3.739   3.549
  580    HA2  GLY  73           HA1      GLY  73  -7.026   5.391   3.441
  581    HA3  GLY  73           HA2      GLY  73  -7.889   6.263   4.703
  582    H    ASN  74           HN       ASN  74  -6.429   3.017   4.584
  583    HA   ASN  74           HA       ASN  74  -5.322   3.419   7.208
  584    HB2  ASN  74           HB2      ASN  74  -6.215   1.198   6.046
  585    HB3  ASN  74           HB3      ASN  74  -4.524   1.065   5.570
  586   HD21  ASN  74          HD21      ASN  74  -5.372   2.693   8.496
  587   HD22  ASN  74          HD22      ASN  74  -4.826   1.466   9.585
  588    H    LEU  75           HN       LEU  75  -3.115   3.104   7.749
  589    HA   LEU  75           HA       LEU  75  -1.357   4.608   6.043
  590    HB2  LEU  75           HB2      LEU  75  -0.997   3.342   8.749
  591    HB3  LEU  75           HB3      LEU  75   0.277   4.220   7.930
  592    HG   LEU  75           HG       LEU  75  -2.374   5.377   8.795
  593   HD11  LEU  75          HD11      LEU  75   0.412   5.652   9.906
  594   HD12  LEU  75          HD12      LEU  75  -0.956   6.662  10.375
  595   HD13  LEU  75          HD13      LEU  75  -0.986   4.929  10.700
  596   HD21  LEU  75          HD21      LEU  75   0.026   6.649   7.484
  597   HD22  LEU  75          HD22      LEU  75  -1.593   6.488   6.805
  598   HD23  LEU  75          HD23      LEU  75  -1.322   7.538   8.195
  599    H    LEU  76           HN       LEU  76   0.068   3.857   4.640
  600    HA   LEU  76           HA       LEU  76   1.054   1.097   4.925
  601    HB2  LEU  76           HB2      LEU  76   0.827   2.162   2.180
  602    HB3  LEU  76           HB3      LEU  76   0.611   0.528   2.771
  603    HG   LEU  76           HG       LEU  76  -1.444   2.695   3.168
  604   HD11  LEU  76          HD11      LEU  76  -2.597   1.859   1.250
  605   HD12  LEU  76          HD12      LEU  76  -0.953   2.258   0.759
  606   HD13  LEU  76          HD13      LEU  76  -1.410   0.575   1.027
  607   HD21  LEU  76          HD21      LEU  76  -1.611  -0.315   3.313
  608   HD22  LEU  76          HD22      LEU  76  -1.576   0.778   4.695
  609   HD23  LEU  76          HD23      LEU  76  -2.939   0.814   3.576
  610    H    PHE  77           HN       PHE  77   3.125   1.425   5.505
  611    HA   PHE  77           HA       PHE  77   4.637   3.673   4.552
  612    HB2  PHE  77           HB2      PHE  77   5.424   1.238   6.165
  613    HB3  PHE  77           HB3      PHE  77   6.531   2.549   5.780
  614    HD1  PHE  77           HD1      PHE  77   6.297   4.723   6.824
  615    HD2  PHE  77           HD2      PHE  77   3.652   1.527   7.774
  616    HE1  PHE  77           HE1      PHE  77   5.531   5.953   8.813
  617    HE2  PHE  77           HE2      PHE  77   2.881   2.751   9.763
  618    HZ   PHE  77           HZ       PHE  77   3.815   4.969  10.282
  619    H    LEU  78           HN       LEU  78   5.769   3.799   2.725
  620    HA   LEU  78           HA       LEU  78   6.197   1.358   1.175
  621    HB2  LEU  78           HB2      LEU  78   5.084   3.199   0.039
  622    HB3  LEU  78           HB3      LEU  78   6.427   4.266   0.398
  623    HG   LEU  78           HG       LEU  78   7.890   2.859  -1.026
  624   HD11  LEU  78          HD11      LEU  78   6.687   0.751  -0.817
  625   HD12  LEU  78          HD12      LEU  78   5.324   1.430  -1.707
  626   HD13  LEU  78          HD13      LEU  78   6.879   1.206  -2.510
  627   HD21  LEU  78          HD21      LEU  78   5.402   3.891  -2.381
  628   HD22  LEU  78          HD22      LEU  78   6.812   4.851  -1.935
  629   HD23  LEU  78          HD23      LEU  78   6.955   3.590  -3.160
  630    H    ALA  79           HN       ALA  79   8.153   0.614   0.590
  631    HA   ALA  79           HA       ALA  79  10.567   2.135   1.108
  632    HB1  ALA  79           HB1      ALA  79   9.951   0.963   3.264
  633    HB2  ALA  79           HB2      ALA  79  10.254  -0.556   2.417
  634    HB3  ALA  79           HB3      ALA  79  11.559   0.613   2.627
  635    H    SER  80           HN       SER  80  12.534   0.697   0.492
  636    HA   SER  80           HA       SER  80  11.775  -1.107  -1.705
  637    HB2  SER  80           HB2      SER  80  13.628  -0.220  -3.053
  638    HB3  SER  80           HB3      SER  80  12.457   1.042  -2.668
  639    HG   SER  80           HG       SER  80  15.090   0.852  -2.000
  640    H    TYR  81           HN       TYR  81  13.516  -2.594  -2.358
  641    HA   TYR  81           HA       TYR  81  14.467  -4.176  -0.362
  642    HB2  TYR  81           HB2      TYR  81  14.872  -3.962  -3.167
  643    HB3  TYR  81           HB3      TYR  81  16.438  -4.238  -2.417
  644    HD1  TYR  81           HD1      TYR  81  13.028  -5.606  -2.818
  645    HD2  TYR  81           HD2      TYR  81  17.004  -6.356  -1.509
  646    HE1  TYR  81           HE1      TYR  81  12.507  -8.002  -2.628
  647    HE2  TYR  81           HE2      TYR  81  16.497  -8.753  -1.316
  648    HH   TYR  81           HH       TYR  81  13.690 -10.149  -2.627
  649    H    SER  82           HN       SER  82  15.686  -3.674   1.334
  650    HA   SER  82           HA       SER  82  18.286  -2.457   0.914
  651    HB2  SER  82           HB2      SER  82  16.859  -0.498   1.267
  652    HB3  SER  82           HB3      SER  82  16.242  -1.202   2.762
  653    HG   SER  82           HG       SER  82  18.001   0.362   2.985
  654    H    ILE  83           HN       ILE  83  15.938  -3.940   3.057
  655    HA   ILE  83           HA       ILE  83  18.165  -5.095   4.598
  656    HB   ILE  83           HB       ILE  83  15.509  -4.208   5.730
  657   HG12  ILE  83          HG12      ILE  83  17.024  -2.328   5.238
  658   HG13  ILE  83          HG13      ILE  83  16.803  -2.545   6.970
  659   HG21  ILE  83          HG21      ILE  83  17.890  -5.490   7.060
  660   HG22  ILE  83          HG22      ILE  83  16.494  -4.824   7.906
  661   HG23  ILE  83          HG23      ILE  83  16.296  -6.208   6.831
  662   HD11  ILE  83          HD11      ILE  83  19.120  -2.036   6.374
  663   HD12  ILE  83          HD12      ILE  83  18.966  -3.620   7.134
  664   HD13  ILE  83          HD13      ILE  83  19.181  -3.496   5.388
  665    H    GLY  84           HN       GLY  84  14.759  -5.429   3.654
  666    HA2  GLY  84           HA1      GLY  84  14.457  -8.106   4.512
  667    HA3  GLY  84           HA2      GLY  84  13.444  -7.286   3.335
  668    H    GLY  85           HN       GLY  85  16.210  -9.346   3.816
  669    HA2  GLY  85           HA1      GLY  85  15.872 -10.692   1.376
  670    HA3  GLY  85           HA2      GLY  85  17.138  -9.491   1.168
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1 -27.460  -5.339   1.238
    2    H2   GLY   1           H2       GLY   1 -26.745  -6.230  -0.009
    3    H3   GLY   1           H3       GLY   1 -26.205  -4.664   0.325
    4    HA2  GLY   1           HA2      GLY   1 -25.945  -7.023   2.108
    5    HA3  GLY   1           HA1      GLY   1 -24.645  -6.283   1.188
    6    H    ALA   2           HN       ALA   2 -23.329  -5.493   2.725
    7    HA   ALA   2           HA       ALA   2 -24.425  -4.095   5.025
    8    HB1  ALA   2           HB1      ALA   2 -21.556  -4.668   4.290
    9    HB2  ALA   2           HB2      ALA   2 -22.124  -4.015   5.826
   10    HB3  ALA   2           HB3      ALA   2 -22.568  -5.654   5.346
   11    H    MET   3           HN       MET   3 -21.659  -3.254   2.949
   12    HA   MET   3           HA       MET   3 -22.677  -0.489   2.872
   13    HB2  MET   3           HB2      MET   3 -19.861  -1.547   3.006
   14    HB3  MET   3           HB3      MET   3 -20.209   0.091   2.472
   15    HG2  MET   3           HG2      MET   3 -19.636   0.181   4.771
   16    HG3  MET   3           HG3      MET   3 -21.368   0.479   4.640
   17    HE1  MET   3           HE1      MET   3 -19.384  -2.928   4.428
   18    HE2  MET   3           HE2      MET   3 -18.566  -2.031   5.705
   19    HE3  MET   3           HE3      MET   3 -19.494  -3.477   6.099
   20    H    GLY   4           HN       GLY   4 -22.849   0.530   0.939
   21    HA2  GLY   4           HA1      GLY   4 -22.852  -1.069  -1.426
   22    HA3  GLY   4           HA2      GLY   4 -23.171   0.657  -1.339
   23    H    ASP   5           HN       ASP   5 -20.599   1.217  -0.030
   24    HA   ASP   5           HA       ASP   5 -19.048   1.604  -2.384
   25    HB2  ASP   5           HB2      ASP   5 -17.403   2.629  -0.901
   26    HB3  ASP   5           HB3      ASP   5 -19.021   3.194  -0.500
   27    H    GLU   6           HN       GLU   6 -17.073   0.705  -2.966
   28    HA   GLU   6           HA       GLU   6 -16.434  -1.854  -1.652
   29    HB2  GLU   6           HB2      GLU   6 -16.069  -1.109  -4.560
   30    HB3  GLU   6           HB3      GLU   6 -15.641  -2.652  -3.835
   31    HG2  GLU   6           HG2      GLU   6 -18.417  -1.513  -4.062
   32    HG3  GLU   6           HG3      GLU   6 -17.733  -2.800  -5.054
   33    H    GLU   7           HN       GLU   7 -14.944   0.623  -3.744
   34    HA   GLU   7           HA       GLU   7 -12.290   0.004  -3.012
   35    HB2  GLU   7           HB2      GLU   7 -13.304   2.667  -4.016
   36    HB3  GLU   7           HB3      GLU   7 -11.670   2.031  -4.151
   37    HG2  GLU   7           HG2      GLU   7 -12.496   0.257  -5.629
   38    HG3  GLU   7           HG3      GLU   7 -14.119   0.933  -5.512
   39    H    LEU   8           HN       LEU   8 -10.845   1.089  -1.640
   40    HA   LEU   8           HA       LEU   8 -12.078   2.846   0.372
   41    HB2  LEU   8           HB2      LEU   8 -10.182   0.550   0.859
   42    HB3  LEU   8           HB3      LEU   8 -10.592   1.749   2.068
   43    HG   LEU   8           HG       LEU   8 -12.445  -0.275   0.817
   44   HD11  LEU   8          HD11      LEU   8 -10.951  -1.099   2.588
   45   HD12  LEU   8          HD12      LEU   8 -11.570   0.152   3.669
   46   HD13  LEU   8          HD13      LEU   8 -12.645  -1.116   3.080
   47   HD21  LEU   8          HD21      LEU   8 -14.173   0.662   2.307
   48   HD22  LEU   8          HD22      LEU   8 -13.072   1.976   2.723
   49   HD23  LEU   8          HD23      LEU   8 -13.657   1.806   1.069
   50    HA   PRO   9           HA       PRO   9  -8.501   5.365  -0.251
   51    HB2  PRO   9           HB2      PRO   9  -8.529   6.492   2.366
   52    HB3  PRO   9           HB3      PRO   9  -9.281   7.140   0.909
   53    HG2  PRO   9           HG2      PRO   9 -10.655   6.201   3.127
   54    HG3  PRO   9           HG3      PRO   9 -11.341   6.382   1.503
   55    HD2  PRO   9           HD2      PRO   9 -10.300   3.929   2.862
   56    HD3  PRO   9           HD3      PRO   9 -11.696   4.109   1.783
   57    H    LEU  10           HN       LEU  10  -6.300   5.829   0.439
   58    HA   LEU  10           HA       LEU  10  -5.231   4.218   2.608
   59    HB2  LEU  10           HB2      LEU  10  -4.341   3.904  -0.256
   60    HB3  LEU  10           HB3      LEU  10  -3.461   3.298   1.131
   61    HG   LEU  10           HG       LEU  10  -6.290   2.462   0.722
   62   HD11  LEU  10          HD11      LEU  10  -4.862   2.198  -1.406
   63   HD12  LEU  10          HD12      LEU  10  -4.009   0.950  -0.499
   64   HD13  LEU  10          HD13      LEU  10  -5.738   0.791  -0.806
   65   HD21  LEU  10          HD21      LEU  10  -3.877   1.092   1.895
   66   HD22  LEU  10          HD22      LEU  10  -5.156   1.891   2.808
   67   HD23  LEU  10          HD23      LEU  10  -5.520   0.452   1.857
   68    H    PHE  11           HN       PHE  11  -2.905   4.623   2.916
   69    HA   PHE  11           HA       PHE  11  -2.125   7.326   2.059
   70    HB2  PHE  11           HB2      PHE  11  -2.168   6.190   4.846
   71    HB3  PHE  11           HB3      PHE  11  -1.186   7.589   4.424
   72    HD1  PHE  11           HD1      PHE  11  -4.303   6.491   5.599
   73    HD2  PHE  11           HD2      PHE  11  -2.487   9.552   3.269
   74    HE1  PHE  11           HE1      PHE  11  -6.250   7.936   5.992
   75    HE2  PHE  11           HE2      PHE  11  -4.434  11.008   3.656
   76    HZ   PHE  11           HZ       PHE  11  -6.319  10.200   5.020
   77    H    LEU  12           HN       LEU  12  -0.405   6.937   0.800
   78    HA   LEU  12           HA       LEU  12   1.501   4.862   1.454
   79    HB2  LEU  12           HB2      LEU  12   0.679   5.502  -0.882
   80    HB3  LEU  12           HB3      LEU  12   1.690   6.924  -0.736
   81    HG   LEU  12           HG       LEU  12   2.694   5.080  -2.050
   82   HD11  LEU  12          HD11      LEU  12   4.055   6.811  -0.919
   83   HD12  LEU  12          HD12      LEU  12   4.234   5.720   0.456
   84   HD13  LEU  12          HD13      LEU  12   4.895   5.273  -1.116
   85   HD21  LEU  12          HD21      LEU  12   2.831   3.662   0.604
   86   HD22  LEU  12          HD22      LEU  12   1.807   3.205  -0.757
   87   HD23  LEU  12          HD23      LEU  12   3.562   3.119  -0.906
   88    H    VAL  13           HN       VAL  13   2.735   5.407   3.205
   89    HA   VAL  13           HA       VAL  13   3.828   8.114   3.374
   90    HB   VAL  13           HB       VAL  13   4.081   5.896   5.403
   91   HG11  VAL  13          HG11      VAL  13   4.535   7.746   6.955
   92   HG12  VAL  13          HG12      VAL  13   5.721   7.664   5.654
   93   HG13  VAL  13          HG13      VAL  13   4.447   8.882   5.610
   94   HG21  VAL  13          HG21      VAL  13   2.231   6.998   6.597
   95   HG22  VAL  13          HG22      VAL  13   2.007   8.080   5.222
   96   HG23  VAL  13          HG23      VAL  13   1.729   6.348   5.036
   97    H    GLU  14           HN       GLU  14   5.684   8.425   2.323
   98    HA   GLU  14           HA       GLU  14   7.468   6.370   1.593
   99    HB2  GLU  14           HB2      GLU  14   7.443   9.324   1.470
  100    HB3  GLU  14           HB3      GLU  14   9.027   8.565   1.431
  101    HG2  GLU  14           HG2      GLU  14   6.779   7.794  -0.397
  102    HG3  GLU  14           HG3      GLU  14   7.975   9.022  -0.795
  103    H    SER  15           HN       SER  15   8.926   5.324   2.734
  104    HA   SER  15           HA       SER  15   9.365   5.732   5.464
  105    HB2  SER  15           HB2      SER  15  11.205   4.101   5.227
  106    HB3  SER  15           HB3      SER  15   9.744   3.569   4.395
  107    HG   SER  15           HG       SER  15  10.665   4.018   2.466
  108    H    GLY  16           HN       GLY  16  11.379   6.633   2.683
  109    HA2  GLY  16           HA1      GLY  16  13.527   7.664   4.154
  110    HA3  GLY  16           HA2      GLY  16  13.112   8.133   2.511
  111    H    ASP  17           HN       ASP  17  10.572   9.225   3.008
  112    HA   ASP  17           HA       ASP  17  10.961  11.329   4.984
  113    HB2  ASP  17           HB2      ASP  17  10.511  11.924   2.049
  114    HB3  ASP  17           HB3      ASP  17  10.510  13.116   3.345
  115    H    GLU  18           HN       GLU  18   9.150  11.232   6.129
  116    HA   GLU  18           HA       GLU  18   6.748  10.063   5.314
  117    HB2  GLU  18           HB2      GLU  18   6.891  12.226   7.403
  118    HB3  GLU  18           HB3      GLU  18   5.815  10.837   7.342
  119    HG2  GLU  18           HG2      GLU  18   7.786   9.369   7.699
  120    HG3  GLU  18           HG3      GLU  18   8.767  10.819   7.912
  121    H    ALA  19           HN       ALA  19   7.994  13.258   4.862
  122    HA   ALA  19           HA       ALA  19   5.595  14.643   4.378
  123    HB1  ALA  19           HB1      ALA  19   6.989  16.318   3.300
  124    HB2  ALA  19           HB2      ALA  19   7.745  15.750   4.788
  125    HB3  ALA  19           HB3      ALA  19   8.331  15.177   3.227
  126    H    LYS  20           HN       LYS  20   7.633  12.660   2.307
  127    HA   LYS  20           HA       LYS  20   6.177  13.334  -0.073
  128    HB2  LYS  20           HB2      LYS  20   8.105  11.046   0.253
  129    HB3  LYS  20           HB3      LYS  20   7.680  11.902  -1.222
  130    HG2  LYS  20           HG2      LYS  20   9.336  12.917   1.071
  131    HG3  LYS  20           HG3      LYS  20   9.860  12.594  -0.582
  132    HD2  LYS  20           HD2      LYS  20   8.229  14.369  -1.317
  133    HD3  LYS  20           HD3      LYS  20   8.025  14.777   0.385
  134    HE2  LYS  20           HE2      LYS  20  10.416  15.246   0.564
  135    HE3  LYS  20           HE3      LYS  20  10.630  14.825  -1.135
  136    HZ1  LYS  20           HZ1      LYS  20  10.488  17.223  -0.793
  137    HZ2  LYS  20           HZ2      LYS  20   8.944  17.051  -0.123
  138    HZ3  LYS  20           HZ3      LYS  20   9.208  16.664  -1.748
  139    H    ARG  21           HN       ARG  21   4.241  12.572   1.503
  140    HA   ARG  21           HA       ARG  21   3.716   9.735   0.969
  141    HB2  ARG  21           HB2      ARG  21   1.969   9.901   2.673
  142    HB3  ARG  21           HB3      ARG  21   3.517  10.415   3.300
  143    HG2  ARG  21           HG2      ARG  21   2.217  12.064   4.140
  144    HG3  ARG  21           HG3      ARG  21   2.638  12.786   2.582
  145    HD2  ARG  21           HD2      ARG  21   0.562  11.587   1.713
  146    HD3  ARG  21           HD3      ARG  21   0.107  11.430   3.407
  147    HE   ARG  21           HE       ARG  21   0.690  14.089   3.063
  148   HH11  ARG  21          HH11      ARG  21  -2.726  13.010   1.271
  149   HH12  ARG  21          HH12      ARG  21  -1.525  11.814   1.624
  150   HH21  ARG  21          HH21      ARG  21  -2.364  15.201   1.822
  151   HH22  ARG  21          HH22      ARG  21  -0.888  15.670   2.597
  152    H    HIS  22           HN       HIS  22   1.598   9.108   0.164
  153    HA   HIS  22           HA       HIS  22   0.087  11.222  -1.185
  154    HB2  HIS  22           HB2      HIS  22   0.686   8.824  -2.837
  155    HB3  HIS  22           HB3      HIS  22   0.453  10.500  -3.327
  156    HD2  HIS  22           HD2      HIS  22   3.234   8.054  -3.134
  157    HE1  HIS  22           HE1      HIS  22   5.019  11.821  -2.402
  158    H    LEU  23           HN       LEU  23  -2.039  10.902  -1.115
  159    HA   LEU  23           HA       LEU  23  -3.082   8.454   0.052
  160    HB2  LEU  23           HB2      LEU  23  -3.803  10.880   0.589
  161    HB3  LEU  23           HB3      LEU  23  -4.706  10.794  -0.909
  162    HG   LEU  23           HG       LEU  23  -5.110   8.982   1.476
  163   HD11  LEU  23          HD11      LEU  23  -6.786  11.251   0.421
  164   HD12  LEU  23          HD12      LEU  23  -7.209  10.185   1.760
  165   HD13  LEU  23          HD13      LEU  23  -5.827  11.272   1.902
  166   HD21  LEU  23          HD21      LEU  23  -7.188   8.335   0.252
  167   HD22  LEU  23          HD22      LEU  23  -6.560   9.186  -1.158
  168   HD23  LEU  23          HD23      LEU  23  -5.697   7.790  -0.513
  169    H    LEU  24           HN       LEU  24  -3.797   6.805  -1.118
  170    HA   LEU  24           HA       LEU  24  -4.850   7.342  -3.811
  171    HB2  LEU  24           HB2      LEU  24  -3.211   4.928  -3.076
  172    HB3  LEU  24           HB3      LEU  24  -3.816   5.345  -4.661
  173    HG   LEU  24           HG       LEU  24  -1.709   6.875  -3.136
  174   HD11  LEU  24          HD11      LEU  24  -1.498   5.050  -5.530
  175   HD12  LEU  24          HD12      LEU  24  -0.186   6.013  -4.852
  176   HD13  LEU  24          HD13      LEU  24  -0.905   4.712  -3.904
  177   HD21  LEU  24          HD21      LEU  24  -2.723   7.216  -5.955
  178   HD22  LEU  24          HD22      LEU  24  -3.092   8.283  -4.602
  179   HD23  LEU  24          HD23      LEU  24  -1.435   8.143  -5.187
  180    H    GLN  25           HN       GLN  25  -6.685   6.288  -4.343
  181    HA   GLN  25           HA       GLN  25  -7.911   4.679  -2.237
  182    HB2  GLN  25           HB2      GLN  25 -10.029   5.132  -3.266
  183    HB3  GLN  25           HB3      GLN  25  -9.146   6.645  -3.153
  184    HG2  GLN  25           HG2      GLN  25  -9.820   6.887  -5.275
  185    HG3  GLN  25           HG3      GLN  25  -8.420   5.873  -5.622
  186   HE21  GLN  25          HE21      GLN  25  -9.891   3.571  -4.318
  187   HE22  GLN  25          HE22      GLN  25 -10.960   3.009  -5.546
  188    H    VAL  26           HN       VAL  26  -7.947   2.572  -2.367
  189    HA   VAL  26           HA       VAL  26  -8.336   1.217  -4.908
  190    HB   VAL  26           HB       VAL  26  -6.191   0.002  -3.270
  191   HG11  VAL  26          HG11      VAL  26  -6.997  -1.081  -5.272
  192   HG12  VAL  26          HG12      VAL  26  -6.620   0.352  -6.230
  193   HG13  VAL  26          HG13      VAL  26  -5.319  -0.581  -5.490
  194   HG21  VAL  26          HG21      VAL  26  -5.389   2.261  -3.211
  195   HG22  VAL  26          HG22      VAL  26  -4.443   1.373  -4.406
  196   HG23  VAL  26          HG23      VAL  26  -5.717   2.474  -4.930
  197    H    ARG  27           HN       ARG  27  -9.187  -0.895  -4.652
  198    HA   ARG  27           HA       ARG  27 -10.809  -1.252  -2.386
  199    HB2  ARG  27           HB2      ARG  27  -9.998  -3.466  -4.258
  200    HB3  ARG  27           HB3      ARG  27 -11.486  -3.321  -3.336
  201    HG2  ARG  27           HG2      ARG  27 -12.238  -1.520  -4.709
  202    HG3  ARG  27           HG3      ARG  27 -10.682  -1.457  -5.534
  203    HD2  ARG  27           HD2      ARG  27 -11.057  -3.697  -6.430
  204    HD3  ARG  27           HD3      ARG  27 -12.602  -3.781  -5.586
  205    HE   ARG  27           HE       ARG  27 -12.264  -1.587  -7.462
  206   HH11  ARG  27          HH11      ARG  27 -14.657  -4.724  -8.147
  207   HH12  ARG  27          HH12      ARG  27 -13.528  -4.772  -6.835
  208   HH21  ARG  27          HH21      ARG  27 -14.779  -2.874  -9.491
  209   HH22  ARG  27          HH22      ARG  27 -13.746  -1.515  -9.194
  210    H    ARG  28           HN       ARG  28 -10.693  -2.556  -0.652
  211    HA   ARG  28           HA       ARG  28  -8.139  -3.193   0.399
  212    HB2  ARG  28           HB2      ARG  28  -9.595  -4.474   2.128
  213    HB3  ARG  28           HB3      ARG  28  -9.679  -2.724   2.070
  214    HG2  ARG  28           HG2      ARG  28 -11.798  -2.705   1.316
  215    HG3  ARG  28           HG3      ARG  28 -11.603  -4.196   0.388
  216    HD2  ARG  28           HD2      ARG  28 -11.413  -5.326   2.685
  217    HD3  ARG  28           HD3      ARG  28 -12.133  -3.845   3.315
  218    HE   ARG  28           HE       ARG  28 -13.916  -4.407   1.492
  219   HH11  ARG  28          HH11      ARG  28 -13.557  -7.790   3.606
  220   HH12  ARG  28          HH12      ARG  28 -12.254  -6.649   3.582
  221   HH21  ARG  28          HH21      ARG  28 -15.477  -7.367   2.434
  222   HH22  ARG  28          HH22      ARG  28 -15.633  -5.905   1.519
  223    H    SER  29           HN       SER  29 -10.653  -5.007  -1.214
  224    HA   SER  29           HA       SER  29  -9.570  -7.582  -0.711
  225    HB2  SER  29           HB2      SER  29 -11.914  -7.270  -1.398
  226    HB3  SER  29           HB3      SER  29 -11.377  -6.653  -2.958
  227    HG   SER  29           HG       SER  29 -11.954  -9.055  -2.577
  228    H    SER  30           HN       SER  30  -8.539  -5.004  -2.628
  229    HA   SER  30           HA       SER  30  -7.365  -6.454  -4.781
  230    HB2  SER  30           HB2      SER  30  -6.479  -3.805  -3.619
  231    HB3  SER  30           HB3      SER  30  -6.060  -4.444  -5.206
  232    HG   SER  30           HG       SER  30  -8.271  -3.084  -4.440
  233    H    SER  31           HN       SER  31  -5.506  -7.565  -4.842
  234    HA   SER  31           HA       SER  31  -4.103  -8.016  -2.401
  235    HB2  SER  31           HB2      SER  31  -3.371  -8.839  -5.206
  236    HB3  SER  31           HB3      SER  31  -2.668  -9.481  -3.726
  237    HG   SER  31           HG       SER  31  -5.301  -9.704  -3.542
  238    H    VAL  32           HN       VAL  32  -1.924  -7.566  -2.006
  239    HA   VAL  32           HA       VAL  32  -1.052  -5.024  -2.236
  240    HB   VAL  32           HB       VAL  32   1.048  -5.737  -1.471
  241   HG11  VAL  32          HG11      VAL  32   0.557  -7.265   0.286
  242   HG12  VAL  32          HG12      VAL  32  -0.890  -6.302  -0.008
  243   HG13  VAL  32          HG13      VAL  32  -0.790  -7.953  -0.620
  244   HG21  VAL  32          HG21      VAL  32   1.885  -8.053  -1.719
  245   HG22  VAL  32          HG22      VAL  32   0.494  -8.410  -2.742
  246   HG23  VAL  32          HG23      VAL  32   1.688  -7.222  -3.262
  247    H    ALA  33           HN       ALA  33  -0.671  -7.575  -4.617
  248    HA   ALA  33           HA       ALA  33   1.347  -6.397  -6.182
  249    HB1  ALA  33           HB1      ALA  33  -0.862  -8.240  -7.082
  250    HB2  ALA  33           HB2      ALA  33   0.651  -7.924  -7.932
  251    HB3  ALA  33           HB3      ALA  33   0.672  -8.747  -6.372
  252    H    GLN  34           HN       GLN  34  -2.170  -6.013  -6.235
  253    HA   GLN  34           HA       GLN  34  -2.163  -4.446  -8.640
  254    HB2  GLN  34           HB2      GLN  34  -4.337  -4.795  -6.574
  255    HB3  GLN  34           HB3      GLN  34  -4.541  -4.113  -8.180
  256    HG2  GLN  34           HG2      GLN  34  -3.722  -6.941  -7.557
  257    HG3  GLN  34           HG3      GLN  34  -5.323  -6.414  -8.074
  258   HE21  GLN  34          HE21      GLN  34  -3.445  -8.289  -9.311
  259   HE22  GLN  34          HE22      GLN  34  -3.166  -7.693 -10.909
  260    H    VAL  35           HN       VAL  35  -2.586  -3.731  -5.186
  261    HA   VAL  35           HA       VAL  35  -3.030  -0.999  -5.452
  262    HB   VAL  35           HB       VAL  35  -1.638  -1.521  -3.019
  263   HG11  VAL  35          HG11      VAL  35  -3.666  -0.802  -2.035
  264   HG12  VAL  35          HG12      VAL  35  -3.516   0.076  -3.556
  265   HG13  VAL  35          HG13      VAL  35  -4.595  -1.316  -3.446
  266   HG21  VAL  35          HG21      VAL  35  -3.046  -3.259  -2.048
  267   HG22  VAL  35          HG22      VAL  35  -3.778  -3.547  -3.623
  268   HG23  VAL  35          HG23      VAL  35  -2.063  -3.891  -3.366
  269    H    LYS  36           HN       LYS  36  -0.058  -2.848  -4.880
  270    HA   LYS  36           HA       LYS  36   1.684  -0.647  -4.800
  271    HB2  LYS  36           HB2      LYS  36   1.983  -3.588  -5.197
  272    HB3  LYS  36           HB3      LYS  36   3.358  -2.539  -5.426
  273    HG2  LYS  36           HG2      LYS  36   2.994  -3.629  -3.142
  274    HG3  LYS  36           HG3      LYS  36   3.414  -1.932  -3.221
  275    HD2  LYS  36           HD2      LYS  36   1.400  -1.238  -2.478
  276    HD3  LYS  36           HD3      LYS  36   0.550  -2.589  -3.223
  277    HE2  LYS  36           HE2      LYS  36   1.255  -4.072  -1.482
  278    HE3  LYS  36           HE3      LYS  36   2.324  -2.848  -0.807
  279    HZ1  LYS  36           HZ1      LYS  36   0.404  -1.517  -0.235
  280    HZ2  LYS  36           HZ2      LYS  36   0.262  -3.056   0.453
  281    HZ3  LYS  36           HZ3      LYS  36  -0.637  -2.660  -0.923
  282    H    ALA  37           HN       ALA  37   0.333  -2.557  -7.415
  283    HA   ALA  37           HA       ALA  37   2.071  -1.867  -9.479
  284    HB1  ALA  37           HB1      ALA  37   0.229  -3.491  -9.734
  285    HB2  ALA  37           HB2      ALA  37  -0.933  -2.166  -9.660
  286    HB3  ALA  37           HB3      ALA  37   0.207  -2.265 -11.002
  287    H    MET  38           HN       MET  38  -0.698  -0.180  -8.094
  288    HA   MET  38           HA       MET  38  -0.539   2.099  -9.774
  289    HB2  MET  38           HB2      MET  38  -1.693   1.851  -6.986
  290    HB3  MET  38           HB3      MET  38  -1.989   3.176  -8.103
  291    HG2  MET  38           HG2      MET  38  -2.656   0.895  -9.532
  292    HG3  MET  38           HG3      MET  38  -3.272   0.601  -7.909
  293    HE1  MET  38           HE1      MET  38  -4.902   2.292  -6.640
  294    HE2  MET  38           HE2      MET  38  -3.827   3.646  -6.984
  295    HE3  MET  38           HE3      MET  38  -5.544   3.765  -7.367
  296    H    ILE  39           HN       ILE  39   0.806   1.228  -6.621
  297    HA   ILE  39           HA       ILE  39   1.932   3.661  -5.893
  298    HB   ILE  39           HB       ILE  39   3.010   0.878  -5.421
  299   HG12  ILE  39          HG12      ILE  39   0.798   1.157  -4.476
  300   HG13  ILE  39          HG13      ILE  39   1.988   1.163  -3.177
  301   HG21  ILE  39          HG21      ILE  39   4.818   2.354  -5.053
  302   HG22  ILE  39          HG22      ILE  39   3.791   3.512  -4.205
  303   HG23  ILE  39          HG23      ILE  39   4.157   1.952  -3.467
  304   HD11  ILE  39          HD11      ILE  39   0.266   2.840  -2.821
  305   HD12  ILE  39          HD12      ILE  39   1.847   3.588  -3.048
  306   HD13  ILE  39          HD13      ILE  39   0.671   3.595  -4.362
  307    H    GLU  40           HN       GLU  40   2.952   1.330  -8.281
  308    HA   GLU  40           HA       GLU  40   5.561   2.473  -8.678
  309    HB2  GLU  40           HB2      GLU  40   5.235   0.131  -9.194
  310    HB3  GLU  40           HB3      GLU  40   3.921   0.514 -10.297
  311    HG2  GLU  40           HG2      GLU  40   5.516   1.677 -11.760
  312    HG3  GLU  40           HG3      GLU  40   6.821   1.223 -10.669
  313    H    THR  41           HN       THR  41   2.376   2.723 -10.109
  314    HA   THR  41           HA       THR  41   3.019   4.206 -12.386
  315    HB   THR  41           HB       THR  41   0.468   4.848 -11.023
  316    HG1  THR  41           HG1      THR  41   1.343   2.232 -11.604
  317   HG21  THR  41          HG21      THR  41  -0.408   4.301 -13.265
  318   HG22  THR  41          HG22      THR  41   1.221   3.854 -13.766
  319   HG23  THR  41          HG23      THR  41   0.862   5.522 -13.318
  320    H    LYS  42           HN       LYS  42   2.899   5.119  -9.048
  321    HA   LYS  42           HA       LYS  42   3.011   7.961  -9.770
  322    HB2  LYS  42           HB2      LYS  42   2.334   6.528  -7.222
  323    HB3  LYS  42           HB3      LYS  42   2.718   8.246  -7.232
  324    HG2  LYS  42           HG2      LYS  42   0.478   8.412  -7.469
  325    HG3  LYS  42           HG3      LYS  42   0.890   8.190  -9.172
  326    HD2  LYS  42           HD2      LYS  42   0.658   5.702  -8.716
  327    HD3  LYS  42           HD3      LYS  42  -0.164   6.171  -7.229
  328    HE2  LYS  42           HE2      LYS  42  -1.818   7.410  -8.507
  329    HE3  LYS  42           HE3      LYS  42  -0.975   7.025 -10.007
  330    HZ1  LYS  42           HZ1      LYS  42  -2.871   5.576  -9.672
  331    HZ2  LYS  42           HZ2      LYS  42  -2.258   5.060  -8.184
  332    HZ3  LYS  42           HZ3      LYS  42  -1.436   4.680  -9.613
  333    H    THR  43           HN       THR  43   4.685   5.615  -7.647
  334    HA   THR  43           HA       THR  43   6.879   7.485  -7.272
  335    HB   THR  43           HB       THR  43   7.837   5.858  -5.761
  336    HG1  THR  43           HG1      THR  43   6.242   3.907  -5.499
  337   HG21  THR  43          HG21      THR  43   4.850   6.018  -5.343
  338   HG22  THR  43          HG22      THR  43   6.013   7.266  -4.896
  339   HG23  THR  43          HG23      THR  43   6.060   5.693  -4.102
  340    H    GLY  44           HN       GLY  44   6.291   4.381  -8.869
  341    HA2  GLY  44           HA1      GLY  44   7.346   3.764 -10.897
  342    HA3  GLY  44           HA2      GLY  44   8.656   4.873 -10.527
  343    H    ILE  45           HN       ILE  45   7.676   2.884  -7.928
  344    HA   ILE  45           HA       ILE  45  10.176   1.407  -8.104
  345    HB   ILE  45           HB       ILE  45   8.110   1.223  -5.918
  346   HG12  ILE  45          HG12      ILE  45   8.766   3.571  -6.236
  347   HG13  ILE  45          HG13      ILE  45   9.372   2.936  -4.716
  348   HG21  ILE  45          HG21      ILE  45  11.067   0.654  -5.973
  349   HG22  ILE  45          HG22      ILE  45  10.027   0.541  -4.554
  350   HG23  ILE  45          HG23      ILE  45   9.772  -0.543  -5.922
  351   HD11  ILE  45          HD11      ILE  45  11.018   4.337  -5.834
  352   HD12  ILE  45          HD12      ILE  45  11.581   2.672  -5.698
  353   HD13  ILE  45          HD13      ILE  45  10.975   3.274  -7.240
  354    H    ILE  46           HN       ILE  46  10.350  -0.710  -8.593
  355    HA   ILE  46           HA       ILE  46   8.066  -2.054  -9.683
  356    HB   ILE  46           HB       ILE  46   9.964  -4.002  -9.619
  357   HG12  ILE  46          HG12      ILE  46  11.475  -1.408  -9.985
  358   HG13  ILE  46          HG13      ILE  46  11.546  -2.381  -8.520
  359   HG21  ILE  46          HG21      ILE  46   9.650  -1.798 -11.650
  360   HG22  ILE  46          HG22      ILE  46  10.446  -3.344 -11.941
  361   HG23  ILE  46          HG23      ILE  46   8.723  -3.295 -11.570
  362   HD11  ILE  46          HD11      ILE  46  12.444  -4.251  -9.831
  363   HD12  ILE  46          HD12      ILE  46  12.419  -3.231 -11.270
  364   HD13  ILE  46          HD13      ILE  46  13.464  -2.815  -9.912
  365    HA   PRO  47           HA       PRO  47   6.413  -4.196  -6.193
  366    HB2  PRO  47           HB2      PRO  47   6.348  -6.500  -8.095
  367    HB3  PRO  47           HB3      PRO  47   5.080  -5.871  -7.048
  368    HG2  PRO  47           HG2      PRO  47   5.017  -5.333  -9.623
  369    HG3  PRO  47           HG3      PRO  47   4.636  -4.061  -8.445
  370    HD2  PRO  47           HD2      PRO  47   7.126  -4.495 -10.031
  371    HD3  PRO  47           HD3      PRO  47   6.318  -2.977  -9.593
  372    H    GLU  48           HN       GLU  48   8.557  -6.263  -8.156
  373    HA   GLU  48           HA       GLU  48   9.281  -8.090  -6.218
  374    HB2  GLU  48           HB2      GLU  48  11.294  -8.517  -7.562
  375    HB3  GLU  48           HB3      GLU  48   9.853  -8.380  -8.560
  376    HG2  GLU  48           HG2      GLU  48  10.476  -6.083  -9.131
  377    HG3  GLU  48           HG3      GLU  48  11.931  -6.241  -8.148
  378    H    THR  49           HN       THR  49  10.037  -4.797  -6.270
  379    HA   THR  49           HA       THR  49  12.185  -5.181  -4.293
  380    HB   THR  49           HB       THR  49  12.172  -2.527  -5.412
  381    HG1  THR  49           HG1      THR  49  12.159  -4.714  -7.213
  382   HG21  THR  49          HG21      THR  49  14.143  -4.803  -5.436
  383   HG22  THR  49          HG22      THR  49  14.067  -3.477  -4.277
  384   HG23  THR  49          HG23      THR  49  14.513  -3.158  -5.953
  385    H    GLN  50           HN       GLN  50   9.095  -3.886  -4.969
  386    HA   GLN  50           HA       GLN  50   9.025  -1.775  -3.094
  387    HB2  GLN  50           HB2      GLN  50   7.279  -3.067  -4.984
  388    HB3  GLN  50           HB3      GLN  50   6.433  -2.751  -3.485
  389    HG2  GLN  50           HG2      GLN  50   7.314  -0.374  -3.672
  390    HG3  GLN  50           HG3      GLN  50   7.761  -0.804  -5.323
  391   HE21  GLN  50          HE21      GLN  50   6.173  -1.135  -6.850
  392   HE22  GLN  50          HE22      GLN  50   4.527  -0.676  -6.597
  393    H    ILE  51           HN       ILE  51   9.351  -2.151  -0.975
  394    HA   ILE  51           HA       ILE  51   7.989  -4.420   0.291
  395    HB   ILE  51           HB       ILE  51  10.082  -2.641   1.536
  396   HG12  ILE  51          HG12      ILE  51  10.344  -5.088  -0.165
  397   HG13  ILE  51          HG13      ILE  51  11.319  -3.626  -0.161
  398   HG21  ILE  51          HG21      ILE  51   9.128  -5.391   2.321
  399   HG22  ILE  51          HG22      ILE  51  10.254  -4.364   3.208
  400   HG23  ILE  51          HG23      ILE  51   8.564  -3.888   3.048
  401   HD11  ILE  51          HD11      ILE  51  12.281  -4.325   2.011
  402   HD12  ILE  51          HD12      ILE  51  11.390  -5.842   1.876
  403   HD13  ILE  51          HD13      ILE  51  12.633  -5.438   0.690
  404    H    VAL  52           HN       VAL  52   5.928  -3.680   0.721
  405    HA   VAL  52           HA       VAL  52   5.648  -1.114   2.063
  406    HB   VAL  52           HB       VAL  52   3.641  -2.987   0.808
  407   HG11  VAL  52          HG11      VAL  52   3.139  -0.423   2.295
  408   HG12  VAL  52          HG12      VAL  52   1.939  -1.334   1.379
  409   HG13  VAL  52          HG13      VAL  52   2.680  -2.043   2.812
  410   HG21  VAL  52          HG21      VAL  52   4.494  -0.171   0.143
  411   HG22  VAL  52          HG22      VAL  52   4.913  -1.627  -0.759
  412   HG23  VAL  52          HG23      VAL  52   3.236  -1.085  -0.690
  413    H    THR  53           HN       THR  53   4.477  -0.983   4.058
  414    HA   THR  53           HA       THR  53   4.189  -3.494   5.535
  415    HB   THR  53           HB       THR  53   5.239  -1.595   7.366
  416    HG1  THR  53           HG1      THR  53   6.688  -1.819   4.934
  417   HG21  THR  53          HG21      THR  53   5.561  -3.829   7.887
  418   HG22  THR  53          HG22      THR  53   7.169  -3.338   7.351
  419   HG23  THR  53          HG23      THR  53   6.112  -4.236   6.260
  420    H    LEU  54           HN       LEU  54   2.344  -3.598   6.459
  421    HA   LEU  54           HA       LEU  54   0.734  -1.231   6.876
  422    HB2  LEU  54           HB2      LEU  54   0.300  -4.059   6.511
  423    HB3  LEU  54           HB3      LEU  54  -0.547  -3.499   7.935
  424    HG   LEU  54           HG       LEU  54  -1.964  -3.457   5.967
  425   HD11  LEU  54          HD11      LEU  54  -2.466  -1.870   7.690
  426   HD12  LEU  54          HD12      LEU  54  -1.246  -0.753   7.074
  427   HD13  LEU  54          HD13      LEU  54  -2.696  -1.088   6.126
  428   HD21  LEU  54          HD21      LEU  54  -1.496  -1.655   4.263
  429   HD22  LEU  54          HD22      LEU  54   0.148  -1.632   4.897
  430   HD23  LEU  54          HD23      LEU  54  -0.500  -3.107   4.180
  431    H    ASN  55           HN       ASN  55  -0.704  -2.080   9.161
  432    HA   ASN  55           HA       ASN  55   0.893  -1.025  11.204
  433    HB2  ASN  55           HB2      ASN  55  -1.517  -2.809  11.589
  434    HB3  ASN  55           HB3      ASN  55  -0.918  -1.568  12.689
  435   HD21  ASN  55          HD21      ASN  55  -2.409  -2.143   9.575
  436   HD22  ASN  55          HD22      ASN  55  -3.109  -0.576   9.394
  437    H    GLY  56           HN       GLY  56   2.812  -2.038  11.524
  438    HA2  GLY  56           HA1      GLY  56   4.303  -3.583  12.310
  439    HA3  GLY  56           HA2      GLY  56   2.962  -4.239  13.235
  440    H    LYS  57           HN       LYS  57   2.372  -4.267   9.882
  441    HA   LYS  57           HA       LYS  57   3.189  -7.098   9.750
  442    HB2  LYS  57           HB2      LYS  57   0.681  -5.746   8.939
  443    HB3  LYS  57           HB3      LYS  57   1.259  -7.043   7.911
  444    HG2  LYS  57           HG2      LYS  57  -0.391  -7.688   9.695
  445    HG3  LYS  57           HG3      LYS  57   1.098  -8.629   9.641
  446    HD2  LYS  57           HD2      LYS  57   1.801  -7.863  11.638
  447    HD3  LYS  57           HD3      LYS  57   1.138  -6.253  11.378
  448    HE2  LYS  57           HE2      LYS  57  -1.076  -7.042  11.880
  449    HE3  LYS  57           HE3      LYS  57  -0.492  -8.697  12.047
  450    HZ1  LYS  57           HZ1      LYS  57   0.826  -8.008  13.944
  451    HZ2  LYS  57           HZ2      LYS  57  -0.800  -7.619  14.196
  452    HZ3  LYS  57           HZ3      LYS  57   0.302  -6.410  13.770
  453    H    ARG  58           HN       ARG  58   3.783  -7.922   7.689
  454    HA   ARG  58           HA       ARG  58   4.947  -5.881   5.935
  455    HB2  ARG  58           HB2      ARG  58   5.593  -8.809   6.277
  456    HB3  ARG  58           HB3      ARG  58   6.323  -7.785   5.052
  457    HG2  ARG  58           HG2      ARG  58   6.652  -6.436   7.475
  458    HG3  ARG  58           HG3      ARG  58   7.031  -8.126   7.804
  459    HD2  ARG  58           HD2      ARG  58   8.148  -6.677   5.428
  460    HD3  ARG  58           HD3      ARG  58   8.939  -6.623   7.004
  461    HE   ARG  58           HE       ARG  58   8.452  -9.300   6.337
  462   HH11  ARG  58          HH11      ARG  58  11.698  -7.623   4.699
  463   HH12  ARG  58          HH12      ARG  58  10.420  -6.619   5.295
  464   HH21  ARG  58          HH21      ARG  58  11.532  -9.902   4.843
  465   HH22  ARG  58          HH22      ARG  58  10.129 -10.628   5.552
  466    H    LEU  59           HN       LEU  59   4.519  -5.852   3.760
  467    HA   LEU  59           HA       LEU  59   2.057  -7.158   2.980
  468    HB2  LEU  59           HB2      LEU  59   3.751  -4.986   1.811
  469    HB3  LEU  59           HB3      LEU  59   2.538  -5.769   0.827
  470    HG   LEU  59           HG       LEU  59   1.855  -3.630   1.918
  471   HD11  LEU  59          HD11      LEU  59  -0.352  -4.569   2.744
  472   HD12  LEU  59          HD12      LEU  59   0.118  -4.970   1.091
  473   HD13  LEU  59          HD13      LEU  59   0.318  -6.159   2.377
  474   HD21  LEU  59          HD21      LEU  59   1.306  -3.599   4.244
  475   HD22  LEU  59          HD22      LEU  59   1.740  -5.299   4.411
  476   HD23  LEU  59          HD23      LEU  59   2.987  -4.099   4.080
  477    H    GLU  60           HN       GLU  60   2.040  -9.071   2.120
  478    HA   GLU  60           HA       GLU  60   4.375  -9.993   0.587
  479    HB2  GLU  60           HB2      GLU  60   2.277 -11.477   2.159
  480    HB3  GLU  60           HB3      GLU  60   3.365 -12.288   1.047
  481    HG2  GLU  60           HG2      GLU  60   4.217 -10.656   3.427
  482    HG3  GLU  60           HG3      GLU  60   4.115 -12.415   3.379
  483    H    ASP  61           HN       ASP  61   4.098 -11.044  -1.385
  484    HA   ASP  61           HA       ASP  61   2.039 -10.070  -3.041
  485    HB2  ASP  61           HB2      ASP  61   3.889 -12.416  -3.529
  486    HB3  ASP  61           HB3      ASP  61   2.969 -11.549  -4.756
  487    H    GLY  62           HN       GLY  62   0.125 -10.911  -3.690
  488    HA2  GLY  62           HA1      GLY  62  -1.431 -12.657  -4.082
  489    HA3  GLY  62           HA2      GLY  62  -0.535 -13.673  -2.964
  490    H    LYS  63           HN       LYS  63  -0.445 -11.356  -1.026
  491    HA   LYS  63           HA       LYS  63  -2.899 -12.016   0.334
  492    HB2  LYS  63           HB2      LYS  63  -0.349 -11.208   1.128
  493    HB3  LYS  63           HB3      LYS  63  -1.385  -9.842   1.522
  494    HG2  LYS  63           HG2      LYS  63  -1.541 -11.040   3.450
  495    HG3  LYS  63           HG3      LYS  63  -2.907 -11.716   2.563
  496    HD2  LYS  63           HD2      LYS  63  -1.808 -13.600   3.372
  497    HD3  LYS  63           HD3      LYS  63  -1.199 -13.446   1.724
  498    HE2  LYS  63           HE2      LYS  63   0.776 -12.263   2.593
  499    HE3  LYS  63           HE3      LYS  63   0.186 -12.529   4.233
  500    HZ1  LYS  63           HZ1      LYS  63   0.320 -14.918   3.843
  501    HZ2  LYS  63           HZ2      LYS  63   1.827 -14.181   3.630
  502    HZ3  LYS  63           HZ3      LYS  63   0.918 -14.648   2.283
  503    H    MET  64           HN       MET  64  -4.557 -10.591   0.896
  504    HA   MET  64           HA       MET  64  -4.788  -8.260  -0.853
  505    HB2  MET  64           HB2      MET  64  -7.125  -8.789   0.735
  506    HB3  MET  64           HB3      MET  64  -6.949  -8.785  -1.006
  507    HG2  MET  64           HG2      MET  64  -6.158 -11.106  -0.917
  508    HG3  MET  64           HG3      MET  64  -6.396 -11.097   0.828
  509    HE1  MET  64           HE1      MET  64  -9.347 -13.375  -0.144
  510    HE2  MET  64           HE2      MET  64  -7.635 -13.392  -0.563
  511    HE3  MET  64           HE3      MET  64  -8.135 -13.040   1.092
  512    H    MET  65           HN       MET  65  -5.462  -6.240  -0.039
  513    HA   MET  65           HA       MET  65  -4.241  -5.382   2.319
  514    HB2  MET  65           HB2      MET  65  -6.747  -4.024   1.395
  515    HB3  MET  65           HB3      MET  65  -5.270  -3.313   2.026
  516    HG2  MET  65           HG2      MET  65  -4.250  -4.289  -0.186
  517    HG3  MET  65           HG3      MET  65  -5.931  -4.209  -0.717
  518    HE1  MET  65           HE1      MET  65  -7.371  -1.686  -0.407
  519    HE2  MET  65           HE2      MET  65  -6.759  -1.769   1.242
  520    HE3  MET  65           HE3      MET  65  -6.527  -0.306   0.290
  521    H    ALA  66           HN       ALA  66  -7.535  -6.443   1.721
  522    HA   ALA  66           HA       ALA  66  -8.682  -5.900   4.195
  523    HB1  ALA  66           HB1      ALA  66  -9.301  -8.228   2.378
  524    HB2  ALA  66           HB2      ALA  66 -10.358  -7.555   3.619
  525    HB3  ALA  66           HB3      ALA  66  -9.945  -6.595   2.200
  526    H    ASP  67           HN       ASP  67  -6.653  -8.578   3.157
  527    HA   ASP  67           HA       ASP  67  -7.090 -10.296   5.334
  528    HB2  ASP  67           HB2      ASP  67  -5.918 -10.989   3.285
  529    HB3  ASP  67           HB3      ASP  67  -4.567  -9.938   3.701
  530    H    TYR  68           HN       TYR  68  -5.298  -7.349   5.088
  531    HA   TYR  68           HA       TYR  68  -3.787  -7.839   7.525
  532    HB2  TYR  68           HB2      TYR  68  -3.934  -5.441   5.693
  533    HB3  TYR  68           HB3      TYR  68  -2.855  -5.573   7.083
  534    HD1  TYR  68           HD1      TYR  68  -3.555  -6.812   3.697
  535    HD2  TYR  68           HD2      TYR  68  -0.909  -6.987   7.020
  536    HE1  TYR  68           HE1      TYR  68  -1.866  -7.904   2.283
  537    HE2  TYR  68           HE2      TYR  68   0.790  -8.080   5.624
  538    HH   TYR  68           HH       TYR  68   0.606  -8.187   2.257
  539    H    GLY  69           HN       GLY  69  -6.881  -7.237   7.132
  540    HA2  GLY  69           HA1      GLY  69  -8.520  -6.165   8.338
  541    HA3  GLY  69           HA2      GLY  69  -7.384  -6.274   9.678
  542    H    ILE  70           HN       ILE  70  -7.062  -4.464   6.651
  543    HA   ILE  70           HA       ILE  70  -6.161  -2.119   7.933
  544    HB   ILE  70           HB       ILE  70  -6.216  -1.089   5.804
  545   HG12  ILE  70          HG12      ILE  70  -7.762  -3.438   4.795
  546   HG13  ILE  70          HG13      ILE  70  -8.509  -1.910   5.249
  547   HG21  ILE  70          HG21      ILE  70  -4.421  -2.651   6.117
  548   HG22  ILE  70          HG22      ILE  70  -5.457  -3.992   5.631
  549   HG23  ILE  70          HG23      ILE  70  -4.993  -2.766   4.452
  550   HD11  ILE  70          HD11      ILE  70  -7.012  -0.804   3.640
  551   HD12  ILE  70          HD12      ILE  70  -6.519  -2.403   3.090
  552   HD13  ILE  70          HD13      ILE  70  -8.201  -1.894   2.916
  553    H    ARG  71           HN       ARG  71  -7.253   0.046   7.198
  554    HA   ARG  71           HA       ARG  71 -10.144  -0.074   7.714
  555    HB2  ARG  71           HB2      ARG  71  -9.955   1.854   9.192
  556    HB3  ARG  71           HB3      ARG  71  -8.961   0.532   9.789
  557    HG2  ARG  71           HG2      ARG  71  -6.984   1.611   8.823
  558    HG3  ARG  71           HG3      ARG  71  -7.995   2.949   8.276
  559    HD2  ARG  71           HD2      ARG  71  -6.904   3.571  10.331
  560    HD3  ARG  71           HD3      ARG  71  -8.630   3.376  10.628
  561    HE   ARG  71           HE       ARG  71  -7.528   0.943  11.233
  562   HH11  ARG  71          HH11      ARG  71  -6.566   3.767  13.904
  563   HH12  ARG  71          HH12      ARG  71  -7.060   4.225  12.308
  564   HH21  ARG  71          HH21      ARG  71  -6.465   1.554  14.484
  565   HH22  ARG  71          HH22      ARG  71  -6.878   0.332  13.327
  566    H    LYS  72           HN       LYS  72 -11.311   1.850   6.983
  567    HA   LYS  72           HA       LYS  72 -10.725   2.632   4.397
  568    HB2  LYS  72           HB2      LYS  72 -12.138   4.632   6.073
  569    HB3  LYS  72           HB3      LYS  72 -12.583   3.955   4.513
  570    HG2  LYS  72           HG2      LYS  72 -12.889   2.617   7.192
  571    HG3  LYS  72           HG3      LYS  72 -14.179   3.299   6.199
  572    HD2  LYS  72           HD2      LYS  72 -13.415   1.677   4.394
  573    HD3  LYS  72           HD3      LYS  72 -12.481   0.878   5.658
  574    HE2  LYS  72           HE2      LYS  72 -15.460   1.301   5.599
  575    HE3  LYS  72           HE3      LYS  72 -14.612  -0.229   5.390
  576    HZ1  LYS  72           HZ1      LYS  72 -15.478  -0.021   7.626
  577    HZ2  LYS  72           HZ2      LYS  72 -14.634   1.427   7.857
  578    HZ3  LYS  72           HZ3      LYS  72 -13.786  -0.023   7.662
  579    H    GLY  73           HN       GLY  73  -8.890   3.639   3.750
  580    HA2  GLY  73           HA1      GLY  73  -7.339   5.353   3.594
  581    HA3  GLY  73           HA2      GLY  73  -8.189   6.188   4.889
  582    H    ASN  74           HN       ASN  74  -6.654   2.982   4.744
  583    HA   ASN  74           HA       ASN  74  -5.487   3.358   7.332
  584    HB2  ASN  74           HB2      ASN  74  -6.317   1.165   6.127
  585    HB3  ASN  74           HB3      ASN  74  -4.670   1.133   5.506
  586   HD21  ASN  74          HD21      ASN  74  -5.157   2.556   8.594
  587   HD22  ASN  74          HD22      ASN  74  -4.555   1.244   9.538
  588    H    LEU  75           HN       LEU  75  -3.175   2.956   7.725
  589    HA   LEU  75           HA       LEU  75  -1.574   4.595   5.923
  590    HB2  LEU  75           HB2      LEU  75  -0.924   3.532   8.671
  591    HB3  LEU  75           HB3      LEU  75   0.045   4.673   7.759
  592    HG   LEU  75           HG       LEU  75  -2.730   5.181   8.836
  593   HD11  LEU  75          HD11      LEU  75  -1.545   6.810  10.281
  594   HD12  LEU  75          HD12      LEU  75  -1.115   5.130  10.610
  595   HD13  LEU  75          HD13      LEU  75  -0.014   6.158   9.693
  596   HD21  LEU  75          HD21      LEU  75  -2.331   7.501   8.120
  597   HD22  LEU  75          HD22      LEU  75  -0.831   6.989   7.345
  598   HD23  LEU  75          HD23      LEU  75  -2.379   6.382   6.758
  599    H    LEU  76           HN       LEU  76   0.003   3.842   4.673
  600    HA   LEU  76           HA       LEU  76   1.073   1.152   5.156
  601    HB2  LEU  76           HB2      LEU  76   0.582   2.128   2.366
  602    HB3  LEU  76           HB3      LEU  76   0.883   0.492   2.915
  603    HG   LEU  76           HG       LEU  76  -1.419   0.733   4.110
  604   HD11  LEU  76          HD11      LEU  76  -2.941   2.273   3.202
  605   HD12  LEU  76          HD12      LEU  76  -1.490   3.205   3.558
  606   HD13  LEU  76          HD13      LEU  76  -1.840   2.719   1.900
  607   HD21  LEU  76          HD21      LEU  76  -0.926  -0.792   2.253
  608   HD22  LEU  76          HD22      LEU  76  -2.541  -0.097   2.120
  609   HD23  LEU  76          HD23      LEU  76  -1.233   0.514   1.108
  610    H    PHE  77           HN       PHE  77   3.170   1.394   5.516
  611    HA   PHE  77           HA       PHE  77   4.592   3.709   4.526
  612    HB2  PHE  77           HB2      PHE  77   5.417   1.374   6.258
  613    HB3  PHE  77           HB3      PHE  77   6.534   2.643   5.767
  614    HD1  PHE  77           HD1      PHE  77   6.735   4.563   7.044
  615    HD2  PHE  77           HD2      PHE  77   3.277   2.122   7.488
  616    HE1  PHE  77           HE1      PHE  77   6.013   5.939   8.951
  617    HE2  PHE  77           HE2      PHE  77   2.548   3.494   9.395
  618    HZ   PHE  77           HZ       PHE  77   3.917   5.406  10.130
  619    H    LEU  78           HN       LEU  78   5.822   3.798   2.752
  620    HA   LEU  78           HA       LEU  78   6.184   1.360   1.193
  621    HB2  LEU  78           HB2      LEU  78   5.257   3.373   0.096
  622    HB3  LEU  78           HB3      LEU  78   6.746   4.231   0.445
  623    HG   LEU  78           HG       LEU  78   7.984   2.639  -0.986
  624   HD11  LEU  78          HD11      LEU  78   6.569   0.695  -0.771
  625   HD12  LEU  78          HD12      LEU  78   5.240   1.537  -1.568
  626   HD13  LEU  78          HD13      LEU  78   6.703   1.146  -2.471
  627   HD21  LEU  78          HD21      LEU  78   7.162   4.746  -1.911
  628   HD22  LEU  78          HD22      LEU  78   7.138   3.463  -3.122
  629   HD23  LEU  78          HD23      LEU  78   5.640   3.968  -2.341
  630    H    ALA  79           HN       ALA  79   8.104   0.490   0.651
  631    HA   ALA  79           HA       ALA  79  10.598   1.826   1.315
  632    HB1  ALA  79           HB1      ALA  79   9.936  -0.870   2.501
  633    HB2  ALA  79           HB2      ALA  79  11.444   0.024   2.690
  634    HB3  ALA  79           HB3      ALA  79   9.954   0.650   3.395
  635    H    SER  80           HN       SER  80  12.495   0.319   0.638
  636    HA   SER  80           HA       SER  80  11.778  -1.555  -1.464
  637    HB2  SER  80           HB2      SER  80  11.784   0.545  -2.684
  638    HB3  SER  80           HB3      SER  80  13.373   0.950  -2.038
  639    HG   SER  80           HG       SER  80  13.155  -1.481  -3.357
  640    H    TYR  81           HN       TYR  81  13.433  -2.957  -2.070
  641    HA   TYR  81           HA       TYR  81  15.267  -3.692  -0.111
  642    HB2  TYR  81           HB2      TYR  81  15.053  -4.310  -3.046
  643    HB3  TYR  81           HB3      TYR  81  16.389  -4.939  -2.094
  644    HD1  TYR  81           HD1      TYR  81  12.700  -4.931  -2.408
  645    HD2  TYR  81           HD2      TYR  81  16.105  -6.831  -0.710
  646    HE1  TYR  81           HE1      TYR  81  11.282  -6.801  -1.674
  647    HE2  TYR  81           HE2      TYR  81  14.697  -8.707   0.030
  648    HH   TYR  81           HH       TYR  81  12.347  -9.162   0.531
  649    H    SER  82           HN       SER  82  17.012  -2.640   0.577
  650    HA   SER  82           HA       SER  82  18.769  -1.372  -1.399
  651    HB2  SER  82           HB2      SER  82  19.056   0.598   0.068
  652    HB3  SER  82           HB3      SER  82  17.393   0.434  -0.495
  653    HG   SER  82           HG       SER  82  17.444  -0.905   1.711
  654    H    ILE  83           HN       ILE  83  20.883  -0.675  -0.300
  655    HA   ILE  83           HA       ILE  83  22.088  -2.962   0.830
  656    HB   ILE  83           HB       ILE  83  23.144  -0.131   0.818
  657   HG12  ILE  83          HG12      ILE  83  22.544  -0.895  -1.442
  658   HG13  ILE  83          HG13      ILE  83  24.288  -0.747  -1.259
  659   HG21  ILE  83          HG21      ILE  83  24.371  -1.528   2.351
  660   HG22  ILE  83          HG22      ILE  83  24.548  -2.780   1.122
  661   HG23  ILE  83          HG23      ILE  83  25.355  -1.225   0.920
  662   HD11  ILE  83          HD11      ILE  83  23.693  -2.739  -2.509
  663   HD12  ILE  83          HD12      ILE  83  24.463  -3.163  -0.980
  664   HD13  ILE  83          HD13      ILE  83  22.714  -3.311  -1.157
  665    H    GLY  84           HN       GLY  84  21.050   0.122   2.239
  666    HA2  GLY  84           HA1      GLY  84  21.437  -1.079   4.912
  667    HA3  GLY  84           HA2      GLY  84  21.675   0.630   4.581
  668    H    GLY  85           HN       GLY  85  19.830  -0.906   6.417
  669    HA2  GLY  85           HA1      GLY  85  17.801  -0.138   7.319
  670    HA3  GLY  85           HA2      GLY  85  17.466   0.690   5.807
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1 -22.477   4.474  -5.210
    2    H2   GLY   1           H2       GLY   1 -21.521   5.851  -5.431
    3    H3   GLY   1           H3       GLY   1 -21.822   4.813  -6.732
    4    HA2  GLY   1           HA2      GLY   1 -23.170   6.807  -6.910
    5    HA3  GLY   1           HA1      GLY   1 -24.159   5.370  -6.706
    6    H    ALA   2           HN       ALA   2 -25.198   5.001  -4.710
    7    HA   ALA   2           HA       ALA   2 -25.118   7.187  -2.762
    8    HB1  ALA   2           HB1      ALA   2 -27.679   6.139  -3.964
    9    HB2  ALA   2           HB2      ALA   2 -27.540   7.362  -2.700
   10    HB3  ALA   2           HB3      ALA   2 -26.944   7.702  -4.325
   11    H    MET   3           HN       MET   3 -25.218   3.910  -3.465
   12    HA   MET   3           HA       MET   3 -26.339   3.148  -0.877
   13    HB2  MET   3           HB2      MET   3 -26.156   0.833  -1.732
   14    HB3  MET   3           HB3      MET   3 -27.116   1.869  -2.779
   15    HG2  MET   3           HG2      MET   3 -25.135   2.153  -4.236
   16    HG3  MET   3           HG3      MET   3 -24.269   1.002  -3.220
   17    HE1  MET   3           HE1      MET   3 -26.483  -1.116  -2.494
   18    HE2  MET   3           HE2      MET   3 -26.291  -2.294  -3.792
   19    HE3  MET   3           HE3      MET   3 -24.869  -1.572  -3.039
   20    H    GLY   4           HN       GLY   4 -23.357   3.878  -2.235
   21    HA2  GLY   4           HA1      GLY   4 -21.531   3.992  -0.563
   22    HA3  GLY   4           HA2      GLY   4 -21.967   2.349  -0.120
   23    H    ASP   5           HN       ASP   5 -19.434   2.584  -0.629
   24    HA   ASP   5           HA       ASP   5 -19.108   1.422  -3.307
   25    HB2  ASP   5           HB2      ASP   5 -16.919   2.585  -3.507
   26    HB3  ASP   5           HB3      ASP   5 -18.286   3.696  -3.469
   27    H    GLU   6           HN       GLU   6 -16.964   0.248  -3.492
   28    HA   GLU   6           HA       GLU   6 -16.548  -1.287  -1.025
   29    HB2  GLU   6           HB2      GLU   6 -15.947  -1.957  -3.910
   30    HB3  GLU   6           HB3      GLU   6 -15.530  -2.990  -2.548
   31    HG2  GLU   6           HG2      GLU   6 -18.322  -2.141  -3.284
   32    HG3  GLU   6           HG3      GLU   6 -17.588  -3.690  -3.691
   33    H    GLU   7           HN       GLU   7 -14.827   0.494  -3.535
   34    HA   GLU   7           HA       GLU   7 -12.205  -0.109  -2.769
   35    HB2  GLU   7           HB2      GLU   7 -13.184   2.505  -3.923
   36    HB3  GLU   7           HB3      GLU   7 -11.548   1.869  -4.003
   37    HG2  GLU   7           HG2      GLU   7 -12.365  -0.005  -5.366
   38    HG3  GLU   7           HG3      GLU   7 -13.984   0.692  -5.324
   39    H    LEU   8           HN       LEU   8 -10.849   0.658  -1.231
   40    HA   LEU   8           HA       LEU   8 -11.939   2.683   0.609
   41    HB2  LEU   8           HB2      LEU   8  -9.989   0.478   1.275
   42    HB3  LEU   8           HB3      LEU   8 -10.685   1.625   2.401
   43    HG   LEU   8           HG       LEU   8 -12.095  -0.624   0.973
   44   HD11  LEU   8          HD11      LEU   8 -12.561  -1.392   3.240
   45   HD12  LEU   8          HD12      LEU   8 -10.827  -1.248   2.959
   46   HD13  LEU   8          HD13      LEU   8 -11.672  -0.016   3.894
   47   HD21  LEU   8          HD21      LEU   8 -13.254   1.633   2.598
   48   HD22  LEU   8          HD22      LEU   8 -13.613   1.222   0.921
   49   HD23  LEU   8          HD23      LEU   8 -14.117   0.142   2.221
   50    HA   PRO   9           HA       PRO   9  -8.461   5.210  -0.443
   51    HB2  PRO   9           HB2      PRO   9  -8.637   6.431   2.217
   52    HB3  PRO   9           HB3      PRO   9  -8.947   7.150   0.635
   53    HG2  PRO   9           HG2      PRO   9 -10.930   6.644   2.387
   54    HG3  PRO   9           HG3      PRO   9 -11.165   6.522   0.633
   55    HD2  PRO   9           HD2      PRO   9 -10.703   4.343   2.639
   56    HD3  PRO   9           HD3      PRO   9 -11.835   4.388   1.272
   57    H    LEU  10           HN       LEU  10  -6.282   5.842   0.353
   58    HA   LEU  10           HA       LEU  10  -5.241   4.318   2.588
   59    HB2  LEU  10           HB2      LEU  10  -4.341   3.867  -0.253
   60    HB3  LEU  10           HB3      LEU  10  -3.385   3.415   1.143
   61    HG   LEU  10           HG       LEU  10  -6.173   2.402   0.721
   62   HD11  LEU  10          HD11      LEU  10  -4.522   1.876  -1.171
   63   HD12  LEU  10          HD12      LEU  10  -3.706   0.857   0.013
   64   HD13  LEU  10          HD13      LEU  10  -5.382   0.532  -0.427
   65   HD21  LEU  10          HD21      LEU  10  -3.867   1.494   2.425
   66   HD22  LEU  10          HD22      LEU  10  -5.397   2.175   2.972
   67   HD23  LEU  10          HD23      LEU  10  -5.362   0.587   2.207
   68    H    PHE  11           HN       PHE  11  -2.937   4.789   2.952
   69    HA   PHE  11           HA       PHE  11  -2.243   7.514   2.072
   70    HB2  PHE  11           HB2      PHE  11  -2.235   6.344   4.846
   71    HB3  PHE  11           HB3      PHE  11  -1.299   7.779   4.443
   72    HD1  PHE  11           HD1      PHE  11  -4.502   6.481   5.354
   73    HD2  PHE  11           HD2      PHE  11  -2.539   9.799   3.565
   74    HE1  PHE  11           HE1      PHE  11  -6.499   7.864   5.747
   75    HE2  PHE  11           HE2      PHE  11  -4.528  11.193   3.955
   76    HZ   PHE  11           HZ       PHE  11  -6.508  10.222   5.078
   77    H    LEU  12           HN       LEU  12  -0.445   7.319   0.875
   78    HA   LEU  12           HA       LEU  12   1.492   5.245   1.479
   79    HB2  LEU  12           HB2      LEU  12   0.626   6.030  -0.850
   80    HB3  LEU  12           HB3      LEU  12   1.791   7.324  -0.658
   81    HG   LEU  12           HG       LEU  12   2.622   5.443  -2.014
   82   HD11  LEU  12          HD11      LEU  12   4.172   6.906  -0.792
   83   HD12  LEU  12          HD12      LEU  12   4.117   5.796   0.576
   84   HD13  LEU  12          HD13      LEU  12   4.792   5.265  -0.963
   85   HD21  LEU  12          HD21      LEU  12   3.193   3.328  -0.956
   86   HD22  LEU  12          HD22      LEU  12   2.480   3.881   0.559
   87   HD23  LEU  12          HD23      LEU  12   1.458   3.630  -0.857
   88    H    VAL  13           HN       VAL  13   3.076   5.607   2.896
   89    HA   VAL  13           HA       VAL  13   4.145   8.340   3.141
   90    HB   VAL  13           HB       VAL  13   4.277   6.259   5.314
   91   HG11  VAL  13          HG11      VAL  13   4.617   8.232   6.740
   92   HG12  VAL  13          HG12      VAL  13   5.850   8.087   5.488
   93   HG13  VAL  13          HG13      VAL  13   4.546   9.260   5.308
   94   HG21  VAL  13          HG21      VAL  13   1.921   6.624   4.818
   95   HG22  VAL  13          HG22      VAL  13   2.349   7.350   6.368
   96   HG23  VAL  13          HG23      VAL  13   2.151   8.369   4.941
   97    H    GLU  14           HN       GLU  14   6.023   8.402   2.087
   98    HA   GLU  14           HA       GLU  14   7.639   6.165   1.527
   99    HB2  GLU  14           HB2      GLU  14   7.833   9.102   1.186
  100    HB3  GLU  14           HB3      GLU  14   9.337   8.201   1.130
  101    HG2  GLU  14           HG2      GLU  14   6.965   7.433  -0.525
  102    HG3  GLU  14           HG3      GLU  14   8.140   8.629  -1.064
  103    H    SER  15           HN       SER  15   9.106   5.146   2.703
  104    HA   SER  15           HA       SER  15   9.635   5.840   5.392
  105    HB2  SER  15           HB2      SER  15   9.688   3.516   4.634
  106    HB3  SER  15           HB3      SER  15  11.058   3.875   3.582
  107    HG   SER  15           HG       SER  15  12.356   4.069   5.311
  108    H    GLY  16           HN       GLY  16  11.415   6.322   2.397
  109    HA2  GLY  16           HA1      GLY  16  13.836   7.162   3.612
  110    HA3  GLY  16           HA2      GLY  16  13.359   7.470   1.948
  111    H    ASP  17           HN       ASP  17  10.968   8.897   2.511
  112    HA   ASP  17           HA       ASP  17  11.829  11.205   4.080
  113    HB2  ASP  17           HB2      ASP  17  10.967  11.397   1.185
  114    HB3  ASP  17           HB3      ASP  17  11.264  12.765   2.254
  115    H    GLU  18           HN       GLU  18  10.228  11.464   5.484
  116    HA   GLU  18           HA       GLU  18   7.605  10.513   5.126
  117    HB2  GLU  18           HB2      GLU  18   7.077  11.884   7.151
  118    HB3  GLU  18           HB3      GLU  18   8.437  10.789   7.348
  119    HG2  GLU  18           HG2      GLU  18   9.116  12.772   8.364
  120    HG3  GLU  18           HG3      GLU  18   9.915  12.776   6.793
  121    H    ALA  19           HN       ALA  19   9.126  13.271   3.905
  122    HA   ALA  19           HA       ALA  19   6.964  15.095   3.854
  123    HB1  ALA  19           HB1      ALA  19   8.255  16.282   2.151
  124    HB2  ALA  19           HB2      ALA  19   9.272  15.803   3.509
  125    HB3  ALA  19           HB3      ALA  19   9.333  14.895   1.999
  126    H    LYS  20           HN       LYS  20   7.925  12.450   1.770
  127    HA   LYS  20           HA       LYS  20   6.148  13.123  -0.358
  128    HB2  LYS  20           HB2      LYS  20   7.212  10.360   0.112
  129    HB3  LYS  20           HB3      LYS  20   6.900  11.176  -1.411
  130    HG2  LYS  20           HG2      LYS  20   9.145  11.770   0.505
  131    HG3  LYS  20           HG3      LYS  20   9.276  10.949  -1.050
  132    HD2  LYS  20           HD2      LYS  20   8.517  12.982  -2.182
  133    HD3  LYS  20           HD3      LYS  20   8.383  13.801  -0.626
  134    HE2  LYS  20           HE2      LYS  20  10.768  13.546  -0.260
  135    HE3  LYS  20           HE3      LYS  20  10.925  12.653  -1.772
  136    HZ1  LYS  20           HZ1      LYS  20  10.020  15.473  -1.551
  137    HZ2  LYS  20           HZ2      LYS  20  10.275  14.614  -2.986
  138    HZ3  LYS  20           HZ3      LYS  20  11.584  14.989  -1.981
  139    H    ARG  21           HN       ARG  21   4.028  13.192   0.108
  140    HA   ARG  21           HA       ARG  21   2.831  10.794   1.319
  141    HB2  ARG  21           HB2      ARG  21   2.651  13.583   2.155
  142    HB3  ARG  21           HB3      ARG  21   1.073  12.849   1.900
  143    HG2  ARG  21           HG2      ARG  21   3.190  11.549   3.566
  144    HG3  ARG  21           HG3      ARG  21   2.006  12.685   4.225
  145    HD2  ARG  21           HD2      ARG  21   1.239  10.267   2.618
  146    HD3  ARG  21           HD3      ARG  21   1.403  10.236   4.374
  147    HE   ARG  21           HE       ARG  21  -0.433  11.749   4.538
  148   HH11  ARG  21          HH11      ARG  21  -1.423  10.957   0.743
  149   HH12  ARG  21          HH12      ARG  21   0.141  10.509   1.337
  150   HH21  ARG  21          HH21      ARG  21  -2.918  12.001   2.122
  151   HH22  ARG  21          HH22      ARG  21  -2.492  12.347   3.765
  152    H    HIS  22           HN       HIS  22   1.295   9.842   0.162
  153    HA   HIS  22           HA       HIS  22  -0.204  11.395  -1.822
  154    HB2  HIS  22           HB2      HIS  22   0.572   8.807  -2.903
  155    HB3  HIS  22           HB3      HIS  22   0.711  10.410  -3.624
  156    HD2  HIS  22           HD2      HIS  22   2.953   7.679  -2.391
  157    HE1  HIS  22           HE1      HIS  22   5.171  11.249  -1.985
  158    H    LEU  23           HN       LEU  23  -2.281  11.042  -1.426
  159    HA   LEU  23           HA       LEU  23  -3.171   8.595  -0.116
  160    HB2  LEU  23           HB2      LEU  23  -3.969  10.989   0.409
  161    HB3  LEU  23           HB3      LEU  23  -4.915  10.859  -1.059
  162    HG   LEU  23           HG       LEU  23  -5.179   8.997   1.307
  163   HD11  LEU  23          HD11      LEU  23  -6.910  11.315   0.467
  164   HD12  LEU  23          HD12      LEU  23  -7.256  10.183   1.775
  165   HD13  LEU  23          HD13      LEU  23  -5.865  11.262   1.888
  166   HD21  LEU  23          HD21      LEU  23  -7.329   8.407   0.182
  167   HD22  LEU  23          HD22      LEU  23  -6.784   9.323  -1.223
  168   HD23  LEU  23          HD23      LEU  23  -5.887   7.899  -0.696
  169    H    LEU  24           HN       LEU  24  -3.854   6.890  -1.206
  170    HA   LEU  24           HA       LEU  24  -5.067   7.285  -3.855
  171    HB2  LEU  24           HB2      LEU  24  -3.291   4.955  -3.200
  172    HB3  LEU  24           HB3      LEU  24  -3.891   5.446  -4.767
  173    HG   LEU  24           HG       LEU  24  -1.913   7.041  -3.142
  174   HD11  LEU  24          HD11      LEU  24  -1.458   5.195  -5.486
  175   HD12  LEU  24          HD12      LEU  24  -0.246   6.249  -4.757
  176   HD13  LEU  24          HD13      LEU  24  -0.934   4.919  -3.825
  177   HD21  LEU  24          HD21      LEU  24  -3.375   8.261  -4.766
  178   HD22  LEU  24          HD22      LEU  24  -1.647   8.361  -5.110
  179   HD23  LEU  24          HD23      LEU  24  -2.674   7.275  -6.046
  180    H    GLN  25           HN       GLN  25  -6.911   6.187  -4.182
  181    HA   GLN  25           HA       GLN  25  -7.822   4.476  -1.999
  182    HB2  GLN  25           HB2      GLN  25 -10.071   4.749  -2.983
  183    HB3  GLN  25           HB3      GLN  25  -9.320   6.279  -2.561
  184    HG2  GLN  25           HG2      GLN  25 -10.290   6.705  -4.610
  185    HG3  GLN  25           HG3      GLN  25  -8.612   6.381  -5.022
  186   HE21  GLN  25          HE21      GLN  25 -10.434   3.642  -4.098
  187   HE22  GLN  25          HE22      GLN  25 -10.706   3.006  -5.680
  188    H    VAL  26           HN       VAL  26  -7.958   2.372  -2.168
  189    HA   VAL  26           HA       VAL  26  -8.408   1.086  -4.738
  190    HB   VAL  26           HB       VAL  26  -6.153   0.074  -3.023
  191   HG11  VAL  26          HG11      VAL  26  -5.510  -1.076  -5.083
  192   HG12  VAL  26          HG12      VAL  26  -7.147  -1.496  -4.579
  193   HG13  VAL  26          HG13      VAL  26  -6.897  -0.363  -5.907
  194   HG21  VAL  26          HG21      VAL  26  -5.496   2.312  -3.682
  195   HG22  VAL  26          HG22      VAL  26  -4.577   1.121  -4.603
  196   HG23  VAL  26          HG23      VAL  26  -5.927   1.971  -5.359
  197    H    ARG  27           HN       ARG  27  -9.269  -1.029  -4.531
  198    HA   ARG  27           HA       ARG  27 -10.956  -1.421  -2.338
  199    HB2  ARG  27           HB2      ARG  27 -10.069  -3.758  -3.971
  200    HB3  ARG  27           HB3      ARG  27 -11.669  -3.370  -3.370
  201    HG2  ARG  27           HG2      ARG  27 -10.924  -1.335  -5.138
  202    HG3  ARG  27           HG3      ARG  27 -10.515  -2.858  -5.914
  203    HD2  ARG  27           HD2      ARG  27 -12.751  -3.676  -5.604
  204    HD3  ARG  27           HD3      ARG  27 -13.187  -2.247  -4.670
  205    HE   ARG  27           HE       ARG  27 -12.521  -1.105  -6.948
  206   HH11  ARG  27          HH11      ARG  27 -15.305  -3.833  -7.861
  207   HH12  ARG  27          HH12      ARG  27 -14.355  -4.020  -6.425
  208   HH21  ARG  27          HH21      ARG  27 -14.972  -2.029  -9.232
  209   HH22  ARG  27          HH22      ARG  27 -13.769  -0.847  -8.837
  210    H    ARG  28           HN       ARG  28 -10.831  -2.594  -0.494
  211    HA   ARG  28           HA       ARG  28  -8.312  -3.214   0.605
  212    HB2  ARG  28           HB2      ARG  28  -9.714  -4.459   2.347
  213    HB3  ARG  28           HB3      ARG  28  -9.990  -2.736   2.186
  214    HG2  ARG  28           HG2      ARG  28 -12.078  -3.001   1.401
  215    HG3  ARG  28           HG3      ARG  28 -11.694  -4.500   0.549
  216    HD2  ARG  28           HD2      ARG  28 -11.444  -5.509   2.884
  217    HD3  ARG  28           HD3      ARG  28 -12.303  -4.081   3.454
  218    HE   ARG  28           HE       ARG  28 -13.843  -5.091   1.417
  219   HH11  ARG  28          HH11      ARG  28 -13.965  -7.342   4.727
  220   HH12  ARG  28          HH12      ARG  28 -12.623  -6.279   4.459
  221   HH21  ARG  28          HH21      ARG  28 -15.663  -7.458   3.197
  222   HH22  ARG  28          HH22      ARG  28 -15.612  -6.486   1.764
  223    H    SER  29           HN       SER  29 -10.739  -5.066  -1.084
  224    HA   SER  29           HA       SER  29  -9.615  -7.623  -0.556
  225    HB2  SER  29           HB2      SER  29 -11.950  -7.376  -1.273
  226    HB3  SER  29           HB3      SER  29 -11.414  -6.715  -2.817
  227    HG   SER  29           HG       SER  29 -10.808  -8.662  -3.466
  228    H    SER  30           HN       SER  30  -8.605  -5.007  -2.439
  229    HA   SER  30           HA       SER  30  -7.389  -6.417  -4.594
  230    HB2  SER  30           HB2      SER  30  -6.502  -3.785  -3.395
  231    HB3  SER  30           HB3      SER  30  -6.104  -4.400  -4.997
  232    HG   SER  30           HG       SER  30  -7.926  -3.643  -5.697
  233    H    SER  31           HN       SER  31  -5.310  -7.180  -4.809
  234    HA   SER  31           HA       SER  31  -3.993  -7.764  -2.296
  235    HB2  SER  31           HB2      SER  31  -3.326  -8.662  -5.087
  236    HB3  SER  31           HB3      SER  31  -2.586  -9.265  -3.607
  237    HG   SER  31           HG       SER  31  -4.684  -9.999  -2.989
  238    H    VAL  32           HN       VAL  32  -1.782  -7.380  -1.957
  239    HA   VAL  32           HA       VAL  32  -0.892  -4.847  -2.214
  240    HB   VAL  32           HB       VAL  32   1.202  -5.567  -1.471
  241   HG11  VAL  32          HG11      VAL  32   0.742  -7.111   0.274
  242   HG12  VAL  32          HG12      VAL  32  -0.723  -6.167  -0.001
  243   HG13  VAL  32          HG13      VAL  32  -0.603  -7.811  -0.626
  244   HG21  VAL  32          HG21      VAL  32   2.038  -7.886  -1.744
  245   HG22  VAL  32          HG22      VAL  32   0.653  -8.220  -2.784
  246   HG23  VAL  32          HG23      VAL  32   1.853  -7.021  -3.271
  247    H    ALA  33           HN       ALA  33  -0.600  -7.413  -4.589
  248    HA   ALA  33           HA       ALA  33   1.379  -6.262  -6.216
  249    HB1  ALA  33           HB1      ALA  33  -0.890  -8.070  -7.035
  250    HB2  ALA  33           HB2      ALA  33   0.582  -7.762  -7.958
  251    HB3  ALA  33           HB3      ALA  33   0.672  -8.596  -6.407
  252    H    GLN  34           HN       GLN  34  -2.139  -5.854  -6.190
  253    HA   GLN  34           HA       GLN  34  -2.159  -4.227  -8.556
  254    HB2  GLN  34           HB2      GLN  34  -4.309  -4.673  -6.485
  255    HB3  GLN  34           HB3      GLN  34  -4.537  -3.897  -8.045
  256    HG2  GLN  34           HG2      GLN  34  -3.744  -6.762  -7.573
  257    HG3  GLN  34           HG3      GLN  34  -5.320  -6.181  -8.109
  258   HE21  GLN  34          HE21      GLN  34  -2.014  -6.748  -9.003
  259   HE22  GLN  34          HE22      GLN  34  -2.229  -6.573 -10.708
  260    H    VAL  35           HN       VAL  35  -2.609  -3.584  -5.083
  261    HA   VAL  35           HA       VAL  35  -3.069  -0.853  -5.289
  262    HB   VAL  35           HB       VAL  35  -1.666  -1.360  -2.875
  263   HG11  VAL  35          HG11      VAL  35  -4.639  -1.346  -3.251
  264   HG12  VAL  35          HG12      VAL  35  -3.722  -0.784  -1.853
  265   HG13  VAL  35          HG13      VAL  35  -3.660   0.120  -3.366
  266   HG21  VAL  35          HG21      VAL  35  -2.888  -3.200  -1.908
  267   HG22  VAL  35          HG22      VAL  35  -3.706  -3.489  -3.441
  268   HG23  VAL  35          HG23      VAL  35  -1.964  -3.753  -3.302
  269    H    LYS  36           HN       LYS  36  -0.077  -2.690  -4.808
  270    HA   LYS  36           HA       LYS  36   1.629  -0.448  -4.746
  271    HB2  LYS  36           HB2      LYS  36   1.997  -3.391  -5.060
  272    HB3  LYS  36           HB3      LYS  36   3.344  -2.309  -5.288
  273    HG2  LYS  36           HG2      LYS  36   2.996  -3.356  -2.990
  274    HG3  LYS  36           HG3      LYS  36   3.331  -1.640  -3.090
  275    HD2  LYS  36           HD2      LYS  36   1.295  -1.048  -2.344
  276    HD3  LYS  36           HD3      LYS  36   0.502  -2.404  -3.139
  277    HE2  LYS  36           HE2      LYS  36   1.378  -3.908  -1.407
  278    HE3  LYS  36           HE3      LYS  36   2.131  -2.534  -0.607
  279    HZ1  LYS  36           HZ1      LYS  36  -0.784  -2.891  -1.041
  280    HZ2  LYS  36           HZ2      LYS  36  -0.058  -1.578  -0.262
  281    HZ3  LYS  36           HZ3      LYS  36   0.029  -3.121   0.426
  282    H    ALA  37           HN       ALA  37   0.274  -2.410  -7.307
  283    HA   ALA  37           HA       ALA  37   2.037  -1.811  -9.383
  284    HB1  ALA  37           HB1      ALA  37  -0.971  -2.084  -9.553
  285    HB2  ALA  37           HB2      ALA  37   0.153  -2.191 -10.906
  286    HB3  ALA  37           HB3      ALA  37   0.187  -3.411  -9.634
  287    H    MET  38           HN       MET  38  -0.662  -0.045  -8.005
  288    HA   MET  38           HA       MET  38  -0.505   2.193  -9.747
  289    HB2  MET  38           HB2      MET  38  -1.549   2.246  -6.916
  290    HB3  MET  38           HB3      MET  38  -2.041   3.255  -8.268
  291    HG2  MET  38           HG2      MET  38  -2.914   1.154  -9.357
  292    HG3  MET  38           HG3      MET  38  -2.646   0.351  -7.812
  293    HE1  MET  38           HE1      MET  38  -5.242  -0.350  -7.848
  294    HE2  MET  38           HE2      MET  38  -6.558   0.816  -8.005
  295    HE3  MET  38           HE3      MET  38  -5.472   0.523  -9.364
  296    H    ILE  39           HN       ILE  39   0.861   1.336  -6.612
  297    HA   ILE  39           HA       ILE  39   2.045   3.759  -5.931
  298    HB   ILE  39           HB       ILE  39   2.992   0.948  -5.381
  299   HG12  ILE  39          HG12      ILE  39   0.834   1.329  -4.411
  300   HG13  ILE  39          HG13      ILE  39   2.026   1.412  -3.119
  301   HG21  ILE  39          HG21      ILE  39   3.930   3.555  -4.215
  302   HG22  ILE  39          HG22      ILE  39   4.249   1.978  -3.491
  303   HG23  ILE  39          HG23      ILE  39   4.885   2.357  -5.092
  304   HD11  ILE  39          HD11      ILE  39   1.924   3.839  -3.158
  305   HD12  ILE  39          HD12      ILE  39   0.761   3.778  -4.482
  306   HD13  ILE  39          HD13      ILE  39   0.326   3.141  -2.896
  307    H    GLU  40           HN       GLU  40   3.065   1.306  -8.228
  308    HA   GLU  40           HA       GLU  40   5.680   2.422  -8.646
  309    HB2  GLU  40           HB2      GLU  40   5.382   0.081  -9.098
  310    HB3  GLU  40           HB3      GLU  40   4.034   0.402 -10.179
  311    HG2  GLU  40           HG2      GLU  40   5.567   1.520 -11.735
  312    HG3  GLU  40           HG3      GLU  40   6.910   1.143 -10.659
  313    H    THR  41           HN       THR  41   2.501   2.707 -10.087
  314    HA   THR  41           HA       THR  41   3.191   4.073 -12.425
  315    HB   THR  41           HB       THR  41   0.671   4.890 -11.115
  316    HG1  THR  41           HG1      THR  41   1.176   2.182 -11.864
  317   HG21  THR  41          HG21      THR  41   1.329   3.630 -13.773
  318   HG22  THR  41          HG22      THR  41   1.166   5.359 -13.468
  319   HG23  THR  41          HG23      THR  41  -0.234   4.298 -13.304
  320    H    LYS  42           HN       LYS  42   3.023   5.144  -9.121
  321    HA   LYS  42           HA       LYS  42   3.310   7.934  -9.979
  322    HB2  LYS  42           HB2      LYS  42   2.461   6.668  -7.394
  323    HB3  LYS  42           HB3      LYS  42   2.931   8.364  -7.474
  324    HG2  LYS  42           HG2      LYS  42   0.706   8.610  -7.809
  325    HG3  LYS  42           HG3      LYS  42   1.194   8.316  -9.481
  326    HD2  LYS  42           HD2      LYS  42   0.834   5.846  -8.930
  327    HD3  LYS  42           HD3      LYS  42  -0.085   6.432  -7.545
  328    HE2  LYS  42           HE2      LYS  42  -1.502   5.960  -9.516
  329    HE3  LYS  42           HE3      LYS  42  -1.587   7.639  -8.990
  330    HZ1  LYS  42           HZ1      LYS  42  -1.410   7.483 -11.388
  331    HZ2  LYS  42           HZ2      LYS  42   0.033   6.610 -11.258
  332    HZ3  LYS  42           HZ3      LYS  42  -0.029   8.222 -10.749
  333    H    THR  43           HN       THR  43   4.868   5.486  -7.929
  334    HA   THR  43           HA       THR  43   7.097   7.296  -7.408
  335    HB   THR  43           HB       THR  43   7.923   5.682  -5.851
  336    HG1  THR  43           HG1      THR  43   6.447   3.664  -5.712
  337   HG21  THR  43          HG21      THR  43   4.910   5.817  -5.679
  338   HG22  THR  43          HG22      THR  43   6.049   7.000  -5.036
  339   HG23  THR  43          HG23      THR  43   5.987   5.375  -4.354
  340    H    GLY  44           HN       GLY  44   6.477   4.173  -8.963
  341    HA2  GLY  44           HA1      GLY  44   7.512   3.501 -10.979
  342    HA3  GLY  44           HA2      GLY  44   8.828   4.617 -10.655
  343    H    ILE  45           HN       ILE  45   8.010   2.829  -7.912
  344    HA   ILE  45           HA       ILE  45  10.464   1.325  -8.071
  345    HB   ILE  45           HB       ILE  45   8.311   1.169  -5.957
  346   HG12  ILE  45          HG12      ILE  45   9.096   3.470  -6.196
  347   HG13  ILE  45          HG13      ILE  45   9.665   2.777  -4.686
  348   HG21  ILE  45          HG21      ILE  45  11.225   0.409  -5.916
  349   HG22  ILE  45          HG22      ILE  45  10.141   0.374  -4.526
  350   HG23  ILE  45          HG23      ILE  45   9.852  -0.696  -5.899
  351   HD11  ILE  45          HD11      ILE  45  11.280   3.121  -7.202
  352   HD12  ILE  45          HD12      ILE  45  11.396   4.100  -5.739
  353   HD13  ILE  45          HD13      ILE  45  11.859   2.399  -5.700
  354    H    ILE  46           HN       ILE  46  10.630  -0.616  -9.002
  355    HA   ILE  46           HA       ILE  46   8.469  -2.031 -10.063
  356    HB   ILE  46           HB       ILE  46  10.173  -4.007 -10.041
  357   HG12  ILE  46          HG12      ILE  46  12.005  -1.658  -9.513
  358   HG13  ILE  46          HG13      ILE  46  11.649  -2.931  -8.347
  359   HG21  ILE  46          HG21      ILE  46   9.507  -2.799 -12.020
  360   HG22  ILE  46          HG22      ILE  46  10.604  -1.477 -11.618
  361   HG23  ILE  46          HG23      ILE  46  11.250  -3.064 -12.039
  362   HD11  ILE  46          HD11      ILE  46  12.997  -3.289 -11.010
  363   HD12  ILE  46          HD12      ILE  46  13.775  -3.322  -9.427
  364   HD13  ILE  46          HD13      ILE  46  12.619  -4.578  -9.867
  365    HA   PRO  47           HA       PRO  47   6.478  -4.058  -6.676
  366    HB2  PRO  47           HB2      PRO  47   6.407  -6.303  -8.654
  367    HB3  PRO  47           HB3      PRO  47   5.119  -5.658  -7.644
  368    HG2  PRO  47           HG2      PRO  47   5.198  -5.018 -10.195
  369    HG3  PRO  47           HG3      PRO  47   4.820  -3.776  -8.985
  370    HD2  PRO  47           HD2      PRO  47   7.350  -4.254 -10.484
  371    HD3  PRO  47           HD3      PRO  47   6.605  -2.721  -9.994
  372    H    GLU  48           HN       GLU  48   8.653  -6.118  -8.581
  373    HA   GLU  48           HA       GLU  48   9.172  -8.080  -6.709
  374    HB2  GLU  48           HB2      GLU  48  11.280  -8.476  -7.937
  375    HB3  GLU  48           HB3      GLU  48   9.890  -8.296  -8.999
  376    HG2  GLU  48           HG2      GLU  48  10.547  -6.006  -9.489
  377    HG3  GLU  48           HG3      GLU  48  11.924  -6.160  -8.398
  378    H    THR  49           HN       THR  49  10.050  -4.813  -6.462
  379    HA   THR  49           HA       THR  49  12.057  -5.499  -4.420
  380    HB   THR  49           HB       THR  49  12.798  -4.212  -6.604
  381    HG1  THR  49           HG1      THR  49  13.899  -4.636  -4.417
  382   HG21  THR  49          HG21      THR  49  11.905  -1.949  -4.822
  383   HG22  THR  49          HG22      THR  49  11.131  -2.408  -6.337
  384   HG23  THR  49          HG23      THR  49  12.787  -1.807  -6.341
  385    H    GLN  50           HN       GLN  50   9.143  -3.882  -5.162
  386    HA   GLN  50           HA       GLN  50   9.051  -1.858  -3.259
  387    HB2  GLN  50           HB2      GLN  50   6.839  -3.592  -4.363
  388    HB3  GLN  50           HB3      GLN  50   6.572  -2.157  -3.392
  389    HG2  GLN  50           HG2      GLN  50   7.791  -0.843  -5.119
  390    HG3  GLN  50           HG3      GLN  50   7.836  -2.298  -6.107
  391   HE21  GLN  50          HE21      GLN  50   5.860   0.231  -4.818
  392   HE22  GLN  50          HE22      GLN  50   4.467  -0.085  -5.788
  393    H    ILE  51           HN       ILE  51   8.906  -1.831  -1.114
  394    HA   ILE  51           HA       ILE  51   8.033  -4.276   0.278
  395    HB   ILE  51           HB       ILE  51  10.198  -2.365   1.181
  396   HG12  ILE  51          HG12      ILE  51  10.909  -3.835  -0.631
  397   HG13  ILE  51          HG13      ILE  51  11.731  -4.229   0.861
  398   HG21  ILE  51          HG21      ILE  51   9.080  -4.849   2.435
  399   HG22  ILE  51          HG22      ILE  51  10.561  -4.050   2.952
  400   HG23  ILE  51          HG23      ILE  51   9.018  -3.207   3.076
  401   HD11  ILE  51          HD11      ILE  51  10.148  -6.099   1.175
  402   HD12  ILE  51          HD12      ILE  51   9.448  -5.724  -0.401
  403   HD13  ILE  51          HD13      ILE  51  11.128  -6.244  -0.285
  404    H    VAL  52           HN       VAL  52   5.974  -3.630   0.781
  405    HA   VAL  52           HA       VAL  52   5.642  -1.063   2.129
  406    HB   VAL  52           HB       VAL  52   3.679  -2.915   0.783
  407   HG11  VAL  52          HG11      VAL  52   3.122  -0.412   2.351
  408   HG12  VAL  52          HG12      VAL  52   1.950  -1.287   1.365
  409   HG13  VAL  52          HG13      VAL  52   2.654  -2.056   2.785
  410   HG21  VAL  52          HG21      VAL  52   4.850  -1.573  -0.792
  411   HG22  VAL  52          HG22      VAL  52   3.260  -0.841  -0.581
  412   HG23  VAL  52          HG23      VAL  52   4.670  -0.131   0.206
  413    H    THR  53           HN       THR  53   4.378  -0.992   4.085
  414    HA   THR  53           HA       THR  53   4.061  -3.539   5.487
  415    HB   THR  53           HB       THR  53   5.119  -1.775   7.419
  416    HG1  THR  53           HG1      THR  53   6.808  -2.000   5.129
  417   HG21  THR  53          HG21      THR  53   6.026  -4.318   6.119
  418   HG22  THR  53          HG22      THR  53   5.421  -4.053   7.756
  419   HG23  THR  53          HG23      THR  53   7.038  -3.507   7.313
  420    H    LEU  54           HN       LEU  54   2.336  -3.668   6.615
  421    HA   LEU  54           HA       LEU  54   0.668  -1.329   7.057
  422    HB2  LEU  54           HB2      LEU  54   0.285  -4.180   6.712
  423    HB3  LEU  54           HB3      LEU  54  -0.543  -3.613   8.142
  424    HG   LEU  54           HG       LEU  54  -2.044  -3.609   6.276
  425   HD11  LEU  54          HD11      LEU  54  -2.785  -1.281   6.317
  426   HD12  LEU  54          HD12      LEU  54  -2.325  -1.836   7.926
  427   HD13  LEU  54          HD13      LEU  54  -1.234  -0.801   7.005
  428   HD21  LEU  54          HD21      LEU  54  -0.014  -1.845   4.952
  429   HD22  LEU  54          HD22      LEU  54  -0.524  -3.456   4.452
  430   HD23  LEU  54          HD23      LEU  54  -1.652  -2.106   4.354
  431    H    ASN  55           HN       ASN  55  -0.669  -2.169   9.377
  432    HA   ASN  55           HA       ASN  55   0.978  -1.172  11.399
  433    HB2  ASN  55           HB2      ASN  55  -0.801  -2.424  12.893
  434    HB3  ASN  55           HB3      ASN  55  -1.274  -1.032  11.921
  435   HD21  ASN  55          HD21      ASN  55  -2.329  -1.404   9.914
  436   HD22  ASN  55          HD22      ASN  55  -3.230  -2.853   9.647
  437    H    GLY  56           HN       GLY  56   2.938  -2.179  11.598
  438    HA2  GLY  56           HA1      GLY  56   4.474  -3.748  12.249
  439    HA3  GLY  56           HA2      GLY  56   3.193  -4.404  13.256
  440    H    LYS  57           HN       LYS  57   2.285  -4.412  10.007
  441    HA   LYS  57           HA       LYS  57   2.998  -7.262   9.777
  442    HB2  LYS  57           HB2      LYS  57   0.718  -5.784   8.463
  443    HB3  LYS  57           HB3      LYS  57   1.035  -7.502   8.327
  444    HG2  LYS  57           HG2      LYS  57  -0.225  -5.950  10.498
  445    HG3  LYS  57           HG3      LYS  57  -0.590  -7.566   9.892
  446    HD2  LYS  57           HD2      LYS  57   1.545  -8.325  10.985
  447    HD3  LYS  57           HD3      LYS  57   1.615  -6.742  11.743
  448    HE2  LYS  57           HE2      LYS  57  -0.551  -7.130  12.794
  449    HE3  LYS  57           HE3      LYS  57  -0.646  -8.713  12.025
  450    HZ1  LYS  57           HZ1      LYS  57   1.421  -7.875  13.987
  451    HZ2  LYS  57           HZ2      LYS  57   1.303  -9.400  13.266
  452    HZ3  LYS  57           HZ3      LYS  57   0.093  -8.870  14.323
  453    H    ARG  58           HN       ARG  58   3.699  -8.067   7.761
  454    HA   ARG  58           HA       ARG  58   4.833  -6.020   6.000
  455    HB2  ARG  58           HB2      ARG  58   5.445  -8.954   6.310
  456    HB3  ARG  58           HB3      ARG  58   6.167  -7.938   5.076
  457    HG2  ARG  58           HG2      ARG  58   6.559  -6.591   7.486
  458    HG3  ARG  58           HG3      ARG  58   6.911  -8.286   7.821
  459    HD2  ARG  58           HD2      ARG  58   8.015  -6.883   5.411
  460    HD3  ARG  58           HD3      ARG  58   8.830  -6.814   6.975
  461    HE   ARG  58           HE       ARG  58   8.838  -9.332   6.825
  462   HH11  ARG  58          HH11      ARG  58   9.593  -8.481   2.987
  463   HH12  ARG  58          HH12      ARG  58   8.796  -7.313   3.985
  464   HH21  ARG  58          HH21      ARG  58  10.215 -10.505   3.857
  465   HH22  ARG  58          HH22      ARG  58   9.889 -10.874   5.518
  466    H    LEU  59           HN       LEU  59   4.345  -5.900   3.862
  467    HA   LEU  59           HA       LEU  59   1.888  -7.175   3.036
  468    HB2  LEU  59           HB2      LEU  59   3.645  -5.054   1.850
  469    HB3  LEU  59           HB3      LEU  59   2.366  -5.785   0.910
  470    HG   LEU  59           HG       LEU  59   1.825  -3.607   2.026
  471   HD11  LEU  59          HD11      LEU  59  -0.408  -4.431   2.887
  472   HD12  LEU  59          HD12      LEU  59   0.007  -4.873   1.231
  473   HD13  LEU  59          HD13      LEU  59   0.170  -6.058   2.526
  474   HD21  LEU  59          HD21      LEU  59   1.620  -5.264   4.517
  475   HD22  LEU  59          HD22      LEU  59   3.000  -4.228   4.158
  476   HD23  LEU  59          HD23      LEU  59   1.398  -3.522   4.350
  477    H    GLU  60           HN       GLU  60   1.799  -9.043   2.084
  478    HA   GLU  60           HA       GLU  60   4.177 -10.035   0.664
  479    HB2  GLU  60           HB2      GLU  60   1.876 -11.540   1.917
  480    HB3  GLU  60           HB3      GLU  60   3.207 -12.286   1.048
  481    HG2  GLU  60           HG2      GLU  60   3.414 -10.693   3.592
  482    HG3  GLU  60           HG3      GLU  60   3.546 -12.444   3.439
  483    H    ASP  61           HN       ASP  61   3.946 -11.142  -1.315
  484    HA   ASP  61           HA       ASP  61   2.095  -9.995  -3.110
  485    HB2  ASP  61           HB2      ASP  61   3.855 -12.436  -3.433
  486    HB3  ASP  61           HB3      ASP  61   2.999 -11.631  -4.745
  487    H    GLY  62           HN       GLY  62   0.213 -10.753  -3.995
  488    HA2  GLY  62           HA1      GLY  62  -1.557 -12.217  -4.378
  489    HA3  GLY  62           HA2      GLY  62  -0.719 -13.436  -3.428
  490    H    LYS  63           HN       LYS  63  -0.421 -11.150  -1.357
  491    HA   LYS  63           HA       LYS  63  -2.774 -11.867   0.154
  492    HB2  LYS  63           HB2      LYS  63  -0.136 -10.967   0.729
  493    HB3  LYS  63           HB3      LYS  63  -1.254  -9.795   1.409
  494    HG2  LYS  63           HG2      LYS  63  -0.488 -11.707   2.900
  495    HG3  LYS  63           HG3      LYS  63  -2.210 -11.360   2.837
  496    HD2  LYS  63           HD2      LYS  63  -2.667 -13.246   1.536
  497    HD3  LYS  63           HD3      LYS  63  -0.985 -13.414   1.047
  498    HE2  LYS  63           HE2      LYS  63  -1.328 -15.130   2.608
  499    HE3  LYS  63           HE3      LYS  63  -0.484 -13.863   3.493
  500    HZ1  LYS  63           HZ1      LYS  63  -3.423 -14.255   3.538
  501    HZ2  LYS  63           HZ2      LYS  63  -2.532 -13.164   4.474
  502    HZ3  LYS  63           HZ3      LYS  63  -2.363 -14.827   4.726
  503    H    MET  64           HN       MET  64  -4.449 -10.514   0.753
  504    HA   MET  64           HA       MET  64  -4.684  -8.072  -0.829
  505    HB2  MET  64           HB2      MET  64  -6.936  -9.046   0.820
  506    HB3  MET  64           HB3      MET  64  -6.936  -8.313  -0.765
  507    HG2  MET  64           HG2      MET  64  -6.226 -10.341  -1.783
  508    HG3  MET  64           HG3      MET  64  -6.048 -11.121  -0.216
  509    HE1  MET  64           HE1      MET  64  -8.061 -11.791   1.340
  510    HE2  MET  64           HE2      MET  64  -8.608 -10.115   1.355
  511    HE3  MET  64           HE3      MET  64  -9.747 -11.412   0.990
  512    H    MET  65           HN       MET  65  -5.611  -6.197   0.087
  513    HA   MET  65           HA       MET  65  -4.366  -5.325   2.450
  514    HB2  MET  65           HB2      MET  65  -6.961  -4.056   1.726
  515    HB3  MET  65           HB3      MET  65  -5.432  -3.304   2.156
  516    HG2  MET  65           HG2      MET  65  -4.753  -4.355  -0.192
  517    HG3  MET  65           HG3      MET  65  -6.483  -4.153  -0.454
  518    HE1  MET  65           HE1      MET  65  -6.920  -1.644   1.539
  519    HE2  MET  65           HE2      MET  65  -6.735  -0.233   0.496
  520    HE3  MET  65           HE3      MET  65  -7.708  -1.603  -0.039
  521    H    ALA  66           HN       ALA  66  -7.432  -6.854   1.826
  522    HA   ALA  66           HA       ALA  66  -8.647  -6.325   4.332
  523    HB1  ALA  66           HB1      ALA  66  -9.186  -8.611   2.438
  524    HB2  ALA  66           HB2      ALA  66 -10.250  -8.044   3.725
  525    HB3  ALA  66           HB3      ALA  66  -9.913  -7.009   2.338
  526    H    ASP  67           HN       ASP  67  -6.364  -8.706   3.249
  527    HA   ASP  67           HA       ASP  67  -6.706 -10.611   5.285
  528    HB2  ASP  67           HB2      ASP  67  -5.383 -11.020   3.235
  529    HB3  ASP  67           HB3      ASP  67  -4.162  -9.889   3.813
  530    H    TYR  68           HN       TYR  68  -5.289  -7.466   5.262
  531    HA   TYR  68           HA       TYR  68  -3.923  -7.943   7.812
  532    HB2  TYR  68           HB2      TYR  68  -3.901  -5.505   6.021
  533    HB3  TYR  68           HB3      TYR  68  -2.880  -5.762   7.436
  534    HD1  TYR  68           HD1      TYR  68  -3.509  -6.783   3.963
  535    HD2  TYR  68           HD2      TYR  68  -0.968  -7.223   7.345
  536    HE1  TYR  68           HE1      TYR  68  -1.813  -7.854   2.541
  537    HE2  TYR  68           HE2      TYR  68   0.737  -8.295   5.937
  538    HH   TYR  68           HH       TYR  68   0.873  -9.503   3.813
  539    H    GLY  69           HN       GLY  69  -6.937  -7.414   7.019
  540    HA2  GLY  69           HA1      GLY  69  -8.752  -6.368   7.962
  541    HA3  GLY  69           HA2      GLY  69  -7.827  -6.472   9.454
  542    H    ILE  70           HN       ILE  70  -7.095  -4.612   6.524
  543    HA   ILE  70           HA       ILE  70  -6.475  -2.303   8.038
  544    HB   ILE  70           HB       ILE  70  -6.006  -1.200   6.001
  545   HG12  ILE  70          HG12      ILE  70  -7.726  -1.439   4.476
  546   HG13  ILE  70          HG13      ILE  70  -6.526  -2.530   3.798
  547   HG21  ILE  70          HG21      ILE  70  -4.524  -2.762   4.894
  548   HG22  ILE  70          HG22      ILE  70  -4.465  -2.961   6.645
  549   HG23  ILE  70          HG23      ILE  70  -5.362  -4.116   5.658
  550   HD11  ILE  70          HD11      ILE  70  -8.926  -3.310   5.416
  551   HD12  ILE  70          HD12      ILE  70  -8.696  -3.521   3.679
  552   HD13  ILE  70          HD13      ILE  70  -7.694  -4.421   4.817
  553    H    ARG  71           HN       ARG  71  -7.433  -0.133   7.295
  554    HA   ARG  71           HA       ARG  71 -10.361  -0.313   7.317
  555    HB2  ARG  71           HB2      ARG  71 -10.289   1.725   8.784
  556    HB3  ARG  71           HB3      ARG  71  -9.704   0.242   9.524
  557    HG2  ARG  71           HG2      ARG  71  -7.395   0.967   9.068
  558    HG3  ARG  71           HG3      ARG  71  -8.029   2.488   8.435
  559    HD2  ARG  71           HD2      ARG  71  -9.044   2.978  10.592
  560    HD3  ARG  71           HD3      ARG  71  -8.461   1.442  11.231
  561    HE   ARG  71           HE       ARG  71  -6.255   2.851  10.279
  562   HH11  ARG  71          HH11      ARG  71  -7.630   4.013  13.857
  563   HH12  ARG  71          HH12      ARG  71  -8.668   3.143  12.777
  564   HH21  ARG  71          HH21      ARG  71  -5.478   4.497  13.242
  565   HH22  ARG  71          HH22      ARG  71  -4.881   3.994  11.696
  566    H    LYS  72           HN       LYS  72 -11.386   1.834   6.758
  567    HA   LYS  72           HA       LYS  72 -10.643   2.623   4.187
  568    HB2  LYS  72           HB2      LYS  72 -12.081   4.685   5.704
  569    HB3  LYS  72           HB3      LYS  72 -12.525   3.870   4.215
  570    HG2  LYS  72           HG2      LYS  72 -12.808   2.655   6.953
  571    HG3  LYS  72           HG3      LYS  72 -14.098   3.502   6.098
  572    HD2  LYS  72           HD2      LYS  72 -13.920   1.884   4.263
  573    HD3  LYS  72           HD3      LYS  72 -12.665   1.022   5.153
  574    HE2  LYS  72           HE2      LYS  72 -14.782  -0.097   5.462
  575    HE3  LYS  72           HE3      LYS  72 -14.274   0.635   6.983
  576    HZ1  LYS  72           HZ1      LYS  72 -16.269   1.768   5.097
  577    HZ2  LYS  72           HZ2      LYS  72 -15.776   2.481   6.549
  578    HZ3  LYS  72           HZ3      LYS  72 -16.618   1.014   6.571
  579    H    GLY  73           HN       GLY  73  -8.876   3.693   3.588
  580    HA2  GLY  73           HA1      GLY  73  -7.255   5.331   3.539
  581    HA3  GLY  73           HA2      GLY  73  -8.153   6.180   4.791
  582    H    ASN  74           HN       ASN  74  -6.586   2.977   4.709
  583    HA   ASN  74           HA       ASN  74  -5.522   3.402   7.338
  584    HB2  ASN  74           HB2      ASN  74  -6.261   1.147   6.122
  585    HB3  ASN  74           HB3      ASN  74  -4.567   1.140   5.646
  586   HD21  ASN  74          HD21      ASN  74  -5.578   2.586   8.632
  587   HD22  ASN  74          HD22      ASN  74  -4.921   1.379   9.674
  588    H    LEU  75           HN       LEU  75  -3.281   3.242   7.874
  589    HA   LEU  75           HA       LEU  75  -1.655   4.865   6.144
  590    HB2  LEU  75           HB2      LEU  75  -1.330   3.733   8.896
  591    HB3  LEU  75           HB3      LEU  75   0.045   4.421   8.062
  592    HG   LEU  75           HG       LEU  75  -2.493   5.855   8.839
  593   HD11  LEU  75          HD11      LEU  75  -0.946   5.460  10.678
  594   HD12  LEU  75          HD12      LEU  75   0.366   6.173   9.738
  595   HD13  LEU  75          HD13      LEU  75  -0.996   7.171  10.251
  596   HD21  LEU  75          HD21      LEU  75  -0.100   6.861   7.299
  597   HD22  LEU  75          HD22      LEU  75  -1.747   6.693   6.693
  598   HD23  LEU  75          HD23      LEU  75  -1.388   7.874   7.952
  599    H    LEU  76           HN       LEU  76  -0.181   4.216   4.758
  600    HA   LEU  76           HA       LEU  76   0.852   1.461   4.936
  601    HB2  LEU  76           HB2      LEU  76   0.457   2.994   2.371
  602    HB3  LEU  76           HB3      LEU  76   0.880   1.304   2.550
  603    HG   LEU  76           HG       LEU  76  -1.791   2.561   3.173
  604   HD11  LEU  76          HD11      LEU  76  -0.816   0.712   1.007
  605   HD12  LEU  76          HD12      LEU  76  -2.520   1.001   1.353
  606   HD13  LEU  76          HD13      LEU  76  -1.491   2.331   0.826
  607   HD21  LEU  76          HD21      LEU  76  -0.887  -0.303   3.457
  608   HD22  LEU  76          HD22      LEU  76  -1.311   0.792   4.772
  609   HD23  LEU  76          HD23      LEU  76  -2.545   0.271   3.626
  610    H    PHE  77           HN       PHE  77   3.009   1.339   5.094
  611    HA   PHE  77           HA       PHE  77   4.559   3.768   4.524
  612    HB2  PHE  77           HB2      PHE  77   5.094   1.364   6.265
  613    HB3  PHE  77           HB3      PHE  77   6.370   2.495   5.831
  614    HD1  PHE  77           HD1      PHE  77   6.701   4.420   7.085
  615    HD2  PHE  77           HD2      PHE  77   3.009   2.327   7.405
  616    HE1  PHE  77           HE1      PHE  77   6.039   5.883   8.949
  617    HE2  PHE  77           HE2      PHE  77   2.339   3.787   9.269
  618    HZ   PHE  77           HZ       PHE  77   3.855   5.568  10.044
  619    H    LEU  78           HN       LEU  78   5.573   3.843   2.644
  620    HA   LEU  78           HA       LEU  78   6.074   1.406   1.156
  621    HB2  LEU  78           HB2      LEU  78   5.124   3.340   0.000
  622    HB3  LEU  78           HB3      LEU  78   6.534   4.297   0.416
  623    HG   LEU  78           HG       LEU  78   7.937   2.805  -0.965
  624   HD11  LEU  78          HD11      LEU  78   5.312   1.533  -1.731
  625   HD12  LEU  78          HD12      LEU  78   6.877   1.207  -2.476
  626   HD13  LEU  78          HD13      LEU  78   6.597   0.775  -0.790
  627   HD21  LEU  78          HD21      LEU  78   7.146   3.594  -3.123
  628   HD22  LEU  78          HD22      LEU  78   5.566   3.957  -2.429
  629   HD23  LEU  78          HD23      LEU  78   6.988   4.859  -1.906
  630    H    ALA  79           HN       ALA  79   8.034   0.624   0.553
  631    HA   ALA  79           HA       ALA  79  10.487   1.976   1.292
  632    HB1  ALA  79           HB1      ALA  79   9.743   0.779   3.360
  633    HB2  ALA  79           HB2      ALA  79   9.896  -0.735   2.464
  634    HB3  ALA  79           HB3      ALA  79  11.318   0.271   2.747
  635    H    SER  80           HN       SER  80  12.411   0.496   0.714
  636    HA   SER  80           HA       SER  80  11.717  -1.162  -1.618
  637    HB2  SER  80           HB2      SER  80  13.684  -0.322  -2.790
  638    HB3  SER  80           HB3      SER  80  12.622   1.016  -2.354
  639    HG   SER  80           HG       SER  80  14.193   1.821  -1.233
  640    H    TYR  81           HN       TYR  81  13.301  -2.801  -2.164
  641    HA   TYR  81           HA       TYR  81  14.027  -4.440  -0.095
  642    HB2  TYR  81           HB2      TYR  81  14.455  -4.358  -2.911
  643    HB3  TYR  81           HB3      TYR  81  15.955  -4.843  -2.134
  644    HD1  TYR  81           HD1      TYR  81  12.362  -5.673  -2.460
  645    HD2  TYR  81           HD2      TYR  81  16.208  -7.017  -1.239
  646    HE1  TYR  81           HE1      TYR  81  11.480  -7.955  -2.223
  647    HE2  TYR  81           HE2      TYR  81  15.338  -9.304  -0.995
  648    HH   TYR  81           HH       TYR  81  13.161 -10.417  -0.622
  649    H    SER  82           HN       SER  82  15.589  -4.508   1.386
  650    HA   SER  82           HA       SER  82  18.163  -3.275   0.930
  651    HB2  SER  82           HB2      SER  82  16.358  -2.268   3.143
  652    HB3  SER  82           HB3      SER  82  18.057  -1.839   2.940
  653    HG   SER  82           HG       SER  82  17.320  -1.129   0.746
  654    H    ILE  83           HN       ILE  83  15.957  -4.954   3.092
  655    HA   ILE  83           HA       ILE  83  16.251  -6.620   4.609
  656    HB   ILE  83           HB       ILE  83  18.887  -7.055   3.200
  657   HG12  ILE  83          HG12      ILE  83  17.016  -7.161   1.632
  658   HG13  ILE  83          HG13      ILE  83  17.671  -8.772   1.907
  659   HG21  ILE  83          HG21      ILE  83  17.266  -8.880   4.970
  660   HG22  ILE  83          HG22      ILE  83  18.702  -9.354   4.062
  661   HG23  ILE  83          HG23      ILE  83  18.828  -8.158   5.352
  662   HD11  ILE  83          HD11      ILE  83  15.154  -7.625   3.091
  663   HD12  ILE  83          HD12      ILE  83  15.275  -8.869   1.847
  664   HD13  ILE  83          HD13      ILE  83  15.827  -9.207   3.488
  665    H    GLY  84           HN       GLY  84  16.385  -5.576   6.533
  666    HA2  GLY  84           HA1      GLY  84  18.088  -5.729   8.424
  667    HA3  GLY  84           HA2      GLY  84  19.054  -4.672   7.406
  668    H    GLY  85           HN       GLY  85  19.131  -2.869   8.642
  669    HA2  GLY  85           HA1      GLY  85  16.823  -1.186   8.682
  670    HA3  GLY  85           HA2      GLY  85  17.194  -1.808  10.284
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1 -17.900  15.152  -5.514
    2    H2   GLY   1           H2       GLY   1 -16.272  15.399  -5.903
    3    H3   GLY   1           H3       GLY   1 -17.224  16.698  -5.386
    4    HA2  GLY   1           HA2      GLY   1 -15.765  15.952  -3.612
    5    HA3  GLY   1           HA1      GLY   1 -17.459  15.731  -3.202
    6    H    ALA   2           HN       ALA   2 -14.876  13.940  -4.885
    7    HA   ALA   2           HA       ALA   2 -14.163  11.788  -4.735
    8    HB1  ALA   2           HB1      ALA   2 -13.921  12.304  -2.346
    9    HB2  ALA   2           HB2      ALA   2 -15.580  11.776  -2.072
   10    HB3  ALA   2           HB3      ALA   2 -14.365  10.620  -2.618
   11    H    MET   3           HN       MET   3 -14.854   9.609  -5.044
   12    HA   MET   3           HA       MET   3 -17.717   9.093  -5.076
   13    HB2  MET   3           HB2      MET   3 -17.804   8.464  -7.396
   14    HB3  MET   3           HB3      MET   3 -17.178  10.102  -7.292
   15    HG2  MET   3           HG2      MET   3 -15.496   7.634  -7.658
   16    HG3  MET   3           HG3      MET   3 -16.009   8.715  -8.952
   17    HE1  MET   3           HE1      MET   3 -14.144  12.031  -8.033
   18    HE2  MET   3           HE2      MET   3 -15.164  11.219  -9.220
   19    HE3  MET   3           HE3      MET   3 -15.789  11.560  -7.608
   20    H    GLY   4           HN       GLY   4 -18.215   6.811  -5.539
   21    HA2  GLY   4           HA1      GLY   4 -17.302   4.554  -5.874
   22    HA3  GLY   4           HA2      GLY   4 -15.943   5.044  -4.874
   23    H    ASP   5           HN       ASP   5 -17.326   2.750  -4.292
   24    HA   ASP   5           HA       ASP   5 -18.409   3.423  -1.670
   25    HB2  ASP   5           HB2      ASP   5 -20.387   3.294  -3.123
   26    HB3  ASP   5           HB3      ASP   5 -19.900   1.684  -3.649
   27    H    GLU   6           HN       GLU   6 -16.996   1.172  -3.896
   28    HA   GLU   6           HA       GLU   6 -16.729  -0.884  -1.841
   29    HB2  GLU   6           HB2      GLU   6 -15.849  -0.909  -4.734
   30    HB3  GLU   6           HB3      GLU   6 -15.816  -2.280  -3.634
   31    HG2  GLU   6           HG2      GLU   6 -18.265  -2.160  -3.446
   32    HG3  GLU   6           HG3      GLU   6 -18.269  -0.832  -4.606
   33    H    GLU   7           HN       GLU   7 -14.635   0.992  -4.025
   34    HA   GLU   7           HA       GLU   7 -12.190   0.141  -2.945
   35    HB2  GLU   7           HB2      GLU   7 -12.768   2.818  -4.223
   36    HB3  GLU   7           HB3      GLU   7 -11.204   2.023  -4.102
   37    HG2  GLU   7           HG2      GLU   7 -12.036   0.217  -5.547
   38    HG3  GLU   7           HG3      GLU   7 -13.567   1.076  -5.707
   39    H    LEU   8           HN       LEU   8 -10.850   0.974  -1.373
   40    HA   LEU   8           HA       LEU   8 -12.072   2.971   0.414
   41    HB2  LEU   8           HB2      LEU   8 -10.234   0.671   1.075
   42    HB3  LEU   8           HB3      LEU   8 -10.700   1.915   2.218
   43    HG   LEU   8           HG       LEU   8 -12.545  -0.078   0.899
   44   HD11  LEU   8          HD11      LEU   8 -11.646   0.235   3.759
   45   HD12  LEU   8          HD12      LEU   8 -12.829  -0.934   3.168
   46   HD13  LEU   8          HD13      LEU   8 -11.147  -1.038   2.644
   47   HD21  LEU   8          HD21      LEU   8 -14.269   0.873   2.387
   48   HD22  LEU   8          HD22      LEU   8 -13.138   2.144   2.852
   49   HD23  LEU   8          HD23      LEU   8 -13.699   2.029   1.184
   50    HA   PRO   9           HA       PRO   9  -8.518   5.501  -0.208
   51    HB2  PRO   9           HB2      PRO   9  -8.624   6.591   2.465
   52    HB3  PRO   9           HB3      PRO   9  -9.176   7.323   0.960
   53    HG2  PRO   9           HG2      PRO   9 -10.856   6.520   2.966
   54    HG3  PRO   9           HG3      PRO   9 -11.332   6.616   1.261
   55    HD2  PRO   9           HD2      PRO   9 -10.519   4.225   2.871
   56    HD3  PRO   9           HD3      PRO   9 -11.813   4.379   1.664
   57    H    LEU  10           HN       LEU  10  -6.350   6.034   0.584
   58    HA   LEU  10           HA       LEU  10  -5.283   4.410   2.734
   59    HB2  LEU  10           HB2      LEU  10  -4.423   4.084  -0.132
   60    HB3  LEU  10           HB3      LEU  10  -3.464   3.551   1.232
   61    HG   LEU  10           HG       LEU  10  -6.266   2.588   0.769
   62   HD11  LEU  10          HD11      LEU  10  -3.693   1.320  -0.157
   63   HD12  LEU  10          HD12      LEU  10  -5.291   0.581  -0.235
   64   HD13  LEU  10          HD13      LEU  10  -4.937   2.019  -1.192
   65   HD21  LEU  10          HD21      LEU  10  -5.448   2.288   3.020
   66   HD22  LEU  10          HD22      LEU  10  -5.526   0.728   2.202
   67   HD23  LEU  10          HD23      LEU  10  -3.973   1.536   2.414
   68    H    PHE  11           HN       PHE  11  -2.954   4.823   3.054
   69    HA   PHE  11           HA       PHE  11  -2.216   7.566   2.274
   70    HB2  PHE  11           HB2      PHE  11  -2.225   6.323   5.014
   71    HB3  PHE  11           HB3      PHE  11  -1.269   7.754   4.644
   72    HD1  PHE  11           HD1      PHE  11  -4.297   6.627   5.917
   73    HD2  PHE  11           HD2      PHE  11  -2.667   9.660   3.422
   74    HE1  PHE  11           HE1      PHE  11  -6.269   8.031   6.346
   75    HE2  PHE  11           HE2      PHE  11  -4.631  11.075   3.844
   76    HZ   PHE  11           HZ       PHE  11  -6.441  10.257   5.324
   77    H    LEU  12           HN       LEU  12  -0.469   7.275   0.999
   78    HA   LEU  12           HA       LEU  12   1.451   5.189   1.588
   79    HB2  LEU  12           HB2      LEU  12   0.599   6.031  -0.729
   80    HB3  LEU  12           HB3      LEU  12   1.792   7.295  -0.517
   81    HG   LEU  12           HG       LEU  12   2.585   5.421  -1.903
   82   HD11  LEU  12          HD11      LEU  12   4.162   6.822  -0.638
   83   HD12  LEU  12          HD12      LEU  12   4.080   5.676   0.699
   84   HD13  LEU  12          HD13      LEU  12   4.746   5.174  -0.854
   85   HD21  LEU  12          HD21      LEU  12   2.401   3.812   0.638
   86   HD22  LEU  12          HD22      LEU  12   1.371   3.617  -0.781
   87   HD23  LEU  12          HD23      LEU  12   3.098   3.272  -0.889
   88    H    VAL  13           HN       VAL  13   3.045   5.498   3.006
   89    HA   VAL  13           HA       VAL  13   4.150   8.209   3.316
   90    HB   VAL  13           HB       VAL  13   4.257   6.083   5.443
   91   HG11  VAL  13          HG11      VAL  13   4.537   9.081   5.491
   92   HG12  VAL  13          HG12      VAL  13   4.573   8.035   6.912
   93   HG13  VAL  13          HG13      VAL  13   5.828   7.896   5.682
   94   HG21  VAL  13          HG21      VAL  13   2.323   7.140   6.511
   95   HG22  VAL  13          HG22      VAL  13   2.133   8.202   5.114
   96   HG23  VAL  13          HG23      VAL  13   1.902   6.462   4.939
   97    H    GLU  14           HN       GLU  14   6.053   8.284   2.294
   98    HA   GLU  14           HA       GLU  14   7.648   6.022   1.724
   99    HB2  GLU  14           HB2      GLU  14   7.867   8.957   1.373
  100    HB3  GLU  14           HB3      GLU  14   9.364   8.044   1.331
  101    HG2  GLU  14           HG2      GLU  14   6.993   7.309  -0.345
  102    HG3  GLU  14           HG3      GLU  14   8.206   8.472  -0.874
  103    H    SER  15           HN       SER  15   9.126   5.012   2.893
  104    HA   SER  15           HA       SER  15   9.603   5.627   5.597
  105    HB2  SER  15           HB2      SER  15   9.777   3.345   4.726
  106    HB3  SER  15           HB3      SER  15  11.159   3.816   3.739
  107    HG   SER  15           HG       SER  15  11.938   2.889   5.603
  108    H    GLY  16           HN       GLY  16  11.684   6.004   2.738
  109    HA2  GLY  16           HA1      GLY  16  13.914   7.016   4.086
  110    HA3  GLY  16           HA2      GLY  16  13.540   7.314   2.394
  111    H    ASP  17           HN       ASP  17  11.059   8.662   2.839
  112    HA   ASP  17           HA       ASP  17  11.756  10.985   4.460
  113    HB2  ASP  17           HB2      ASP  17  11.103  11.165   1.511
  114    HB3  ASP  17           HB3      ASP  17  11.244  12.540   2.601
  115    H    GLU  18           HN       GLU  18  10.061  10.981   5.800
  116    HA   GLU  18           HA       GLU  18   7.489  10.046   5.189
  117    HB2  GLU  18           HB2      GLU  18   6.798  11.234   7.271
  118    HB3  GLU  18           HB3      GLU  18   8.193  10.182   7.479
  119    HG2  GLU  18           HG2      GLU  18   9.655  12.160   7.262
  120    HG3  GLU  18           HG3      GLU  18   8.215  13.176   7.208
  121    H    ALA  19           HN       ALA  19   9.044  12.961   4.394
  122    HA   ALA  19           HA       ALA  19   6.911  14.769   4.311
  123    HB1  ALA  19           HB1      ALA  19   8.268  16.051   2.750
  124    HB2  ALA  19           HB2      ALA  19   9.260  15.431   4.069
  125    HB3  ALA  19           HB3      ALA  19   9.312  14.654   2.487
  126    H    LYS  20           HN       LYS  20   7.892  12.236   2.098
  127    HA   LYS  20           HA       LYS  20   6.167  13.044  -0.027
  128    HB2  LYS  20           HB2      LYS  20   7.182  10.242   0.322
  129    HB3  LYS  20           HB3      LYS  20   6.906  11.137  -1.163
  130    HG2  LYS  20           HG2      LYS  20   9.117  11.654   0.815
  131    HG3  LYS  20           HG3      LYS  20   9.281  10.823  -0.733
  132    HD2  LYS  20           HD2      LYS  20   8.444  12.911  -1.836
  133    HD3  LYS  20           HD3      LYS  20   8.547  13.709  -0.268
  134    HE2  LYS  20           HE2      LYS  20  10.938  13.216  -0.169
  135    HE3  LYS  20           HE3      LYS  20  10.840  12.404  -1.732
  136    HZ1  LYS  20           HZ1      LYS  20  11.666  14.639  -1.998
  137    HZ2  LYS  20           HZ2      LYS  20  10.310  15.281  -1.218
  138    HZ3  LYS  20           HZ3      LYS  20  10.139  14.516  -2.717
  139    H    ARG  21           HN       ARG  21   4.024  13.092   0.370
  140    HA   ARG  21           HA       ARG  21   2.803  10.658   1.488
  141    HB2  ARG  21           HB2      ARG  21   2.549  13.439   2.362
  142    HB3  ARG  21           HB3      ARG  21   1.001  12.650   2.080
  143    HG2  ARG  21           HG2      ARG  21   3.152  11.436   3.771
  144    HG3  ARG  21           HG3      ARG  21   1.886  12.491   4.412
  145    HD2  ARG  21           HD2      ARG  21   1.315  10.037   2.775
  146    HD3  ARG  21           HD3      ARG  21   1.424  10.018   4.534
  147    HE   ARG  21           HE       ARG  21  -0.724  11.093   2.943
  148   HH11  ARG  21          HH11      ARG  21  -0.540  11.657   6.905
  149   HH12  ARG  21          HH12      ARG  21   0.850  11.075   6.053
  150   HH21  ARG  21          HH21      ARG  21  -2.474  12.115   5.772
  151   HH22  ARG  21          HH22      ARG  21  -2.558  11.877   4.059
  152    H    HIS  22           HN       HIS  22   1.287   9.729   0.296
  153    HA   HIS  22           HA       HIS  22  -0.163  11.307  -1.702
  154    HB2  HIS  22           HB2      HIS  22   0.642   8.727  -2.787
  155    HB3  HIS  22           HB3      HIS  22   0.777  10.333  -3.498
  156    HD2  HIS  22           HD2      HIS  22   3.028   7.615  -2.276
  157    HE1  HIS  22           HE1      HIS  22   5.210  11.198  -1.797
  158    H    LEU  23           HN       LEU  23  -2.256  10.906  -1.499
  159    HA   LEU  23           HA       LEU  23  -3.184   8.540  -0.090
  160    HB2  LEU  23           HB2      LEU  23  -4.041  10.980   0.151
  161    HB3  LEU  23           HB3      LEU  23  -4.930  10.649  -1.318
  162    HG   LEU  23           HG       LEU  23  -5.230   9.126   1.273
  163   HD11  LEU  23          HD11      LEU  23  -7.402  10.233   1.416
  164   HD12  LEU  23          HD12      LEU  23  -6.077  11.398   1.445
  165   HD13  LEU  23          HD13      LEU  23  -7.020  11.168  -0.029
  166   HD21  LEU  23          HD21      LEU  23  -7.316   8.290   0.107
  167   HD22  LEU  23          HD22      LEU  23  -6.613   8.905  -1.389
  168   HD23  LEU  23          HD23      LEU  23  -5.785   7.641  -0.478
  169    H    LEU  24           HN       LEU  24  -4.141   6.800  -1.016
  170    HA   LEU  24           HA       LEU  24  -4.831   6.976  -3.874
  171    HB2  LEU  24           HB2      LEU  24  -3.544   4.595  -2.558
  172    HB3  LEU  24           HB3      LEU  24  -3.949   4.761  -4.250
  173    HG   LEU  24           HG       LEU  24  -1.858   6.368  -2.783
  174   HD11  LEU  24          HD11      LEU  24  -0.268   5.110  -4.142
  175   HD12  LEU  24          HD12      LEU  24  -1.209   4.038  -3.105
  176   HD13  LEU  24          HD13      LEU  24  -1.591   4.161  -4.822
  177   HD21  LEU  24          HD21      LEU  24  -2.611   6.308  -5.701
  178   HD22  LEU  24          HD22      LEU  24  -2.927   7.629  -4.578
  179   HD23  LEU  24          HD23      LEU  24  -1.267   7.207  -4.996
  180    H    GLN  25           HN       GLN  25  -6.675   6.013  -4.496
  181    HA   GLN  25           HA       GLN  25  -8.346   4.843  -2.389
  182    HB2  GLN  25           HB2      GLN  25 -10.094   5.207  -4.376
  183    HB3  GLN  25           HB3      GLN  25  -9.684   6.475  -3.227
  184    HG2  GLN  25           HG2      GLN  25  -9.607   7.456  -5.370
  185    HG3  GLN  25           HG3      GLN  25  -7.938   7.233  -4.843
  186   HE21  GLN  25          HE21      GLN  25  -6.667   5.649  -5.818
  187   HE22  GLN  25          HE22      GLN  25  -7.083   4.953  -7.342
  188    H    VAL  26           HN       VAL  26  -7.932   2.748  -2.342
  189    HA   VAL  26           HA       VAL  26  -8.607   1.160  -4.702
  190    HB   VAL  26           HB       VAL  26  -6.078   0.773  -3.097
  191   HG11  VAL  26          HG11      VAL  26  -7.009  -1.382  -3.626
  192   HG12  VAL  26          HG12      VAL  26  -7.269  -0.899  -5.303
  193   HG13  VAL  26          HG13      VAL  26  -5.629  -1.079  -4.682
  194   HG21  VAL  26          HG21      VAL  26  -4.952   1.166  -5.240
  195   HG22  VAL  26          HG22      VAL  26  -6.515   1.501  -5.986
  196   HG23  VAL  26          HG23      VAL  26  -5.898   2.561  -4.719
  197    H    ARG  27           HN       ARG  27  -9.399  -0.921  -4.249
  198    HA   ARG  27           HA       ARG  27 -10.802  -1.182  -1.807
  199    HB2  ARG  27           HB2      ARG  27 -10.226  -3.448  -3.704
  200    HB3  ARG  27           HB3      ARG  27 -11.606  -3.255  -2.634
  201    HG2  ARG  27           HG2      ARG  27 -12.392  -1.383  -3.990
  202    HG3  ARG  27           HG3      ARG  27 -11.000  -1.591  -5.053
  203    HD2  ARG  27           HD2      ARG  27 -11.752  -3.785  -5.696
  204    HD3  ARG  27           HD3      ARG  27 -13.066  -3.718  -4.524
  205    HE   ARG  27           HE       ARG  27 -13.291  -1.556  -6.312
  206   HH11  ARG  27          HH11      ARG  27 -14.842  -5.066  -7.459
  207   HH12  ARG  27          HH12      ARG  27 -13.649  -5.020  -6.205
  208   HH21  ARG  27          HH21      ARG  27 -15.530  -3.128  -8.462
  209   HH22  ARG  27          HH22      ARG  27 -14.862  -1.607  -7.968
  210    H    ARG  28           HN       ARG  28 -10.642  -2.889  -0.274
  211    HA   ARG  28           HA       ARG  28  -7.950  -3.376   0.583
  212    HB2  ARG  28           HB2      ARG  28  -8.941  -4.449   2.501
  213    HB3  ARG  28           HB3      ARG  28  -9.760  -2.924   2.187
  214    HG2  ARG  28           HG2      ARG  28 -11.361  -4.479   0.810
  215    HG3  ARG  28           HG3      ARG  28 -10.746  -5.696   1.926
  216    HD2  ARG  28           HD2      ARG  28 -11.637  -3.062   2.914
  217    HD3  ARG  28           HD3      ARG  28 -12.848  -4.289   2.548
  218    HE   ARG  28           HE       ARG  28 -11.509  -5.715   4.168
  219   HH11  ARG  28          HH11      ARG  28 -11.420  -2.220   6.121
  220   HH12  ARG  28          HH12      ARG  28 -11.668  -2.241   4.407
  221   HH21  ARG  28          HH21      ARG  28 -11.144  -4.184   7.267
  222   HH22  ARG  28          HH22      ARG  28 -11.186  -5.696   6.424
  223    H    SER  29           HN       SER  29 -10.530  -5.101  -0.954
  224    HA   SER  29           HA       SER  29  -9.414  -7.698  -0.718
  225    HB2  SER  29           HB2      SER  29 -11.296  -6.572  -2.809
  226    HB3  SER  29           HB3      SER  29 -10.975  -8.286  -2.548
  227    HG   SER  29           HG       SER  29 -12.235  -8.267  -0.847
  228    H    SER  30           HN       SER  30  -8.427  -4.919  -2.218
  229    HA   SER  30           HA       SER  30  -7.303  -6.080  -4.610
  230    HB2  SER  30           HB2      SER  30  -6.492  -3.532  -3.201
  231    HB3  SER  30           HB3      SER  30  -6.095  -3.987  -4.855
  232    HG   SER  30           HG       SER  30  -8.708  -4.150  -4.660
  233    H    SER  31           HN       SER  31  -5.490  -7.236  -4.756
  234    HA   SER  31           HA       SER  31  -3.978  -7.740  -2.380
  235    HB2  SER  31           HB2      SER  31  -2.747  -9.323  -3.670
  236    HB3  SER  31           HB3      SER  31  -4.441  -9.475  -4.129
  237    HG   SER  31           HG       SER  31  -3.860  -9.036  -6.090
  238    H    VAL  32           HN       VAL  32  -1.834  -7.292  -2.024
  239    HA   VAL  32           HA       VAL  32  -0.868  -4.806  -2.431
  240    HB   VAL  32           HB       VAL  32   1.162  -5.505  -1.574
  241   HG11  VAL  32          HG11      VAL  32  -0.537  -7.830  -0.750
  242   HG12  VAL  32          HG12      VAL  32   0.693  -6.986   0.190
  243   HG13  VAL  32          HG13      VAL  32  -0.833  -6.185  -0.188
  244   HG21  VAL  32          HG21      VAL  32   2.063  -7.807  -1.804
  245   HG22  VAL  32          HG22      VAL  32   0.728  -8.171  -2.898
  246   HG23  VAL  32          HG23      VAL  32   1.918  -6.944  -3.336
  247    H    ALA  33           HN       ALA  33  -0.666  -7.514  -4.651
  248    HA   ALA  33           HA       ALA  33   1.372  -6.561  -6.329
  249    HB1  ALA  33           HB1      ALA  33   0.516  -8.112  -7.984
  250    HB2  ALA  33           HB2      ALA  33   0.525  -8.860  -6.387
  251    HB3  ALA  33           HB3      ALA  33  -0.988  -8.277  -7.079
  252    H    GLN  34           HN       GLN  34  -2.149  -6.057  -6.460
  253    HA   GLN  34           HA       GLN  34  -1.981  -4.493  -8.881
  254    HB2  GLN  34           HB2      GLN  34  -4.308  -4.788  -6.979
  255    HB3  GLN  34           HB3      GLN  34  -4.372  -4.209  -8.636
  256    HG2  GLN  34           HG2      GLN  34  -3.743  -6.397  -9.458
  257    HG3  GLN  34           HG3      GLN  34  -3.581  -6.991  -7.806
  258   HE21  GLN  34          HE21      GLN  34  -5.912  -5.507  -6.871
  259   HE22  GLN  34          HE22      GLN  34  -7.292  -6.354  -7.474
  260    H    VAL  35           HN       VAL  35  -2.411  -3.949  -5.458
  261    HA   VAL  35           HA       VAL  35  -2.961  -1.196  -5.513
  262    HB   VAL  35           HB       VAL  35  -1.571  -2.815  -3.365
  263   HG11  VAL  35          HG11      VAL  35  -3.177  -0.293  -3.127
  264   HG12  VAL  35          HG12      VAL  35  -2.330  -1.146  -1.838
  265   HG13  VAL  35          HG13      VAL  35  -1.413  -0.367  -3.128
  266   HG21  VAL  35          HG21      VAL  35  -3.693  -3.827  -3.991
  267   HG22  VAL  35          HG22      VAL  35  -3.814  -3.082  -2.398
  268   HG23  VAL  35          HG23      VAL  35  -4.506  -2.275  -3.803
  269    H    LYS  36           HN       LYS  36   0.082  -2.966  -5.001
  270    HA   LYS  36           HA       LYS  36   1.752  -0.716  -4.959
  271    HB2  LYS  36           HB2      LYS  36   2.152  -3.647  -5.311
  272    HB3  LYS  36           HB3      LYS  36   3.487  -2.555  -5.571
  273    HG2  LYS  36           HG2      LYS  36   3.197  -3.607  -3.262
  274    HG3  LYS  36           HG3      LYS  36   3.522  -1.889  -3.375
  275    HD2  LYS  36           HD2      LYS  36   1.437  -1.287  -2.705
  276    HD3  LYS  36           HD3      LYS  36   0.702  -2.768  -3.309
  277    HE2  LYS  36           HE2      LYS  36   1.813  -4.001  -1.461
  278    HE3  LYS  36           HE3      LYS  36   2.405  -2.465  -0.840
  279    HZ1  LYS  36           HZ1      LYS  36   0.127  -1.737  -0.541
  280    HZ2  LYS  36           HZ2      LYS  36   0.399  -3.177   0.303
  281    HZ3  LYS  36           HZ3      LYS  36  -0.453  -3.202  -1.157
  282    H    ALA  37           HN       ALA  37   0.357  -2.615  -7.516
  283    HA   ALA  37           HA       ALA  37   2.084  -1.979  -9.621
  284    HB1  ALA  37           HB1      ALA  37  -0.930  -2.178  -9.786
  285    HB2  ALA  37           HB2      ALA  37   0.213  -2.367 -11.116
  286    HB3  ALA  37           HB3      ALA  37   0.169  -3.556  -9.814
  287    H    MET  38           HN       MET  38  -0.589  -0.254  -8.142
  288    HA   MET  38           HA       MET  38  -0.419   2.050  -9.793
  289    HB2  MET  38           HB2      MET  38  -1.524   1.806  -6.990
  290    HB3  MET  38           HB3      MET  38  -1.835   3.121  -8.115
  291    HG2  MET  38           HG2      MET  38  -2.559   0.845  -9.513
  292    HG3  MET  38           HG3      MET  38  -3.122   0.547  -7.870
  293    HE1  MET  38           HE1      MET  38  -5.305   3.696  -7.184
  294    HE2  MET  38           HE2      MET  38  -4.151   2.548  -6.500
  295    HE3  MET  38           HE3      MET  38  -3.573   4.022  -7.281
  296    H    ILE  39           HN       ILE  39   0.976   1.077  -6.686
  297    HA   ILE  39           HA       ILE  39   2.163   3.460  -5.917
  298    HB   ILE  39           HB       ILE  39   3.185   0.638  -5.593
  299   HG12  ILE  39          HG12      ILE  39   1.079   0.986  -4.474
  300   HG13  ILE  39          HG13      ILE  39   2.358   0.941  -3.264
  301   HG21  ILE  39          HG21      ILE  39   4.191   3.186  -4.355
  302   HG22  ILE  39          HG22      ILE  39   4.549   1.576  -3.728
  303   HG23  ILE  39          HG23      ILE  39   5.088   2.032  -5.344
  304   HD11  ILE  39          HD11      ILE  39   0.747   2.675  -2.764
  305   HD12  ILE  39          HD12      ILE  39   2.320   3.380  -3.142
  306   HD13  ILE  39          HD13      ILE  39   1.027   3.413  -4.341
  307    H    GLU  40           HN       GLU  40   3.077   1.244  -8.454
  308    HA   GLU  40           HA       GLU  40   5.672   2.427  -8.899
  309    HB2  GLU  40           HB2      GLU  40   5.353   0.092  -9.471
  310    HB3  GLU  40           HB3      GLU  40   4.010   0.496 -10.534
  311    HG2  GLU  40           HG2      GLU  40   5.541   1.703 -12.007
  312    HG3  GLU  40           HG3      GLU  40   6.885   1.290 -10.943
  313    H    THR  41           HN       THR  41   2.433   2.651 -10.228
  314    HA   THR  41           HA       THR  41   2.961   4.213 -12.470
  315    HB   THR  41           HB       THR  41   0.487   4.804 -10.936
  316    HG1  THR  41           HG1      THR  41  -0.326   2.701 -11.559
  317   HG21  THR  41          HG21      THR  41   1.026   3.924 -13.766
  318   HG22  THR  41          HG22      THR  41   0.827   5.593 -13.233
  319   HG23  THR  41          HG23      THR  41  -0.525   4.466 -13.127
  320    H    LYS  42           HN       LYS  42   3.002   5.049  -9.105
  321    HA   LYS  42           HA       LYS  42   3.105   7.902  -9.769
  322    HB2  LYS  42           HB2      LYS  42   2.509   6.420  -7.232
  323    HB3  LYS  42           HB3      LYS  42   2.919   8.132  -7.214
  324    HG2  LYS  42           HG2      LYS  42   0.672   8.333  -7.365
  325    HG3  LYS  42           HG3      LYS  42   1.030   8.160  -9.086
  326    HD2  LYS  42           HD2      LYS  42   0.779   5.655  -8.684
  327    HD3  LYS  42           HD3      LYS  42  -0.020   6.110  -7.180
  328    HE2  LYS  42           HE2      LYS  42  -1.593   5.724  -9.059
  329    HE3  LYS  42           HE3      LYS  42  -1.696   7.346  -8.377
  330    HZ1  LYS  42           HZ1      LYS  42  -0.255   6.594 -10.864
  331    HZ2  LYS  42           HZ2      LYS  42  -0.328   8.151 -10.208
  332    HZ3  LYS  42           HZ3      LYS  42  -1.735   7.411 -10.784
  333    H    THR  43           HN       THR  43   4.850   5.484  -7.794
  334    HA   THR  43           HA       THR  43   7.063   7.333  -7.429
  335    HB   THR  43           HB       THR  43   8.053   5.681  -5.987
  336    HG1  THR  43           HG1      THR  43   6.650   3.963  -7.494
  337   HG21  THR  43          HG21      THR  43   6.244   6.986  -5.003
  338   HG22  THR  43          HG22      THR  43   6.256   5.353  -4.337
  339   HG23  THR  43          HG23      THR  43   5.065   5.798  -5.558
  340    H    GLY  44           HN       GLY  44   6.387   4.313  -9.129
  341    HA2  GLY  44           HA1      GLY  44   7.349   3.770 -11.217
  342    HA3  GLY  44           HA2      GLY  44   8.692   4.844 -10.858
  343    H    ILE  45           HN       ILE  45   8.202   3.110  -8.113
  344    HA   ILE  45           HA       ILE  45  10.517   1.484  -8.557
  345    HB   ILE  45           HB       ILE  45   8.566   1.307  -6.256
  346   HG12  ILE  45          HG12      ILE  45   9.340   3.600  -6.447
  347   HG13  ILE  45          HG13      ILE  45  10.107   2.834  -5.065
  348   HG21  ILE  45          HG21      ILE  45  10.493   0.430  -5.026
  349   HG22  ILE  45          HG22      ILE  45  10.080  -0.579  -6.411
  350   HG23  ILE  45          HG23      ILE  45  11.461   0.515  -6.497
  351   HD11  ILE  45          HD11      ILE  45  11.692   4.203  -6.259
  352   HD12  ILE  45          HD12      ILE  45  12.137   2.503  -6.404
  353   HD13  ILE  45          HD13      ILE  45  11.361   3.329  -7.755
  354    H    ILE  46           HN       ILE  46  10.643  -0.659  -9.054
  355    HA   ILE  46           HA       ILE  46   8.288  -1.910 -10.103
  356    HB   ILE  46           HB       ILE  46   9.968  -3.926 -10.290
  357   HG12  ILE  46          HG12      ILE  46  11.815  -1.554  -9.930
  358   HG13  ILE  46          HG13      ILE  46  11.701  -2.949  -8.864
  359   HG21  ILE  46          HG21      ILE  46   9.016  -2.693 -12.154
  360   HG22  ILE  46          HG22      ILE  46  10.214  -1.416 -11.939
  361   HG23  ILE  46          HG23      ILE  46  10.724  -3.032 -12.433
  362   HD11  ILE  46          HD11      ILE  46  12.685  -2.917 -11.703
  363   HD12  ILE  46          HD12      ILE  46  13.637  -3.183 -10.242
  364   HD13  ILE  46          HD13      ILE  46  12.443  -4.378 -10.747
  365    HA   PRO  47           HA       PRO  47   6.581  -4.165  -6.724
  366    HB2  PRO  47           HB2      PRO  47   6.849  -6.466  -8.625
  367    HB3  PRO  47           HB3      PRO  47   5.483  -5.998  -7.619
  368    HG2  PRO  47           HG2      PRO  47   5.450  -5.415 -10.182
  369    HG3  PRO  47           HG3      PRO  47   4.900  -4.213  -8.996
  370    HD2  PRO  47           HD2      PRO  47   7.445  -4.334 -10.533
  371    HD3  PRO  47           HD3      PRO  47   6.500  -2.921 -10.024
  372    H    GLU  48           HN       GLU  48   9.070  -5.976  -8.504
  373    HA   GLU  48           HA       GLU  48   9.800  -7.779  -6.544
  374    HB2  GLU  48           HB2      GLU  48  11.956  -7.970  -7.713
  375    HB3  GLU  48           HB3      GLU  48  10.591  -7.966  -8.822
  376    HG2  GLU  48           HG2      GLU  48  11.013  -5.636  -9.362
  377    HG3  GLU  48           HG3      GLU  48  12.357  -5.605  -8.221
  378    H    THR  49           HN       THR  49  10.185  -4.434  -6.376
  379    HA   THR  49           HA       THR  49  12.244  -4.725  -4.285
  380    HB   THR  49           HB       THR  49  12.367  -2.081  -4.884
  381    HG1  THR  49           HG1      THR  49  11.406  -1.843  -6.754
  382   HG21  THR  49          HG21      THR  49  14.444  -2.595  -6.078
  383   HG22  THR  49          HG22      THR  49  13.950  -4.284  -6.208
  384   HG23  THR  49          HG23      THR  49  14.276  -3.578  -4.624
  385    H    GLN  50           HN       GLN  50   9.134  -3.544  -5.177
  386    HA   GLN  50           HA       GLN  50   8.691  -1.632  -3.189
  387    HB2  GLN  50           HB2      GLN  50   6.724  -3.482  -4.533
  388    HB3  GLN  50           HB3      GLN  50   6.297  -2.071  -3.588
  389    HG2  GLN  50           HG2      GLN  50   7.775  -0.785  -5.268
  390    HG3  GLN  50           HG3      GLN  50   7.571  -2.217  -6.276
  391   HE21  GLN  50          HE21      GLN  50   6.330  -1.269  -7.831
  392   HE22  GLN  50          HE22      GLN  50   4.731  -0.682  -7.548
  393    H    ILE  51           HN       ILE  51   8.794  -1.903  -1.083
  394    HA   ILE  51           HA       ILE  51   7.630  -4.332   0.101
  395    HB   ILE  51           HB       ILE  51   9.934  -2.773   1.272
  396   HG12  ILE  51          HG12      ILE  51   9.874  -4.848  -0.772
  397   HG13  ILE  51          HG13      ILE  51  11.198  -3.805  -0.279
  398   HG21  ILE  51          HG21      ILE  51   8.790  -5.459   2.027
  399   HG22  ILE  51          HG22      ILE  51  10.091  -4.597   2.848
  400   HG23  ILE  51          HG23      ILE  51   8.453  -3.944   2.864
  401   HD11  ILE  51          HD11      ILE  51  10.386  -6.398   1.020
  402   HD12  ILE  51          HD12      ILE  51  11.807  -6.114   0.014
  403   HD13  ILE  51          HD13      ILE  51  11.673  -5.334   1.589
  404    H    VAL  52           HN       VAL  52   5.667  -3.517   0.686
  405    HA   VAL  52           HA       VAL  52   5.590  -1.019   2.180
  406    HB   VAL  52           HB       VAL  52   3.489  -2.669   0.793
  407   HG11  VAL  52          HG11      VAL  52   3.040  -0.338   2.636
  408   HG12  VAL  52          HG12      VAL  52   1.822  -1.063   1.588
  409   HG13  VAL  52          HG13      VAL  52   2.531  -2.005   2.895
  410   HG21  VAL  52          HG21      VAL  52   4.751  -1.145  -0.602
  411   HG22  VAL  52          HG22      VAL  52   3.098  -0.560  -0.417
  412   HG23  VAL  52          HG23      VAL  52   4.406   0.188   0.500
  413    H    THR  53           HN       THR  53   4.359  -0.947   4.181
  414    HA   THR  53           HA       THR  53   4.023  -3.525   5.526
  415    HB   THR  53           HB       THR  53   5.072  -1.760   7.476
  416    HG1  THR  53           HG1      THR  53   6.864  -0.954   6.605
  417   HG21  THR  53          HG21      THR  53   6.996  -3.513   7.354
  418   HG22  THR  53          HG22      THR  53   5.927  -4.332   6.214
  419   HG23  THR  53          HG23      THR  53   5.383  -4.012   7.863
  420    H    LEU  54           HN       LEU  54   2.146  -3.640   6.366
  421    HA   LEU  54           HA       LEU  54   0.533  -1.313   6.862
  422    HB2  LEU  54           HB2      LEU  54   0.159  -4.162   6.538
  423    HB3  LEU  54           HB3      LEU  54  -0.700  -3.588   7.947
  424    HG   LEU  54           HG       LEU  54  -2.132  -3.598   6.004
  425   HD11  LEU  54          HD11      LEU  54  -2.585  -1.915   7.668
  426   HD12  LEU  54          HD12      LEU  54  -1.394  -0.833   6.941
  427   HD13  LEU  54          HD13      LEU  54  -2.871  -1.238   6.066
  428   HD21  LEU  54          HD21      LEU  54  -0.112  -1.718   4.838
  429   HD22  LEU  54          HD22      LEU  54  -0.531  -3.330   4.257
  430   HD23  LEU  54          HD23      LEU  54  -1.709  -2.022   4.160
  431    H    ASN  55           HN       ASN  55  -0.858  -2.091   9.162
  432    HA   ASN  55           HA       ASN  55   0.766  -1.034  11.177
  433    HB2  ASN  55           HB2      ASN  55  -1.659  -2.792  11.596
  434    HB3  ASN  55           HB3      ASN  55  -1.041  -1.545  12.680
  435   HD21  ASN  55          HD21      ASN  55  -2.514  -2.124   9.550
  436   HD22  ASN  55          HD22      ASN  55  -3.205  -0.557   9.362
  437    H    GLY  56           HN       GLY  56   2.682  -2.058  11.480
  438    HA2  GLY  56           HA1      GLY  56   4.170  -3.585  12.302
  439    HA3  GLY  56           HA2      GLY  56   2.827  -4.253  13.217
  440    H    LYS  57           HN       LYS  57   2.079  -4.334   9.956
  441    HA   LYS  57           HA       LYS  57   2.958  -7.146   9.763
  442    HB2  LYS  57           HB2      LYS  57   0.640  -5.826   8.349
  443    HB3  LYS  57           HB3      LYS  57   1.050  -7.529   8.294
  444    HG2  LYS  57           HG2      LYS  57  -0.365  -5.963  10.360
  445    HG3  LYS  57           HG3      LYS  57  -0.636  -7.610   9.793
  446    HD2  LYS  57           HD2      LYS  57   1.470  -8.252  10.992
  447    HD3  LYS  57           HD3      LYS  57   1.469  -6.640  11.686
  448    HE2  LYS  57           HE2      LYS  57   0.468  -8.279  13.211
  449    HE3  LYS  57           HE3      LYS  57  -0.690  -7.045  12.716
  450    HZ1  LYS  57           HZ1      LYS  57  -1.681  -9.237  12.655
  451    HZ2  LYS  57           HZ2      LYS  57  -0.488  -9.784  11.588
  452    HZ3  LYS  57           HZ3      LYS  57  -1.587  -8.600  11.090
  453    H    ARG  58           HN       ARG  58   3.714  -7.896   7.682
  454    HA   ARG  58           HA       ARG  58   4.699  -5.705   6.011
  455    HB2  ARG  58           HB2      ARG  58   6.540  -6.935   5.455
  456    HB3  ARG  58           HB3      ARG  58   6.223  -7.542   7.064
  457    HG2  ARG  58           HG2      ARG  58   5.766  -9.598   6.344
  458    HG3  ARG  58           HG3      ARG  58   4.868  -8.995   4.954
  459    HD2  ARG  58           HD2      ARG  58   7.065  -8.380   3.918
  460    HD3  ARG  58           HD3      ARG  58   7.848  -9.251   5.236
  461    HE   ARG  58           HE       ARG  58   6.029 -11.006   4.115
  462   HH11  ARG  58          HH11      ARG  58   9.328 -10.441   1.917
  463   HH12  ARG  58          HH12      ARG  58   8.865  -9.258   3.093
  464   HH21  ARG  58          HH21      ARG  58   8.058 -12.324   1.619
  465   HH22  ARG  58          HH22      ARG  58   6.630 -12.568   2.568
  466    H    LEU  59           HN       LEU  59   4.480  -5.756   3.785
  467    HA   LEU  59           HA       LEU  59   2.024  -7.053   2.945
  468    HB2  LEU  59           HB2      LEU  59   3.735  -4.876   1.813
  469    HB3  LEU  59           HB3      LEU  59   2.539  -5.660   0.811
  470    HG   LEU  59           HG       LEU  59   1.838  -3.520   1.898
  471   HD11  LEU  59          HD11      LEU  59   0.102  -4.836   1.040
  472   HD12  LEU  59          HD12      LEU  59   0.296  -6.056   2.301
  473   HD13  LEU  59          HD13      LEU  59  -0.380  -4.476   2.699
  474   HD21  LEU  59          HD21      LEU  59   2.955  -4.160   4.095
  475   HD22  LEU  59          HD22      LEU  59   1.365  -3.405   4.185
  476   HD23  LEU  59          HD23      LEU  59   1.523  -5.149   4.387
  477    H    GLU  60           HN       GLU  60   2.019  -8.954   2.089
  478    HA   GLU  60           HA       GLU  60   4.402  -9.941   0.687
  479    HB2  GLU  60           HB2      GLU  60   2.053 -11.453   1.837
  480    HB3  GLU  60           HB3      GLU  60   3.470 -12.177   1.095
  481    HG2  GLU  60           HG2      GLU  60   4.871 -11.213   2.856
  482    HG3  GLU  60           HG3      GLU  60   3.435 -10.522   3.605
  483    H    ASP  61           HN       ASP  61   4.122 -11.215  -1.246
  484    HA   ASP  61           HA       ASP  61   2.388 -10.005  -3.125
  485    HB2  ASP  61           HB2      ASP  61   4.003 -12.555  -3.332
  486    HB3  ASP  61           HB3      ASP  61   3.229 -11.738  -4.685
  487    H    GLY  62           HN       GLY  62   0.416 -10.567  -3.863
  488    HA2  GLY  62           HA1      GLY  62  -1.421 -11.945  -4.297
  489    HA3  GLY  62           HA2      GLY  62  -0.652 -13.225  -3.371
  490    H    LYS  63           HN       LYS  63  -0.222 -11.045  -1.223
  491    HA   LYS  63           HA       LYS  63  -2.515 -11.716   0.324
  492    HB2  LYS  63           HB2      LYS  63   0.007 -10.213   0.698
  493    HB3  LYS  63           HB3      LYS  63  -1.322  -9.756   1.742
  494    HG2  LYS  63           HG2      LYS  63   0.183 -11.435   2.742
  495    HG3  LYS  63           HG3      LYS  63  -1.484 -11.985   2.611
  496    HD2  LYS  63           HD2      LYS  63  -0.882 -13.201   0.541
  497    HD3  LYS  63           HD3      LYS  63   0.794 -12.701   0.767
  498    HE2  LYS  63           HE2      LYS  63   0.875 -13.893   2.891
  499    HE3  LYS  63           HE3      LYS  63  -0.816 -14.357   2.708
  500    HZ1  LYS  63           HZ1      LYS  63   1.417 -15.169   0.927
  501    HZ2  LYS  63           HZ2      LYS  63  -0.207 -15.586   0.704
  502    HZ3  LYS  63           HZ3      LYS  63   0.634 -16.156   2.056
  503    H    MET  64           HN       MET  64  -4.271 -10.470   0.871
  504    HA   MET  64           HA       MET  64  -4.677  -8.054  -0.728
  505    HB2  MET  64           HB2      MET  64  -6.964  -8.833   0.817
  506    HB3  MET  64           HB3      MET  64  -6.783  -8.764  -0.921
  507    HG2  MET  64           HG2      MET  64  -5.825 -11.016  -0.910
  508    HG3  MET  64           HG3      MET  64  -6.028 -11.079   0.840
  509    HE1  MET  64           HE1      MET  64  -7.748 -11.451  -2.646
  510    HE2  MET  64           HE2      MET  64  -9.432 -11.095  -2.265
  511    HE3  MET  64           HE3      MET  64  -8.215  -9.823  -2.158
  512    H    MET  65           HN       MET  65  -5.485  -6.124   0.237
  513    HA   MET  65           HA       MET  65  -4.288  -5.385   2.655
  514    HB2  MET  65           HB2      MET  65  -6.841  -4.029   1.947
  515    HB3  MET  65           HB3      MET  65  -5.316  -3.334   2.468
  516    HG2  MET  65           HG2      MET  65  -4.565  -4.253   0.091
  517    HG3  MET  65           HG3      MET  65  -6.283  -4.016  -0.224
  518    HE1  MET  65           HE1      MET  65  -7.523  -1.593   0.201
  519    HE2  MET  65           HE2      MET  65  -6.832  -1.553   1.822
  520    HE3  MET  65           HE3      MET  65  -6.644  -0.167   0.749
  521    H    ALA  66           HN       ALA  66  -7.507  -6.616   1.962
  522    HA   ALA  66           HA       ALA  66  -8.684  -6.285   4.463
  523    HB1  ALA  66           HB1      ALA  66 -10.304  -7.887   3.782
  524    HB2  ALA  66           HB2      ALA  66  -9.816  -7.014   2.332
  525    HB3  ALA  66           HB3      ALA  66  -9.185  -8.631   2.639
  526    H    ASP  67           HN       ASP  67  -6.470  -8.718   3.258
  527    HA   ASP  67           HA       ASP  67  -6.736 -10.598   5.324
  528    HB2  ASP  67           HB2      ASP  67  -5.508 -11.020   3.214
  529    HB3  ASP  67           HB3      ASP  67  -4.241  -9.919   3.747
  530    H    TYR  68           HN       TYR  68  -5.240  -7.484   5.229
  531    HA   TYR  68           HA       TYR  68  -3.765  -7.957   7.708
  532    HB2  TYR  68           HB2      TYR  68  -3.895  -5.530   5.907
  533    HB3  TYR  68           HB3      TYR  68  -2.835  -5.704   7.306
  534    HD1  TYR  68           HD1      TYR  68  -3.461  -6.773   3.862
  535    HD2  TYR  68           HD2      TYR  68  -0.903  -7.162   7.235
  536    HE1  TYR  68           HE1      TYR  68  -1.787  -7.882   2.451
  537    HE2  TYR  68           HE2      TYR  68   0.790  -8.264   5.836
  538    HH   TYR  68           HH       TYR  68   0.887  -9.532   3.727
  539    H    GLY  69           HN       GLY  69  -6.846  -7.367   7.045
  540    HA2  GLY  69           HA1      GLY  69  -8.597  -6.374   8.152
  541    HA3  GLY  69           HA2      GLY  69  -7.569  -6.477   9.576
  542    H    ILE  70           HN       ILE  70  -7.067  -4.612   6.600
  543    HA   ILE  70           HA       ILE  70  -6.337  -2.291   8.065
  544    HB   ILE  70           HB       ILE  70  -6.045  -1.200   5.974
  545   HG12  ILE  70          HG12      ILE  70  -7.904  -1.552   4.618
  546   HG13  ILE  70          HG13      ILE  70  -6.681  -2.545   3.838
  547   HG21  ILE  70          HG21      ILE  70  -4.583  -2.737   4.819
  548   HG22  ILE  70          HG22      ILE  70  -4.423  -2.925   6.565
  549   HG23  ILE  70          HG23      ILE  70  -5.346  -4.105   5.632
  550   HD11  ILE  70          HD11      ILE  70  -7.624  -4.530   4.649
  551   HD12  ILE  70          HD12      ILE  70  -8.682  -3.663   5.763
  552   HD13  ILE  70          HD13      ILE  70  -8.951  -3.556   4.026
  553    H    ARG  71           HN       ARG  71  -7.433  -0.135   6.992
  554    HA   ARG  71           HA       ARG  71 -10.336  -0.372   7.254
  555    HB2  ARG  71           HB2      ARG  71  -8.618   1.480   8.910
  556    HB3  ARG  71           HB3      ARG  71 -10.360   1.575   8.791
  557    HG2  ARG  71           HG2      ARG  71 -10.557   0.162  10.445
  558    HG3  ARG  71           HG3      ARG  71  -9.761  -1.050   9.453
  559    HD2  ARG  71           HD2      ARG  71  -7.590  -0.340  10.256
  560    HD3  ARG  71           HD3      ARG  71  -8.342   0.965  11.172
  561    HE   ARG  71           HE       ARG  71  -9.383  -1.581  11.913
  562   HH11  ARG  71          HH11      ARG  71  -6.243  -0.089  13.902
  563   HH12  ARG  71          HH12      ARG  71  -6.669   0.561  12.355
  564   HH21  ARG  71          HH21      ARG  71  -7.472  -1.796  14.808
  565   HH22  ARG  71          HH22      ARG  71  -8.831  -2.441  13.949
  566    H    LYS  72           HN       LYS  72 -11.329   1.910   6.964
  567    HA   LYS  72           HA       LYS  72 -10.746   2.773   4.353
  568    HB2  LYS  72           HB2      LYS  72 -12.077   4.772   6.042
  569    HB3  LYS  72           HB3      LYS  72 -12.618   4.026   4.549
  570    HG2  LYS  72           HG2      LYS  72 -12.749   2.711   7.254
  571    HG3  LYS  72           HG3      LYS  72 -14.085   3.573   6.489
  572    HD2  LYS  72           HD2      LYS  72 -14.003   2.010   4.607
  573    HD3  LYS  72           HD3      LYS  72 -12.681   1.140   5.387
  574    HE2  LYS  72           HE2      LYS  72 -14.174   0.683   7.308
  575    HE3  LYS  72           HE3      LYS  72 -15.492   1.464   6.435
  576    HZ1  LYS  72           HZ1      LYS  72 -14.023  -0.970   5.571
  577    HZ2  LYS  72           HZ2      LYS  72 -15.247  -0.208   4.686
  578    HZ3  LYS  72           HZ3      LYS  72 -15.601  -0.920   6.180
  579    H    GLY  73           HN       GLY  73  -8.946   3.810   3.741
  580    HA2  GLY  73           HA1      GLY  73  -7.309   5.439   3.693
  581    HA3  GLY  73           HA2      GLY  73  -8.151   6.249   5.009
  582    H    ASN  74           HN       ASN  74  -6.698   3.013   4.763
  583    HA   ASN  74           HA       ASN  74  -5.567   3.267   7.375
  584    HB2  ASN  74           HB2      ASN  74  -6.385   1.117   6.018
  585    HB3  ASN  74           HB3      ASN  74  -4.688   1.084   5.551
  586   HD21  ASN  74          HD21      ASN  74  -5.562   2.415   8.613
  587   HD22  ASN  74          HD22      ASN  74  -4.995   1.104   9.580
  588    H    LEU  75           HN       LEU  75  -3.383   3.175   7.917
  589    HA   LEU  75           HA       LEU  75  -1.713   4.781   6.233
  590    HB2  LEU  75           HB2      LEU  75  -1.384   3.539   8.941
  591    HB3  LEU  75           HB3      LEU  75  -0.038   4.311   8.138
  592    HG   LEU  75           HG       LEU  75  -2.611   5.610   9.021
  593   HD11  LEU  75          HD11      LEU  75   0.253   6.050   9.843
  594   HD12  LEU  75          HD12      LEU  75  -1.155   6.912  10.464
  595   HD13  LEU  75          HD13      LEU  75  -0.966   5.187  10.782
  596   HD21  LEU  75          HD21      LEU  75  -0.315   6.781   7.452
  597   HD22  LEU  75          HD22      LEU  75  -1.975   6.575   6.896
  598   HD23  LEU  75          HD23      LEU  75  -1.615   7.713   8.194
  599    H    LEU  76           HN       LEU  76  -0.171   4.168   4.889
  600    HA   LEU  76           HA       LEU  76   0.796   1.385   4.985
  601    HB2  LEU  76           HB2      LEU  76   0.546   2.958   2.436
  602    HB3  LEU  76           HB3      LEU  76   0.783   1.234   2.630
  603    HG   LEU  76           HG       LEU  76  -1.759   2.731   3.271
  604   HD11  LEU  76          HD11      LEU  76  -1.398   2.673   0.900
  605   HD12  LEU  76          HD12      LEU  76  -0.988   0.959   0.959
  606   HD13  LEU  76          HD13      LEU  76  -2.633   1.486   1.310
  607   HD21  LEU  76          HD21      LEU  76  -2.748   0.539   3.575
  608   HD22  LEU  76          HD22      LEU  76  -1.199  -0.233   3.237
  609   HD23  LEU  76          HD23      LEU  76  -1.397   0.750   4.687
  610    H    PHE  77           HN       PHE  77   2.965   1.190   5.075
  611    HA   PHE  77           HA       PHE  77   4.548   3.628   4.599
  612    HB2  PHE  77           HB2      PHE  77   5.175   1.163   6.246
  613    HB3  PHE  77           HB3      PHE  77   6.303   2.488   5.977
  614    HD1  PHE  77           HD1      PHE  77   6.250   4.398   7.320
  615    HD2  PHE  77           HD2      PHE  77   2.993   1.661   7.424
  616    HE1  PHE  77           HE1      PHE  77   5.312   5.593   9.256
  617    HE2  PHE  77           HE2      PHE  77   2.049   2.850   9.360
  618    HZ   PHE  77           HZ       PHE  77   3.208   4.819  10.279
  619    H    LEU  78           HN       LEU  78   5.502   3.696   2.680
  620    HA   LEU  78           HA       LEU  78   6.022   1.271   1.185
  621    HB2  LEU  78           HB2      LEU  78   5.069   3.247   0.084
  622    HB3  LEU  78           HB3      LEU  78   6.516   4.160   0.469
  623    HG   LEU  78           HG       LEU  78   7.827   2.571  -0.947
  624   HD11  LEU  78          HD11      LEU  78   5.093   1.568  -1.729
  625   HD12  LEU  78          HD12      LEU  78   6.614   1.144  -2.516
  626   HD13  LEU  78          HD13      LEU  78   6.321   0.661  -0.845
  627   HD21  LEU  78          HD21      LEU  78   7.067   3.502  -3.073
  628   HD22  LEU  78          HD22      LEU  78   5.560   4.014  -2.313
  629   HD23  LEU  78          HD23      LEU  78   7.090   4.729  -1.807
  630    H    ALA  79           HN       ALA  79   7.970   0.470   0.586
  631    HA   ALA  79           HA       ALA  79  10.434   1.821   1.316
  632    HB1  ALA  79           HB1      ALA  79   9.829  -0.916   2.429
  633    HB2  ALA  79           HB2      ALA  79  11.294   0.031   2.679
  634    HB3  ALA  79           HB3      ALA  79   9.763   0.579   3.361
  635    H    SER  80           HN       SER  80  12.361   0.351   0.643
  636    HA   SER  80           HA       SER  80  11.692  -1.439  -1.554
  637    HB2  SER  80           HB2      SER  80  13.369  -0.233  -3.038
  638    HB3  SER  80           HB3      SER  80  11.834   0.594  -2.781
  639    HG   SER  80           HG       SER  80  13.615   1.271  -0.872
  640    H    TYR  81           HN       TYR  81  13.267  -2.939  -2.046
  641    HA   TYR  81           HA       TYR  81  14.985  -3.766  -0.039
  642    HB2  TYR  81           HB2      TYR  81  14.540  -4.457  -2.838
  643    HB3  TYR  81           HB3      TYR  81  16.175  -4.789  -2.288
  644    HD1  TYR  81           HD1      TYR  81  13.135  -6.275  -2.783
  645    HD2  TYR  81           HD2      TYR  81  16.088  -5.875   0.254
  646    HE1  TYR  81           HE1      TYR  81  12.341  -8.357  -1.745
  647    HE2  TYR  81           HE2      TYR  81  15.303  -7.958   1.300
  648    HH   TYR  81           HH       TYR  81  13.184 -10.112  -0.254
  649    H    SER  82           HN       SER  82  17.316  -3.820   0.077
  650    HA   SER  82           HA       SER  82  18.492  -1.303  -0.829
  651    HB2  SER  82           HB2      SER  82  18.682  -1.815   1.557
  652    HB3  SER  82           HB3      SER  82  19.500  -3.330   1.180
  653    HG   SER  82           HG       SER  82  20.863  -1.451   1.729
  654    H    ILE  83           HN       ILE  83  20.436  -1.183  -1.949
  655    HA   ILE  83           HA       ILE  83  21.991  -1.756  -3.501
  656    HB   ILE  83           HB       ILE  83  21.844  -4.505  -2.257
  657   HG12  ILE  83          HG12      ILE  83  22.376  -2.776  -0.598
  658   HG13  ILE  83          HG13      ILE  83  23.777  -3.792  -0.919
  659   HG21  ILE  83          HG21      ILE  83  24.117  -4.775  -3.164
  660   HG22  ILE  83          HG22      ILE  83  22.908  -4.555  -4.429
  661   HG23  ILE  83          HG23      ILE  83  23.961  -3.216  -3.973
  662   HD11  ILE  83          HD11      ILE  83  23.304  -1.050  -2.069
  663   HD12  ILE  83          HD12      ILE  83  24.378  -1.438  -0.724
  664   HD13  ILE  83          HD13      ILE  83  24.723  -2.062  -2.337
  665    H    GLY  84           HN       GLY  84  20.561  -4.992  -3.419
  666    HA2  GLY  84           HA1      GLY  84  18.679  -5.452  -5.008
  667    HA3  GLY  84           HA2      GLY  84  19.605  -4.523  -6.177
  668    H    GLY  85           HN       GLY  85  20.762  -5.670  -7.571
  669    HA2  GLY  85           HA1      GLY  85  22.111  -8.098  -6.705
  670    HA3  GLY  85           HA2      GLY  85  20.868  -8.313  -7.928
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1 -28.350   2.291  -2.656
    2    H2   GLY   1           H2       GLY   1 -26.756   2.799  -2.909
    3    H3   GLY   1           H3       GLY   1 -28.036   3.651  -3.614
    4    HA2  GLY   1           HA2      GLY   1 -27.186   4.854  -1.710
    5    HA3  GLY   1           HA1      GLY   1 -28.840   4.324  -1.444
    6    H    ALA   2           HN       ALA   2 -25.503   3.171  -0.966
    7    HA   ALA   2           HA       ALA   2 -26.195   2.464   1.782
    8    HB1  ALA   2           HB1      ALA   2 -26.580   0.425   0.478
    9    HB2  ALA   2           HB2      ALA   2 -24.923   0.499  -0.119
   10    HB3  ALA   2           HB3      ALA   2 -25.230   0.239   1.596
   11    H    MET   3           HN       MET   3 -23.483   1.978  -0.485
   12    HA   MET   3           HA       MET   3 -21.272   2.482  -0.353
   13    HB2  MET   3           HB2      MET   3 -22.232   4.742   1.413
   14    HB3  MET   3           HB3      MET   3 -20.659   4.641   0.632
   15    HG2  MET   3           HG2      MET   3 -21.754   4.698  -1.559
   16    HG3  MET   3           HG3      MET   3 -23.320   4.829  -0.761
   17    HE1  MET   3           HE1      MET   3 -19.905   6.591  -1.536
   18    HE2  MET   3           HE2      MET   3 -20.036   8.066  -0.577
   19    HE3  MET   3           HE3      MET   3 -19.893   6.501   0.225
   20    H    GLY   4           HN       GLY   4 -20.437   0.739   0.710
   21    HA2  GLY   4           HA1      GLY   4 -19.263   1.144   3.240
   22    HA3  GLY   4           HA2      GLY   4 -20.708   0.164   3.437
   23    H    ASP   5           HN       ASP   5 -19.409  -0.366   0.411
   24    HA   ASP   5           HA       ASP   5 -17.579  -2.465   1.290
   25    HB2  ASP   5           HB2      ASP   5 -18.677  -4.150  -0.121
   26    HB3  ASP   5           HB3      ASP   5 -19.766  -3.566   1.132
   27    H    GLU   6           HN       GLU   6 -18.023   0.141  -0.520
   28    HA   GLU   6           HA       GLU   6 -16.907  -0.757  -3.025
   29    HB2  GLU   6           HB2      GLU   6 -17.412   2.028  -1.963
   30    HB3  GLU   6           HB3      GLU   6 -16.905   1.652  -3.604
   31    HG2  GLU   6           HG2      GLU   6 -18.973   0.399  -3.955
   32    HG3  GLU   6           HG3      GLU   6 -19.481   0.784  -2.311
   33    H    GLU   7           HN       GLU   7 -15.112   1.185  -3.695
   34    HA   GLU   7           HA       GLU   7 -12.713   0.223  -2.622
   35    HB2  GLU   7           HB2      GLU   7 -13.107   2.886  -3.991
   36    HB3  GLU   7           HB3      GLU   7 -11.620   1.955  -3.894
   37    HG2  GLU   7           HG2      GLU   7 -12.614   0.208  -5.272
   38    HG3  GLU   7           HG3      GLU   7 -14.118   1.123  -5.354
   39    H    LEU   8           HN       LEU   8 -11.255   1.048  -1.136
   40    HA   LEU   8           HA       LEU   8 -12.311   3.184   0.603
   41    HB2  LEU   8           HB2      LEU   8 -10.562   0.825   1.295
   42    HB3  LEU   8           HB3      LEU   8 -10.887   2.149   2.392
   43    HG   LEU   8           HG       LEU   8 -12.768   0.019   1.423
   44   HD11  LEU   8          HD11      LEU   8 -13.161  -0.257   3.816
   45   HD12  LEU   8          HD12      LEU   8 -11.448  -0.420   3.426
   46   HD13  LEU   8          HD13      LEU   8 -12.049   1.071   4.158
   47   HD21  LEU   8          HD21      LEU   8 -14.075   1.966   1.112
   48   HD22  LEU   8          HD22      LEU   8 -14.541   1.308   2.680
   49   HD23  LEU   8          HD23      LEU   8 -13.463   2.701   2.593
   50    HA   PRO   9           HA       PRO   9  -8.669   5.515  -0.300
   51    HB2  PRO   9           HB2      PRO   9  -8.690   6.713   2.351
   52    HB3  PRO   9           HB3      PRO   9  -9.115   7.444   0.803
   53    HG2  PRO   9           HG2      PRO   9 -10.943   6.922   2.745
   54    HG3  PRO   9           HG3      PRO   9 -11.338   6.917   1.017
   55    HD2  PRO   9           HD2      PRO   9 -10.797   4.607   2.846
   56    HD3  PRO   9           HD3      PRO   9 -12.032   4.775   1.578
   57    H    LEU  10           HN       LEU  10  -6.472   6.038   0.542
   58    HA   LEU  10           HA       LEU  10  -5.470   4.410   2.718
   59    HB2  LEU  10           HB2      LEU  10  -4.704   3.956  -0.153
   60    HB3  LEU  10           HB3      LEU  10  -3.635   3.529   1.167
   61    HG   LEU  10           HG       LEU  10  -6.433   2.460   0.924
   62   HD11  LEU  10          HD11      LEU  10  -3.867   1.153   0.041
   63   HD12  LEU  10          HD12      LEU  10  -5.477   0.436   0.001
   64   HD13  LEU  10          HD13      LEU  10  -5.099   1.812  -1.036
   65   HD21  LEU  10          HD21      LEU  10  -4.053   1.522   2.515
   66   HD22  LEU  10          HD22      LEU  10  -5.437   2.401   3.161
   67   HD23  LEU  10          HD23      LEU  10  -5.654   0.783   2.496
   68    H    PHE  11           HN       PHE  11  -3.127   4.783   3.058
   69    HA   PHE  11           HA       PHE  11  -2.326   7.481   2.185
   70    HB2  PHE  11           HB2      PHE  11  -2.352   6.303   4.950
   71    HB3  PHE  11           HB3      PHE  11  -1.294   7.651   4.542
   72    HD1  PHE  11           HD1      PHE  11  -4.382   6.791   5.883
   73    HD2  PHE  11           HD2      PHE  11  -2.560   9.626   3.292
   74    HE1  PHE  11           HE1      PHE  11  -6.232   8.356   6.304
   75    HE2  PHE  11           HE2      PHE  11  -4.398  11.201   3.705
   76    HZ   PHE  11           HZ       PHE  11  -6.252  10.546   5.260
   77    H    LEU  12           HN       LEU  12  -0.369   7.531   1.282
   78    HA   LEU  12           HA       LEU  12   1.425   5.251   1.766
   79    HB2  LEU  12           HB2      LEU  12   0.919   7.009  -0.562
   80    HB3  LEU  12           HB3      LEU  12   2.572   6.477  -0.324
   81    HG   LEU  12           HG       LEU  12   1.304   5.033  -1.878
   82   HD11  LEU  12          HD11      LEU  12   1.913   2.890  -0.815
   83   HD12  LEU  12          HD12      LEU  12   3.190   4.101  -0.701
   84   HD13  LEU  12          HD13      LEU  12   2.182   3.748   0.702
   85   HD21  LEU  12          HD21      LEU  12  -0.436   3.566  -1.024
   86   HD22  LEU  12          HD22      LEU  12  -0.322   4.330   0.562
   87   HD23  LEU  12          HD23      LEU  12  -0.898   5.256  -0.824
   88    H    VAL  13           HN       VAL  13   3.022   5.561   3.128
   89    HA   VAL  13           HA       VAL  13   4.136   8.271   3.428
   90    HB   VAL  13           HB       VAL  13   4.402   6.067   5.460
   91   HG11  VAL  13          HG11      VAL  13   5.945   7.923   5.668
   92   HG12  VAL  13          HG12      VAL  13   4.604   9.068   5.634
   93   HG13  VAL  13          HG13      VAL  13   4.776   7.950   6.988
   94   HG21  VAL  13          HG21      VAL  13   2.516   7.119   6.675
   95   HG22  VAL  13          HG22      VAL  13   2.200   8.116   5.254
   96   HG23  VAL  13          HG23      VAL  13   2.031   6.364   5.156
   97    H    GLU  14           HN       GLU  14   6.083   8.514   2.542
   98    HA   GLU  14           HA       GLU  14   7.676   6.287   1.729
   99    HB2  GLU  14           HB2      GLU  14   7.777   9.225   1.468
  100    HB3  GLU  14           HB3      GLU  14   9.334   8.416   1.446
  101    HG2  GLU  14           HG2      GLU  14   7.037   7.633  -0.322
  102    HG3  GLU  14           HG3      GLU  14   8.268   8.803  -0.787
  103    H    SER  15           HN       SER  15   9.188   5.245   2.834
  104    HA   SER  15           HA       SER  15   9.700   5.698   5.542
  105    HB2  SER  15           HB2      SER  15  11.508   4.037   5.293
  106    HB3  SER  15           HB3      SER  15  10.026   3.512   4.496
  107    HG   SER  15           HG       SER  15  11.557   3.167   3.001
  108    H    GLY  16           HN       GLY  16  11.697   6.473   2.704
  109    HA2  GLY  16           HA1      GLY  16  13.857   7.549   4.140
  110    HA3  GLY  16           HA2      GLY  16  13.472   7.913   2.464
  111    H    ASP  17           HN       ASP  17  10.899   9.042   2.937
  112    HA   ASP  17           HA       ASP  17  11.419  11.332   4.677
  113    HB2  ASP  17           HB2      ASP  17  10.722  11.556   1.741
  114    HB3  ASP  17           HB3      ASP  17  10.702  12.901   2.878
  115    H    GLU  18           HN       GLU  18   9.757  11.131   6.046
  116    HA   GLU  18           HA       GLU  18   7.249  10.028   5.410
  117    HB2  GLU  18           HB2      GLU  18   6.517  10.916   7.582
  118    HB3  GLU  18           HB3      GLU  18   8.069  10.095   7.697
  119    HG2  GLU  18           HG2      GLU  18   9.240  12.158   7.817
  120    HG3  GLU  18           HG3      GLU  18   7.783  13.066   7.420
  121    H    ALA  19           HN       ALA  19   8.569  13.078   4.745
  122    HA   ALA  19           HA       ALA  19   6.262  14.698   4.833
  123    HB1  ALA  19           HB1      ALA  19   8.496  15.650   4.716
  124    HB2  ALA  19           HB2      ALA  19   8.720  14.966   3.106
  125    HB3  ALA  19           HB3      ALA  19   7.511  16.222   3.370
  126    H    LYS  20           HN       LYS  20   7.442  12.393   2.503
  127    HA   LYS  20           HA       LYS  20   5.778  13.264   0.353
  128    HB2  LYS  20           HB2      LYS  20   6.910  10.495   0.593
  129    HB3  LYS  20           HB3      LYS  20   6.634  11.448  -0.856
  130    HG2  LYS  20           HG2      LYS  20   8.763  11.937   1.216
  131    HG3  LYS  20           HG3      LYS  20   9.001  11.261  -0.396
  132    HD2  LYS  20           HD2      LYS  20   8.104  13.388  -1.341
  133    HD3  LYS  20           HD3      LYS  20   8.079  14.047   0.295
  134    HE2  LYS  20           HE2      LYS  20  10.496  13.676   0.471
  135    HE3  LYS  20           HE3      LYS  20  10.514  13.037  -1.171
  136    HZ1  LYS  20           HZ1      LYS  20   9.746  15.799  -0.395
  137    HZ2  LYS  20           HZ2      LYS  20   9.752  15.189  -1.972
  138    HZ3  LYS  20           HZ3      LYS  20  11.206  15.346  -1.121
  139    H    ARG  21           HN       ARG  21   3.620  13.225   0.698
  140    HA   ARG  21           HA       ARG  21   2.460  10.721   1.722
  141    HB2  ARG  21           HB2      ARG  21   1.833  13.567   2.262
  142    HB3  ARG  21           HB3      ARG  21   0.468  12.470   2.130
  143    HG2  ARG  21           HG2      ARG  21   2.816  12.041   3.953
  144    HG3  ARG  21           HG3      ARG  21   1.290  12.780   4.447
  145    HD2  ARG  21           HD2      ARG  21   0.097  10.745   3.865
  146    HD3  ARG  21           HD3      ARG  21   1.594  10.014   3.283
  147    HE   ARG  21           HE       ARG  21   2.376  10.233   5.660
  148   HH11  ARG  21          HH11      ARG  21  -1.450   9.312   6.404
  149   HH12  ARG  21          HH12      ARG  21  -1.011   9.999   4.875
  150   HH21  ARG  21          HH21      ARG  21   0.154   8.930   7.993
  151   HH22  ARG  21          HH22      ARG  21   1.809   9.324   7.671
  152    H    HIS  22           HN       HIS  22   1.043   9.665   0.520
  153    HA   HIS  22           HA       HIS  22  -0.240  11.027  -1.739
  154    HB2  HIS  22           HB2      HIS  22   0.688   8.308  -2.376
  155    HB3  HIS  22           HB3      HIS  22   0.738   9.773  -3.353
  156    HD2  HIS  22           HD2      HIS  22   3.150   7.455  -1.803
  157    HE1  HIS  22           HE1      HIS  22   5.018  11.238  -1.594
  158    H    LEU  23           HN       LEU  23  -2.347  10.730  -1.510
  159    HA   LEU  23           HA       LEU  23  -3.353   8.392  -0.082
  160    HB2  LEU  23           HB2      LEU  23  -4.096  10.773   0.398
  161    HB3  LEU  23           HB3      LEU  23  -4.919  10.736  -1.144
  162    HG   LEU  23           HG       LEU  23  -5.515   8.818   1.107
  163   HD11  LEU  23          HD11      LEU  23  -5.988  11.108   1.800
  164   HD12  LEU  23          HD12      LEU  23  -6.957  11.348   0.345
  165   HD13  LEU  23          HD13      LEU  23  -7.472  10.184   1.565
  166   HD21  LEU  23          HD21      LEU  23  -6.261   7.890  -0.935
  167   HD22  LEU  23          HD22      LEU  23  -7.682   8.611  -0.182
  168   HD23  LEU  23          HD23      LEU  23  -6.867   9.445  -1.506
  169    H    LEU  24           HN       LEU  24  -4.372   6.731  -1.052
  170    HA   LEU  24           HA       LEU  24  -5.211   7.059  -3.850
  171    HB2  LEU  24           HB2      LEU  24  -3.872   4.594  -2.769
  172    HB3  LEU  24           HB3      LEU  24  -4.327   4.906  -4.427
  173    HG   LEU  24           HG       LEU  24  -2.222   6.461  -2.926
  174   HD11  LEU  24          HD11      LEU  24  -1.936   4.224  -4.926
  175   HD12  LEU  24          HD12      LEU  24  -0.617   5.220  -4.310
  176   HD13  LEU  24          HD13      LEU  24  -1.510   4.163  -3.216
  177   HD21  LEU  24          HD21      LEU  24  -2.967   6.379  -5.846
  178   HD22  LEU  24          HD22      LEU  24  -3.297   7.703  -4.730
  179   HD23  LEU  24          HD23      LEU  24  -1.633   7.295  -5.143
  180    H    GLN  25           HN       GLN  25  -7.120   6.205  -4.362
  181    HA   GLN  25           HA       GLN  25  -8.659   4.916  -2.234
  182    HB2  GLN  25           HB2      GLN  25 -10.509   5.311  -4.106
  183    HB3  GLN  25           HB3      GLN  25 -10.035   6.569  -2.972
  184    HG2  GLN  25           HG2      GLN  25 -10.102   7.552  -5.127
  185    HG3  GLN  25           HG3      GLN  25  -8.408   7.376  -4.668
  186   HE21  GLN  25          HE21      GLN  25  -7.147   5.777  -5.671
  187   HE22  GLN  25          HE22      GLN  25  -7.601   5.093  -7.191
  188    H    VAL  26           HN       VAL  26  -8.150   2.832  -2.278
  189    HA   VAL  26           HA       VAL  26  -8.900   1.314  -4.671
  190    HB   VAL  26           HB       VAL  26  -6.365   0.833  -3.101
  191   HG11  VAL  26          HG11      VAL  26  -7.353  -1.251  -3.871
  192   HG12  VAL  26          HG12      VAL  26  -7.486  -0.602  -5.505
  193   HG13  VAL  26          HG13      VAL  26  -5.897  -0.883  -4.795
  194   HG21  VAL  26          HG21      VAL  26  -6.215   2.785  -4.562
  195   HG22  VAL  26          HG22      VAL  26  -5.202   1.465  -5.145
  196   HG23  VAL  26          HG23      VAL  26  -6.745   1.804  -5.928
  197    H    ARG  27           HN       ARG  27  -9.585  -0.840  -4.278
  198    HA   ARG  27           HA       ARG  27 -11.042  -1.189  -1.883
  199    HB2  ARG  27           HB2      ARG  27 -10.305  -3.403  -3.786
  200    HB3  ARG  27           HB3      ARG  27 -11.721  -3.291  -2.753
  201    HG2  ARG  27           HG2      ARG  27 -12.580  -1.477  -4.105
  202    HG3  ARG  27           HG3      ARG  27 -11.116  -1.525  -5.092
  203    HD2  ARG  27           HD2      ARG  27 -12.831  -2.708  -6.258
  204    HD3  ARG  27           HD3      ARG  27 -11.658  -3.880  -5.673
  205    HE   ARG  27           HE       ARG  27 -13.876  -3.484  -3.890
  206   HH11  ARG  27          HH11      ARG  27 -13.812  -6.558  -6.456
  207   HH12  ARG  27          HH12      ARG  27 -12.728  -5.228  -6.680
  208   HH21  ARG  27          HH21      ARG  27 -15.282  -6.560  -4.699
  209   HH22  ARG  27          HH22      ARG  27 -15.307  -5.232  -3.586
  210    H    ARG  28           HN       ARG  28 -10.856  -2.876  -0.342
  211    HA   ARG  28           HA       ARG  28  -8.178  -3.227   0.584
  212    HB2  ARG  28           HB2      ARG  28  -9.269  -4.585   2.394
  213    HB3  ARG  28           HB3      ARG  28  -9.816  -2.918   2.271
  214    HG2  ARG  28           HG2      ARG  28 -11.531  -4.383   0.627
  215    HG3  ARG  28           HG3      ARG  28 -11.325  -5.348   2.096
  216    HD2  ARG  28           HD2      ARG  28 -11.562  -2.555   2.684
  217    HD3  ARG  28           HD3      ARG  28 -12.961  -3.120   1.767
  218    HE   ARG  28           HE       ARG  28 -12.206  -4.776   4.019
  219   HH11  ARG  28          HH11      ARG  28 -15.328  -2.274   4.176
  220   HH12  ARG  28          HH12      ARG  28 -14.174  -2.130   2.892
  221   HH21  ARG  28          HH21      ARG  28 -15.074  -3.892   5.775
  222   HH22  ARG  28          HH22      ARG  28 -13.723  -4.975   5.709
  223    H    SER  29           HN       SER  29 -10.642  -5.148  -0.947
  224    HA   SER  29           HA       SER  29  -9.342  -7.654  -0.696
  225    HB2  SER  29           HB2      SER  29 -11.740  -7.445  -1.256
  226    HB3  SER  29           HB3      SER  29 -11.304  -6.680  -2.783
  227    HG   SER  29           HG       SER  29 -11.677  -8.852  -3.158
  228    H    SER  30           HN       SER  30  -8.478  -4.859  -2.247
  229    HA   SER  30           HA       SER  30  -7.425  -5.939  -4.684
  230    HB2  SER  30           HB2      SER  30  -6.541  -3.488  -3.152
  231    HB3  SER  30           HB3      SER  30  -6.137  -3.863  -4.825
  232    HG   SER  30           HG       SER  30  -8.162  -3.424  -5.439
  233    H    SER  31           HN       SER  31  -5.703  -7.224  -4.925
  234    HA   SER  31           HA       SER  31  -4.147  -7.990  -2.684
  235    HB2  SER  31           HB2      SER  31  -2.867  -9.342  -4.247
  236    HB3  SER  31           HB3      SER  31  -4.587  -9.498  -4.594
  237    HG   SER  31           HG       SER  31  -4.041  -8.940  -6.540
  238    H    VAL  32           HN       VAL  32  -2.085  -7.519  -2.145
  239    HA   VAL  32           HA       VAL  32  -1.084  -5.008  -2.328
  240    HB   VAL  32           HB       VAL  32   0.918  -5.803  -1.416
  241   HG11  VAL  32          HG11      VAL  32  -1.088  -7.916  -0.689
  242   HG12  VAL  32          HG12      VAL  32   0.253  -7.335   0.297
  243   HG13  VAL  32          HG13      VAL  32  -1.105  -6.269  -0.063
  244   HG21  VAL  32          HG21      VAL  32   1.620  -7.326  -3.152
  245   HG22  VAL  32          HG22      VAL  32   1.683  -8.148  -1.593
  246   HG23  VAL  32          HG23      VAL  32   0.352  -8.467  -2.704
  247    H    ALA  33           HN       ALA  33  -0.694  -7.614  -4.643
  248    HA   ALA  33           HA       ALA  33   1.465  -6.536  -6.107
  249    HB1  ALA  33           HB1      ALA  33   0.788  -8.878  -6.264
  250    HB2  ALA  33           HB2      ALA  33  -0.714  -8.393  -7.051
  251    HB3  ALA  33           HB3      ALA  33   0.832  -8.111  -7.851
  252    H    GLN  34           HN       GLN  34  -2.047  -6.177  -6.473
  253    HA   GLN  34           HA       GLN  34  -1.793  -4.621  -8.888
  254    HB2  GLN  34           HB2      GLN  34  -4.217  -4.983  -7.122
  255    HB3  GLN  34           HB3      GLN  34  -4.202  -4.411  -8.783
  256    HG2  GLN  34           HG2      GLN  34  -3.528  -7.175  -7.811
  257    HG3  GLN  34           HG3      GLN  34  -4.945  -6.685  -8.738
  258   HE21  GLN  34          HE21      GLN  34  -1.536  -7.336  -8.834
  259   HE22  GLN  34          HE22      GLN  34  -1.387  -7.391 -10.554
  260    H    VAL  35           HN       VAL  35  -2.436  -4.086  -5.496
  261    HA   VAL  35           HA       VAL  35  -3.064  -1.359  -5.573
  262    HB   VAL  35           HB       VAL  35  -1.774  -3.019  -3.400
  263   HG11  VAL  35          HG11      VAL  35  -3.054  -0.307  -3.219
  264   HG12  VAL  35          HG12      VAL  35  -2.506  -1.286  -1.858
  265   HG13  VAL  35          HG13      VAL  35  -1.338  -0.669  -3.026
  266   HG21  VAL  35          HG21      VAL  35  -3.962  -3.833  -4.033
  267   HG22  VAL  35          HG22      VAL  35  -4.047  -3.061  -2.449
  268   HG23  VAL  35          HG23      VAL  35  -4.639  -2.212  -3.876
  269    H    LYS  36           HN       LYS  36  -0.001  -3.018  -4.932
  270    HA   LYS  36           HA       LYS  36   1.584  -0.702  -4.815
  271    HB2  LYS  36           HB2      LYS  36   2.094  -3.629  -5.066
  272    HB3  LYS  36           HB3      LYS  36   3.414  -2.496  -5.220
  273    HG2  LYS  36           HG2      LYS  36   2.889  -3.537  -2.921
  274    HG3  LYS  36           HG3      LYS  36   3.252  -1.827  -3.041
  275    HD2  LYS  36           HD2      LYS  36   1.105  -1.177  -2.633
  276    HD3  LYS  36           HD3      LYS  36   0.427  -2.690  -3.225
  277    HE2  LYS  36           HE2      LYS  36   1.312  -3.823  -1.215
  278    HE3  LYS  36           HE3      LYS  36   1.891  -2.265  -0.626
  279    HZ1  LYS  36           HZ1      LYS  36  -0.372  -1.465  -0.563
  280    HZ2  LYS  36           HZ2      LYS  36  -0.240  -2.879   0.355
  281    HZ3  LYS  36           HZ3      LYS  36  -0.948  -2.931  -1.181
  282    H    ALA  37           HN       ALA  37   0.446  -2.708  -7.431
  283    HA   ALA  37           HA       ALA  37   2.278  -2.015  -9.426
  284    HB1  ALA  37           HB1      ALA  37   0.479  -2.460 -11.032
  285    HB2  ALA  37           HB2      ALA  37   0.507  -3.691  -9.768
  286    HB3  ALA  37           HB3      ALA  37  -0.707  -2.413  -9.729
  287    H    MET  38           HN       MET  38  -0.560  -0.406  -8.144
  288    HA   MET  38           HA       MET  38  -0.466   1.875  -9.822
  289    HB2  MET  38           HB2      MET  38  -1.557   1.797  -7.007
  290    HB3  MET  38           HB3      MET  38  -2.065   2.838  -8.330
  291    HG2  MET  38           HG2      MET  38  -2.892   0.827  -9.520
  292    HG3  MET  38           HG3      MET  38  -2.502  -0.126  -8.090
  293    HE1  MET  38           HE1      MET  38  -4.959  -1.039  -7.930
  294    HE2  MET  38           HE2      MET  38  -6.396  -0.016  -7.919
  295    HE3  MET  38           HE3      MET  38  -5.407  -0.130  -9.373
  296    H    ILE  39           HN       ILE  39   0.852   1.047  -6.652
  297    HA   ILE  39           HA       ILE  39   1.918   3.490  -5.899
  298    HB   ILE  39           HB       ILE  39   3.027   0.719  -5.444
  299   HG12  ILE  39          HG12      ILE  39   0.837   0.995  -4.467
  300   HG13  ILE  39          HG13      ILE  39   2.040   1.025  -3.181
  301   HG21  ILE  39          HG21      ILE  39   4.845   2.204  -5.113
  302   HG22  ILE  39          HG22      ILE  39   3.836   3.337  -4.212
  303   HG23  ILE  39          HG23      ILE  39   4.225   1.762  -3.521
  304   HD11  ILE  39          HD11      ILE  39   0.683   3.425  -4.383
  305   HD12  ILE  39          HD12      ILE  39   0.326   2.696  -2.817
  306   HD13  ILE  39          HD13      ILE  39   1.891   3.457  -3.098
  307    H    GLU  40           HN       GLU  40   3.084   1.191  -8.282
  308    HA   GLU  40           HA       GLU  40   5.641   2.459  -8.635
  309    HB2  GLU  40           HB2      GLU  40   5.437   0.120  -9.192
  310    HB3  GLU  40           HB3      GLU  40   4.104   0.447 -10.292
  311    HG2  GLU  40           HG2      GLU  40   5.647   1.720 -11.731
  312    HG3  GLU  40           HG3      GLU  40   6.971   1.289 -10.651
  313    H    THR  41           HN       THR  41   2.470   2.595 -10.122
  314    HA   THR  41           HA       THR  41   3.104   4.138 -12.366
  315    HB   THR  41           HB       THR  41   0.496   4.697 -11.103
  316    HG1  THR  41           HG1      THR  41   0.960   2.082 -12.087
  317   HG21  THR  41          HG21      THR  41   0.989   5.276 -13.425
  318   HG22  THR  41          HG22      THR  41  -0.300   4.075 -13.338
  319   HG23  THR  41          HG23      THR  41   1.335   3.583 -13.776
  320    H    LYS  42           HN       LYS  42   2.888   5.003  -9.021
  321    HA   LYS  42           HA       LYS  42   2.902   7.852  -9.709
  322    HB2  LYS  42           HB2      LYS  42   2.231   6.372  -7.186
  323    HB3  LYS  42           HB3      LYS  42   2.548   8.105  -7.180
  324    HG2  LYS  42           HG2      LYS  42   0.302   8.168  -7.458
  325    HG3  LYS  42           HG3      LYS  42   0.774   8.011  -9.152
  326    HD2  LYS  42           HD2      LYS  42   0.648   5.495  -8.737
  327    HD3  LYS  42           HD3      LYS  42  -0.281   5.917  -7.299
  328    HE2  LYS  42           HE2      LYS  42  -1.721   5.429  -9.229
  329    HE3  LYS  42           HE3      LYS  42  -1.910   7.085  -8.658
  330    HZ1  LYS  42           HZ1      LYS  42  -0.264   6.245 -10.984
  331    HZ2  LYS  42           HZ2      LYS  42  -0.488   7.836 -10.451
  332    HZ3  LYS  42           HZ3      LYS  42  -1.795   6.962 -11.075
  333    H    THR  43           HN       THR  43   4.643   5.533  -7.610
  334    HA   THR  43           HA       THR  43   6.748   7.484  -7.147
  335    HB   THR  43           HB       THR  43   7.767   5.832  -5.685
  336    HG1  THR  43           HG1      THR  43   6.300   4.109  -7.161
  337   HG21  THR  43          HG21      THR  43   6.069   7.122  -4.625
  338   HG22  THR  43          HG22      THR  43   5.836   5.451  -4.108
  339   HG23  THR  43          HG23      THR  43   4.787   6.144  -5.345
  340    H    GLY  44           HN       GLY  44   6.329   4.384  -8.803
  341    HA2  GLY  44           HA1      GLY  44   7.412   3.859 -10.839
  342    HA3  GLY  44           HA2      GLY  44   8.658   5.034 -10.455
  343    H    ILE  45           HN       ILE  45   8.009   3.149  -7.757
  344    HA   ILE  45           HA       ILE  45  10.522   1.773  -8.014
  345    HB   ILE  45           HB       ILE  45   8.419   1.421  -5.873
  346   HG12  ILE  45          HG12      ILE  45   9.088   3.767  -6.038
  347   HG13  ILE  45          HG13      ILE  45   9.714   3.046  -4.564
  348   HG21  ILE  45          HG21      ILE  45  10.351   0.694  -4.507
  349   HG22  ILE  45          HG22      ILE  45  10.019  -0.371  -5.874
  350   HG23  ILE  45          HG23      ILE  45  11.357   0.775  -5.953
  351   HD11  ILE  45          HD11      ILE  45  11.352   4.502  -5.619
  352   HD12  ILE  45          HD12      ILE  45  11.909   2.830  -5.596
  353   HD13  ILE  45          HD13      ILE  45  11.281   3.529  -7.087
  354    H    ILE  46           HN       ILE  46  10.811  -0.162  -8.929
  355    HA   ILE  46           HA       ILE  46   8.635  -1.650  -9.961
  356    HB   ILE  46           HB       ILE  46  10.531  -3.450 -10.252
  357   HG12  ILE  46          HG12      ILE  46  12.103  -0.902  -9.798
  358   HG13  ILE  46          HG13      ILE  46  12.125  -2.319  -8.753
  359   HG21  ILE  46          HG21      ILE  46   9.437  -2.242 -12.050
  360   HG22  ILE  46          HG22      ILE  46  10.465  -0.840 -11.755
  361   HG23  ILE  46          HG23      ILE  46  11.174  -2.345 -12.339
  362   HD11  ILE  46          HD11      ILE  46  14.082  -2.317 -10.131
  363   HD12  ILE  46          HD12      ILE  46  13.026  -3.637 -10.634
  364   HD13  ILE  46          HD13      ILE  46  13.102  -2.157 -11.590
  365    HA   PRO  47           HA       PRO  47   7.144  -4.186  -6.684
  366    HB2  PRO  47           HB2      PRO  47   7.455  -6.300  -8.786
  367    HB3  PRO  47           HB3      PRO  47   6.105  -5.992  -7.699
  368    HG2  PRO  47           HG2      PRO  47   5.949  -5.186 -10.195
  369    HG3  PRO  47           HG3      PRO  47   5.393  -4.118  -8.890
  370    HD2  PRO  47           HD2      PRO  47   7.883  -3.991 -10.513
  371    HD3  PRO  47           HD3      PRO  47   6.900  -2.670  -9.855
  372    H    GLU  48           HN       GLU  48   9.655  -5.734  -8.671
  373    HA   GLU  48           HA       GLU  48  10.519  -7.675  -6.932
  374    HB2  GLU  48           HB2      GLU  48  12.678  -7.599  -8.110
  375    HB3  GLU  48           HB3      GLU  48  11.311  -7.542  -9.214
  376    HG2  GLU  48           HG2      GLU  48  11.593  -5.134  -9.455
  377    HG3  GLU  48           HG3      GLU  48  12.953  -5.178  -8.332
  378    H    THR  49           HN       THR  49  10.803  -4.319  -6.446
  379    HA   THR  49           HA       THR  49  12.796  -4.768  -4.321
  380    HB   THR  49           HB       THR  49  12.938  -2.090  -4.700
  381    HG1  THR  49           HG1      THR  49  12.770  -3.148  -7.328
  382   HG21  THR  49          HG21      THR  49  14.537  -4.225  -6.110
  383   HG22  THR  49          HG22      THR  49  14.863  -3.534  -4.521
  384   HG23  THR  49          HG23      THR  49  15.025  -2.536  -5.966
  385    H    GLN  50           HN       GLN  50   9.694  -3.590  -5.203
  386    HA   GLN  50           HA       GLN  50   9.100  -1.774  -3.216
  387    HB2  GLN  50           HB2      GLN  50   7.338  -3.817  -4.552
  388    HB3  GLN  50           HB3      GLN  50   6.735  -2.533  -3.524
  389    HG2  GLN  50           HG2      GLN  50   7.731  -0.884  -5.067
  390    HG3  GLN  50           HG3      GLN  50   8.206  -2.210  -6.120
  391   HE21  GLN  50          HE21      GLN  50   6.369   0.070  -6.533
  392   HE22  GLN  50          HE22      GLN  50   4.871  -0.636  -7.029
  393    H    ILE  51           HN       ILE  51   9.244  -1.950  -1.119
  394    HA   ILE  51           HA       ILE  51   8.355  -4.430   0.191
  395    HB   ILE  51           HB       ILE  51  10.560  -2.582   1.136
  396   HG12  ILE  51          HG12      ILE  51  11.249  -4.057  -0.685
  397   HG13  ILE  51          HG13      ILE  51  12.043  -4.492   0.811
  398   HG21  ILE  51          HG21      ILE  51   9.347  -3.415   3.017
  399   HG22  ILE  51          HG22      ILE  51   9.392  -5.053   2.362
  400   HG23  ILE  51          HG23      ILE  51  10.879  -4.280   2.892
  401   HD11  ILE  51          HD11      ILE  51  11.399  -6.486  -0.328
  402   HD12  ILE  51          HD12      ILE  51  10.362  -6.302   1.090
  403   HD13  ILE  51          HD13      ILE  51   9.744  -5.906  -0.516
  404    H    VAL  52           HN       VAL  52   6.340  -3.814   0.736
  405    HA   VAL  52           HA       VAL  52   5.986  -1.243   2.082
  406    HB   VAL  52           HB       VAL  52   3.488  -1.960   1.771
  407   HG11  VAL  52          HG11      VAL  52   5.179  -0.986  -0.529
  408   HG12  VAL  52          HG12      VAL  52   3.436  -0.772  -0.366
  409   HG13  VAL  52          HG13      VAL  52   4.530   0.020   0.767
  410   HG21  VAL  52          HG21      VAL  52   4.393  -3.203  -0.716
  411   HG22  VAL  52          HG22      VAL  52   4.584  -4.146   0.762
  412   HG23  VAL  52          HG23      VAL  52   2.997  -3.548   0.306
  413    H    THR  53           HN       THR  53   4.357  -1.228   3.780
  414    HA   THR  53           HA       THR  53   4.091  -3.650   5.340
  415    HB   THR  53           HB       THR  53   5.048  -1.837   7.257
  416    HG1  THR  53           HG1      THR  53   7.308  -2.002   5.896
  417   HG21  THR  53          HG21      THR  53   6.923  -3.497   7.429
  418   HG22  THR  53          HG22      THR  53   6.256  -4.300   6.006
  419   HG23  THR  53          HG23      THR  53   5.304  -4.193   7.491
  420    H    LEU  54           HN       LEU  54   2.318  -3.720   6.417
  421    HA   LEU  54           HA       LEU  54   0.661  -1.340   6.682
  422    HB2  LEU  54           HB2      LEU  54   0.230  -4.200   6.436
  423    HB3  LEU  54           HB3      LEU  54  -0.635  -3.554   7.811
  424    HG   LEU  54           HG       LEU  54  -2.056  -3.611   5.872
  425   HD11  LEU  54          HD11      LEU  54  -1.267  -0.795   6.599
  426   HD12  LEU  54          HD12      LEU  54  -2.775  -1.262   5.811
  427   HD13  LEU  54          HD13      LEU  54  -2.432  -1.806   7.454
  428   HD21  LEU  54          HD21      LEU  54  -1.575  -2.159   3.934
  429   HD22  LEU  54          HD22      LEU  54   0.037  -1.889   4.595
  430   HD23  LEU  54          HD23      LEU  54  -0.459  -3.512   4.116
  431    H    ASN  55           HN       ASN  55  -0.764  -2.097   8.995
  432    HA   ASN  55           HA       ASN  55   0.804  -1.012  11.017
  433    HB2  ASN  55           HB2      ASN  55  -0.978  -2.318  12.498
  434    HB3  ASN  55           HB3      ASN  55  -1.436  -0.916  11.533
  435   HD21  ASN  55          HD21      ASN  55  -2.446  -1.268   9.500
  436   HD22  ASN  55          HD22      ASN  55  -3.331  -2.719   9.194
  437    H    GLY  56           HN       GLY  56   2.792  -1.953  11.265
  438    HA2  GLY  56           HA1      GLY  56   4.366  -3.420  12.035
  439    HA3  GLY  56           HA2      GLY  56   3.094  -4.058  13.062
  440    H    LYS  57           HN       LYS  57   2.184  -4.364   9.836
  441    HA   LYS  57           HA       LYS  57   3.107  -7.167   9.820
  442    HB2  LYS  57           HB2      LYS  57   0.711  -6.006   8.408
  443    HB3  LYS  57           HB3      LYS  57   1.153  -7.699   8.466
  444    HG2  LYS  57           HG2      LYS  57  -0.195  -5.998  10.470
  445    HG3  LYS  57           HG3      LYS  57  -0.469  -7.686  10.040
  446    HD2  LYS  57           HD2      LYS  57   1.724  -8.193  11.177
  447    HD3  LYS  57           HD3      LYS  57   1.680  -6.542  11.779
  448    HE2  LYS  57           HE2      LYS  57  -0.462  -6.983  12.869
  449    HE3  LYS  57           HE3      LYS  57  -0.428  -8.639  12.265
  450    HZ1  LYS  57           HZ1      LYS  57   1.573  -7.454  14.113
  451    HZ2  LYS  57           HZ2      LYS  57   1.546  -9.055  13.569
  452    HZ3  LYS  57           HZ3      LYS  57   0.309  -8.484  14.571
  453    H    ARG  58           HN       ARG  58   4.044  -8.022   7.967
  454    HA   ARG  58           HA       ARG  58   4.994  -6.085   6.026
  455    HB2  ARG  58           HB2      ARG  58   5.573  -9.016   6.439
  456    HB3  ARG  58           HB3      ARG  58   6.259  -8.072   5.125
  457    HG2  ARG  58           HG2      ARG  58   6.611  -6.877   7.766
  458    HG3  ARG  58           HG3      ARG  58   7.402  -8.438   7.557
  459    HD2  ARG  58           HD2      ARG  58   8.176  -7.341   5.270
  460    HD3  ARG  58           HD3      ARG  58   7.887  -5.849   6.166
  461    HE   ARG  58           HE       ARG  58   9.452  -6.888   7.884
  462   HH11  ARG  58          HH11      ARG  58  11.366  -7.813   4.490
  463   HH12  ARG  58          HH12      ARG  58   9.666  -7.485   4.456
  464   HH21  ARG  58          HH21      ARG  58  12.516  -7.717   6.466
  465   HH22  ARG  58          HH22      ARG  58  11.691  -7.318   7.935
  466    H    LEU  59           HN       LEU  59   4.566  -6.131   3.832
  467    HA   LEU  59           HA       LEU  59   2.045  -7.371   3.111
  468    HB2  LEU  59           HB2      LEU  59   3.826  -5.320   1.880
  469    HB3  LEU  59           HB3      LEU  59   2.617  -6.099   0.892
  470    HG   LEU  59           HG       LEU  59   2.007  -3.877   1.887
  471   HD11  LEU  59          HD11      LEU  59   0.330  -6.322   2.312
  472   HD12  LEU  59          HD12      LEU  59  -0.278  -4.702   2.654
  473   HD13  LEU  59          HD13      LEU  59   0.232  -5.124   1.021
  474   HD21  LEU  59          HD21      LEU  59   1.584  -5.425   4.410
  475   HD22  LEU  59          HD22      LEU  59   3.030  -4.459   4.115
  476   HD23  LEU  59          HD23      LEU  59   1.449  -3.686   4.152
  477    H    GLU  60           HN       GLU  60   1.944  -9.308   2.255
  478    HA   GLU  60           HA       GLU  60   4.313 -10.434   0.956
  479    HB2  GLU  60           HB2      GLU  60   3.744 -12.075   2.404
  480    HB3  GLU  60           HB3      GLU  60   2.093 -11.518   2.540
  481    HG2  GLU  60           HG2      GLU  60   1.487 -12.618   0.512
  482    HG3  GLU  60           HG3      GLU  60   3.161 -13.078   0.235
  483    H    ASP  61           HN       ASP  61   4.302 -11.210  -1.106
  484    HA   ASP  61           HA       ASP  61   2.544 -10.048  -2.967
  485    HB2  ASP  61           HB2      ASP  61   4.813 -10.703  -3.577
  486    HB3  ASP  61           HB3      ASP  61   4.428 -12.396  -3.284
  487    H    GLY  62           HN       GLY  62   0.569 -10.613  -3.584
  488    HA2  GLY  62           HA1      GLY  62  -0.985 -12.239  -4.414
  489    HA3  GLY  62           HA2      GLY  62  -0.238 -13.434  -3.366
  490    H    LYS  63           HN       LYS  63  -0.198 -11.678  -1.026
  491    HA   LYS  63           HA       LYS  63  -2.761 -12.295   0.013
  492    HB2  LYS  63           HB2      LYS  63  -0.339 -11.667   1.121
  493    HB3  LYS  63           HB3      LYS  63  -1.243 -10.190   1.406
  494    HG2  LYS  63           HG2      LYS  63  -1.432 -11.654   3.309
  495    HG3  LYS  63           HG3      LYS  63  -3.001 -11.499   2.514
  496    HD2  LYS  63           HD2      LYS  63  -2.832 -13.645   1.545
  497    HD3  LYS  63           HD3      LYS  63  -1.114 -13.760   1.923
  498    HE2  LYS  63           HE2      LYS  63  -1.660 -13.815   4.318
  499    HE3  LYS  63           HE3      LYS  63  -3.376 -13.731   3.919
  500    HZ1  LYS  63           HZ1      LYS  63  -3.164 -15.838   2.747
  501    HZ2  LYS  63           HZ2      LYS  63  -2.694 -15.999   4.363
  502    HZ3  LYS  63           HZ3      LYS  63  -1.522 -15.920   3.148
  503    H    MET  64           HN       MET  64  -4.372 -10.806   0.809
  504    HA   MET  64           HA       MET  64  -4.618  -8.447  -0.904
  505    HB2  MET  64           HB2      MET  64  -6.895  -8.902   0.772
  506    HB3  MET  64           HB3      MET  64  -6.790  -8.959  -0.975
  507    HG2  MET  64           HG2      MET  64  -6.011 -11.300  -0.807
  508    HG3  MET  64           HG3      MET  64  -6.258 -11.216   0.934
  509    HE1  MET  64           HE1      MET  64  -7.897 -11.285  -2.587
  510    HE2  MET  64           HE2      MET  64  -9.605 -11.026  -2.232
  511    HE3  MET  64           HE3      MET  64  -8.449  -9.713  -2.010
  512    H    MET  65           HN       MET  65  -5.156  -6.407  -0.006
  513    HA   MET  65           HA       MET  65  -3.824  -5.847   2.434
  514    HB2  MET  65           HB2      MET  65  -3.910  -3.731   1.707
  515    HB3  MET  65           HB3      MET  65  -4.703  -4.356   0.275
  516    HG2  MET  65           HG2      MET  65  -6.774  -3.708   0.958
  517    HG3  MET  65           HG3      MET  65  -6.330  -3.638   2.654
  518    HE1  MET  65           HE1      MET  65  -7.902  -1.390   0.661
  519    HE2  MET  65           HE2      MET  65  -7.847  -1.289   2.420
  520    HE3  MET  65           HE3      MET  65  -7.312   0.077   1.442
  521    H    ALA  66           HN       ALA  66  -7.039  -6.711   1.590
  522    HA   ALA  66           HA       ALA  66  -8.391  -5.804   3.904
  523    HB1  ALA  66           HB1      ALA  66  -9.546  -6.472   1.826
  524    HB2  ALA  66           HB2      ALA  66  -9.076  -8.144   2.123
  525    HB3  ALA  66           HB3      ALA  66 -10.167  -7.324   3.240
  526    H    ASP  67           HN       ASP  67  -6.425  -8.565   3.144
  527    HA   ASP  67           HA       ASP  67  -7.167 -10.240   5.284
  528    HB2  ASP  67           HB2      ASP  67  -5.841 -11.051   3.387
  529    HB3  ASP  67           HB3      ASP  67  -4.504 -10.007   3.860
  530    H    TYR  68           HN       TYR  68  -5.326  -7.343   5.116
  531    HA   TYR  68           HA       TYR  68  -3.988  -7.787   7.660
  532    HB2  TYR  68           HB2      TYR  68  -4.020  -5.411   5.785
  533    HB3  TYR  68           HB3      TYR  68  -3.022  -5.537   7.233
  534    HD1  TYR  68           HD1      TYR  68  -3.647  -7.078   3.919
  535    HD2  TYR  68           HD2      TYR  68  -0.950  -6.674   7.182
  536    HE1  TYR  68           HE1      TYR  68  -1.895  -8.183   2.601
  537    HE2  TYR  68           HE2      TYR  68   0.811  -7.780   5.882
  538    HH   TYR  68           HH       TYR  68   0.570  -8.289   2.541
  539    H    GLY  69           HN       GLY  69  -7.023  -7.272   6.979
  540    HA2  GLY  69           HA1      GLY  69  -8.806  -6.194   7.948
  541    HA3  GLY  69           HA2      GLY  69  -7.867  -6.365   9.424
  542    H    ILE  70           HN       ILE  70  -7.156  -4.415   6.542
  543    HA   ILE  70           HA       ILE  70  -6.476  -2.171   8.152
  544    HB   ILE  70           HB       ILE  70  -6.035  -0.986   6.134
  545   HG12  ILE  70          HG12      ILE  70  -7.759  -1.295   4.611
  546   HG13  ILE  70          HG13      ILE  70  -6.473  -2.268   3.910
  547   HG21  ILE  70          HG21      ILE  70  -5.270  -3.873   5.781
  548   HG22  ILE  70          HG22      ILE  70  -4.483  -2.485   5.026
  549   HG23  ILE  70          HG23      ILE  70  -4.429  -2.683   6.777
  550   HD11  ILE  70          HD11      ILE  70  -7.471  -4.277   4.659
  551   HD12  ILE  70          HD12      ILE  70  -8.681  -3.390   5.590
  552   HD13  ILE  70          HD13      ILE  70  -8.691  -3.317   3.831
  553    H    ARG  71           HN       ARG  71  -7.448   0.043   7.145
  554    HA   ARG  71           HA       ARG  71 -10.375  -0.150   7.251
  555    HB2  ARG  71           HB2      ARG  71  -8.773   1.897   8.784
  556    HB3  ARG  71           HB3      ARG  71 -10.505   1.661   8.823
  557    HG2  ARG  71           HG2      ARG  71  -9.931   0.634  10.759
  558    HG3  ARG  71           HG3      ARG  71  -9.833  -0.726   9.644
  559    HD2  ARG  71           HD2      ARG  71  -7.509  -0.678   9.586
  560    HD3  ARG  71           HD3      ARG  71  -7.443   0.982  10.174
  561    HE   ARG  71           HE       ARG  71  -8.588  -0.701  12.134
  562   HH11  ARG  71          HH11      ARG  71  -4.598  -0.379  12.040
  563   HH12  ARG  71          HH12      ARG  71  -5.531   0.064  10.649
  564   HH21  ARG  71          HH21      ARG  71  -5.643  -1.146  13.927
  565   HH22  ARG  71          HH22      ARG  71  -7.368  -1.286  13.970
  566    H    LYS  72           HN       LYS  72 -11.341   2.114   6.827
  567    HA   LYS  72           HA       LYS  72 -10.632   2.960   4.274
  568    HB2  LYS  72           HB2      LYS  72 -12.105   4.443   6.423
  569    HB3  LYS  72           HB3      LYS  72 -12.055   4.925   4.740
  570    HG2  LYS  72           HG2      LYS  72 -13.542   3.377   4.131
  571    HG3  LYS  72           HG3      LYS  72 -12.901   2.195   5.268
  572    HD2  LYS  72           HD2      LYS  72 -13.970   3.355   7.102
  573    HD3  LYS  72           HD3      LYS  72 -14.602   4.549   5.977
  574    HE2  LYS  72           HE2      LYS  72 -15.932   2.867   4.866
  575    HE3  LYS  72           HE3      LYS  72 -15.218   1.603   5.865
  576    HZ1  LYS  72           HZ1      LYS  72 -16.927   3.829   6.842
  577    HZ2  LYS  72           HZ2      LYS  72 -16.232   2.630   7.812
  578    HZ3  LYS  72           HZ3      LYS  72 -17.407   2.215   6.667
  579    H    GLY  73           HN       GLY  73  -9.095   4.265   3.563
  580    HA2  GLY  73           HA1      GLY  73  -7.212   5.589   3.574
  581    HA3  GLY  73           HA2      GLY  73  -8.065   6.528   4.791
  582    H    ASN  74           HN       ASN  74  -6.719   3.208   4.861
  583    HA   ASN  74           HA       ASN  74  -5.685   3.606   7.474
  584    HB2  ASN  74           HB2      ASN  74  -6.357   1.375   6.188
  585    HB3  ASN  74           HB3      ASN  74  -4.653   1.401   5.746
  586   HD21  ASN  74          HD21      ASN  74  -5.802   2.737   8.740
  587   HD22  ASN  74          HD22      ASN  74  -5.133   1.524   9.770
  588    H    LEU  75           HN       LEU  75  -3.371   3.188   7.987
  589    HA   LEU  75           HA       LEU  75  -1.728   4.939   6.350
  590    HB2  LEU  75           HB2      LEU  75  -1.438   3.772   9.099
  591    HB3  LEU  75           HB3      LEU  75  -0.081   4.528   8.297
  592    HG   LEU  75           HG       LEU  75  -2.672   5.836   9.114
  593   HD11  LEU  75          HD11      LEU  75   0.186   6.337   9.929
  594   HD12  LEU  75          HD12      LEU  75  -1.235   7.200  10.519
  595   HD13  LEU  75          HD13      LEU  75  -1.023   5.488  10.893
  596   HD21  LEU  75          HD21      LEU  75  -2.037   6.736   6.959
  597   HD22  LEU  75          HD22      LEU  75  -1.695   7.920   8.220
  598   HD23  LEU  75          HD23      LEU  75  -0.382   6.979   7.515
  599    H    LEU  76           HN       LEU  76  -0.150   4.301   5.048
  600    HA   LEU  76           HA       LEU  76   0.800   1.517   5.230
  601    HB2  LEU  76           HB2      LEU  76   0.558   3.036   2.643
  602    HB3  LEU  76           HB3      LEU  76   0.842   1.322   2.865
  603    HG   LEU  76           HG       LEU  76  -1.743   2.757   3.484
  604   HD11  LEU  76          HD11      LEU  76  -0.948   0.956   1.202
  605   HD12  LEU  76          HD12      LEU  76  -2.598   1.472   1.549
  606   HD13  LEU  76          HD13      LEU  76  -1.376   2.664   1.109
  607   HD21  LEU  76          HD21      LEU  76  -2.644   0.465   3.716
  608   HD22  LEU  76          HD22      LEU  76  -1.001  -0.162   3.588
  609   HD23  LEU  76          HD23      LEU  76  -1.448   0.865   4.950
  610    H    PHE  77           HN       PHE  77   2.976   1.157   4.553
  611    HA   PHE  77           HA       PHE  77   4.617   3.599   4.399
  612    HB2  PHE  77           HB2      PHE  77   5.043   1.120   6.057
  613    HB3  PHE  77           HB3      PHE  77   6.393   2.155   5.604
  614    HD1  PHE  77           HD1      PHE  77   6.881   4.079   6.834
  615    HD2  PHE  77           HD2      PHE  77   3.116   2.160   7.333
  616    HE1  PHE  77           HE1      PHE  77   6.392   5.544   8.749
  617    HE2  PHE  77           HE2      PHE  77   2.619   3.622   9.247
  618    HZ   PHE  77           HZ       PHE  77   4.281   5.321   9.961
  619    H    LEU  78           HN       LEU  78   5.975   3.688   2.716
  620    HA   LEU  78           HA       LEU  78   6.294   1.261   1.097
  621    HB2  LEU  78           HB2      LEU  78   5.280   3.217  -0.010
  622    HB3  LEU  78           HB3      LEU  78   6.724   4.152   0.331
  623    HG   LEU  78           HG       LEU  78   8.032   2.610  -1.101
  624   HD11  LEU  78          HD11      LEU  78   5.335   1.409  -1.711
  625   HD12  LEU  78          HD12      LEU  78   6.831   1.062  -2.581
  626   HD13  LEU  78          HD13      LEU  78   6.674   0.613  -0.882
  627   HD21  LEU  78          HD21      LEU  78   7.105   3.383  -3.243
  628   HD22  LEU  78          HD22      LEU  78   5.634   3.886  -2.411
  629   HD23  LEU  78          HD23      LEU  78   7.170   4.671  -2.041
  630    H    ALA  79           HN       ALA  79   8.270   0.504   0.495
  631    HA   ALA  79           HA       ALA  79  10.702   1.928   1.168
  632    HB1  ALA  79           HB1      ALA  79  11.592   0.275   2.653
  633    HB2  ALA  79           HB2      ALA  79  10.023   0.782   3.280
  634    HB3  ALA  79           HB3      ALA  79  10.178  -0.757   2.430
  635    H    SER  80           HN       SER  80  12.660   0.458   0.599
  636    HA   SER  80           HA       SER  80  11.979  -1.429  -1.535
  637    HB2  SER  80           HB2      SER  80  14.061   0.734  -1.899
  638    HB3  SER  80           HB3      SER  80  13.547  -0.461  -3.089
  639    HG   SER  80           HG       SER  80  11.903   0.753  -3.567
  640    H    TYR  81           HN       TYR  81  13.700  -2.893  -2.096
  641    HA   TYR  81           HA       TYR  81  15.013  -3.995   0.082
  642    HB2  TYR  81           HB2      TYR  81  14.859  -4.489  -2.740
  643    HB3  TYR  81           HB3      TYR  81  16.512  -4.719  -2.187
  644    HD1  TYR  81           HD1      TYR  81  13.290  -6.189  -2.469
  645    HD2  TYR  81           HD2      TYR  81  16.834  -6.236  -0.113
  646    HE1  TYR  81           HE1      TYR  81  12.684  -8.414  -1.609
  647    HE2  TYR  81           HE2      TYR  81  16.239  -8.459   0.750
  648    HH   TYR  81           HH       TYR  81  13.824 -10.381  -0.624
  649    H    SER  82           HN       SER  82  16.100  -1.566  -2.198
  650    HA   SER  82           HA       SER  82  17.950  -0.244  -2.285
  651    HB2  SER  82           HB2      SER  82  18.099  -0.904   0.667
  652    HB3  SER  82           HB3      SER  82  18.953   0.416  -0.131
  653    HG   SER  82           HG       SER  82  17.005   1.400  -0.556
  654    H    ILE  83           HN       ILE  83  18.168  -3.211  -2.598
  655    HA   ILE  83           HA       ILE  83  19.772  -4.754  -3.054
  656    HB   ILE  83           HB       ILE  83  21.784  -2.526  -2.761
  657   HG12  ILE  83          HG12      ILE  83  20.018  -1.790  -4.278
  658   HG13  ILE  83          HG13      ILE  83  21.483  -2.147  -5.184
  659   HG21  ILE  83          HG21      ILE  83  23.072  -3.849  -4.381
  660   HG22  ILE  83          HG22      ILE  83  22.748  -4.747  -2.898
  661   HG23  ILE  83          HG23      ILE  83  21.814  -5.086  -4.355
  662   HD11  ILE  83          HD11      ILE  83  19.550  -2.962  -6.367
  663   HD12  ILE  83          HD12      ILE  83  20.531  -4.321  -5.820
  664   HD13  ILE  83          HD13      ILE  83  19.049  -3.901  -4.960
  665    H    GLY  84           HN       GLY  84  19.751  -6.118  -1.348
  666    HA2  GLY  84           HA1      GLY  84  21.889  -5.821   0.602
  667    HA3  GLY  84           HA2      GLY  84  20.259  -5.835   1.257
  668    H    GLY  85           HN       GLY  85  22.329  -7.734   1.813
  669    HA2  GLY  85           HA1      GLY  85  21.095 -10.094   2.006
  670    HA3  GLY  85           HA2      GLY  85  21.625 -10.136   0.331
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1 -16.435  13.585  -1.184
    2    H2   GLY   1           H2       GLY   1 -16.309  15.272  -1.183
    3    H3   GLY   1           H3       GLY   1 -14.913  14.320  -1.095
    4    HA2  GLY   1           HA2      GLY   1 -16.767  14.492  -3.409
    5    HA3  GLY   1           HA1      GLY   1 -15.173  15.224  -3.315
    6    H    ALA   2           HN       ALA   2 -16.777  12.762  -4.654
    7    HA   ALA   2           HA       ALA   2 -16.196  10.815  -5.668
    8    HB1  ALA   2           HB1      ALA   2 -13.368  11.745  -5.184
    9    HB2  ALA   2           HB2      ALA   2 -13.880  10.504  -6.329
   10    HB3  ALA   2           HB3      ALA   2 -14.367  12.182  -6.570
   11    H    MET   3           HN       MET   3 -16.897   9.219  -4.359
   12    HA   MET   3           HA       MET   3 -15.077   8.301  -2.231
   13    HB2  MET   3           HB2      MET   3 -17.207   9.055  -1.337
   14    HB3  MET   3           HB3      MET   3 -18.078   8.015  -2.454
   15    HG2  MET   3           HG2      MET   3 -17.163   6.047  -1.363
   16    HG3  MET   3           HG3      MET   3 -16.240   7.071  -0.265
   17    HE1  MET   3           HE1      MET   3 -18.302   4.708   0.646
   18    HE2  MET   3           HE2      MET   3 -17.270   5.649   1.722
   19    HE3  MET   3           HE3      MET   3 -18.997   5.513   2.053
   20    H    GLY   4           HN       GLY   4 -17.694   6.918  -4.230
   21    HA2  GLY   4           HA1      GLY   4 -16.969   5.244  -5.935
   22    HA3  GLY   4           HA2      GLY   4 -15.952   4.571  -4.671
   23    H    ASP   5           HN       ASP   5 -16.735   2.745  -3.878
   24    HA   ASP   5           HA       ASP   5 -19.405   2.567  -2.879
   25    HB2  ASP   5           HB2      ASP   5 -20.085   0.638  -4.320
   26    HB3  ASP   5           HB3      ASP   5 -19.980   2.169  -5.182
   27    H    GLU   6           HN       GLU   6 -16.768   0.475  -4.080
   28    HA   GLU   6           HA       GLU   6 -16.888  -0.979  -1.529
   29    HB2  GLU   6           HB2      GLU   6 -17.304  -2.636  -3.049
   30    HB3  GLU   6           HB3      GLU   6 -16.437  -1.818  -4.340
   31    HG2  GLU   6           HG2      GLU   6 -14.321  -2.471  -3.344
   32    HG3  GLU   6           HG3      GLU   6 -15.178  -3.285  -2.034
   33    H    GLU   7           HN       GLU   7 -14.824   0.684  -3.806
   34    HA   GLU   7           HA       GLU   7 -12.309  -0.039  -2.872
   35    HB2  GLU   7           HB2      GLU   7 -13.127   2.683  -3.896
   36    HB3  GLU   7           HB3      GLU   7 -11.500   2.018  -3.878
   37    HG2  GLU   7           HG2      GLU   7 -12.215   0.270  -5.445
   38    HG3  GLU   7           HG3      GLU   7 -13.824   0.987  -5.488
   39    H    LEU   8           HN       LEU   8 -10.771   1.435  -1.700
   40    HA   LEU   8           HA       LEU   8 -11.978   3.049   0.398
   41    HB2  LEU   8           HB2      LEU   8 -10.244   0.650   0.990
   42    HB3  LEU   8           HB3      LEU   8 -10.700   1.864   2.168
   43    HG   LEU   8           HG       LEU   8 -12.633   0.060   0.710
   44   HD11  LEU   8          HD11      LEU   8 -11.673  -0.036   3.567
   45   HD12  LEU   8          HD12      LEU   8 -12.867  -1.102   2.825
   46   HD13  LEU   8          HD13      LEU   8 -11.187  -1.151   2.289
   47   HD21  LEU   8          HD21      LEU   8 -13.070   1.953   3.020
   48   HD22  LEU   8          HD22      LEU   8 -13.582   2.235   1.357
   49   HD23  LEU   8          HD23      LEU   8 -14.282   0.906   2.281
   50    HA   PRO   9           HA       PRO   9  -8.372   5.438  -0.493
   51    HB2  PRO   9           HB2      PRO   9  -8.250   6.953   1.769
   52    HB3  PRO   9           HB3      PRO   9  -9.400   7.244   0.460
   53    HG2  PRO   9           HG2      PRO   9  -9.812   5.852   3.071
   54    HG3  PRO   9           HG3      PRO   9 -10.887   6.970   2.214
   55    HD2  PRO   9           HD2      PRO   9 -11.235   4.280   2.186
   56    HD3  PRO   9           HD3      PRO   9 -11.697   5.322   0.828
   57    H    LEU  10           HN       LEU  10  -6.195   5.914   0.308
   58    HA   LEU  10           HA       LEU  10  -5.271   4.394   2.600
   59    HB2  LEU  10           HB2      LEU  10  -4.402   3.806  -0.219
   60    HB3  LEU  10           HB3      LEU  10  -3.429   3.382   1.176
   61    HG   LEU  10           HG       LEU  10  -6.257   2.435   0.833
   62   HD11  LEU  10          HD11      LEU  10  -5.357   0.330   0.020
   63   HD12  LEU  10          HD12      LEU  10  -4.919   1.653  -1.059
   64   HD13  LEU  10          HD13      LEU  10  -3.726   0.998   0.059
   65   HD21  LEU  10          HD21      LEU  10  -5.419   2.366   3.101
   66   HD22  LEU  10          HD22      LEU  10  -5.562   0.732   2.456
   67   HD23  LEU  10          HD23      LEU  10  -3.981   1.501   2.566
   68    H    PHE  11           HN       PHE  11  -2.900   4.720   2.931
   69    HA   PHE  11           HA       PHE  11  -2.087   7.402   2.023
   70    HB2  PHE  11           HB2      PHE  11  -2.126   6.273   4.811
   71    HB3  PHE  11           HB3      PHE  11  -1.136   7.665   4.386
   72    HD1  PHE  11           HD1      PHE  11  -4.369   6.497   5.333
   73    HD2  PHE  11           HD2      PHE  11  -2.314   9.724   3.472
   74    HE1  PHE  11           HE1      PHE  11  -6.308   7.951   5.732
   75    HE2  PHE  11           HE2      PHE  11  -4.251  11.189   3.865
   76    HZ   PHE  11           HZ       PHE  11  -6.253  10.305   4.997
   77    H    LEU  12           HN       LEU  12  -0.378   6.972   0.743
   78    HA   LEU  12           HA       LEU  12   1.515   4.898   1.436
   79    HB2  LEU  12           HB2      LEU  12   0.671   5.450  -0.905
   80    HB3  LEU  12           HB3      LEU  12   1.674   6.882  -0.828
   81    HG   LEU  12           HG       LEU  12   2.662   4.987  -2.090
   82   HD11  LEU  12          HD11      LEU  12   4.879   5.250  -1.224
   83   HD12  LEU  12          HD12      LEU  12   4.026   6.784  -1.070
   84   HD13  LEU  12          HD13      LEU  12   4.255   5.756   0.344
   85   HD21  LEU  12          HD21      LEU  12   2.878   3.694   0.623
   86   HD22  LEU  12          HD22      LEU  12   1.830   3.163  -0.692
   87   HD23  LEU  12          HD23      LEU  12   3.582   3.091  -0.878
   88    H    VAL  13           HN       VAL  13   2.780   5.485   3.145
   89    HA   VAL  13           HA       VAL  13   3.930   8.176   3.195
   90    HB   VAL  13           HB       VAL  13   4.122   6.061   5.337
   91   HG11  VAL  13          HG11      VAL  13   4.617   7.962   6.794
   92   HG12  VAL  13          HG12      VAL  13   5.786   7.830   5.482
   93   HG13  VAL  13          HG13      VAL  13   4.515   9.050   5.410
   94   HG21  VAL  13          HG21      VAL  13   2.285   7.273   6.459
   95   HG22  VAL  13          HG22      VAL  13   2.078   8.255   5.008
   96   HG23  VAL  13          HG23      VAL  13   1.783   6.516   4.947
   97    H    GLU  14           HN       GLU  14   5.786   8.362   2.118
   98    HA   GLU  14           HA       GLU  14   7.508   6.220   1.498
   99    HB2  GLU  14           HB2      GLU  14   7.559   9.161   1.222
  100    HB3  GLU  14           HB3      GLU  14   9.126   8.370   1.228
  101    HG2  GLU  14           HG2      GLU  14   6.882   7.520  -0.571
  102    HG3  GLU  14           HG3      GLU  14   8.062   8.748  -1.019
  103    H    SER  15           HN       SER  15   9.172   5.313   2.543
  104    HA   SER  15           HA       SER  15   9.601   5.847   5.293
  105    HB2  SER  15           HB2      SER  15   9.890   3.601   4.402
  106    HB3  SER  15           HB3      SER  15  11.196   4.160   3.356
  107    HG   SER  15           HG       SER  15  12.419   3.649   4.984
  108    H    GLY  16           HN       GLY  16  11.682   6.342   2.444
  109    HA2  GLY  16           HA1      GLY  16  13.849   7.456   3.784
  110    HA3  GLY  16           HA2      GLY  16  13.434   7.790   2.109
  111    H    ASP  17           HN       ASP  17  10.903   8.994   2.616
  112    HA   ASP  17           HA       ASP  17  11.436  11.264   4.355
  113    HB2  ASP  17           HB2      ASP  17  10.978  11.558   1.379
  114    HB3  ASP  17           HB3      ASP  17  10.898  12.887   2.529
  115    H    GLU  18           HN       GLU  18   9.680  11.182   5.592
  116    HA   GLU  18           HA       GLU  18   7.208  10.100   4.907
  117    HB2  GLU  18           HB2      GLU  18   6.356  11.134   6.927
  118    HB3  GLU  18           HB3      GLU  18   7.959  10.476   7.218
  119    HG2  GLU  18           HG2      GLU  18   8.942  12.655   7.093
  120    HG3  GLU  18           HG3      GLU  18   7.401  13.359   6.606
  121    H    ALA  19           HN       ALA  19   8.543  13.196   4.215
  122    HA   ALA  19           HA       ALA  19   6.154  14.658   3.855
  123    HB1  ALA  19           HB1      ALA  19   8.335  15.733   4.087
  124    HB2  ALA  19           HB2      ALA  19   8.837  15.058   2.536
  125    HB3  ALA  19           HB3      ALA  19   7.528  16.238   2.602
  126    H    LYS  20           HN       LYS  20   7.974  12.509   1.764
  127    HA   LYS  20           HA       LYS  20   6.421  13.156  -0.566
  128    HB2  LYS  20           HB2      LYS  20   8.220  10.766  -0.314
  129    HB3  LYS  20           HB3      LYS  20   7.839  11.709  -1.748
  130    HG2  LYS  20           HG2      LYS  20   9.573  12.552   0.561
  131    HG3  LYS  20           HG3      LYS  20  10.098  12.160  -1.077
  132    HD2  LYS  20           HD2      LYS  20   8.731  14.070  -1.899
  133    HD3  LYS  20           HD3      LYS  20   8.384  14.492  -0.224
  134    HE2  LYS  20           HE2      LYS  20  10.792  14.760   0.191
  135    HE3  LYS  20           HE3      LYS  20  11.115  14.379  -1.501
  136    HZ1  LYS  20           HZ1      LYS  20   9.854  16.334  -2.146
  137    HZ2  LYS  20           HZ2      LYS  20  11.117  16.764  -1.107
  138    HZ3  LYS  20           HZ3      LYS  20   9.531  16.696  -0.525
  139    H    ARG  21           HN       ARG  21   4.490  12.567   1.016
  140    HA   ARG  21           HA       ARG  21   3.855   9.715   0.709
  141    HB2  ARG  21           HB2      ARG  21   2.106  10.108   2.406
  142    HB3  ARG  21           HB3      ARG  21   3.706  10.507   2.989
  143    HG2  ARG  21           HG2      ARG  21   2.569  12.307   3.760
  144    HG3  ARG  21           HG3      ARG  21   3.040  12.909   2.167
  145    HD2  ARG  21           HD2      ARG  21   0.850  11.845   1.380
  146    HD3  ARG  21           HD3      ARG  21   0.402  11.870   3.083
  147    HE   ARG  21           HE       ARG  21   1.325  14.419   2.323
  148   HH11  ARG  21          HH11      ARG  21  -2.520  13.581   1.583
  149   HH12  ARG  21          HH12      ARG  21  -1.396  12.292   1.855
  150   HH21  ARG  21          HH21      ARG  21  -1.812  15.755   1.644
  151   HH22  ARG  21          HH22      ARG  21  -0.150  16.120   1.965
  152    H    HIS  22           HN       HIS  22   1.671   9.132   0.027
  153    HA   HIS  22           HA       HIS  22   0.207  11.185  -1.448
  154    HB2  HIS  22           HB2      HIS  22   0.689   8.699  -2.991
  155    HB3  HIS  22           HB3      HIS  22   0.558  10.364  -3.549
  156    HD2  HIS  22           HD2      HIS  22   3.188   7.741  -3.170
  157    HE1  HIS  22           HE1      HIS  22   5.209  11.441  -2.811
  158    H    LEU  23           HN       LEU  23  -1.929  10.917  -1.295
  159    HA   LEU  23           HA       LEU  23  -2.985   8.492  -0.067
  160    HB2  LEU  23           HB2      LEU  23  -3.616  10.928   0.538
  161    HB3  LEU  23           HB3      LEU  23  -4.586  10.893  -0.918
  162    HG   LEU  23           HG       LEU  23  -4.932   9.040   1.445
  163   HD11  LEU  23          HD11      LEU  23  -6.586  11.388   0.540
  164   HD12  LEU  23          HD12      LEU  23  -6.967  10.303   1.876
  165   HD13  LEU  23          HD13      LEU  23  -5.546  11.344   1.964
  166   HD21  LEU  23          HD21      LEU  23  -6.475   9.356  -1.122
  167   HD22  LEU  23          HD22      LEU  23  -5.670   7.909  -0.514
  168   HD23  LEU  23          HD23      LEU  23  -7.107   8.527   0.301
  169    H    LEU  24           HN       LEU  24  -3.903   6.891  -1.216
  170    HA   LEU  24           HA       LEU  24  -5.014   7.524  -3.856
  171    HB2  LEU  24           HB2      LEU  24  -3.355   5.075  -3.354
  172    HB3  LEU  24           HB3      LEU  24  -3.938   5.686  -4.884
  173    HG   LEU  24           HG       LEU  24  -1.938   7.179  -3.202
  174   HD11  LEU  24          HD11      LEU  24  -1.429   5.270  -5.480
  175   HD12  LEU  24          HD12      LEU  24  -0.225   6.308  -4.718
  176   HD13  LEU  24          HD13      LEU  24  -0.990   5.017  -3.791
  177   HD21  LEU  24          HD21      LEU  24  -1.515   8.390  -5.248
  178   HD22  LEU  24          HD22      LEU  24  -2.654   7.366  -6.122
  179   HD23  LEU  24          HD23      LEU  24  -3.236   8.456  -4.866
  180    H    GLN  25           HN       GLN  25  -6.870   6.539  -4.333
  181    HA   GLN  25           HA       GLN  25  -8.111   4.850  -2.368
  182    HB2  GLN  25           HB2      GLN  25  -8.930   6.479  -4.620
  183    HB3  GLN  25           HB3      GLN  25  -9.799   4.961  -4.537
  184    HG2  GLN  25           HG2      GLN  25  -9.484   6.575  -2.074
  185    HG3  GLN  25           HG3      GLN  25 -10.652   7.076  -3.292
  186   HE21  GLN  25          HE21      GLN  25  -9.861   3.751  -2.954
  187   HE22  GLN  25          HE22      GLN  25 -11.321   3.241  -2.206
  188    H    VAL  26           HN       VAL  26  -8.216   2.753  -2.395
  189    HA   VAL  26           HA       VAL  26  -8.272   1.212  -4.844
  190    HB   VAL  26           HB       VAL  26  -6.300   0.012  -3.060
  191   HG11  VAL  26          HG11      VAL  26  -5.071  -0.187  -5.225
  192   HG12  VAL  26          HG12      VAL  26  -6.697  -0.874  -5.236
  193   HG13  VAL  26          HG13      VAL  26  -6.395   0.691  -5.993
  194   HG21  VAL  26          HG21      VAL  26  -5.768   2.413  -2.708
  195   HG22  VAL  26          HG22      VAL  26  -4.469   1.516  -3.496
  196   HG23  VAL  26          HG23      VAL  26  -5.512   2.575  -4.444
  197    H    ARG  27           HN       ARG  27  -9.152  -0.843  -4.571
  198    HA   ARG  27           HA       ARG  27 -10.897  -1.191  -2.394
  199    HB2  ARG  27           HB2      ARG  27  -9.925  -3.436  -4.154
  200    HB3  ARG  27           HB3      ARG  27 -11.482  -3.282  -3.353
  201    HG2  ARG  27           HG2      ARG  27 -12.203  -1.620  -4.852
  202    HG3  ARG  27           HG3      ARG  27 -10.572  -1.394  -5.481
  203    HD2  ARG  27           HD2      ARG  27 -10.612  -3.595  -6.485
  204    HD3  ARG  27           HD3      ARG  27 -12.195  -3.917  -5.777
  205    HE   ARG  27           HE       ARG  27 -12.771  -1.786  -7.214
  206   HH11  ARG  27          HH11      ARG  27 -11.142  -4.418  -9.757
  207   HH12  ARG  27          HH12      ARG  27 -10.786  -4.523  -8.066
  208   HH21  ARG  27          HH21      ARG  27 -12.538  -2.781 -10.538
  209   HH22  ARG  27          HH22      ARG  27 -13.245  -1.643  -9.440
  210    H    ARG  28           HN       ARG  28 -10.865  -2.678  -0.695
  211    HA   ARG  28           HA       ARG  28  -8.313  -3.059   0.483
  212    HB2  ARG  28           HB2      ARG  28  -9.719  -4.519   2.130
  213    HB3  ARG  28           HB3      ARG  28  -9.891  -2.776   2.134
  214    HG2  ARG  28           HG2      ARG  28 -11.986  -2.836   1.343
  215    HG3  ARG  28           HG3      ARG  28 -11.708  -4.284   0.367
  216    HD2  ARG  28           HD2      ARG  28 -11.503  -5.485   2.622
  217    HD3  ARG  28           HD3      ARG  28 -12.275  -4.056   3.300
  218    HE   ARG  28           HE       ARG  28 -13.646  -5.306   1.068
  219   HH11  ARG  28          HH11      ARG  28 -14.951  -5.555   4.844
  220   HH12  ARG  28          HH12      ARG  28 -13.353  -4.970   4.522
  221   HH21  ARG  28          HH21      ARG  28 -16.315  -6.184   3.118
  222   HH22  ARG  28          HH22      ARG  28 -15.754  -6.079   1.482
  223    H    SER  29           HN       SER  29 -10.596  -5.082  -1.213
  224    HA   SER  29           HA       SER  29  -9.283  -7.549  -0.710
  225    HB2  SER  29           HB2      SER  29 -11.104  -6.746  -2.989
  226    HB3  SER  29           HB3      SER  29 -10.662  -8.400  -2.571
  227    HG   SER  29           HG       SER  29 -12.363  -6.616  -1.249
  228    H    SER  30           HN       SER  30  -8.362  -4.866  -2.471
  229    HA   SER  30           HA       SER  30  -7.144  -6.052  -4.736
  230    HB2  SER  30           HB2      SER  30  -6.268  -3.561  -3.263
  231    HB3  SER  30           HB3      SER  30  -5.841  -4.006  -4.914
  232    HG   SER  30           HG       SER  30  -8.183  -3.957  -5.319
  233    H    SER  31           HN       SER  31  -5.535  -7.476  -4.740
  234    HA   SER  31           HA       SER  31  -3.983  -8.068  -2.474
  235    HB2  SER  31           HB2      SER  31  -3.373  -8.638  -5.379
  236    HB3  SER  31           HB3      SER  31  -2.596  -9.409  -4.000
  237    HG   SER  31           HG       SER  31  -4.602 -10.369  -5.170
  238    H    VAL  32           HN       VAL  32  -1.839  -7.559  -2.003
  239    HA   VAL  32           HA       VAL  32  -1.001  -5.000  -2.184
  240    HB   VAL  32           HB       VAL  32   1.090  -5.668  -1.390
  241   HG11  VAL  32          HG11      VAL  32   0.611  -7.103   0.371
  242   HG12  VAL  32          HG12      VAL  32  -0.961  -6.435  -0.068
  243   HG13  VAL  32          HG13      VAL  32  -0.513  -8.057  -0.595
  244   HG21  VAL  32          HG21      VAL  32   0.674  -8.319  -2.748
  245   HG22  VAL  32          HG22      VAL  32   1.830  -7.068  -3.202
  246   HG23  VAL  32          HG23      VAL  32   2.025  -7.937  -1.680
  247    H    ALA  33           HN       ALA  33  -0.574  -7.505  -4.602
  248    HA   ALA  33           HA       ALA  33   1.423  -6.257  -6.145
  249    HB1  ALA  33           HB1      ALA  33   0.761  -7.771  -7.921
  250    HB2  ALA  33           HB2      ALA  33   0.807  -8.619  -6.376
  251    HB3  ALA  33           HB3      ALA  33  -0.740  -8.139  -7.074
  252    H    GLN  34           HN       GLN  34  -2.099  -5.939  -6.176
  253    HA   GLN  34           HA       GLN  34  -2.125  -4.331  -8.558
  254    HB2  GLN  34           HB2      GLN  34  -4.284  -4.833  -6.508
  255    HB3  GLN  34           HB3      GLN  34  -4.520  -4.035  -8.056
  256    HG2  GLN  34           HG2      GLN  34  -3.630  -6.882  -7.660
  257    HG3  GLN  34           HG3      GLN  34  -5.248  -6.356  -8.117
  258   HE21  GLN  34          HE21      GLN  34  -3.360  -8.089  -9.522
  259   HE22  GLN  34          HE22      GLN  34  -3.110  -7.364 -11.070
  260    H    VAL  35           HN       VAL  35  -2.615  -3.691  -5.093
  261    HA   VAL  35           HA       VAL  35  -3.089  -0.963  -5.311
  262    HB   VAL  35           HB       VAL  35  -1.683  -1.512  -2.884
  263   HG11  VAL  35          HG11      VAL  35  -4.623  -1.244  -3.416
  264   HG12  VAL  35          HG12      VAL  35  -3.812  -0.960  -1.877
  265   HG13  VAL  35          HG13      VAL  35  -3.504   0.112  -3.246
  266   HG21  VAL  35          HG21      VAL  35  -2.092  -3.880  -3.277
  267   HG22  VAL  35          HG22      VAL  35  -3.065  -3.277  -1.938
  268   HG23  VAL  35          HG23      VAL  35  -3.813  -3.538  -3.511
  269    H    LYS  36           HN       LYS  36  -0.098  -2.807  -4.895
  270    HA   LYS  36           HA       LYS  36   1.607  -0.562  -4.791
  271    HB2  LYS  36           HB2      LYS  36   1.959  -3.498  -5.177
  272    HB3  LYS  36           HB3      LYS  36   3.312  -2.421  -5.419
  273    HG2  LYS  36           HG2      LYS  36   2.986  -3.508  -3.125
  274    HG3  LYS  36           HG3      LYS  36   3.363  -1.801  -3.212
  275    HD2  LYS  36           HD2      LYS  36   1.360  -1.166  -2.414
  276    HD3  LYS  36           HD3      LYS  36   0.516  -2.481  -3.223
  277    HE2  LYS  36           HE2      LYS  36   1.323  -4.044  -1.536
  278    HE3  LYS  36           HE3      LYS  36   2.197  -2.743  -0.736
  279    HZ1  LYS  36           HZ1      LYS  36   0.108  -3.176   0.371
  280    HZ2  LYS  36           HZ2      LYS  36  -0.749  -2.917  -1.063
  281    HZ3  LYS  36           HZ3      LYS  36   0.075  -1.636  -0.330
  282    H    ALA  37           HN       ALA  37   0.201  -2.446  -7.365
  283    HA   ALA  37           HA       ALA  37   1.913  -1.823  -9.470
  284    HB1  ALA  37           HB1      ALA  37  -1.099  -2.040  -9.602
  285    HB2  ALA  37           HB2      ALA  37   0.024  -2.211 -10.950
  286    HB3  ALA  37           HB3      ALA  37   0.019  -3.402  -9.650
  287    H    MET  38           HN       MET  38  -0.834  -0.044  -8.117
  288    HA   MET  38           HA       MET  38  -0.518   2.182  -9.871
  289    HB2  MET  38           HB2      MET  38  -2.280   3.187  -8.729
  290    HB3  MET  38           HB3      MET  38  -2.608   1.482  -8.497
  291    HG2  MET  38           HG2      MET  38  -2.094   1.526  -6.282
  292    HG3  MET  38           HG3      MET  38  -1.053   2.930  -6.444
  293    HE1  MET  38           HE1      MET  38  -5.645   3.215  -6.726
  294    HE2  MET  38           HE2      MET  38  -4.620   2.776  -8.093
  295    HE3  MET  38           HE3      MET  38  -4.752   1.694  -6.708
  296    H    ILE  39           HN       ILE  39   0.714   1.276  -6.696
  297    HA   ILE  39           HA       ILE  39   1.800   3.727  -5.913
  298    HB   ILE  39           HB       ILE  39   2.866   0.938  -5.426
  299   HG12  ILE  39          HG12      ILE  39   0.678   1.217  -4.463
  300   HG13  ILE  39          HG13      ILE  39   1.863   1.282  -3.165
  301   HG21  ILE  39          HG21      ILE  39   4.690   2.417  -5.078
  302   HG22  ILE  39          HG22      ILE  39   3.673   3.563  -4.204
  303   HG23  ILE  39          HG23      ILE  39   4.047   1.994  -3.490
  304   HD11  ILE  39          HD11      ILE  39   0.436   3.614  -4.416
  305   HD12  ILE  39          HD12      ILE  39   0.184   2.951  -2.801
  306   HD13  ILE  39          HD13      ILE  39   1.707   3.744  -3.201
  307    H    GLU  40           HN       GLU  40   2.793   1.435  -8.322
  308    HA   GLU  40           HA       GLU  40   5.411   2.581  -8.731
  309    HB2  GLU  40           HB2      GLU  40   5.140   0.240  -9.234
  310    HB3  GLU  40           HB3      GLU  40   3.775   0.571 -10.291
  311    HG2  GLU  40           HG2      GLU  40   5.269   1.751 -11.834
  312    HG3  GLU  40           HG3      GLU  40   6.633   1.376 -10.783
  313    H    THR  41           HN       THR  41   2.195   2.819 -10.080
  314    HA   THR  41           HA       THR  41   2.759   4.261 -12.398
  315    HB   THR  41           HB       THR  41   0.348   4.053 -10.614
  316    HG1  THR  41           HG1      THR  41   0.857   2.322 -12.041
  317   HG21  THR  41          HG21      THR  41   0.286   6.308 -11.492
  318   HG22  THR  41          HG22      THR  41  -0.937   5.311 -12.276
  319   HG23  THR  41          HG23      THR  41   0.558   5.702 -13.124
  320    H    LYS  42           HN       LYS  42   2.785   5.188  -9.064
  321    HA   LYS  42           HA       LYS  42   2.936   8.026  -9.776
  322    HB2  LYS  42           HB2      LYS  42   2.310   6.569  -7.236
  323    HB3  LYS  42           HB3      LYS  42   2.805   8.260  -7.197
  324    HG2  LYS  42           HG2      LYS  42   0.588   8.605  -7.350
  325    HG3  LYS  42           HG3      LYS  42   0.894   8.361  -9.074
  326    HD2  LYS  42           HD2      LYS  42   0.478   5.914  -8.667
  327    HD3  LYS  42           HD3      LYS  42  -0.138   6.370  -7.079
  328    HE2  LYS  42           HE2      LYS  42  -1.856   6.099  -8.927
  329    HE3  LYS  42           HE3      LYS  42  -1.922   7.596  -7.999
  330    HZ1  LYS  42           HZ1      LYS  42  -0.759   8.723  -9.775
  331    HZ2  LYS  42           HZ2      LYS  42  -2.150   7.978 -10.385
  332    HZ3  LYS  42           HZ3      LYS  42  -0.632   7.284 -10.657
  333    H    THR  43           HN       THR  43   4.654   5.589  -7.811
  334    HA   THR  43           HA       THR  43   6.909   7.390  -7.467
  335    HB   THR  43           HB       THR  43   7.877   5.708  -6.038
  336    HG1  THR  43           HG1      THR  43   7.476   3.716  -6.653
  337   HG21  THR  43          HG21      THR  43   6.142   5.500  -4.337
  338   HG22  THR  43          HG22      THR  43   4.903   5.881  -5.532
  339   HG23  THR  43          HG23      THR  43   6.092   7.101  -5.075
  340    H    GLY  44           HN       GLY  44   6.234   4.276  -9.029
  341    HA2  GLY  44           HA1      GLY  44   7.150   3.649 -11.117
  342    HA3  GLY  44           HA2      GLY  44   8.461   4.791 -10.862
  343    H    ILE  45           HN       ILE  45   7.894   2.999  -8.077
  344    HA   ILE  45           HA       ILE  45  10.316   1.456  -8.519
  345    HB   ILE  45           HB       ILE  45   8.586   1.380  -6.053
  346   HG12  ILE  45          HG12      ILE  45   9.087   3.725  -6.549
  347   HG13  ILE  45          HG13      ILE  45   9.969   3.185  -5.129
  348   HG21  ILE  45          HG21      ILE  45  10.293  -0.332  -6.200
  349   HG22  ILE  45          HG22      ILE  45  11.522   0.894  -6.509
  350   HG23  ILE  45          HG23      ILE  45  10.707   0.839  -4.948
  351   HD11  ILE  45          HD11      ILE  45  11.112   3.456  -7.900
  352   HD12  ILE  45          HD12      ILE  45  11.331   4.598  -6.574
  353   HD13  ILE  45          HD13      ILE  45  11.992   2.968  -6.452
  354    H    ILE  46           HN       ILE  46  10.314  -0.583  -9.220
  355    HA   ILE  46           HA       ILE  46   7.955  -1.962  -9.868
  356    HB   ILE  46           HB       ILE  46   9.734  -3.990  -9.855
  357   HG12  ILE  46          HG12      ILE  46  11.406  -1.520 -10.346
  358   HG13  ILE  46          HG13      ILE  46  11.470  -2.463  -8.864
  359   HG21  ILE  46          HG21      ILE  46   9.529  -1.815 -11.932
  360   HG22  ILE  46          HG22      ILE  46  10.134  -3.449 -12.207
  361   HG23  ILE  46          HG23      ILE  46   8.446  -3.197 -11.761
  362   HD11  ILE  46          HD11      ILE  46  12.122  -3.481 -11.618
  363   HD12  ILE  46          HD12      ILE  46  13.291  -3.028 -10.376
  364   HD13  ILE  46          HD13      ILE  46  12.219  -4.406 -10.119
  365    HA   PRO  47           HA       PRO  47   6.421  -3.872  -6.201
  366    HB2  PRO  47           HB2      PRO  47   6.307  -6.292  -7.955
  367    HB3  PRO  47           HB3      PRO  47   5.075  -5.615  -6.897
  368    HG2  PRO  47           HG2      PRO  47   4.906  -5.223  -9.492
  369    HG3  PRO  47           HG3      PRO  47   4.558  -3.890  -8.372
  370    HD2  PRO  47           HD2      PRO  47   6.976  -4.381 -10.041
  371    HD3  PRO  47           HD3      PRO  47   6.183  -2.849  -9.628
  372    H    GLU  48           HN       GLU  48   8.530  -6.032  -8.088
  373    HA   GLU  48           HA       GLU  48   9.298  -7.769  -6.092
  374    HB2  GLU  48           HB2      GLU  48  11.304  -8.222  -7.449
  375    HB3  GLU  48           HB3      GLU  48   9.837  -8.164  -8.416
  376    HG2  GLU  48           HG2      GLU  48  10.389  -5.922  -9.160
  377    HG3  GLU  48           HG3      GLU  48  11.835  -5.929  -8.152
  378    H    THR  49           HN       THR  49  10.019  -4.471  -6.219
  379    HA   THR  49           HA       THR  49  12.228  -4.825  -4.303
  380    HB   THR  49           HB       THR  49  12.320  -2.188  -5.299
  381    HG1  THR  49           HG1      THR  49  11.482  -2.500  -7.236
  382   HG21  THR  49          HG21      THR  49  14.245  -3.414  -4.530
  383   HG22  THR  49          HG22      THR  49  14.503  -2.947  -6.211
  384   HG23  THR  49          HG23      THR  49  14.047  -4.605  -5.816
  385    H    GLN  50           HN       GLN  50   9.116  -3.585  -4.884
  386    HA   GLN  50           HA       GLN  50   9.147  -1.517  -2.900
  387    HB2  GLN  50           HB2      GLN  50   6.925  -2.846  -4.415
  388    HB3  GLN  50           HB3      GLN  50   6.670  -1.530  -3.295
  389    HG2  GLN  50           HG2      GLN  50   8.628  -0.610  -4.983
  390    HG3  GLN  50           HG3      GLN  50   7.549  -1.504  -6.042
  391   HE21  GLN  50          HE21      GLN  50   5.413  -0.835  -6.266
  392   HE22  GLN  50          HE22      GLN  50   4.898   0.749  -5.812
  393    H    ILE  51           HN       ILE  51   9.324  -2.029  -0.837
  394    HA   ILE  51           HA       ILE  51   7.858  -4.342   0.217
  395    HB   ILE  51           HB       ILE  51   9.900  -2.758   1.755
  396   HG12  ILE  51          HG12      ILE  51  10.339  -4.977  -0.234
  397   HG13  ILE  51          HG13      ILE  51  11.156  -3.425  -0.131
  398   HG21  ILE  51          HG21      ILE  51  10.058  -4.756   3.099
  399   HG22  ILE  51          HG22      ILE  51   8.365  -4.282   2.958
  400   HG23  ILE  51          HG23      ILE  51   8.989  -5.624   1.998
  401   HD11  ILE  51          HD11      ILE  51  12.243  -4.153   1.947
  402   HD12  ILE  51          HD12      ILE  51  11.462  -5.726   1.786
  403   HD13  ILE  51          HD13      ILE  51  12.633  -5.195   0.579
  404    H    VAL  52           HN       VAL  52   5.829  -3.627   0.700
  405    HA   VAL  52           HA       VAL  52   5.532  -1.099   2.105
  406    HB   VAL  52           HB       VAL  52   3.572  -2.964   0.774
  407   HG11  VAL  52          HG11      VAL  52   1.822  -1.354   1.387
  408   HG12  VAL  52          HG12      VAL  52   2.523  -2.174   2.780
  409   HG13  VAL  52          HG13      VAL  52   2.987  -0.515   2.413
  410   HG21  VAL  52          HG21      VAL  52   4.451  -0.131   0.247
  411   HG22  VAL  52          HG22      VAL  52   4.744  -1.548  -0.759
  412   HG23  VAL  52          HG23      VAL  52   3.107  -0.919  -0.578
  413    H    THR  53           HN       THR  53   4.225  -1.033   4.065
  414    HA   THR  53           HA       THR  53   4.033  -3.560   5.522
  415    HB   THR  53           HB       THR  53   5.025  -1.661   7.382
  416    HG1  THR  53           HG1      THR  53   6.571  -0.667   6.345
  417   HG21  THR  53          HG21      THR  53   7.014  -3.347   7.314
  418   HG22  THR  53          HG22      THR  53   5.956  -4.263   6.239
  419   HG23  THR  53          HG23      THR  53   5.432  -3.878   7.880
  420    H    LEU  54           HN       LEU  54   2.302  -3.735   6.644
  421    HA   LEU  54           HA       LEU  54   0.568  -1.437   7.050
  422    HB2  LEU  54           HB2      LEU  54   0.248  -4.296   6.721
  423    HB3  LEU  54           HB3      LEU  54  -0.597  -3.739   8.146
  424    HG   LEU  54           HG       LEU  54  -2.089  -3.771   6.272
  425   HD11  LEU  54          HD11      LEU  54  -2.828  -1.410   6.264
  426   HD12  LEU  54          HD12      LEU  54  -2.479  -2.017   7.882
  427   HD13  LEU  54          HD13      LEU  54  -1.320  -0.969   7.067
  428   HD21  LEU  54          HD21      LEU  54  -0.569  -3.601   4.454
  429   HD22  LEU  54          HD22      LEU  54  -1.711  -2.262   4.348
  430   HD23  LEU  54          HD23      LEU  54  -0.079  -1.982   4.954
  431    H    ASN  55           HN       ASN  55  -0.761  -2.332   9.366
  432    HA   ASN  55           HA       ASN  55   0.818  -1.228  11.380
  433    HB2  ASN  55           HB2      ASN  55  -0.919  -2.615  12.857
  434    HB3  ASN  55           HB3      ASN  55  -1.393  -1.172  11.966
  435   HD21  ASN  55          HD21      ASN  55  -2.449  -1.430   9.944
  436   HD22  ASN  55          HD22      ASN  55  -3.346  -2.863   9.595
  437    H    GLY  56           HN       GLY  56   2.810  -2.110  11.637
  438    HA2  GLY  56           HA1      GLY  56   4.424  -3.558  12.358
  439    HA3  GLY  56           HA2      GLY  56   3.164  -4.284  13.341
  440    H    LYS  57           HN       LYS  57   2.379  -4.418  10.046
  441    HA   LYS  57           HA       LYS  57   3.419  -7.177   9.897
  442    HB2  LYS  57           HB2      LYS  57   0.767  -6.045   9.217
  443    HB3  LYS  57           HB3      LYS  57   1.389  -7.315   8.179
  444    HG2  LYS  57           HG2      LYS  57  -0.096  -8.058  10.065
  445    HG3  LYS  57           HG3      LYS  57   1.464  -8.867   9.949
  446    HD2  LYS  57           HD2      LYS  57   2.197  -8.004  11.892
  447    HD3  LYS  57           HD3      LYS  57   1.401  -6.455  11.631
  448    HE2  LYS  57           HE2      LYS  57  -0.723  -7.413  12.251
  449    HE3  LYS  57           HE3      LYS  57   0.017  -9.000  12.455
  450    HZ1  LYS  57           HZ1      LYS  57   1.361  -8.098  14.250
  451    HZ2  LYS  57           HZ2      LYS  57  -0.284  -7.880  14.575
  452    HZ3  LYS  57           HZ3      LYS  57   0.653  -6.574  14.050
  453    H    ARG  58           HN       ARG  58   3.953  -7.989   7.806
  454    HA   ARG  58           HA       ARG  58   4.901  -5.895   5.993
  455    HB2  ARG  58           HB2      ARG  58   5.687  -8.789   6.302
  456    HB3  ARG  58           HB3      ARG  58   6.291  -7.754   5.020
  457    HG2  ARG  58           HG2      ARG  58   6.769  -6.309   7.312
  458    HG3  ARG  58           HG3      ARG  58   7.113  -7.973   7.785
  459    HD2  ARG  58           HD2      ARG  58   8.203  -6.681   5.300
  460    HD3  ARG  58           HD3      ARG  58   9.066  -6.703   6.839
  461    HE   ARG  58           HE       ARG  58   8.429  -9.323   6.322
  462   HH11  ARG  58          HH11      ARG  58  11.289  -7.915   3.900
  463   HH12  ARG  58          HH12      ARG  58  10.210  -6.813   4.690
  464   HH21  ARG  58          HH21      ARG  58  11.082 -10.169   4.239
  465   HH22  ARG  58          HH22      ARG  58   9.845 -10.781   5.286
  466    H    LEU  59           HN       LEU  59   4.420  -5.913   3.815
  467    HA   LEU  59           HA       LEU  59   1.961  -7.273   3.114
  468    HB2  LEU  59           HB2      LEU  59   3.620  -5.125   1.844
  469    HB3  LEU  59           HB3      LEU  59   2.362  -5.923   0.933
  470    HG   LEU  59           HG       LEU  59   1.753  -3.745   2.011
  471   HD11  LEU  59          HD11      LEU  59   0.186  -6.241   2.562
  472   HD12  LEU  59          HD12      LEU  59  -0.445  -4.627   2.895
  473   HD13  LEU  59          HD13      LEU  59  -0.022  -5.085   1.246
  474   HD21  LEU  59          HD21      LEU  59   2.961  -4.311   4.156
  475   HD22  LEU  59          HD22      LEU  59   1.354  -3.610   4.328
  476   HD23  LEU  59          HD23      LEU  59   1.585  -5.345   4.539
  477    H    GLU  60           HN       GLU  60   1.951  -9.204   2.286
  478    HA   GLU  60           HA       GLU  60   4.330 -10.183   0.871
  479    HB2  GLU  60           HB2      GLU  60   2.033 -11.642   2.175
  480    HB3  GLU  60           HB3      GLU  60   3.311 -12.437   1.272
  481    HG2  GLU  60           HG2      GLU  60   3.688 -10.780   3.755
  482    HG3  GLU  60           HG3      GLU  60   3.688 -12.541   3.680
  483    H    ASP  61           HN       ASP  61   3.945 -11.724  -0.930
  484    HA   ASP  61           HA       ASP  61   2.238 -10.530  -2.890
  485    HB2  ASP  61           HB2      ASP  61   3.088 -12.331  -4.373
  486    HB3  ASP  61           HB3      ASP  61   4.381 -11.455  -3.562
  487    H    GLY  62           HN       GLY  62   0.386 -11.361  -3.845
  488    HA2  GLY  62           HA1      GLY  62  -1.476 -12.720  -4.089
  489    HA3  GLY  62           HA2      GLY  62  -0.689 -13.917  -3.068
  490    H    LYS  63           HN       LYS  63  -0.276 -11.544  -1.133
  491    HA   LYS  63           HA       LYS  63  -2.586 -12.072   0.477
  492    HB2  LYS  63           HB2      LYS  63   0.004 -10.647   0.756
  493    HB3  LYS  63           HB3      LYS  63  -1.301 -10.113   1.792
  494    HG2  LYS  63           HG2      LYS  63   0.147 -11.760   2.875
  495    HG3  LYS  63           HG3      LYS  63  -1.513 -12.325   2.729
  496    HD2  LYS  63           HD2      LYS  63  -0.821 -13.564   0.666
  497    HD3  LYS  63           HD3      LYS  63   0.846 -13.115   1.028
  498    HE2  LYS  63           HE2      LYS  63  -0.995 -14.771   2.749
  499    HE3  LYS  63           HE3      LYS  63   0.407 -15.346   1.846
  500    HZ1  LYS  63           HZ1      LYS  63   0.467 -13.430   4.115
  501    HZ2  LYS  63           HZ2      LYS  63   1.817 -13.951   3.239
  502    HZ3  LYS  63           HZ3      LYS  63   0.940 -15.054   4.174
  503    H    MET  64           HN       MET  64  -4.359 -10.771   0.760
  504    HA   MET  64           HA       MET  64  -4.502  -8.376  -0.891
  505    HB2  MET  64           HB2      MET  64  -6.876  -8.896   0.655
  506    HB3  MET  64           HB3      MET  64  -6.673  -8.859  -1.086
  507    HG2  MET  64           HG2      MET  64  -5.831 -11.200  -0.963
  508    HG3  MET  64           HG3      MET  64  -6.264 -11.201   0.743
  509    HE1  MET  64           HE1      MET  64  -8.731 -11.021   1.650
  510    HE2  MET  64           HE2      MET  64  -8.957  -9.512   0.765
  511    HE3  MET  64           HE3      MET  64 -10.146 -10.807   0.620
  512    H    MET  65           HN       MET  65  -5.144  -6.350  -0.029
  513    HA   MET  65           HA       MET  65  -3.888  -5.748   2.434
  514    HB2  MET  65           HB2      MET  65  -4.060  -3.628   1.733
  515    HB3  MET  65           HB3      MET  65  -4.775  -4.281   0.274
  516    HG2  MET  65           HG2      MET  65  -6.876  -3.666   0.843
  517    HG3  MET  65           HG3      MET  65  -6.552  -3.678   2.569
  518    HE1  MET  65           HE1      MET  65  -7.520   0.087   1.792
  519    HE2  MET  65           HE2      MET  65  -8.092  -1.230   0.769
  520    HE3  MET  65           HE3      MET  65  -8.051  -1.430   2.520
  521    H    ALA  66           HN       ALA  66  -7.109  -6.641   1.560
  522    HA   ALA  66           HA       ALA  66  -8.431  -5.823   3.929
  523    HB1  ALA  66           HB1      ALA  66  -9.169  -8.053   2.035
  524    HB2  ALA  66           HB2      ALA  66 -10.234  -7.285   3.211
  525    HB3  ALA  66           HB3      ALA  66  -9.621  -6.361   1.839
  526    H    ASP  67           HN       ASP  67  -6.499  -8.564   3.027
  527    HA   ASP  67           HA       ASP  67  -7.254 -10.346   5.067
  528    HB2  ASP  67           HB2      ASP  67  -5.939 -11.082   3.147
  529    HB3  ASP  67           HB3      ASP  67  -4.598 -10.052   3.643
  530    H    TYR  68           HN       TYR  68  -5.368  -7.456   5.094
  531    HA   TYR  68           HA       TYR  68  -4.103  -8.103   7.643
  532    HB2  TYR  68           HB2      TYR  68  -3.968  -5.614   5.926
  533    HB3  TYR  68           HB3      TYR  68  -3.020  -5.893   7.386
  534    HD1  TYR  68           HD1      TYR  68  -3.553  -7.004   3.905
  535    HD2  TYR  68           HD2      TYR  68  -1.071  -7.261   7.350
  536    HE1  TYR  68           HE1      TYR  68  -1.811  -8.102   2.558
  537    HE2  TYR  68           HE2      TYR  68   0.681  -8.359   6.018
  538    HH   TYR  68           HH       TYR  68   0.856  -9.671   3.937
  539    H    GLY  69           HN       GLY  69  -7.089  -7.406   6.906
  540    HA2  GLY  69           HA1      GLY  69  -8.850  -6.325   7.908
  541    HA3  GLY  69           HA2      GLY  69  -7.926  -6.547   9.387
  542    H    ILE  70           HN       ILE  70  -7.108  -4.572   6.554
  543    HA   ILE  70           HA       ILE  70  -6.396  -2.374   8.191
  544    HB   ILE  70           HB       ILE  70  -5.936  -1.153   6.206
  545   HG12  ILE  70          HG12      ILE  70  -7.636  -1.336   4.659
  546   HG13  ILE  70          HG13      ILE  70  -6.427  -2.391   3.947
  547   HG21  ILE  70          HG21      ILE  70  -5.253  -4.046   5.764
  548   HG22  ILE  70          HG22      ILE  70  -4.433  -2.658   5.050
  549   HG23  ILE  70          HG23      ILE  70  -4.379  -2.911   6.793
  550   HD11  ILE  70          HD11      ILE  70  -8.718  -3.278   3.837
  551   HD12  ILE  70          HD12      ILE  70  -7.585  -4.333   4.689
  552   HD13  ILE  70          HD13      ILE  70  -8.734  -3.352   5.603
  553    H    ARG  71           HN       ARG  71  -7.265  -0.121   7.365
  554    HA   ARG  71           HA       ARG  71 -10.201  -0.184   7.564
  555    HB2  ARG  71           HB2      ARG  71  -8.415   1.898   8.814
  556    HB3  ARG  71           HB3      ARG  71 -10.138   1.680   9.058
  557    HG2  ARG  71           HG2      ARG  71  -9.559  -0.581  10.040
  558    HG3  ARG  71           HG3      ARG  71  -7.888  -0.026  10.057
  559    HD2  ARG  71           HD2      ARG  71 -10.211   1.326  11.427
  560    HD3  ARG  71           HD3      ARG  71  -8.980   0.342  12.217
  561    HE   ARG  71           HE       ARG  71  -7.591   2.304  10.899
  562   HH11  ARG  71          HH11      ARG  71  -9.609   3.707  14.062
  563   HH12  ARG  71          HH12      ARG  71 -10.101   2.222  13.317
  564   HH21  ARG  71          HH21      ARG  71  -7.810   4.863  13.243
  565   HH22  ARG  71          HH22      ARG  71  -6.937   4.258  11.875
  566    H    LYS  72           HN       LYS  72 -11.246   1.849   6.838
  567    HA   LYS  72           HA       LYS  72 -10.502   2.587   4.275
  568    HB2  LYS  72           HB2      LYS  72 -11.948   4.616   5.846
  569    HB3  LYS  72           HB3      LYS  72 -12.371   3.854   4.322
  570    HG2  LYS  72           HG2      LYS  72 -12.645   1.791   5.969
  571    HG3  LYS  72           HG3      LYS  72 -13.076   3.105   7.059
  572    HD2  LYS  72           HD2      LYS  72 -14.679   3.891   5.406
  573    HD3  LYS  72           HD3      LYS  72 -14.250   2.544   4.360
  574    HE2  LYS  72           HE2      LYS  72 -16.278   1.995   5.540
  575    HE3  LYS  72           HE3      LYS  72 -14.956   0.983   6.123
  576    HZ1  LYS  72           HZ1      LYS  72 -15.993   3.417   7.474
  577    HZ2  LYS  72           HZ2      LYS  72 -14.730   2.442   8.036
  578    HZ3  LYS  72           HZ3      LYS  72 -16.301   1.821   7.947
  579    H    GLY  73           HN       GLY  73  -8.902   3.855   3.550
  580    HA2  GLY  73           HA1      GLY  73  -7.192   5.394   3.529
  581    HA3  GLY  73           HA2      GLY  73  -8.091   6.263   4.766
  582    H    ASN  74           HN       ASN  74  -6.575   3.023   4.816
  583    HA   ASN  74           HA       ASN  74  -5.488   3.510   7.406
  584    HB2  ASN  74           HB2      ASN  74  -6.183   1.234   6.224
  585    HB3  ASN  74           HB3      ASN  74  -4.500   1.258   5.710
  586   HD21  ASN  74          HD21      ASN  74  -5.474   2.696   8.711
  587   HD22  ASN  74          HD22      ASN  74  -4.772   1.504   9.744
  588    H    LEU  75           HN       LEU  75  -3.174   3.181   7.881
  589    HA   LEU  75           HA       LEU  75  -1.582   4.858   6.122
  590    HB2  LEU  75           HB2      LEU  75  -1.175   3.824   8.917
  591    HB3  LEU  75           HB3      LEU  75   0.084   4.670   8.043
  592    HG   LEU  75           HG       LEU  75  -2.608   5.798   8.815
  593   HD11  LEU  75          HD11      LEU  75  -1.145   5.598  10.715
  594   HD12  LEU  75          HD12      LEU  75   0.183   6.333   9.814
  595   HD13  LEU  75          HD13      LEU  75  -1.237   7.293  10.232
  596   HD21  LEU  75          HD21      LEU  75  -0.302   7.043   7.322
  597   HD22  LEU  75          HD22      LEU  75  -1.926   6.741   6.705
  598   HD23  LEU  75          HD23      LEU  75  -1.674   7.936   7.978
  599    H    LEU  76           HN       LEU  76  -0.487   3.916   4.544
  600    HA   LEU  76           HA       LEU  76   0.731   1.277   5.021
  601    HB2  LEU  76           HB2      LEU  76   0.314   2.546   2.327
  602    HB3  LEU  76           HB3      LEU  76   0.656   0.867   2.689
  603    HG   LEU  76           HG       LEU  76  -1.939   2.344   3.069
  604   HD11  LEU  76          HD11      LEU  76  -1.115  -0.061   1.452
  605   HD12  LEU  76          HD12      LEU  76  -2.773   0.513   1.626
  606   HD13  LEU  76          HD13      LEU  76  -1.567   1.530   0.839
  607   HD21  LEU  76          HD21      LEU  76  -2.794   0.161   3.954
  608   HD22  LEU  76          HD22      LEU  76  -1.118  -0.353   4.120
  609   HD23  LEU  76          HD23      LEU  76  -1.711   1.026   5.042
  610    H    PHE  77           HN       PHE  77   2.866   1.275   5.297
  611    HA   PHE  77           HA       PHE  77   4.406   3.639   4.572
  612    HB2  PHE  77           HB2      PHE  77   5.343   1.141   6.002
  613    HB3  PHE  77           HB3      PHE  77   6.170   2.692   5.933
  614    HD1  PHE  77           HD1      PHE  77   4.828   4.722   6.899
  615    HD2  PHE  77           HD2      PHE  77   4.035   0.643   7.824
  616    HE1  PHE  77           HE1      PHE  77   3.686   5.416   8.967
  617    HE2  PHE  77           HE2      PHE  77   2.893   1.331   9.892
  618    HZ   PHE  77           HZ       PHE  77   2.718   3.719  10.465
  619    H    LEU  78           HN       LEU  78   6.027   3.685   3.043
  620    HA   LEU  78           HA       LEU  78   6.235   1.288   1.349
  621    HB2  LEU  78           HB2      LEU  78   5.300   3.217   0.194
  622    HB3  LEU  78           HB3      LEU  78   6.692   4.185   0.643
  623    HG   LEU  78           HG       LEU  78   8.141   2.744  -0.731
  624   HD11  LEU  78          HD11      LEU  78   5.570   1.386  -1.525
  625   HD12  LEU  78          HD12      LEU  78   7.154   1.109  -2.249
  626   HD13  LEU  78          HD13      LEU  78   6.866   0.675  -0.564
  627   HD21  LEU  78          HD21      LEU  78   7.123   4.767  -1.687
  628   HD22  LEU  78          HD22      LEU  78   7.370   3.508  -2.897
  629   HD23  LEU  78          HD23      LEU  78   5.758   3.801  -2.246
  630    H    ALA  79           HN       ALA  79   8.153   0.413   0.863
  631    HA   ALA  79           HA       ALA  79  10.629   1.764   1.616
  632    HB1  ALA  79           HB1      ALA  79  10.013   0.463   3.595
  633    HB2  ALA  79           HB2      ALA  79   9.908  -0.994   2.608
  634    HB3  ALA  79           HB3      ALA  79  11.461  -0.189   2.830
  635    H    SER  80           HN       SER  80  12.562   0.332   0.878
  636    HA   SER  80           HA       SER  80  11.906  -1.357  -1.398
  637    HB2  SER  80           HB2      SER  80  13.496  -0.066  -2.871
  638    HB3  SER  80           HB3      SER  80  11.986   0.761  -2.500
  639    HG   SER  80           HG       SER  80  14.098   1.211  -0.759
  640    H    TYR  81           HN       TYR  81  13.574  -2.713  -2.085
  641    HA   TYR  81           HA       TYR  81  15.352  -3.595  -0.098
  642    HB2  TYR  81           HB2      TYR  81  14.997  -4.165  -3.010
  643    HB3  TYR  81           HB3      TYR  81  16.455  -4.741  -2.213
  644    HD1  TYR  81           HD1      TYR  81  12.815  -5.078  -2.442
  645    HD2  TYR  81           HD2      TYR  81  16.347  -6.507  -0.553
  646    HE1  TYR  81           HE1      TYR  81  11.571  -7.029  -1.608
  647    HE2  TYR  81           HE2      TYR  81  15.114  -8.464   0.286
  648    HH   TYR  81           HH       TYR  81  12.795  -9.107   0.780
  649    H    SER  82           HN       SER  82  17.783  -3.916  -0.669
  650    HA   SER  82           HA       SER  82  19.855  -3.004  -0.835
  651    HB2  SER  82           HB2      SER  82  19.241  -2.809  -3.226
  652    HB3  SER  82           HB3      SER  82  18.580  -1.205  -2.910
  653    HG   SER  82           HG       SER  82  20.734  -1.132  -3.707
  654    H    ILE  83           HN       ILE  83  17.774  -1.832   0.977
  655    HA   ILE  83           HA       ILE  83  19.109   0.756   1.437
  656    HB   ILE  83           HB       ILE  83  16.211   0.094   1.974
  657   HG12  ILE  83          HG12      ILE  83  16.664   0.512  -0.396
  658   HG13  ILE  83          HG13      ILE  83  15.738   1.836   0.301
  659   HG21  ILE  83          HG21      ILE  83  17.775   2.612   2.523
  660   HG22  ILE  83          HG22      ILE  83  16.024   2.456   2.661
  661   HG23  ILE  83          HG23      ILE  83  17.079   1.518   3.718
  662   HD11  ILE  83          HD11      ILE  83  18.699   1.845  -0.240
  663   HD12  ILE  83          HD12      ILE  83  17.459   2.657  -1.195
  664   HD13  ILE  83          HD13      ILE  83  17.774   3.172   0.461
  665    H    GLY  84           HN       GLY  84  16.947  -1.498   3.175
  666    HA2  GLY  84           HA1      GLY  84  18.901  -1.503   5.385
  667    HA3  GLY  84           HA2      GLY  84  17.196  -1.217   5.701
  668    H    GLY  85           HN       GLY  85  19.221  -3.410   6.402
  669    HA2  GLY  85           HA1      GLY  85  17.973  -5.750   5.199
  670    HA3  GLY  85           HA2      GLY  85  19.347  -5.748   6.293
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1 -31.088   3.598  -8.634
    2    H2   GLY   1           H2       GLY   1 -29.710   3.968  -9.541
    3    H3   GLY   1           H3       GLY   1 -29.635   3.975  -7.851
    4    HA2  GLY   1           HA2      GLY   1 -30.047   1.596  -7.788
    5    HA3  GLY   1           HA1      GLY   1 -30.130   1.587  -9.543
    6    H    ALA   2           HN       ALA   2 -27.856   3.578  -7.792
    7    HA   ALA   2           HA       ALA   2 -25.666   2.107  -9.045
    8    HB1  ALA   2           HB1      ALA   2 -25.599   4.729  -7.556
    9    HB2  ALA   2           HB2      ALA   2 -24.289   4.025  -8.502
   10    HB3  ALA   2           HB3      ALA   2 -25.768   4.556  -9.303
   11    H    MET   3           HN       MET   3 -24.450   0.708  -7.956
   12    HA   MET   3           HA       MET   3 -24.224   0.987  -5.040
   13    HB2  MET   3           HB2      MET   3 -25.902  -0.751  -5.533
   14    HB3  MET   3           HB3      MET   3 -24.718  -1.611  -6.509
   15    HG2  MET   3           HG2      MET   3 -24.938  -2.634  -4.331
   16    HG3  MET   3           HG3      MET   3 -23.328  -1.947  -4.532
   17    HE1  MET   3           HE1      MET   3 -24.519  -2.814  -1.691
   18    HE2  MET   3           HE2      MET   3 -22.908  -2.133  -1.927
   19    HE3  MET   3           HE3      MET   3 -23.981  -1.454  -0.705
   20    H    GLY   4           HN       GLY   4 -22.153   1.293  -4.584
   21    HA2  GLY   4           HA1      GLY   4 -20.143  -0.546  -5.477
   22    HA3  GLY   4           HA2      GLY   4 -19.988   1.029  -6.241
   23    H    ASP   5           HN       ASP   5 -18.557   2.290  -5.282
   24    HA   ASP   5           HA       ASP   5 -17.236   3.271  -3.712
   25    HB2  ASP   5           HB2      ASP   5 -19.533   2.602  -1.859
   26    HB3  ASP   5           HB3      ASP   5 -18.252   3.765  -1.532
   27    H    GLU   6           HN       GLU   6 -17.261   0.260  -4.096
   28    HA   GLU   6           HA       GLU   6 -16.643  -0.983  -1.644
   29    HB2  GLU   6           HB2      GLU   6 -15.778  -1.704  -4.449
   30    HB3  GLU   6           HB3      GLU   6 -15.608  -2.748  -3.045
   31    HG2  GLU   6           HG2      GLU   6 -18.031  -2.789  -2.774
   32    HG3  GLU   6           HG3      GLU   6 -18.206  -1.731  -4.174
   33    H    GLU   7           HN       GLU   7 -14.740   0.904  -3.881
   34    HA   GLU   7           HA       GLU   7 -12.176   0.172  -2.950
   35    HB2  GLU   7           HB2      GLU   7 -12.988   2.826  -4.142
   36    HB3  GLU   7           HB3      GLU   7 -11.374   2.131  -4.112
   37    HG2  GLU   7           HG2      GLU   7 -12.182   0.293  -5.551
   38    HG3  GLU   7           HG3      GLU   7 -13.749   1.097  -5.643
   39    H    LEU   8           HN       LEU   8 -10.765   1.228  -1.527
   40    HA   LEU   8           HA       LEU   8 -12.019   3.146   0.322
   41    HB2  LEU   8           HB2      LEU   8 -10.246   0.821   1.075
   42    HB3  LEU   8           HB3      LEU   8 -10.753   2.082   2.177
   43    HG   LEU   8           HG       LEU   8 -12.420  -0.095   0.944
   44   HD11  LEU   8          HD11      LEU   8 -11.219  -0.597   3.012
   45   HD12  LEU   8          HD12      LEU   8 -11.969   0.801   3.789
   46   HD13  LEU   8          HD13      LEU   8 -12.964  -0.563   3.272
   47   HD21  LEU   8          HD21      LEU   8 -14.277   1.109   2.328
   48   HD22  LEU   8          HD22      LEU   8 -13.288   2.539   2.046
   49   HD23  LEU   8          HD23      LEU   8 -13.930   1.627   0.679
   50    HA   PRO   9           HA       PRO   9  -8.359   5.533  -0.406
   51    HB2  PRO   9           HB2      PRO   9  -8.649   6.749   2.238
   52    HB3  PRO   9           HB3      PRO   9  -8.865   7.481   0.646
   53    HG2  PRO   9           HG2      PRO   9 -10.934   7.017   2.327
   54    HG3  PRO   9           HG3      PRO   9 -11.102   6.958   0.563
   55    HD2  PRO   9           HD2      PRO   9 -10.827   4.703   2.518
   56    HD3  PRO   9           HD3      PRO   9 -11.883   4.838   1.096
   57    H    LEU  10           HN       LEU  10  -6.219   6.024   0.559
   58    HA   LEU  10           HA       LEU  10  -5.419   4.480   2.875
   59    HB2  LEU  10           HB2      LEU  10  -4.455   3.865   0.096
   60    HB3  LEU  10           HB3      LEU  10  -3.508   3.470   1.514
   61    HG   LEU  10           HG       LEU  10  -6.310   2.468   1.076
   62   HD11  LEU  10          HD11      LEU  10  -5.419   0.438   0.246
   63   HD12  LEU  10          HD12      LEU  10  -4.669   1.736  -0.682
   64   HD13  LEU  10          HD13      LEU  10  -3.766   0.939   0.606
   65   HD21  LEU  10          HD21      LEU  10  -4.142   1.440   2.896
   66   HD22  LEU  10          HD22      LEU  10  -5.424   2.541   3.408
   67   HD23  LEU  10          HD23      LEU  10  -5.828   0.925   2.831
   68    H    PHE  11           HN       PHE  11  -3.092   4.768   3.334
   69    HA   PHE  11           HA       PHE  11  -2.149   7.423   2.471
   70    HB2  PHE  11           HB2      PHE  11  -2.282   6.207   5.220
   71    HB3  PHE  11           HB3      PHE  11  -1.191   7.540   4.860
   72    HD1  PHE  11           HD1      PHE  11  -4.301   6.733   6.156
   73    HD2  PHE  11           HD2      PHE  11  -2.419   9.543   3.576
   74    HE1  PHE  11           HE1      PHE  11  -6.136   8.327   6.556
   75    HE2  PHE  11           HE2      PHE  11  -4.242  11.142   3.970
   76    HZ   PHE  11           HZ       PHE  11  -6.115  10.508   5.533
   77    H    LEU  12           HN       LEU  12  -0.389   7.043   1.249
   78    HA   LEU  12           HA       LEU  12   1.434   4.888   2.026
   79    HB2  LEU  12           HB2      LEU  12   0.783   6.259  -0.490
   80    HB3  LEU  12           HB3      LEU  12   2.491   5.936  -0.262
   81    HG   LEU  12           HG       LEU  12   1.384   4.157  -1.530
   82   HD11  LEU  12          HD11      LEU  12   2.322   3.328   1.209
   83   HD12  LEU  12          HD12      LEU  12   2.162   2.253  -0.180
   84   HD13  LEU  12          HD13      LEU  12   3.326   3.577  -0.219
   85   HD21  LEU  12          HD21      LEU  12  -0.842   4.314  -0.576
   86   HD22  LEU  12          HD22      LEU  12  -0.220   2.672  -0.415
   87   HD23  LEU  12          HD23      LEU  12  -0.233   3.751   0.981
   88    H    VAL  13           HN       VAL  13   2.806   5.522   3.550
   89    HA   VAL  13           HA       VAL  13   3.948   8.214   3.454
   90    HB   VAL  13           HB       VAL  13   4.367   6.153   5.614
   91   HG11  VAL  13          HG11      VAL  13   5.945   7.990   5.626
   92   HG12  VAL  13          HG12      VAL  13   4.623   9.156   5.578
   93   HG13  VAL  13          HG13      VAL  13   4.843   8.131   6.995
   94   HG21  VAL  13          HG21      VAL  13   2.557   7.287   6.852
   95   HG22  VAL  13          HG22      VAL  13   2.191   8.231   5.406
   96   HG23  VAL  13          HG23      VAL  13   1.984   6.479   5.393
   97    H    GLU  14           HN       GLU  14   5.768   8.442   2.314
   98    HA   GLU  14           HA       GLU  14   7.428   6.304   1.542
   99    HB2  GLU  14           HB2      GLU  14   7.535   9.257   1.363
  100    HB3  GLU  14           HB3      GLU  14   9.066   8.413   1.225
  101    HG2  GLU  14           HG2      GLU  14   6.648   7.779  -0.430
  102    HG3  GLU  14           HG3      GLU  14   7.923   8.882  -0.934
  103    H    SER  15           HN       SER  15   9.051   5.300   2.511
  104    HA   SER  15           HA       SER  15   9.627   5.702   5.238
  105    HB2  SER  15           HB2      SER  15  11.430   4.038   4.899
  106    HB3  SER  15           HB3      SER  15   9.898   3.517   4.195
  107    HG   SER  15           HG       SER  15  11.869   3.288   2.863
  108    H    GLY  16           HN       GLY  16  11.596   6.397   2.354
  109    HA2  GLY  16           HA1      GLY  16  13.794   7.458   3.703
  110    HA3  GLY  16           HA2      GLY  16  13.345   7.857   2.052
  111    H    ASP  17           HN       ASP  17  10.800   9.011   2.687
  112    HA   ASP  17           HA       ASP  17  11.447  11.257   4.436
  113    HB2  ASP  17           HB2      ASP  17  10.651  11.541   1.534
  114    HB3  ASP  17           HB3      ASP  17  10.632  12.866   2.693
  115    H    GLU  18           HN       GLU  18   9.868  11.004   5.880
  116    HA   GLU  18           HA       GLU  18   7.330   9.944   5.396
  117    HB2  GLU  18           HB2      GLU  18   6.731  11.095   7.601
  118    HB3  GLU  18           HB3      GLU  18   8.023   9.905   7.628
  119    HG2  GLU  18           HG2      GLU  18   8.621  11.806   8.974
  120    HG3  GLU  18           HG3      GLU  18   9.674  11.713   7.568
  121    H    ALA  19           HN       ALA  19   8.563  12.953   4.535
  122    HA   ALA  19           HA       ALA  19   6.091  14.425   4.702
  123    HB1  ALA  19           HB1      ALA  19   8.674  15.110   3.303
  124    HB2  ALA  19           HB2      ALA  19   7.320  16.209   3.572
  125    HB3  ALA  19           HB3      ALA  19   8.229  15.575   4.944
  126    H    LYS  20           HN       LYS  20   7.831  12.600   2.258
  127    HA   LYS  20           HA       LYS  20   6.067  13.480   0.154
  128    HB2  LYS  20           HB2      LYS  20   8.087  11.268  -0.080
  129    HB3  LYS  20           HB3      LYS  20   7.470  12.325  -1.342
  130    HG2  LYS  20           HG2      LYS  20   9.378  13.038   0.871
  131    HG3  LYS  20           HG3      LYS  20   9.708  12.978  -0.862
  132    HD2  LYS  20           HD2      LYS  20   7.997  14.798  -1.141
  133    HD3  LYS  20           HD3      LYS  20   7.956  14.935   0.616
  134    HE2  LYS  20           HE2      LYS  20  10.355  15.430   0.628
  135    HE3  LYS  20           HE3      LYS  20  10.388  15.308  -1.130
  136    HZ1  LYS  20           HZ1      LYS  20   8.826  17.289   0.439
  137    HZ2  LYS  20           HZ2      LYS  20   8.848  17.170  -1.248
  138    HZ3  LYS  20           HZ3      LYS  20  10.254  17.606  -0.412
  139    H    ARG  21           HN       ARG  21   4.207  12.595   1.494
  140    HA   ARG  21           HA       ARG  21   3.850   9.713   1.062
  141    HB2  ARG  21           HB2      ARG  21   1.954   9.908   2.639
  142    HB3  ARG  21           HB3      ARG  21   3.471  10.409   3.345
  143    HG2  ARG  21           HG2      ARG  21   2.107  12.064   4.093
  144    HG3  ARG  21           HG3      ARG  21   2.695  12.784   2.590
  145    HD2  ARG  21           HD2      ARG  21   0.686  11.650   1.511
  146    HD3  ARG  21           HD3      ARG  21   0.065  11.481   3.149
  147    HE   ARG  21           HE       ARG  21   0.724  14.126   2.930
  148   HH11  ARG  21          HH11      ARG  21  -2.457  13.180   0.687
  149   HH12  ARG  21          HH12      ARG  21  -1.340  11.943   1.161
  150   HH21  ARG  21          HH21      ARG  21  -2.116  15.347   1.337
  151   HH22  ARG  21          HH22      ARG  21  -0.741  15.758   2.308
  152    H    HIS  22           HN       HIS  22   1.655   9.007   0.327
  153    HA   HIS  22           HA       HIS  22   0.270  10.993  -1.317
  154    HB2  HIS  22           HB2      HIS  22   0.768   8.393  -2.655
  155    HB3  HIS  22           HB3      HIS  22   0.676  10.014  -3.339
  156    HD2  HIS  22           HD2      HIS  22   3.237   7.419  -2.936
  157    HE1  HIS  22           HE1      HIS  22   5.323  11.055  -2.365
  158    H    LEU  23           HN       LEU  23  -1.865  10.804  -1.151
  159    HA   LEU  23           HA       LEU  23  -3.020   8.492   0.171
  160    HB2  LEU  23           HB2      LEU  23  -3.642  10.994   0.505
  161    HB3  LEU  23           HB3      LEU  23  -4.560  10.804  -0.972
  162    HG   LEU  23           HG       LEU  23  -5.003   9.285   1.603
  163   HD11  LEU  23          HD11      LEU  23  -5.720  11.623   1.675
  164   HD12  LEU  23          HD12      LEU  23  -6.677  11.370   0.215
  165   HD13  LEU  23          HD13      LEU  23  -7.094  10.518   1.701
  166   HD21  LEU  23          HD21      LEU  23  -7.054   8.457   0.458
  167   HD22  LEU  23          HD22      LEU  23  -6.427   9.122  -1.051
  168   HD23  LEU  23          HD23      LEU  23  -5.553   7.832  -0.223
  169    H    LEU  24           HN       LEU  24  -3.883   6.800  -0.900
  170    HA   LEU  24           HA       LEU  24  -4.745   7.230  -3.678
  171    HB2  LEU  24           HB2      LEU  24  -3.289   4.777  -2.735
  172    HB3  LEU  24           HB3      LEU  24  -3.727   5.189  -4.377
  173    HG   LEU  24           HG       LEU  24  -1.762   6.762  -2.716
  174   HD11  LEU  24          HD11      LEU  24  -0.911   4.518  -3.129
  175   HD12  LEU  24          HD12      LEU  24  -1.256   4.692  -4.850
  176   HD13  LEU  24          HD13      LEU  24  -0.034   5.709  -4.088
  177   HD21  LEU  24          HD21      LEU  24  -1.175   7.794  -4.832
  178   HD22  LEU  24          HD22      LEU  24  -2.367   6.801  -5.668
  179   HD23  LEU  24          HD23      LEU  24  -2.893   8.012  -4.502
  180    H    GLN  25           HN       GLN  25  -6.574   6.278  -4.288
  181    HA   GLN  25           HA       GLN  25  -8.100   4.832  -2.271
  182    HB2  GLN  25           HB2      GLN  25 -10.060   5.364  -3.635
  183    HB3  GLN  25           HB3      GLN  25  -9.161   6.806  -3.217
  184    HG2  GLN  25           HG2      GLN  25  -9.306   5.426  -5.868
  185    HG3  GLN  25           HG3      GLN  25  -9.840   7.043  -5.451
  186   HE21  GLN  25          HE21      GLN  25  -7.145   5.050  -6.281
  187   HE22  GLN  25          HE22      GLN  25  -5.998   6.318  -6.491
  188    H    VAL  26           HN       VAL  26  -7.994   2.723  -2.361
  189    HA   VAL  26           HA       VAL  26  -8.462   1.349  -4.868
  190    HB   VAL  26           HB       VAL  26  -6.120   1.393  -5.027
  191   HG11  VAL  26          HG11      VAL  26  -4.633   0.747  -3.133
  192   HG12  VAL  26          HG12      VAL  26  -5.521   2.256  -2.901
  193   HG13  VAL  26          HG13      VAL  26  -6.052   0.784  -2.086
  194   HG21  VAL  26          HG21      VAL  26  -7.056  -0.838  -5.359
  195   HG22  VAL  26          HG22      VAL  26  -5.413  -0.910  -4.722
  196   HG23  VAL  26          HG23      VAL  26  -6.786  -1.203  -3.654
  197    H    ARG  27           HN       ARG  27  -9.295  -0.747  -4.592
  198    HA   ARG  27           HA       ARG  27 -10.885  -1.158  -2.352
  199    HB2  ARG  27           HB2      ARG  27  -9.883  -3.425  -4.063
  200    HB3  ARG  27           HB3      ARG  27 -11.417  -3.296  -3.218
  201    HG2  ARG  27           HG2      ARG  27 -12.256  -1.757  -4.766
  202    HG3  ARG  27           HG3      ARG  27 -10.651  -1.458  -5.433
  203    HD2  ARG  27           HD2      ARG  27 -11.959  -2.866  -6.926
  204    HD3  ARG  27           HD3      ARG  27 -10.570  -3.738  -6.291
  205    HE   ARG  27           HE       ARG  27 -12.892  -4.175  -4.708
  206   HH11  ARG  27          HH11      ARG  27 -12.096  -6.659  -7.747
  207   HH12  ARG  27          HH12      ARG  27 -11.334  -5.104  -7.684
  208   HH21  ARG  27          HH21      ARG  27 -13.550  -7.294  -6.097
  209   HH22  ARG  27          HH22      ARG  27 -13.894  -6.222  -4.780
  210    H    ARG  28           HN       ARG  28 -10.762  -2.528  -0.610
  211    HA   ARG  28           HA       ARG  28  -8.174  -2.826   0.513
  212    HB2  ARG  28           HB2      ARG  28  -9.297  -3.790   2.427
  213    HB3  ARG  28           HB3      ARG  28 -10.134  -2.336   1.902
  214    HG2  ARG  28           HG2      ARG  28 -11.951  -3.499   1.146
  215    HG3  ARG  28           HG3      ARG  28 -11.028  -4.980   0.894
  216    HD2  ARG  28           HD2      ARG  28 -12.514  -5.218   2.799
  217    HD3  ARG  28           HD3      ARG  28 -10.817  -5.281   3.279
  218    HE   ARG  28           HE       ARG  28 -11.644  -2.645   3.548
  219   HH11  ARG  28          HH11      ARG  28 -12.877  -5.092   6.468
  220   HH12  ARG  28          HH12      ARG  28 -12.408  -5.749   4.935
  221   HH21  ARG  28          HH21      ARG  28 -12.794  -2.831   6.823
  222   HH22  ARG  28          HH22      ARG  28 -12.260  -1.772   5.561
  223    H    SER  29           HN       SER  29 -10.514  -4.922  -0.996
  224    HA   SER  29           HA       SER  29  -9.197  -7.374  -0.421
  225    HB2  SER  29           HB2      SER  29 -11.575  -7.270  -1.053
  226    HB3  SER  29           HB3      SER  29 -11.118  -6.656  -2.643
  227    HG   SER  29           HG       SER  29 -11.486  -8.899  -2.709
  228    H    SER  30           HN       SER  30  -8.308  -4.782  -2.300
  229    HA   SER  30           HA       SER  30  -7.256  -6.090  -4.595
  230    HB2  SER  30           HB2      SER  30  -6.306  -3.530  -3.297
  231    HB3  SER  30           HB3      SER  30  -5.930  -4.066  -4.933
  232    HG   SER  30           HG       SER  30  -7.763  -3.277  -5.563
  233    H    SER  31           HN       SER  31  -5.532  -7.362  -4.784
  234    HA   SER  31           HA       SER  31  -3.928  -7.959  -2.513
  235    HB2  SER  31           HB2      SER  31  -2.718  -9.467  -3.966
  236    HB3  SER  31           HB3      SER  31  -4.442  -9.621  -4.287
  237    HG   SER  31           HG       SER  31  -4.052  -8.088  -6.053
  238    H    VAL  32           HN       VAL  32  -1.802  -7.480  -2.129
  239    HA   VAL  32           HA       VAL  32  -0.850  -4.981  -2.537
  240    HB   VAL  32           HB       VAL  32   1.224  -5.686  -1.722
  241   HG11  VAL  32          HG11      VAL  32  -0.762  -6.128  -0.250
  242   HG12  VAL  32          HG12      VAL  32  -0.614  -7.825  -0.703
  243   HG13  VAL  32          HG13      VAL  32   0.704  -7.023   0.153
  244   HG21  VAL  32          HG21      VAL  32   1.851  -7.305  -3.386
  245   HG22  VAL  32          HG22      VAL  32   2.002  -8.038  -1.789
  246   HG23  VAL  32          HG23      VAL  32   0.617  -8.427  -2.810
  247    H    ALA  33           HN       ALA  33  -0.602  -7.704  -4.734
  248    HA   ALA  33           HA       ALA  33   1.441  -6.734  -6.399
  249    HB1  ALA  33           HB1      ALA  33  -0.882  -8.490  -7.172
  250    HB2  ALA  33           HB2      ALA  33   0.644  -8.321  -8.041
  251    HB3  ALA  33           HB3      ALA  33   0.619  -9.050  -6.436
  252    H    GLN  34           HN       GLN  34  -2.085  -6.280  -6.562
  253    HA   GLN  34           HA       GLN  34  -1.925  -4.740  -8.996
  254    HB2  GLN  34           HB2      GLN  34  -4.259  -5.021  -7.099
  255    HB3  GLN  34           HB3      GLN  34  -4.316  -4.479  -8.768
  256    HG2  GLN  34           HG2      GLN  34  -3.595  -6.705  -9.502
  257    HG3  GLN  34           HG3      GLN  34  -3.586  -7.241  -7.823
  258   HE21  GLN  34          HE21      GLN  34  -5.972  -5.042  -9.104
  259   HE22  GLN  34          HE22      GLN  34  -7.308  -6.136  -9.030
  260    H    VAL  35           HN       VAL  35  -2.423  -4.174  -5.578
  261    HA   VAL  35           HA       VAL  35  -2.951  -1.434  -5.662
  262    HB   VAL  35           HB       VAL  35  -1.578  -3.043  -3.501
  263   HG11  VAL  35          HG11      VAL  35  -2.186  -1.270  -2.002
  264   HG12  VAL  35          HG12      VAL  35  -1.214  -0.621  -3.325
  265   HG13  VAL  35          HG13      VAL  35  -2.964  -0.383  -3.315
  266   HG21  VAL  35          HG21      VAL  35  -4.480  -2.279  -3.838
  267   HG22  VAL  35          HG22      VAL  35  -3.803  -3.891  -4.062
  268   HG23  VAL  35          HG23      VAL  35  -3.791  -3.143  -2.465
  269    H    LYS  36           HN       LYS  36   0.097  -3.223  -5.405
  270    HA   LYS  36           HA       LYS  36   1.750  -0.926  -5.266
  271    HB2  LYS  36           HB2      LYS  36   2.122  -3.817  -5.588
  272    HB3  LYS  36           HB3      LYS  36   3.439  -2.815  -6.127
  273    HG2  LYS  36           HG2      LYS  36   3.632  -3.655  -3.832
  274    HG3  LYS  36           HG3      LYS  36   3.619  -1.907  -3.950
  275    HD2  LYS  36           HD2      LYS  36   1.100  -2.127  -3.559
  276    HD3  LYS  36           HD3      LYS  36   1.488  -3.741  -3.011
  277    HE2  LYS  36           HE2      LYS  36   3.012  -2.818  -1.336
  278    HE3  LYS  36           HE3      LYS  36   2.609  -1.189  -1.880
  279    HZ1  LYS  36           HZ1      LYS  36   1.359  -1.788   0.092
  280    HZ2  LYS  36           HZ2      LYS  36   0.709  -3.139  -0.691
  281    HZ3  LYS  36           HZ3      LYS  36   0.313  -1.584  -1.223
  282    H    ALA  37           HN       ALA  37   0.305  -2.760  -7.841
  283    HA   ALA  37           HA       ALA  37   1.937  -2.018  -9.977
  284    HB1  ALA  37           HB1      ALA  37   0.054  -2.423 -11.421
  285    HB2  ALA  37           HB2      ALA  37   0.021  -3.615 -10.125
  286    HB3  ALA  37           HB3      ALA  37  -1.075  -2.235 -10.080
  287    H    MET  38           HN       MET  38  -0.763  -0.345  -8.417
  288    HA   MET  38           HA       MET  38  -0.517   1.973 -10.070
  289    HB2  MET  38           HB2      MET  38  -2.267   2.898  -8.860
  290    HB3  MET  38           HB3      MET  38  -2.571   1.183  -8.683
  291    HG2  MET  38           HG2      MET  38  -2.079   1.162  -6.477
  292    HG3  MET  38           HG3      MET  38  -0.963   2.513  -6.603
  293    HE1  MET  38           HE1      MET  38  -5.543   3.024  -6.753
  294    HE2  MET  38           HE2      MET  38  -4.583   2.416  -8.102
  295    HE3  MET  38           HE3      MET  38  -4.746   1.454  -6.634
  296    H    ILE  39           HN       ILE  39   0.795   0.923  -6.958
  297    HA   ILE  39           HA       ILE  39   1.851   3.354  -6.080
  298    HB   ILE  39           HB       ILE  39   2.995   0.574  -5.743
  299   HG12  ILE  39          HG12      ILE  39   0.793   0.771  -4.760
  300   HG13  ILE  39          HG13      ILE  39   1.997   0.749  -3.476
  301   HG21  ILE  39          HG21      ILE  39   4.779   2.081  -5.335
  302   HG22  ILE  39          HG22      ILE  39   3.738   3.170  -4.415
  303   HG23  ILE  39          HG23      ILE  39   4.154   1.585  -3.761
  304   HD11  ILE  39          HD11      ILE  39   0.254   2.376  -3.031
  305   HD12  ILE  39          HD12      ILE  39   1.814   3.168  -3.261
  306   HD13  ILE  39          HD13      ILE  39   0.614   3.192  -4.554
  307    H    GLU  40           HN       GLU  40   2.891   1.190  -8.601
  308    HA   GLU  40           HA       GLU  40   5.483   2.412  -8.931
  309    HB2  GLU  40           HB2      GLU  40   5.189   0.070  -9.542
  310    HB3  GLU  40           HB3      GLU  40   3.912   0.497 -10.674
  311    HG2  GLU  40           HG2      GLU  40   5.524   1.725 -12.034
  312    HG3  GLU  40           HG3      GLU  40   6.803   1.300 -10.899
  313    H    THR  41           HN       THR  41   2.289   2.586 -10.337
  314    HA   THR  41           HA       THR  41   2.795   4.174 -12.552
  315    HB   THR  41           HB       THR  41   0.320   4.514 -10.887
  316    HG1  THR  41           HG1      THR  41  -0.374   2.553 -12.119
  317   HG21  THR  41          HG21      THR  41   0.830   4.313 -13.844
  318   HG22  THR  41          HG22      THR  41   0.534   5.800 -12.946
  319   HG23  THR  41          HG23      THR  41  -0.738   4.587 -13.089
  320    H    LYS  42           HN       LYS  42   2.769   4.977  -9.175
  321    HA   LYS  42           HA       LYS  42   2.840   7.839  -9.808
  322    HB2  LYS  42           HB2      LYS  42   2.207   6.312  -7.305
  323    HB3  LYS  42           HB3      LYS  42   2.611   8.026  -7.243
  324    HG2  LYS  42           HG2      LYS  42   0.377   8.247  -7.451
  325    HG3  LYS  42           HG3      LYS  42   0.751   8.054  -9.168
  326    HD2  LYS  42           HD2      LYS  42   0.476   5.568  -8.778
  327    HD3  LYS  42           HD3      LYS  42  -0.279   5.999  -7.245
  328    HE2  LYS  42           HE2      LYS  42  -1.969   7.291  -8.404
  329    HE3  LYS  42           HE3      LYS  42  -1.188   6.973  -9.952
  330    HZ1  LYS  42           HZ1      LYS  42  -1.675   4.637  -9.703
  331    HZ2  LYS  42           HZ2      LYS  42  -3.105   5.530  -9.562
  332    HZ3  LYS  42           HZ3      LYS  42  -2.362   4.899  -8.179
  333    H    THR  43           HN       THR  43   4.596   5.418  -7.844
  334    HA   THR  43           HA       THR  43   6.773   7.299  -7.424
  335    HB   THR  43           HB       THR  43   7.793   5.601  -6.024
  336    HG1  THR  43           HG1      THR  43   6.844   3.552  -5.821
  337   HG21  THR  43          HG21      THR  43   5.835   5.193  -4.426
  338   HG22  THR  43          HG22      THR  43   4.852   6.066  -5.603
  339   HG23  THR  43          HG23      THR  43   6.217   6.869  -4.824
  340    H    GLY  44           HN       GLY  44   6.239   4.212  -9.093
  341    HA2  GLY  44           HA1      GLY  44   7.241   3.681 -11.173
  342    HA3  GLY  44           HA2      GLY  44   8.509   4.848 -10.834
  343    H    ILE  45           HN       ILE  45   7.895   2.938  -8.136
  344    HA   ILE  45           HA       ILE  45  10.379   1.488  -8.545
  345    HB   ILE  45           HB       ILE  45   8.593   1.265  -6.133
  346   HG12  ILE  45          HG12      ILE  45   8.943   3.642  -6.513
  347   HG13  ILE  45          HG13      ILE  45   9.886   3.116  -5.128
  348   HG21  ILE  45          HG21      ILE  45  10.713   0.819  -4.985
  349   HG22  ILE  45          HG22      ILE  45  10.404  -0.337  -6.281
  350   HG23  ILE  45          HG23      ILE  45  11.565   0.969  -6.522
  351   HD11  ILE  45          HD11      ILE  45  10.927   3.619  -7.907
  352   HD12  ILE  45          HD12      ILE  45  11.154   4.652  -6.495
  353   HD13  ILE  45          HD13      ILE  45  11.887   3.050  -6.541
  354    H    ILE  46           HN       ILE  46  10.505  -0.571  -9.186
  355    HA   ILE  46           HA       ILE  46   8.195  -2.010  -9.954
  356    HB   ILE  46           HB       ILE  46   9.964  -3.964 -10.077
  357   HG12  ILE  46          HG12      ILE  46  11.701  -1.484  -9.975
  358   HG13  ILE  46          HG13      ILE  46  11.688  -2.778  -8.783
  359   HG21  ILE  46          HG21      ILE  46  10.592  -3.165 -12.304
  360   HG22  ILE  46          HG22      ILE  46   8.878  -2.909 -11.976
  361   HG23  ILE  46          HG23      ILE  46  10.005  -1.554 -11.888
  362   HD11  ILE  46          HD11      ILE  46  12.478  -4.341 -10.496
  363   HD12  ILE  46          HD12      ILE  46  12.528  -3.019 -11.660
  364   HD13  ILE  46          HD13      ILE  46  13.589  -2.993 -10.252
  365    HA   PRO  47           HA       PRO  47   6.717  -4.094  -6.360
  366    HB2  PRO  47           HB2      PRO  47   6.817  -6.478  -8.167
  367    HB3  PRO  47           HB3      PRO  47   5.523  -5.925  -7.111
  368    HG2  PRO  47           HG2      PRO  47   5.357  -5.479  -9.698
  369    HG3  PRO  47           HG3      PRO  47   4.895  -4.206  -8.550
  370    HD2  PRO  47           HD2      PRO  47   7.358  -4.466 -10.202
  371    HD3  PRO  47           HD3      PRO  47   6.454  -3.008  -9.746
  372    H    GLU  48           HN       GLU  48   9.038  -6.017  -8.248
  373    HA   GLU  48           HA       GLU  48   9.891  -7.776  -6.314
  374    HB2  GLU  48           HB2      GLU  48  11.990  -7.967  -7.600
  375    HB3  GLU  48           HB3      GLU  48  10.558  -8.008  -8.619
  376    HG2  GLU  48           HG2      GLU  48  10.909  -5.715  -9.276
  377    HG3  GLU  48           HG3      GLU  48  12.279  -5.580  -8.173
  378    H    THR  49           HN       THR  49  10.359  -4.417  -6.261
  379    HA   THR  49           HA       THR  49  12.482  -4.701  -4.237
  380    HB   THR  49           HB       THR  49  12.711  -2.113  -4.880
  381    HG1  THR  49           HG1      THR  49  11.313  -1.987  -6.559
  382   HG21  THR  49          HG21      THR  49  14.626  -2.712  -6.264
  383   HG22  THR  49          HG22      THR  49  14.006  -4.356  -6.428
  384   HG23  THR  49          HG23      THR  49  14.525  -3.761  -4.850
  385    H    GLN  50           HN       GLN  50   9.375  -3.480  -5.060
  386    HA   GLN  50           HA       GLN  50   9.090  -1.550  -3.012
  387    HB2  GLN  50           HB2      GLN  50   7.058  -3.094  -4.603
  388    HB3  GLN  50           HB3      GLN  50   6.652  -1.780  -3.519
  389    HG2  GLN  50           HG2      GLN  50   8.619  -0.768  -5.175
  390    HG3  GLN  50           HG3      GLN  50   7.595  -1.725  -6.235
  391   HE21  GLN  50          HE21      GLN  50   5.453  -1.143  -6.529
  392   HE22  GLN  50          HE22      GLN  50   4.852   0.414  -6.087
  393    H    ILE  51           HN       ILE  51   9.018  -1.908  -0.929
  394    HA   ILE  51           HA       ILE  51   7.683  -4.328   0.083
  395    HB   ILE  51           HB       ILE  51   9.951  -2.923   1.483
  396   HG12  ILE  51          HG12      ILE  51   9.993  -4.897  -0.708
  397   HG13  ILE  51          HG13      ILE  51  11.225  -3.754  -0.201
  398   HG21  ILE  51          HG21      ILE  51   8.396  -4.233   2.867
  399   HG22  ILE  51          HG22      ILE  51   8.748  -5.659   1.891
  400   HG23  ILE  51          HG23      ILE  51  10.022  -4.915   2.859
  401   HD11  ILE  51          HD11      ILE  51  11.831  -5.265   1.647
  402   HD12  ILE  51          HD12      ILE  51  10.645  -6.430   1.053
  403   HD13  ILE  51          HD13      ILE  51  12.038  -6.001   0.059
  404    H    VAL  52           HN       VAL  52   5.721  -3.452   0.634
  405    HA   VAL  52           HA       VAL  52   5.701  -1.009   2.214
  406    HB   VAL  52           HB       VAL  52   3.628  -2.501   0.647
  407   HG11  VAL  52          HG11      VAL  52   1.879  -1.081   1.563
  408   HG12  VAL  52          HG12      VAL  52   2.594  -2.105   2.806
  409   HG13  VAL  52          HG13      VAL  52   3.029  -0.400   2.716
  410   HG21  VAL  52          HG21      VAL  52   4.526   0.375   0.767
  411   HG22  VAL  52          HG22      VAL  52   4.899  -0.797  -0.496
  412   HG23  VAL  52          HG23      VAL  52   3.241  -0.237  -0.275
  413    H    THR  53           HN       THR  53   4.286  -0.960   4.139
  414    HA   THR  53           HA       THR  53   3.958  -3.528   5.489
  415    HB   THR  53           HB       THR  53   5.019  -1.758   7.439
  416    HG1  THR  53           HG1      THR  53   6.492  -0.715   6.345
  417   HG21  THR  53          HG21      THR  53   6.934  -3.563   7.287
  418   HG22  THR  53          HG22      THR  53   5.764  -4.388   6.256
  419   HG23  THR  53          HG23      THR  53   5.339  -3.970   7.920
  420    H    LEU  54           HN       LEU  54   2.189  -3.644   6.561
  421    HA   LEU  54           HA       LEU  54   0.592  -1.265   7.033
  422    HB2  LEU  54           HB2      LEU  54   0.111  -4.057   6.529
  423    HB3  LEU  54           HB3      LEU  54  -0.696  -3.579   8.002
  424    HG   LEU  54           HG       LEU  54  -2.195  -3.387   6.141
  425   HD11  LEU  54          HD11      LEU  54  -1.322  -0.664   7.087
  426   HD12  LEU  54          HD12      LEU  54  -2.892  -1.064   6.387
  427   HD13  LEU  54          HD13      LEU  54  -2.420  -1.748   7.942
  428   HD21  LEU  54          HD21      LEU  54  -0.078  -1.631   4.964
  429   HD22  LEU  54          HD22      LEU  54  -0.746  -3.125   4.308
  430   HD23  LEU  54          HD23      LEU  54  -1.742  -1.672   4.380
  431    H    ASN  55           HN       ASN  55  -0.836  -2.189   9.296
  432    HA   ASN  55           HA       ASN  55   0.724  -1.212  11.379
  433    HB2  ASN  55           HB2      ASN  55  -1.055  -2.592  12.787
  434    HB3  ASN  55           HB3      ASN  55  -1.507  -1.137  11.902
  435   HD21  ASN  55          HD21      ASN  55  -2.588  -1.349   9.912
  436   HD22  ASN  55          HD22      ASN  55  -3.462  -2.785   9.512
  437    H    GLY  56           HN       GLY  56   2.696  -2.137  11.651
  438    HA2  GLY  56           HA1      GLY  56   4.267  -3.623  12.389
  439    HA3  GLY  56           HA2      GLY  56   2.972  -4.345  13.328
  440    H    LYS  57           HN       LYS  57   2.221  -4.437  10.045
  441    HA   LYS  57           HA       LYS  57   3.302  -7.175   9.836
  442    HB2  LYS  57           HB2      LYS  57   0.610  -6.091   9.213
  443    HB3  LYS  57           HB3      LYS  57   1.245  -7.345   8.162
  444    HG2  LYS  57           HG2      LYS  57  -0.184  -8.160  10.036
  445    HG3  LYS  57           HG3      LYS  57   1.419  -8.885   9.955
  446    HD2  LYS  57           HD2      LYS  57   2.056  -7.989  11.919
  447    HD3  LYS  57           HD3      LYS  57   1.225  -6.466  11.610
  448    HE2  LYS  57           HE2      LYS  57  -0.891  -7.491  12.166
  449    HE3  LYS  57           HE3      LYS  57  -0.096  -9.039  12.448
  450    HZ1  LYS  57           HZ1      LYS  57   1.160  -8.002  14.251
  451    HZ2  LYS  57           HZ2      LYS  57  -0.505  -7.900  14.526
  452    HZ3  LYS  57           HZ3      LYS  57   0.347  -6.540  13.994
  453    H    ARG  58           HN       ARG  58   3.758  -7.906   7.615
  454    HA   ARG  58           HA       ARG  58   4.546  -5.637   5.935
  455    HB2  ARG  58           HB2      ARG  58   6.423  -6.741   5.255
  456    HB3  ARG  58           HB3      ARG  58   6.249  -7.367   6.878
  457    HG2  ARG  58           HG2      ARG  58   5.860  -9.450   6.183
  458    HG3  ARG  58           HG3      ARG  58   4.872  -8.902   4.831
  459    HD2  ARG  58           HD2      ARG  58   7.031  -8.127   3.756
  460    HD3  ARG  58           HD3      ARG  58   7.863  -9.062   4.996
  461    HE   ARG  58           HE       ARG  58   6.215 -10.895   3.969
  462   HH11  ARG  58          HH11      ARG  58   8.627  -9.587   1.052
  463   HH12  ARG  58          HH12      ARG  58   8.332  -8.590   2.438
  464   HH21  ARG  58          HH21      ARG  58   7.636 -11.644   0.884
  465   HH22  ARG  58          HH22      ARG  58   6.591 -12.212   2.143
  466    H    LEU  59           HN       LEU  59   4.229  -5.674   3.742
  467    HA   LEU  59           HA       LEU  59   1.815  -7.046   2.948
  468    HB2  LEU  59           HB2      LEU  59   3.529  -4.910   1.735
  469    HB3  LEU  59           HB3      LEU  59   2.311  -5.707   0.775
  470    HG   LEU  59           HG       LEU  59   1.632  -3.541   1.792
  471   HD11  LEU  59          HD11      LEU  59  -0.548  -4.509   2.771
  472   HD12  LEU  59          HD12      LEU  59  -0.164  -4.826   1.078
  473   HD13  LEU  59          HD13      LEU  59   0.121  -6.070   2.295
  474   HD21  LEU  59          HD21      LEU  59   2.789  -3.878   3.939
  475   HD22  LEU  59          HD22      LEU  59   1.091  -3.449   4.134
  476   HD23  LEU  59          HD23      LEU  59   1.606  -5.121   4.348
  477    H    GLU  60           HN       GLU  60   1.813  -8.981   2.133
  478    HA   GLU  60           HA       GLU  60   4.237  -9.994   0.813
  479    HB2  GLU  60           HB2      GLU  60   1.873 -11.517   1.918
  480    HB3  GLU  60           HB3      GLU  60   3.342 -12.225   1.264
  481    HG2  GLU  60           HG2      GLU  60   4.639 -11.199   3.060
  482    HG3  GLU  60           HG3      GLU  60   3.164 -10.489   3.716
  483    H    ASP  61           HN       ASP  61   4.150 -11.068  -1.162
  484    HA   ASP  61           HA       ASP  61   2.391 -10.040  -3.086
  485    HB2  ASP  61           HB2      ASP  61   4.602 -10.874  -3.687
  486    HB3  ASP  61           HB3      ASP  61   4.147 -12.503  -3.195
  487    H    GLY  62           HN       GLY  62   0.533 -10.797  -4.005
  488    HA2  GLY  62           HA1      GLY  62  -1.228 -12.267  -4.422
  489    HA3  GLY  62           HA2      GLY  62  -0.448 -13.455  -3.387
  490    H    LYS  63           HN       LYS  63  -0.143 -11.573  -1.172
  491    HA   LYS  63           HA       LYS  63  -2.592 -12.056   0.166
  492    HB2  LYS  63           HB2      LYS  63  -0.014 -11.348   0.916
  493    HB3  LYS  63           HB3      LYS  63  -0.955  -9.919   1.292
  494    HG2  LYS  63           HG2      LYS  63  -0.670 -11.534   3.169
  495    HG3  LYS  63           HG3      LYS  63  -2.330 -11.102   2.793
  496    HD2  LYS  63           HD2      LYS  63  -2.681 -13.181   1.652
  497    HD3  LYS  63           HD3      LYS  63  -0.971 -13.582   1.789
  498    HE2  LYS  63           HE2      LYS  63  -1.209 -13.612   4.248
  499    HE3  LYS  63           HE3      LYS  63  -2.935 -13.307   4.057
  500    HZ1  LYS  63           HZ1      LYS  63  -2.514 -15.648   4.385
  501    HZ2  LYS  63           HZ2      LYS  63  -1.466 -15.686   3.058
  502    HZ3  LYS  63           HZ3      LYS  63  -3.115 -15.390   2.825
  503    H    MET  64           HN       MET  64  -4.225 -10.619   0.779
  504    HA   MET  64           HA       MET  64  -4.392  -8.206  -0.859
  505    HB2  MET  64           HB2      MET  64  -6.726  -8.820   0.765
  506    HB3  MET  64           HB3      MET  64  -6.601  -8.528  -0.954
  507    HG2  MET  64           HG2      MET  64  -7.408 -10.677  -0.873
  508    HG3  MET  64           HG3      MET  64  -5.677 -10.909  -1.084
  509    HE1  MET  64           HE1      MET  64  -8.719 -11.135   1.344
  510    HE2  MET  64           HE2      MET  64  -7.944 -11.496   2.887
  511    HE3  MET  64           HE3      MET  64  -7.730  -9.911   2.141
  512    H    MET  65           HN       MET  65  -5.020  -6.225   0.070
  513    HA   MET  65           HA       MET  65  -3.753  -5.684   2.538
  514    HB2  MET  65           HB2      MET  65  -3.924  -3.555   1.858
  515    HB3  MET  65           HB3      MET  65  -4.668  -4.181   0.401
  516    HG2  MET  65           HG2      MET  65  -6.739  -3.532   0.994
  517    HG3  MET  65           HG3      MET  65  -6.426  -3.651   2.719
  518    HE1  MET  65           HE1      MET  65  -7.866  -1.080   0.921
  519    HE2  MET  65           HE2      MET  65  -7.949  -1.381   2.657
  520    HE3  MET  65           HE3      MET  65  -7.351   0.165   2.058
  521    H    ALA  66           HN       ALA  66  -6.886  -6.727   1.629
  522    HA   ALA  66           HA       ALA  66  -8.330  -5.871   3.924
  523    HB1  ALA  66           HB1      ALA  66  -8.896  -8.182   2.065
  524    HB2  ALA  66           HB2      ALA  66 -10.035  -7.458   3.202
  525    HB3  ALA  66           HB3      ALA  66  -9.438  -6.520   1.833
  526    H    ASP  67           HN       ASP  67  -6.282  -8.579   3.177
  527    HA   ASP  67           HA       ASP  67  -7.027 -10.285   5.293
  528    HB2  ASP  67           HB2      ASP  67  -5.673 -11.079   3.419
  529    HB3  ASP  67           HB3      ASP  67  -4.362  -9.999   3.883
  530    H    TYR  68           HN       TYR  68  -5.219  -7.364   5.174
  531    HA   TYR  68           HA       TYR  68  -3.893  -7.829   7.718
  532    HB2  TYR  68           HB2      TYR  68  -3.913  -5.443   5.860
  533    HB3  TYR  68           HB3      TYR  68  -2.931  -5.571   7.319
  534    HD1  TYR  68           HD1      TYR  68  -3.476  -6.989   3.951
  535    HD2  TYR  68           HD2      TYR  68  -0.902  -6.828   7.332
  536    HE1  TYR  68           HE1      TYR  68  -1.706  -8.092   2.653
  537    HE2  TYR  68           HE2      TYR  68   0.872  -7.933   6.049
  538    HH   TYR  68           HH       TYR  68   0.734  -8.297   2.673
  539    H    GLY  69           HN       GLY  69  -6.921  -7.417   7.162
  540    HA2  GLY  69           HA1      GLY  69  -8.708  -6.381   8.171
  541    HA3  GLY  69           HA2      GLY  69  -7.710  -6.494   9.612
  542    H    ILE  70           HN       ILE  70  -7.025  -4.553   6.739
  543    HA   ILE  70           HA       ILE  70  -6.526  -2.246   8.308
  544    HB   ILE  70           HB       ILE  70  -6.090  -1.087   6.286
  545   HG12  ILE  70          HG12      ILE  70  -7.822  -1.461   4.779
  546   HG13  ILE  70          HG13      ILE  70  -6.498  -2.366   4.066
  547   HG21  ILE  70          HG21      ILE  70  -4.485  -2.536   5.204
  548   HG22  ILE  70          HG22      ILE  70  -4.448  -2.751   6.953
  549   HG23  ILE  70          HG23      ILE  70  -5.245  -3.952   5.934
  550   HD11  ILE  70          HD11      ILE  70  -7.410  -4.431   4.904
  551   HD12  ILE  70          HD12      ILE  70  -8.721  -3.551   5.689
  552   HD13  ILE  70          HD13      ILE  70  -8.597  -3.569   3.930
  553    H    ARG  71           HN       ARG  71  -7.546  -0.113   7.249
  554    HA   ARG  71           HA       ARG  71 -10.462  -0.351   7.164
  555    HB2  ARG  71           HB2      ARG  71 -10.659   1.482   8.786
  556    HB3  ARG  71           HB3      ARG  71  -9.848   0.087   9.484
  557    HG2  ARG  71           HG2      ARG  71  -7.693   1.175   9.166
  558    HG3  ARG  71           HG3      ARG  71  -8.503   2.573   8.455
  559    HD2  ARG  71           HD2      ARG  71  -9.739   2.871  10.586
  560    HD3  ARG  71           HD3      ARG  71  -8.794   1.554  11.278
  561    HE   ARG  71           HE       ARG  71  -7.227   3.706  10.163
  562   HH11  ARG  71          HH11      ARG  71  -7.831   3.354  14.105
  563   HH12  ARG  71          HH12      ARG  71  -8.809   2.447  13.000
  564   HH21  ARG  71          HH21      ARG  71  -6.198   4.751  13.314
  565   HH22  ARG  71          HH22      ARG  71  -5.935   4.904  11.608
  566    H    LYS  72           HN       LYS  72 -11.475   1.811   6.554
  567    HA   LYS  72           HA       LYS  72 -10.500   2.783   4.176
  568    HB2  LYS  72           HB2      LYS  72 -12.272   4.023   6.240
  569    HB3  LYS  72           HB3      LYS  72 -11.899   4.851   4.744
  570    HG2  LYS  72           HG2      LYS  72 -13.191   3.485   3.517
  571    HG3  LYS  72           HG3      LYS  72 -12.850   2.099   4.546
  572    HD2  LYS  72           HD2      LYS  72 -14.373   2.822   6.191
  573    HD3  LYS  72           HD3      LYS  72 -14.554   4.394   5.424
  574    HE2  LYS  72           HE2      LYS  72 -15.414   1.758   4.242
  575    HE3  LYS  72           HE3      LYS  72 -16.488   2.928   5.008
  576    HZ1  LYS  72           HZ1      LYS  72 -15.937   4.526   3.304
  577    HZ2  LYS  72           HZ2      LYS  72 -16.498   3.102   2.582
  578    HZ3  LYS  72           HZ3      LYS  72 -14.843   3.452   2.590
  579    H    GLY  73           HN       GLY  73  -9.087   4.299   3.576
  580    HA2  GLY  73           HA1      GLY  73  -7.206   5.617   3.734
  581    HA3  GLY  73           HA2      GLY  73  -8.138   6.480   4.948
  582    H    ASN  74           HN       ASN  74  -6.762   3.180   5.023
  583    HA   ASN  74           HA       ASN  74  -5.797   3.555   7.667
  584    HB2  ASN  74           HB2      ASN  74  -6.391   1.334   6.308
  585    HB3  ASN  74           HB3      ASN  74  -4.670   1.390   5.950
  586   HD21  ASN  74          HD21      ASN  74  -5.957   2.657   8.915
  587   HD22  ASN  74          HD22      ASN  74  -5.334   1.422   9.950
  588    H    LEU  75           HN       LEU  75  -3.461   3.039   8.196
  589    HA   LEU  75           HA       LEU  75  -1.764   4.824   6.630
  590    HB2  LEU  75           HB2      LEU  75  -1.692   3.782   9.427
  591    HB3  LEU  75           HB3      LEU  75  -0.199   4.311   8.687
  592    HG   LEU  75           HG       LEU  75  -2.639   5.968   9.298
  593   HD11  LEU  75          HD11      LEU  75  -1.049   5.560  11.125
  594   HD12  LEU  75          HD12      LEU  75   0.248   6.223  10.128
  595   HD13  LEU  75          HD13      LEU  75  -1.085   7.257  10.642
  596   HD21  LEU  75          HD21      LEU  75  -1.895   6.649   7.108
  597   HD22  LEU  75          HD22      LEU  75  -1.406   7.864   8.288
  598   HD23  LEU  75          HD23      LEU  75  -0.221   6.719   7.658
  599    H    LEU  76           HN       LEU  76  -0.128   4.144   5.417
  600    HA   LEU  76           HA       LEU  76   0.906   1.423   5.807
  601    HB2  LEU  76           HB2      LEU  76   0.461   2.600   3.071
  602    HB3  LEU  76           HB3      LEU  76   0.884   0.949   3.478
  603    HG   LEU  76           HG       LEU  76  -1.442   0.913   4.662
  604   HD11  LEU  76          HD11      LEU  76  -2.066   2.974   2.588
  605   HD12  LEU  76          HD12      LEU  76  -3.053   2.417   3.939
  606   HD13  LEU  76          HD13      LEU  76  -1.647   3.438   4.237
  607   HD21  LEU  76          HD21      LEU  76  -2.490   0.198   2.569
  608   HD22  LEU  76          HD22      LEU  76  -1.168   0.928   1.660
  609   HD23  LEU  76          HD23      LEU  76  -0.854  -0.441   2.727
  610    H    PHE  77           HN       PHE  77   3.075   1.120   5.123
  611    HA   PHE  77           HA       PHE  77   4.555   3.642   4.733
  612    HB2  PHE  77           HB2      PHE  77   5.316   1.172   6.303
  613    HB3  PHE  77           HB3      PHE  77   6.473   2.427   5.872
  614    HD1  PHE  77           HD1      PHE  77   6.808   4.196   7.311
  615    HD2  PHE  77           HD2      PHE  77   3.183   1.980   7.568
  616    HE1  PHE  77           HE1      PHE  77   6.170   5.479   9.310
  617    HE2  PHE  77           HE2      PHE  77   2.536   3.263   9.568
  618    HZ   PHE  77           HZ       PHE  77   4.031   5.014  10.441
  619    H    LEU  78           HN       LEU  78   5.938   3.763   3.045
  620    HA   LEU  78           HA       LEU  78   6.132   1.398   1.320
  621    HB2  LEU  78           HB2      LEU  78   5.256   3.784   0.613
  622    HB3  LEU  78           HB3      LEU  78   6.965   4.126   0.437
  623    HG   LEU  78           HG       LEU  78   5.538   1.875  -0.978
  624   HD11  LEU  78          HD11      LEU  78   5.683   3.281  -2.975
  625   HD12  LEU  78          HD12      LEU  78   4.678   4.019  -1.728
  626   HD13  LEU  78          HD13      LEU  78   6.321   4.602  -1.994
  627   HD21  LEU  78          HD21      LEU  78   7.572   1.903  -2.403
  628   HD22  LEU  78          HD22      LEU  78   8.300   3.046  -1.275
  629   HD23  LEU  78          HD23      LEU  78   7.884   1.419  -0.737
  630    H    ALA  79           HN       ALA  79   7.992   0.374   1.051
  631    HA   ALA  79           HA       ALA  79  10.516   1.762   1.617
  632    HB1  ALA  79           HB1      ALA  79   9.881  -1.003   2.644
  633    HB2  ALA  79           HB2      ALA  79  11.367  -0.090   2.903
  634    HB3  ALA  79           HB3      ALA  79   9.855   0.463   3.624
  635    H    SER  80           HN       SER  80  12.418   0.280   0.898
  636    HA   SER  80           HA       SER  80  11.809  -1.541  -1.245
  637    HB2  SER  80           HB2      SER  80  13.329  -0.132  -2.832
  638    HB3  SER  80           HB3      SER  80  11.627   0.291  -2.667
  639    HG   SER  80           HG       SER  80  13.265   1.497  -0.823
  640    H    TYR  81           HN       TYR  81  13.586  -2.760  -1.945
  641    HA   TYR  81           HA       TYR  81  15.473  -3.444  -0.067
  642    HB2  TYR  81           HB2      TYR  81  15.208  -3.873  -2.969
  643    HB3  TYR  81           HB3      TYR  81  16.796  -4.174  -2.281
  644    HD1  TYR  81           HD1      TYR  81  13.373  -5.349  -2.574
  645    HD2  TYR  81           HD2      TYR  81  17.071  -5.931  -0.553
  646    HE1  TYR  81           HE1      TYR  81  12.621  -7.576  -1.849
  647    HE2  TYR  81           HE2      TYR  81  16.329  -8.158   0.179
  648    HH   TYR  81           HH       TYR  81  13.619  -9.713  -1.128
  649    H    SER  82           HN       SER  82  17.024  -2.262   0.826
  650    HA   SER  82           HA       SER  82  18.050   0.109  -0.353
  651    HB2  SER  82           HB2      SER  82  19.106  -1.472   2.004
  652    HB3  SER  82           HB3      SER  82  19.556   0.182   1.588
  653    HG   SER  82           HG       SER  82  17.075  -0.797   2.513
  654    H    ILE  83           HN       ILE  83  20.458   0.482  -0.538
  655    HA   ILE  83           HA       ILE  83  22.490   0.071  -1.469
  656    HB   ILE  83           HB       ILE  83  21.825  -2.867  -1.240
  657   HG12  ILE  83          HG12      ILE  83  21.725  -1.758   0.947
  658   HG13  ILE  83          HG13      ILE  83  23.130  -2.812   0.842
  659   HG21  ILE  83          HG21      ILE  83  24.269  -3.167  -1.321
  660   HG22  ILE  83          HG22      ILE  83  23.628  -2.451  -2.799
  661   HG23  ILE  83          HG23      ILE  83  24.454  -1.439  -1.615
  662   HD11  ILE  83          HD11      ILE  83  23.657  -0.710   1.950
  663   HD12  ILE  83          HD12      ILE  83  24.559  -0.882   0.445
  664   HD13  ILE  83          HD13      ILE  83  23.154   0.180   0.513
  665    H    GLY  84           HN       GLY  84  19.638  -1.417  -2.782
  666    HA2  GLY  84           HA1      GLY  84  19.165  -0.831  -5.122
  667    HA3  GLY  84           HA2      GLY  84  20.843  -1.217  -5.470
  668    H    GLY  85           HN       GLY  85  21.390  -3.573  -4.584
  669    HA2  GLY  85           HA1      GLY  85  19.217  -5.345  -5.517
  670    HA3  GLY  85           HA2      GLY  85  20.893  -5.587  -5.986
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1 -27.453  -1.378  -7.688
    2    H2   GLY   1           H2       GLY   1 -29.078  -1.143  -7.282
    3    H3   GLY   1           H3       GLY   1 -28.571  -2.629  -7.912
    4    HA2  GLY   1           HA2      GLY   1 -27.768  -1.485  -5.292
    5    HA3  GLY   1           HA1      GLY   1 -28.923  -2.788  -5.528
    6    H    ALA   2           HN       ALA   2 -26.306  -2.650  -4.092
    7    HA   ALA   2           HA       ALA   2 -25.199  -5.102  -5.232
    8    HB1  ALA   2           HB1      ALA   2 -22.910  -4.300  -5.091
    9    HB2  ALA   2           HB2      ALA   2 -23.854  -3.279  -6.176
   10    HB3  ALA   2           HB3      ALA   2 -23.478  -2.722  -4.545
   11    H    MET   3           HN       MET   3 -23.161  -5.640  -3.617
   12    HA   MET   3           HA       MET   3 -24.424  -5.765  -0.973
   13    HB2  MET   3           HB2      MET   3 -22.285  -7.460  -2.261
   14    HB3  MET   3           HB3      MET   3 -22.749  -7.610  -0.573
   15    HG2  MET   3           HG2      MET   3 -23.893  -9.299  -1.762
   16    HG3  MET   3           HG3      MET   3 -25.083  -8.068  -1.344
   17    HE1  MET   3           HE1      MET   3 -22.365  -8.030  -4.238
   18    HE2  MET   3           HE2      MET   3 -22.934  -9.697  -4.147
   19    HE3  MET   3           HE3      MET   3 -23.318  -8.710  -5.557
   20    H    GLY   4           HN       GLY   4 -21.185  -5.351  -2.410
   21    HA2  GLY   4           HA1      GLY   4 -20.274  -4.111   0.081
   22    HA3  GLY   4           HA2      GLY   4 -19.252  -4.624  -1.253
   23    H    ASP   5           HN       ASP   5 -18.260  -2.501  -0.902
   24    HA   ASP   5           HA       ASP   5 -19.723  -0.405  -2.366
   25    HB2  ASP   5           HB2      ASP   5 -19.506   0.049   0.105
   26    HB3  ASP   5           HB3      ASP   5 -17.760   0.088  -0.116
   27    H    GLU   6           HN       GLU   6 -18.003   1.381  -3.029
   28    HA   GLU   6           HA       GLU   6 -16.302   0.188  -4.924
   29    HB2  GLU   6           HB2      GLU   6 -16.297   3.016  -3.852
   30    HB3  GLU   6           HB3      GLU   6 -15.449   2.481  -5.296
   31    HG2  GLU   6           HG2      GLU   6 -18.430   2.383  -4.898
   32    HG3  GLU   6           HG3      GLU   6 -17.558   3.620  -5.803
   33    H    GLU   7           HN       GLU   7 -13.922   1.500  -4.890
   34    HA   GLU   7           HA       GLU   7 -12.366  -0.081  -3.175
   35    HB2  GLU   7           HB2      GLU   7 -10.500   1.491  -3.916
   36    HB3  GLU   7           HB3      GLU   7 -11.342   0.591  -5.168
   37    HG2  GLU   7           HG2      GLU   7 -12.821   2.666  -5.347
   38    HG3  GLU   7           HG3      GLU   7 -11.517   3.476  -4.488
   39    H    LEU   8           HN       LEU   8 -10.695   0.810  -1.647
   40    HA   LEU   8           HA       LEU   8 -11.973   2.798   0.104
   41    HB2  LEU   8           HB2      LEU   8 -10.157   0.479   0.743
   42    HB3  LEU   8           HB3      LEU   8 -10.542   1.731   1.906
   43    HG   LEU   8           HG       LEU   8 -12.457  -0.240   0.656
   44   HD11  LEU   8          HD11      LEU   8 -12.631  -1.205   2.764
   45   HD12  LEU   8          HD12      LEU   8 -10.909  -0.861   2.615
   46   HD13  LEU   8          HD13      LEU   8 -11.939   0.200   3.572
   47   HD21  LEU   8          HD21      LEU   8 -13.534   1.948   0.832
   48   HD22  LEU   8          HD22      LEU   8 -14.199   0.813   2.006
   49   HD23  LEU   8          HD23      LEU   8 -13.056   2.051   2.527
   50    HA   PRO   9           HA       PRO   9  -8.408   5.369  -0.265
   51    HB2  PRO   9           HB2      PRO   9  -8.621   6.480   2.350
   52    HB3  PRO   9           HB3      PRO   9  -9.314   7.110   0.856
   53    HG2  PRO   9           HG2      PRO   9 -10.781   6.121   2.987
   54    HG3  PRO   9           HG3      PRO   9 -11.376   6.266   1.324
   55    HD2  PRO   9           HD2      PRO   9 -10.289   3.865   2.745
   56    HD3  PRO   9           HD3      PRO   9 -11.654   3.977   1.618
   57    H    LEU  10           HN       LEU  10  -6.285   5.923   0.569
   58    HA   LEU  10           HA       LEU  10  -5.260   4.357   2.784
   59    HB2  LEU  10           HB2      LEU  10  -4.245   4.035  -0.037
   60    HB3  LEU  10           HB3      LEU  10  -3.384   3.497   1.389
   61    HG   LEU  10           HG       LEU  10  -6.153   2.529   0.831
   62   HD11  LEU  10          HD11      LEU  10  -4.513   2.218  -1.134
   63   HD12  LEU  10          HD12      LEU  10  -3.718   1.047  -0.083
   64   HD13  LEU  10          HD13      LEU  10  -5.403   0.814  -0.548
   65   HD21  LEU  10          HD21      LEU  10  -3.814   1.332   2.306
   66   HD22  LEU  10          HD22      LEU  10  -5.209   2.118   3.044
   67   HD23  LEU  10          HD23      LEU  10  -5.416   0.614   2.144
   68    H    PHE  11           HN       PHE  11  -2.967   4.835   3.192
   69    HA   PHE  11           HA       PHE  11  -2.258   7.586   2.403
   70    HB2  PHE  11           HB2      PHE  11  -2.274   6.316   5.132
   71    HB3  PHE  11           HB3      PHE  11  -1.305   7.746   4.785
   72    HD1  PHE  11           HD1      PHE  11  -4.570   6.465   5.552
   73    HD2  PHE  11           HD2      PHE  11  -2.467   9.843   4.063
   74    HE1  PHE  11           HE1      PHE  11  -6.532   7.869   5.997
   75    HE2  PHE  11           HE2      PHE  11  -4.424  11.264   4.500
   76    HZ   PHE  11           HZ       PHE  11  -6.457  10.285   5.489
   77    H    LEU  12           HN       LEU  12  -0.487   7.320   1.124
   78    HA   LEU  12           HA       LEU  12   1.432   5.226   1.751
   79    HB2  LEU  12           HB2      LEU  12   0.772   6.849  -0.581
   80    HB3  LEU  12           HB3      LEU  12   2.499   6.693  -0.331
   81    HG   LEU  12           HG       LEU  12   1.634   4.984  -1.863
   82   HD11  LEU  12          HD11      LEU  12   2.548   3.837   0.771
   83   HD12  LEU  12          HD12      LEU  12   2.657   3.055  -0.806
   84   HD13  LEU  12          HD13      LEU  12   3.599   4.509  -0.475
   85   HD21  LEU  12          HD21      LEU  12  -0.619   4.792  -0.930
   86   HD22  LEU  12          HD22      LEU  12   0.169   3.218  -1.045
   87   HD23  LEU  12          HD23      LEU  12   0.044   4.030   0.516
   88    H    VAL  13           HN       VAL  13   3.026   5.554   3.136
   89    HA   VAL  13           HA       VAL  13   4.129   8.273   3.405
   90    HB   VAL  13           HB       VAL  13   4.355   6.116   5.493
   91   HG11  VAL  13          HG11      VAL  13   4.677   8.066   6.979
   92   HG12  VAL  13          HG12      VAL  13   5.906   7.937   5.720
   93   HG13  VAL  13          HG13      VAL  13   4.603   9.115   5.563
   94   HG21  VAL  13          HG21      VAL  13   2.441   7.111   6.646
   95   HG22  VAL  13          HG22      VAL  13   2.185   8.203   5.284
   96   HG23  VAL  13          HG23      VAL  13   1.975   6.465   5.073
   97    H    GLU  14           HN       GLU  14   5.980   8.381   2.283
   98    HA   GLU  14           HA       GLU  14   7.579   6.155   1.616
   99    HB2  GLU  14           HB2      GLU  14   7.776   9.103   1.338
  100    HB3  GLU  14           HB3      GLU  14   9.260   8.182   1.181
  101    HG2  GLU  14           HG2      GLU  14   6.811   7.461  -0.373
  102    HG3  GLU  14           HG3      GLU  14   7.928   8.705  -0.928
  103    H    SER  15           HN       SER  15   9.025   5.096   2.774
  104    HA   SER  15           HA       SER  15   9.653   5.738   5.438
  105    HB2  SER  15           HB2      SER  15   9.778   3.446   4.606
  106    HB3  SER  15           HB3      SER  15  11.105   3.892   3.531
  107    HG   SER  15           HG       SER  15  11.245   3.108   6.055
  108    H    GLY  16           HN       GLY  16  11.537   6.162   2.460
  109    HA2  GLY  16           HA1      GLY  16  13.869   7.123   3.683
  110    HA3  GLY  16           HA2      GLY  16  13.388   7.450   2.024
  111    H    ASP  17           HN       ASP  17  10.989   8.837   2.554
  112    HA   ASP  17           HA       ASP  17  11.798  11.125   4.188
  113    HB2  ASP  17           HB2      ASP  17  10.911  11.355   1.304
  114    HB3  ASP  17           HB3      ASP  17  11.200  12.707   2.395
  115    H    GLU  18           HN       GLU  18  10.201  11.233   5.626
  116    HA   GLU  18           HA       GLU  18   7.597  10.264   5.249
  117    HB2  GLU  18           HB2      GLU  18   7.056  11.300   7.354
  118    HB3  GLU  18           HB3      GLU  18   8.674  10.621   7.459
  119    HG2  GLU  18           HG2      GLU  18   8.123  13.508   6.865
  120    HG3  GLU  18           HG3      GLU  18   8.382  12.879   8.491
  121    H    ALA  19           HN       ALA  19   9.064  13.181   4.254
  122    HA   ALA  19           HA       ALA  19   6.838  14.904   4.221
  123    HB1  ALA  19           HB1      ALA  19   9.272  14.880   2.441
  124    HB2  ALA  19           HB2      ALA  19   8.118  16.207   2.572
  125    HB3  ALA  19           HB3      ALA  19   9.094  15.746   3.967
  126    H    LYS  20           HN       LYS  20   7.921  12.403   2.022
  127    HA   LYS  20           HA       LYS  20   6.168  13.134  -0.106
  128    HB2  LYS  20           HB2      LYS  20   7.272  10.372   0.234
  129    HB3  LYS  20           HB3      LYS  20   6.997  11.277  -1.246
  130    HG2  LYS  20           HG2      LYS  20   9.164  11.804   0.776
  131    HG3  LYS  20           HG3      LYS  20   9.367  11.036  -0.799
  132    HD2  LYS  20           HD2      LYS  20   8.618  13.098  -1.891
  133    HD3  LYS  20           HD3      LYS  20   8.429  13.863  -0.313
  134    HE2  LYS  20           HE2      LYS  20  10.800  13.621   0.120
  135    HE3  LYS  20           HE3      LYS  20  11.015  12.766  -1.406
  136    HZ1  LYS  20           HZ1      LYS  20  10.325  14.773  -2.576
  137    HZ2  LYS  20           HZ2      LYS  20  11.675  15.074  -1.601
  138    HZ3  LYS  20           HZ3      LYS  20  10.141  15.588  -1.106
  139    H    ARG  21           HN       ARG  21   4.053  13.201   0.507
  140    HA   ARG  21           HA       ARG  21   2.888  10.696   1.524
  141    HB2  ARG  21           HB2      ARG  21   2.662  13.419   2.478
  142    HB3  ARG  21           HB3      ARG  21   1.081  12.763   2.065
  143    HG2  ARG  21           HG2      ARG  21   3.037  11.328   3.820
  144    HG3  ARG  21           HG3      ARG  21   1.796  12.427   4.435
  145    HD2  ARG  21           HD2      ARG  21   1.359   9.922   2.820
  146    HD3  ARG  21           HD3      ARG  21   0.978  10.159   4.527
  147    HE   ARG  21           HE       ARG  21  -0.561  11.997   3.587
  148   HH11  ARG  21          HH11      ARG  21  -1.380   8.883   1.212
  149   HH12  ARG  21          HH12      ARG  21   0.122   8.937   2.073
  150   HH21  ARG  21          HH21      ARG  21  -2.891  10.588   1.431
  151   HH22  ARG  21          HH22      ARG  21  -2.537  11.936   2.460
  152    H    HIS  22           HN       HIS  22   1.263   9.783   0.397
  153    HA   HIS  22           HA       HIS  22  -0.156  11.360  -1.616
  154    HB2  HIS  22           HB2      HIS  22   0.563   8.829  -2.789
  155    HB3  HIS  22           HB3      HIS  22   0.852  10.456  -3.399
  156    HD2  HIS  22           HD2      HIS  22   2.790   7.489  -2.114
  157    HE1  HIS  22           HE1      HIS  22   5.331  10.838  -1.713
  158    H    LEU  23           HN       LEU  23  -2.238  11.003  -1.256
  159    HA   LEU  23           HA       LEU  23  -3.177   8.589   0.036
  160    HB2  LEU  23           HB2      LEU  23  -4.053  11.028   0.296
  161    HB3  LEU  23           HB3      LEU  23  -4.930  10.700  -1.181
  162    HG   LEU  23           HG       LEU  23  -5.229   9.186   1.416
  163   HD11  LEU  23          HD11      LEU  23  -6.140  11.464   1.468
  164   HD12  LEU  23          HD12      LEU  23  -7.103  11.098   0.036
  165   HD13  LEU  23          HD13      LEU  23  -7.405  10.238   1.546
  166   HD21  LEU  23          HD21      LEU  23  -7.233   8.214   0.255
  167   HD22  LEU  23          HD22      LEU  23  -6.597   8.878  -1.249
  168   HD23  LEU  23          HD23      LEU  23  -5.674   7.667  -0.360
  169    H    LEU  24           HN       LEU  24  -4.019   6.837  -0.965
  170    HA   LEU  24           HA       LEU  24  -4.672   7.098  -3.825
  171    HB2  LEU  24           HB2      LEU  24  -3.375   4.699  -2.556
  172    HB3  LEU  24           HB3      LEU  24  -3.732   4.921  -4.253
  173    HG   LEU  24           HG       LEU  24  -1.745   6.555  -2.675
  174   HD11  LEU  24          HD11      LEU  24  -1.011   4.247  -2.965
  175   HD12  LEU  24          HD12      LEU  24  -1.310   4.363  -4.698
  176   HD13  LEU  24          HD13      LEU  24  -0.052   5.350  -3.953
  177   HD21  LEU  24          HD21      LEU  24  -2.762   7.791  -4.513
  178   HD22  LEU  24          HD22      LEU  24  -1.076   7.411  -4.864
  179   HD23  LEU  24          HD23      LEU  24  -2.367   6.480  -5.624
  180    H    GLN  25           HN       GLN  25  -6.471   6.142  -4.532
  181    HA   GLN  25           HA       GLN  25  -8.199   4.870  -2.533
  182    HB2  GLN  25           HB2      GLN  25  -9.866   5.288  -4.593
  183    HB3  GLN  25           HB3      GLN  25  -9.548   6.493  -3.352
  184    HG2  GLN  25           HG2      GLN  25  -9.383   7.601  -5.429
  185    HG3  GLN  25           HG3      GLN  25  -7.738   7.383  -4.828
  186   HE21  GLN  25          HE21      GLN  25  -6.393   5.842  -5.804
  187   HE22  GLN  25          HE22      GLN  25  -6.711   5.235  -7.388
  188    H    VAL  26           HN       VAL  26  -7.789   2.788  -2.552
  189    HA   VAL  26           HA       VAL  26  -8.362   1.279  -4.983
  190    HB   VAL  26           HB       VAL  26  -5.900   0.847  -3.302
  191   HG11  VAL  26          HG11      VAL  26  -6.983  -0.768  -5.597
  192   HG12  VAL  26          HG12      VAL  26  -5.388  -0.979  -4.876
  193   HG13  VAL  26          HG13      VAL  26  -6.835  -1.284  -3.918
  194   HG21  VAL  26          HG21      VAL  26  -4.678   1.287  -5.388
  195   HG22  VAL  26          HG22      VAL  26  -6.208   1.650  -6.188
  196   HG23  VAL  26          HG23      VAL  26  -5.636   2.675  -4.872
  197    H    ARG  27           HN       ARG  27  -9.401  -0.613  -4.607
  198    HA   ARG  27           HA       ARG  27 -10.887  -0.976  -2.316
  199    HB2  ARG  27           HB2      ARG  27 -10.024  -3.282  -4.053
  200    HB3  ARG  27           HB3      ARG  27 -11.511  -3.120  -3.133
  201    HG2  ARG  27           HG2      ARG  27 -12.327  -1.443  -4.621
  202    HG3  ARG  27           HG3      ARG  27 -10.776  -1.379  -5.455
  203    HD2  ARG  27           HD2      ARG  27 -11.066  -3.659  -6.233
  204    HD3  ARG  27           HD3      ARG  27 -12.579  -3.791  -5.337
  205    HE   ARG  27           HE       ARG  27 -13.085  -1.712  -6.935
  206   HH11  ARG  27          HH11      ARG  27 -12.287  -4.894  -9.231
  207   HH12  ARG  27          HH12      ARG  27 -11.671  -4.824  -7.615
  208   HH21  ARG  27          HH21      ARG  27 -13.552  -3.173 -10.055
  209   HH22  ARG  27          HH22      ARG  27 -13.901  -1.798  -9.062
  210    H    ARG  28           HN       ARG  28 -10.779  -2.329  -0.558
  211    HA   ARG  28           HA       ARG  28  -8.180  -2.717   0.527
  212    HB2  ARG  28           HB2      ARG  28  -9.298  -3.596   2.476
  213    HB3  ARG  28           HB3      ARG  28 -10.126  -2.149   1.924
  214    HG2  ARG  28           HG2      ARG  28 -11.972  -3.284   1.281
  215    HG3  ARG  28           HG3      ARG  28 -11.065  -4.750   0.931
  216    HD2  ARG  28           HD2      ARG  28 -10.787  -5.196   3.272
  217    HD3  ARG  28           HD3      ARG  28 -11.618  -3.696   3.689
  218    HE   ARG  28           HE       ARG  28 -13.435  -5.044   2.187
  219   HH11  ARG  28          HH11      ARG  28 -12.760  -6.934   5.652
  220   HH12  ARG  28          HH12      ARG  28 -11.569  -5.847   5.017
  221   HH21  ARG  28          HH21      ARG  28 -14.714  -7.290   4.512
  222   HH22  ARG  28          HH22      ARG  28 -15.009  -6.472   3.015
  223    H    SER  29           HN       SER  29 -10.609  -4.747  -0.943
  224    HA   SER  29           HA       SER  29  -9.360  -7.234  -0.349
  225    HB2  SER  29           HB2      SER  29 -11.321  -6.508  -2.538
  226    HB3  SER  29           HB3      SER  29 -10.896  -8.149  -2.055
  227    HG   SER  29           HG       SER  29 -12.844  -7.373  -1.075
  228    H    SER  30           HN       SER  30  -8.522  -4.705  -2.388
  229    HA   SER  30           HA       SER  30  -7.501  -6.090  -4.630
  230    HB2  SER  30           HB2      SER  30  -6.468  -3.530  -3.392
  231    HB3  SER  30           HB3      SER  30  -6.115  -4.108  -5.018
  232    HG   SER  30           HG       SER  30  -7.780  -2.796  -5.373
  233    H    SER  31           HN       SER  31  -5.744  -7.343  -4.854
  234    HA   SER  31           HA       SER  31  -4.209  -8.001  -2.554
  235    HB2  SER  31           HB2      SER  31  -3.000  -9.516  -3.972
  236    HB3  SER  31           HB3      SER  31  -4.706  -9.609  -4.398
  237    HG   SER  31           HG       SER  31  -2.568  -8.778  -5.897
  238    H    VAL  32           HN       VAL  32  -2.091  -7.584  -2.112
  239    HA   VAL  32           HA       VAL  32  -1.070  -5.101  -2.399
  240    HB   VAL  32           HB       VAL  32   1.008  -5.930  -1.627
  241   HG11  VAL  32          HG11      VAL  32   0.381  -7.144   0.284
  242   HG12  VAL  32          HG12      VAL  32  -1.032  -6.186  -0.160
  243   HG13  VAL  32          HG13      VAL  32  -0.972  -7.904  -0.553
  244   HG21  VAL  32          HG21      VAL  32   0.166  -8.636  -2.638
  245   HG22  VAL  32          HG22      VAL  32   1.460  -7.626  -3.284
  246   HG23  VAL  32          HG23      VAL  32   1.606  -8.322  -1.670
  247    H    ALA  33           HN       ALA  33  -0.812  -7.745  -4.693
  248    HA   ALA  33           HA       ALA  33   1.311  -6.749  -6.246
  249    HB1  ALA  33           HB1      ALA  33   0.467  -9.057  -6.373
  250    HB2  ALA  33           HB2      ALA  33  -0.990  -8.461  -7.167
  251    HB3  ALA  33           HB3      ALA  33   0.576  -8.288  -7.956
  252    H    GLN  34           HN       GLN  34  -2.203  -6.268  -6.545
  253    HA   GLN  34           HA       GLN  34  -1.930  -4.674  -8.934
  254    HB2  GLN  34           HB2      GLN  34  -4.359  -4.948  -7.164
  255    HB3  GLN  34           HB3      GLN  34  -4.316  -4.437  -8.844
  256    HG2  GLN  34           HG2      GLN  34  -3.551  -6.682  -9.487
  257    HG3  GLN  34           HG3      GLN  34  -3.665  -7.184  -7.801
  258   HE21  GLN  34          HE21      GLN  34  -5.429  -6.302 -10.659
  259   HE22  GLN  34          HE22      GLN  34  -6.972  -6.871 -10.131
  260    H    VAL  35           HN       VAL  35  -2.488  -4.173  -5.522
  261    HA   VAL  35           HA       VAL  35  -3.050  -1.433  -5.553
  262    HB   VAL  35           HB       VAL  35  -1.705  -3.119  -3.433
  263   HG11  VAL  35          HG11      VAL  35  -2.362  -1.383  -1.869
  264   HG12  VAL  35          HG12      VAL  35  -1.265  -0.755  -3.100
  265   HG13  VAL  35          HG13      VAL  35  -2.992  -0.414  -3.200
  266   HG21  VAL  35          HG21      VAL  35  -3.961  -3.866  -4.097
  267   HG22  VAL  35          HG22      VAL  35  -3.900  -3.282  -2.434
  268   HG23  VAL  35          HG23      VAL  35  -4.583  -2.265  -3.701
  269    H    LYS  36           HN       LYS  36  -0.016  -3.204  -5.152
  270    HA   LYS  36           HA       LYS  36   1.662  -0.963  -4.967
  271    HB2  LYS  36           HB2      LYS  36   2.037  -3.875  -5.486
  272    HB3  LYS  36           HB3      LYS  36   3.392  -2.780  -5.641
  273    HG2  LYS  36           HG2      LYS  36   2.956  -3.999  -3.402
  274    HG3  LYS  36           HG3      LYS  36   3.418  -2.310  -3.408
  275    HD2  LYS  36           HD2      LYS  36   1.374  -1.588  -2.732
  276    HD3  LYS  36           HD3      LYS  36   0.538  -2.943  -3.482
  277    HE2  LYS  36           HE2      LYS  36   0.651  -4.187  -1.632
  278    HE3  LYS  36           HE3      LYS  36   2.313  -3.715  -1.302
  279    HZ1  LYS  36           HZ1      LYS  36   1.490  -1.633  -0.381
  280    HZ2  LYS  36           HZ2      LYS  36   0.817  -2.954   0.433
  281    HZ3  LYS  36           HZ3      LYS  36  -0.105  -2.099  -0.698
  282    H    ALA  37           HN       ALA  37   0.288  -2.733  -7.641
  283    HA   ALA  37           HA       ALA  37   1.991  -1.897  -9.697
  284    HB1  ALA  37           HB1      ALA  37   0.147  -3.528 -10.008
  285    HB2  ALA  37           HB2      ALA  37  -1.013  -2.209  -9.862
  286    HB3  ALA  37           HB3      ALA  37   0.120  -2.240 -11.212
  287    H    MET  38           HN       MET  38  -0.749  -0.367  -8.111
  288    HA   MET  38           HA       MET  38  -0.750   2.035  -9.611
  289    HB2  MET  38           HB2      MET  38  -1.577   1.824  -6.720
  290    HB3  MET  38           HB3      MET  38  -2.211   2.902  -7.955
  291    HG2  MET  38           HG2      MET  38  -2.542  -0.077  -8.081
  292    HG3  MET  38           HG3      MET  38  -3.683   0.978  -7.250
  293    HE1  MET  38           HE1      MET  38  -5.771   0.368  -8.601
  294    HE2  MET  38           HE2      MET  38  -5.803   0.191 -10.356
  295    HE3  MET  38           HE3      MET  38  -4.822  -0.899  -9.377
  296    H    ILE  39           HN       ILE  39   0.821   0.979  -6.640
  297    HA   ILE  39           HA       ILE  39   1.960   3.339  -5.768
  298    HB   ILE  39           HB       ILE  39   3.063   0.532  -5.640
  299   HG12  ILE  39          HG12      ILE  39   0.954   0.744  -4.481
  300   HG13  ILE  39          HG13      ILE  39   2.251   0.642  -3.294
  301   HG21  ILE  39          HG21      ILE  39   4.422   1.381  -3.737
  302   HG22  ILE  39          HG22      ILE  39   4.919   1.978  -5.320
  303   HG23  ILE  39          HG23      ILE  39   3.996   3.019  -4.235
  304   HD11  ILE  39          HD11      ILE  39   2.148   3.040  -2.946
  305   HD12  ILE  39          HD12      ILE  39   0.883   3.173  -4.169
  306   HD13  ILE  39          HD13      ILE  39   0.574   2.293  -2.672
  307    H    GLU  40           HN       GLU  40   3.067   1.151  -8.316
  308    HA   GLU  40           HA       GLU  40   5.547   2.512  -8.750
  309    HB2  GLU  40           HB2      GLU  40   5.338   0.192  -9.406
  310    HB3  GLU  40           HB3      GLU  40   3.981   0.569 -10.459
  311    HG2  GLU  40           HG2      GLU  40   5.438   1.862 -11.908
  312    HG3  GLU  40           HG3      GLU  40   6.802   1.548 -10.836
  313    H    THR  41           HN       THR  41   2.298   2.721 -10.030
  314    HA   THR  41           HA       THR  41   2.814   4.355 -12.250
  315    HB   THR  41           HB       THR  41   0.275   4.885 -10.866
  316    HG1  THR  41           HG1      THR  41  -0.390   2.641 -11.492
  317   HG21  THR  41          HG21      THR  41   0.962   3.746 -13.572
  318   HG22  THR  41          HG22      THR  41   0.704   5.454 -13.215
  319   HG23  THR  41          HG23      THR  41  -0.627   4.308 -13.057
  320    H    LYS  42           HN       LYS  42   2.702   5.081  -8.858
  321    HA   LYS  42           HA       LYS  42   2.700   7.958  -9.428
  322    HB2  LYS  42           HB2      LYS  42   2.099   6.363  -6.957
  323    HB3  LYS  42           HB3      LYS  42   2.424   8.093  -6.874
  324    HG2  LYS  42           HG2      LYS  42   0.174   8.185  -7.084
  325    HG3  LYS  42           HG3      LYS  42   0.588   8.094  -8.798
  326    HD2  LYS  42           HD2      LYS  42   0.457   5.565  -8.488
  327    HD3  LYS  42           HD3      LYS  42  -0.414   5.927  -6.999
  328    HE2  LYS  42           HE2      LYS  42  -1.904   5.527  -8.937
  329    HE3  LYS  42           HE3      LYS  42  -2.106   7.124  -8.219
  330    HZ1  LYS  42           HZ1      LYS  42  -0.521   6.522 -10.657
  331    HZ2  LYS  42           HZ2      LYS  42  -0.746   8.054  -9.977
  332    HZ3  LYS  42           HZ3      LYS  42  -2.063   7.220 -10.637
  333    H    THR  43           HN       THR  43   4.611   5.428  -7.861
  334    HA   THR  43           HA       THR  43   6.697   7.390  -7.220
  335    HB   THR  43           HB       THR  43   7.732   5.703  -5.846
  336    HG1  THR  43           HG1      THR  43   6.192   4.020  -7.369
  337   HG21  THR  43          HG21      THR  43   5.932   5.263  -4.225
  338   HG22  THR  43          HG22      THR  43   4.739   5.732  -5.435
  339   HG23  THR  43          HG23      THR  43   5.889   6.922  -4.821
  340    H    GLY  44           HN       GLY  44   6.238   4.330  -8.951
  341    HA2  GLY  44           HA1      GLY  44   7.240   3.865 -11.042
  342    HA3  GLY  44           HA2      GLY  44   8.488   5.048 -10.686
  343    H    ILE  45           HN       ILE  45   8.110   3.263  -7.941
  344    HA   ILE  45           HA       ILE  45  10.554   1.823  -8.377
  345    HB   ILE  45           HB       ILE  45   8.640   1.525  -6.058
  346   HG12  ILE  45          HG12      ILE  45   9.231   3.871  -6.290
  347   HG13  ILE  45          HG13      ILE  45  10.057   3.187  -4.898
  348   HG21  ILE  45          HG21      ILE  45  10.642   0.816  -4.837
  349   HG22  ILE  45          HG22      ILE  45  10.297  -0.238  -6.209
  350   HG23  ILE  45          HG23      ILE  45  11.586   0.960  -6.318
  351   HD11  ILE  45          HD11      ILE  45  12.107   3.001  -6.226
  352   HD12  ILE  45          HD12      ILE  45  11.270   3.723  -7.599
  353   HD13  ILE  45          HD13      ILE  45  11.523   4.663  -6.128
  354    H    ILE  46           HN       ILE  46  10.775  -0.202  -9.134
  355    HA   ILE  46           HA       ILE  46   8.548  -1.647 -10.091
  356    HB   ILE  46           HB       ILE  46  10.313  -3.561 -10.260
  357   HG12  ILE  46          HG12      ILE  46  12.052  -1.147  -9.697
  358   HG13  ILE  46          HG13      ILE  46  11.947  -2.609  -8.725
  359   HG21  ILE  46          HG21      ILE  46  10.572  -0.997 -11.822
  360   HG22  ILE  46          HG22      ILE  46  11.152  -2.582 -12.334
  361   HG23  ILE  46          HG23      ILE  46   9.424  -2.299 -12.135
  362   HD11  ILE  46          HD11      ILE  46  13.954  -2.690 -10.006
  363   HD12  ILE  46          HD12      ILE  46  12.834  -3.883 -10.663
  364   HD13  ILE  46          HD13      ILE  46  13.076  -2.348 -11.497
  365    HA   PRO  47           HA       PRO  47   6.930  -3.967  -6.705
  366    HB2  PRO  47           HB2      PRO  47   7.164  -6.231  -8.649
  367    HB3  PRO  47           HB3      PRO  47   5.809  -5.767  -7.629
  368    HG2  PRO  47           HG2      PRO  47   5.763  -5.166 -10.189
  369    HG3  PRO  47           HG3      PRO  47   5.220  -3.972  -8.991
  370    HD2  PRO  47           HD2      PRO  47   7.770  -4.094 -10.526
  371    HD3  PRO  47           HD3      PRO  47   6.816  -2.680 -10.035
  372    H    GLU  48           HN       GLU  48   9.374  -5.705  -8.609
  373    HA   GLU  48           HA       GLU  48  10.188  -7.559  -6.736
  374    HB2  GLU  48           HB2      GLU  48  12.272  -7.733  -7.985
  375    HB3  GLU  48           HB3      GLU  48  10.900  -7.595  -9.074
  376    HG2  GLU  48           HG2      GLU  48  11.405  -5.215  -9.386
  377    HG3  GLU  48           HG3      GLU  48  12.806  -5.389  -8.329
  378    H    THR  49           HN       THR  49  10.571  -4.202  -6.490
  379    HA   THR  49           HA       THR  49  12.656  -4.543  -4.445
  380    HB   THR  49           HB       THR  49  13.017  -2.022  -4.874
  381    HG1  THR  49           HG1      THR  49  12.634  -1.694  -7.269
  382   HG21  THR  49          HG21      THR  49  14.702  -3.699  -5.369
  383   HG22  THR  49          HG22      THR  49  14.647  -2.496  -6.657
  384   HG23  THR  49          HG23      THR  49  13.901  -4.077  -6.895
  385    H    GLN  50           HN       GLN  50   9.492  -3.491  -5.203
  386    HA   GLN  50           HA       GLN  50   9.037  -1.571  -3.218
  387    HB2  GLN  50           HB2      GLN  50   7.188  -3.509  -4.591
  388    HB3  GLN  50           HB3      GLN  50   6.625  -2.297  -3.462
  389    HG2  GLN  50           HG2      GLN  50   7.847  -0.629  -5.032
  390    HG3  GLN  50           HG3      GLN  50   7.747  -1.947  -6.200
  391   HE21  GLN  50          HE21      GLN  50   6.320  -0.887  -7.544
  392   HE22  GLN  50          HE22      GLN  50   4.679  -0.571  -7.110
  393    H    ILE  51           HN       ILE  51   9.106  -1.777  -1.095
  394    HA   ILE  51           HA       ILE  51   8.160  -4.280   0.125
  395    HB   ILE  51           HB       ILE  51  10.429  -2.607   1.218
  396   HG12  ILE  51          HG12      ILE  51  11.093  -3.766  -0.824
  397   HG13  ILE  51          HG13      ILE  51  11.908  -4.434   0.571
  398   HG21  ILE  51          HG21      ILE  51   9.336  -3.694   2.993
  399   HG22  ILE  51          HG22      ILE  51   9.159  -5.186   2.065
  400   HG23  ILE  51          HG23      ILE  51  10.753  -4.674   2.613
  401   HD11  ILE  51          HD11      ILE  51  11.187  -6.159  -0.998
  402   HD12  ILE  51          HD12      ILE  51  10.385  -6.323   0.564
  403   HD13  ILE  51          HD13      ILE  51   9.517  -5.632  -0.806
  404    H    VAL  52           HN       VAL  52   6.206  -3.585   0.740
  405    HA   VAL  52           HA       VAL  52   6.002  -1.083   2.237
  406    HB   VAL  52           HB       VAL  52   3.452  -1.734   1.965
  407   HG11  VAL  52          HG11      VAL  52   3.390  -0.346  -0.074
  408   HG12  VAL  52          HG12      VAL  52   4.429   0.344   1.174
  409   HG13  VAL  52          HG13      VAL  52   5.142  -0.495  -0.203
  410   HG21  VAL  52          HG21      VAL  52   4.477  -3.804   0.688
  411   HG22  VAL  52          HG22      VAL  52   2.905  -3.114   0.323
  412   HG23  VAL  52          HG23      VAL  52   4.299  -2.690  -0.666
  413    H    THR  53           HN       THR  53   4.345  -1.098   3.944
  414    HA   THR  53           HA       THR  53   4.088  -3.589   5.424
  415    HB   THR  53           HB       THR  53   4.960  -1.822   7.414
  416    HG1  THR  53           HG1      THR  53   5.969  -0.667   5.596
  417   HG21  THR  53          HG21      THR  53   5.527  -3.966   7.871
  418   HG22  THR  53          HG22      THR  53   7.068  -3.452   7.178
  419   HG23  THR  53          HG23      THR  53   5.910  -4.341   6.189
  420    H    LEU  54           HN       LEU  54   2.349  -3.719   6.552
  421    HA   LEU  54           HA       LEU  54   0.619  -1.391   6.836
  422    HB2  LEU  54           HB2      LEU  54   0.259  -4.236   6.492
  423    HB3  LEU  54           HB3      LEU  54  -0.597  -3.690   7.915
  424    HG   LEU  54           HG       LEU  54  -2.071  -3.684   6.030
  425   HD11  LEU  54          HD11      LEU  54  -2.849  -1.377   6.080
  426   HD12  LEU  54          HD12      LEU  54  -2.364  -1.905   7.692
  427   HD13  LEU  54          HD13      LEU  54  -1.300  -0.860   6.747
  428   HD21  LEU  54          HD21      LEU  54  -1.649  -2.119   4.137
  429   HD22  LEU  54          HD22      LEU  54  -0.001  -1.948   4.742
  430   HD23  LEU  54          HD23      LEU  54  -0.585  -3.523   4.207
  431    H    ASN  55           HN       ASN  55  -0.796  -2.125   9.117
  432    HA   ASN  55           HA       ASN  55   0.752  -1.079  11.167
  433    HB2  ASN  55           HB2      ASN  55  -1.033  -2.317  12.644
  434    HB3  ASN  55           HB3      ASN  55  -1.531  -1.001  11.582
  435   HD21  ASN  55          HD21      ASN  55  -2.514  -1.522   9.578
  436   HD22  ASN  55          HD22      ASN  55  -3.336  -3.024   9.358
  437    H    GLY  56           HN       GLY  56   2.736  -2.020  11.442
  438    HA2  GLY  56           HA1      GLY  56   4.287  -3.459  12.298
  439    HA3  GLY  56           HA2      GLY  56   2.972  -4.197  13.196
  440    H    LYS  57           HN       LYS  57   2.107  -4.459  10.023
  441    HA   LYS  57           HA       LYS  57   3.318  -7.140   9.842
  442    HB2  LYS  57           HB2      LYS  57   0.667  -6.068   8.949
  443    HB3  LYS  57           HB3      LYS  57   1.368  -7.448   8.119
  444    HG2  LYS  57           HG2      LYS  57  -0.216  -8.101   9.879
  445    HG3  LYS  57           HG3      LYS  57   1.413  -8.714  10.179
  446    HD2  LYS  57           HD2      LYS  57   1.796  -6.760  11.655
  447    HD3  LYS  57           HD3      LYS  57   0.096  -6.349  11.468
  448    HE2  LYS  57           HE2      LYS  57   0.750  -9.114  12.280
  449    HE3  LYS  57           HE3      LYS  57   1.025  -7.835  13.454
  450    HZ1  LYS  57           HZ1      LYS  57  -1.276  -7.157  13.224
  451    HZ2  LYS  57           HZ2      LYS  57  -1.193  -8.788  13.664
  452    HZ3  LYS  57           HZ3      LYS  57  -1.544  -8.360  12.065
  453    H    ARG  58           HN       ARG  58   3.868  -7.916   7.654
  454    HA   ARG  58           HA       ARG  58   4.734  -5.682   5.969
  455    HB2  ARG  58           HB2      ARG  58   6.611  -6.824   5.392
  456    HB3  ARG  58           HB3      ARG  58   6.321  -7.559   6.953
  457    HG2  ARG  58           HG2      ARG  58   6.017  -9.566   6.071
  458    HG3  ARG  58           HG3      ARG  58   4.937  -8.931   4.833
  459    HD2  ARG  58           HD2      ARG  58   6.725  -9.758   3.596
  460    HD3  ARG  58           HD3      ARG  58   7.075  -8.032   3.723
  461    HE   ARG  58           HE       ARG  58   8.313  -9.357   5.860
  462   HH11  ARG  58          HH11      ARG  58  10.249  -9.420   2.353
  463   HH12  ARG  58          HH12      ARG  58   8.549  -9.090   2.392
  464   HH21  ARG  58          HH21      ARG  58  11.386  -9.820   4.299
  465   HH22  ARG  58          HH22      ARG  58  10.551  -9.793   5.817
  466    H    LEU  59           HN       LEU  59   4.495  -5.811   3.720
  467    HA   LEU  59           HA       LEU  59   2.017  -7.128   2.973
  468    HB2  LEU  59           HB2      LEU  59   3.719  -5.000   1.762
  469    HB3  LEU  59           HB3      LEU  59   2.513  -5.799   0.786
  470    HG   LEU  59           HG       LEU  59   1.839  -3.622   1.811
  471   HD11  LEU  59          HD11      LEU  59   0.082  -4.946   1.017
  472   HD12  LEU  59          HD12      LEU  59   0.275  -6.126   2.315
  473   HD13  LEU  59          HD13      LEU  59  -0.380  -4.527   2.666
  474   HD21  LEU  59          HD21      LEU  59   1.520  -5.149   4.355
  475   HD22  LEU  59          HD22      LEU  59   2.980  -4.221   4.009
  476   HD23  LEU  59          HD23      LEU  59   1.418  -3.408   4.084
  477    H    GLU  60           HN       GLU  60   2.025  -9.060   2.197
  478    HA   GLU  60           HA       GLU  60   4.366 -10.050   0.726
  479    HB2  GLU  60           HB2      GLU  60   2.154 -11.572   2.115
  480    HB3  GLU  60           HB3      GLU  60   3.522 -12.296   1.291
  481    HG2  GLU  60           HG2      GLU  60   5.029 -11.144   2.885
  482    HG3  GLU  60           HG3      GLU  60   3.605 -10.580   3.755
  483    H    ASP  61           HN       ASP  61   4.160 -11.000  -1.272
  484    HA   ASP  61           HA       ASP  61   2.142 -10.087  -2.978
  485    HB2  ASP  61           HB2      ASP  61   4.054 -12.403  -3.331
  486    HB3  ASP  61           HB3      ASP  61   3.074 -11.709  -4.618
  487    H    GLY  62           HN       GLY  62   0.282 -10.956  -3.761
  488    HA2  GLY  62           HA1      GLY  62  -1.301 -12.660  -4.156
  489    HA3  GLY  62           HA2      GLY  62  -0.466 -13.676  -2.990
  490    H    LYS  63           HN       LYS  63  -0.375 -11.602  -0.941
  491    HA   LYS  63           HA       LYS  63  -2.913 -12.112   0.257
  492    HB2  LYS  63           HB2      LYS  63  -0.383 -11.438   1.168
  493    HB3  LYS  63           HB3      LYS  63  -1.348 -10.011   1.525
  494    HG2  LYS  63           HG2      LYS  63  -1.425 -11.407   3.431
  495    HG3  LYS  63           HG3      LYS  63  -2.998 -11.525   2.644
  496    HD2  LYS  63           HD2      LYS  63  -2.742 -13.707   2.208
  497    HD3  LYS  63           HD3      LYS  63  -1.071 -13.487   1.682
  498    HE2  LYS  63           HE2      LYS  63  -2.005 -13.609   4.541
  499    HE3  LYS  63           HE3      LYS  63  -1.243 -14.933   3.663
  500    HZ1  LYS  63           HZ1      LYS  63   0.001 -12.305   4.269
  501    HZ2  LYS  63           HZ2      LYS  63   0.736 -13.559   3.406
  502    HZ3  LYS  63           HZ3      LYS  63   0.354 -13.769   5.041
  503    H    MET  64           HN       MET  64  -4.486 -10.614   0.903
  504    HA   MET  64           HA       MET  64  -4.662  -8.258  -0.824
  505    HB2  MET  64           HB2      MET  64  -7.009  -8.743   0.764
  506    HB3  MET  64           HB3      MET  64  -6.835  -8.722  -0.976
  507    HG2  MET  64           HG2      MET  64  -6.178 -11.054  -0.970
  508    HG3  MET  64           HG3      MET  64  -6.274 -11.084   0.789
  509    HE1  MET  64           HE1      MET  64  -7.870 -13.146   0.816
  510    HE2  MET  64           HE2      MET  64  -9.356 -13.266  -0.126
  511    HE3  MET  64           HE3      MET  64  -7.794 -13.246  -0.943
  512    H    MET  65           HN       MET  65  -5.301  -6.217   0.059
  513    HA   MET  65           HA       MET  65  -4.033  -5.502   2.455
  514    HB2  MET  65           HB2      MET  65  -6.429  -3.952   1.548
  515    HB3  MET  65           HB3      MET  65  -4.903  -3.362   2.187
  516    HG2  MET  65           HG2      MET  65  -3.932  -4.303  -0.035
  517    HG3  MET  65           HG3      MET  65  -5.608  -4.203  -0.576
  518    HE1  MET  65           HE1      MET  65  -6.933  -1.361  -0.523
  519    HE2  MET  65           HE2      MET  65  -6.655  -1.979   1.102
  520    HE3  MET  65           HE3      MET  65  -6.115  -0.359   0.674
  521    H    ALA  66           HN       ALA  66  -7.292  -6.520   1.736
  522    HA   ALA  66           HA       ALA  66  -8.541  -5.971   4.176
  523    HB1  ALA  66           HB1      ALA  66  -9.104  -8.261   2.291
  524    HB2  ALA  66           HB2      ALA  66 -10.200  -7.623   3.517
  525    HB3  ALA  66           HB3      ALA  66  -9.745  -6.625   2.137
  526    H    ASP  67           HN       ASP  67  -6.487  -8.640   3.183
  527    HA   ASP  67           HA       ASP  67  -7.021 -10.409   5.295
  528    HB2  ASP  67           HB2      ASP  67  -5.768 -11.091   3.314
  529    HB3  ASP  67           HB3      ASP  67  -4.456  -9.997   3.742
  530    H    TYR  68           HN       TYR  68  -5.234  -7.464   5.199
  531    HA   TYR  68           HA       TYR  68  -3.809  -7.989   7.676
  532    HB2  TYR  68           HB2      TYR  68  -3.926  -5.531   5.919
  533    HB3  TYR  68           HB3      TYR  68  -2.867  -5.730   7.316
  534    HD1  TYR  68           HD1      TYR  68  -3.519  -6.822   3.869
  535    HD2  TYR  68           HD2      TYR  68  -0.913  -7.133   7.216
  536    HE1  TYR  68           HE1      TYR  68  -1.841  -7.924   2.448
  537    HE2  TYR  68           HE2      TYR  68   0.778  -8.231   5.811
  538    HH   TYR  68           HH       TYR  68   0.869  -9.520   3.720
  539    H    GLY  69           HN       GLY  69  -6.893  -7.201   7.012
  540    HA2  GLY  69           HA1      GLY  69  -8.591  -6.271   8.247
  541    HA3  GLY  69           HA2      GLY  69  -7.497  -6.351   9.623
  542    H    ILE  70           HN       ILE  70  -7.122  -4.539   6.605
  543    HA   ILE  70           HA       ILE  70  -6.329  -2.168   7.908
  544    HB   ILE  70           HB       ILE  70  -6.373  -1.138   5.769
  545   HG12  ILE  70          HG12      ILE  70  -7.834  -3.581   4.840
  546   HG13  ILE  70          HG13      ILE  70  -8.558  -1.995   5.072
  547   HG21  ILE  70          HG21      ILE  70  -4.506  -2.586   6.187
  548   HG22  ILE  70          HG22      ILE  70  -5.439  -3.996   5.685
  549   HG23  ILE  70          HG23      ILE  70  -4.991  -2.767   4.502
  550   HD11  ILE  70          HD11      ILE  70  -6.210  -2.244   3.317
  551   HD12  ILE  70          HD12      ILE  70  -7.781  -2.798   2.722
  552   HD13  ILE  70          HD13      ILE  70  -7.568  -1.125   3.248
  553    H    ARG  71           HN       ARG  71  -7.492  -0.044   7.010
  554    HA   ARG  71           HA       ARG  71 -10.388  -0.245   7.404
  555    HB2  ARG  71           HB2      ARG  71 -10.356   1.625   8.957
  556    HB3  ARG  71           HB3      ARG  71  -9.351   0.319   9.566
  557    HG2  ARG  71           HG2      ARG  71  -7.363   1.471   8.967
  558    HG3  ARG  71           HG3      ARG  71  -8.271   2.702   8.089
  559    HD2  ARG  71           HD2      ARG  71  -8.474   2.191  11.054
  560    HD3  ARG  71           HD3      ARG  71  -7.490   3.454  10.317
  561    HE   ARG  71           HE       ARG  71 -10.255   3.557   9.547
  562   HH11  ARG  71          HH11      ARG  71  -8.848   5.875  12.492
  563   HH12  ARG  71          HH12      ARG  71  -7.921   4.517  11.948
  564   HH21  ARG  71          HH21      ARG  71 -10.873   6.344  11.530
  565   HH22  ARG  71          HH22      ARG  71 -11.481   5.343  10.255
  566    H    LYS  72           HN       LYS  72 -11.480   1.868   6.833
  567    HA   LYS  72           HA       LYS  72 -10.806   2.679   4.249
  568    HB2  LYS  72           HB2      LYS  72 -12.235   4.670   5.909
  569    HB3  LYS  72           HB3      LYS  72 -12.656   4.008   4.341
  570    HG2  LYS  72           HG2      LYS  72 -12.990   2.566   6.962
  571    HG3  LYS  72           HG3      LYS  72 -14.269   3.436   6.113
  572    HD2  LYS  72           HD2      LYS  72 -13.968   1.951   4.183
  573    HD3  LYS  72           HD3      LYS  72 -12.734   1.058   5.072
  574    HE2  LYS  72           HE2      LYS  72 -14.414   0.516   6.796
  575    HE3  LYS  72           HE3      LYS  72 -15.639   1.342   5.834
  576    HZ1  LYS  72           HZ1      LYS  72 -14.086  -1.044   4.989
  577    HZ2  LYS  72           HZ2      LYS  72 -15.241  -0.246   4.047
  578    HZ3  LYS  72           HZ3      LYS  72 -15.708  -1.035   5.467
  579    H    GLY  73           HN       GLY  73  -8.945   3.662   3.702
  580    HA2  GLY  73           HA1      GLY  73  -7.350   5.337   3.643
  581    HA3  GLY  73           HA2      GLY  73  -8.248   6.176   4.901
  582    H    ASN  74           HN       ASN  74  -6.742   2.942   4.826
  583    HA   ASN  74           HA       ASN  74  -5.678   3.340   7.455
  584    HB2  ASN  74           HB2      ASN  74  -6.454   1.126   6.257
  585    HB3  ASN  74           HB3      ASN  74  -4.785   1.091   5.696
  586   HD21  ASN  74          HD21      ASN  74  -5.643   2.498   8.749
  587   HD22  ASN  74          HD22      ASN  74  -4.969   1.259   9.744
  588    H    LEU  75           HN       LEU  75  -3.432   3.139   8.006
  589    HA   LEU  75           HA       LEU  75  -1.794   4.799   6.333
  590    HB2  LEU  75           HB2      LEU  75  -1.332   3.475   8.993
  591    HB3  LEU  75           HB3      LEU  75  -0.074   4.370   8.166
  592    HG   LEU  75           HG       LEU  75  -2.673   5.451   9.250
  593   HD11  LEU  75          HD11      LEU  75  -0.878   5.096  10.877
  594   HD12  LEU  75          HD12      LEU  75   0.207   6.074   9.887
  595   HD13  LEU  75          HD13      LEU  75  -1.210   6.812  10.637
  596   HD21  LEU  75          HD21      LEU  75  -2.258   6.528   7.120
  597   HD22  LEU  75          HD22      LEU  75  -1.902   7.648   8.434
  598   HD23  LEU  75          HD23      LEU  75  -0.585   6.847   7.577
  599    H    LEU  76           HN       LEU  76  -0.119   4.276   5.103
  600    HA   LEU  76           HA       LEU  76   0.777   1.474   5.027
  601    HB2  LEU  76           HB2      LEU  76   0.420   3.266   2.622
  602    HB3  LEU  76           HB3      LEU  76   0.961   1.600   2.609
  603    HG   LEU  76           HG       LEU  76  -1.805   2.566   3.338
  604   HD11  LEU  76          HD11      LEU  76  -1.467   2.720   0.985
  605   HD12  LEU  76          HD12      LEU  76  -0.688   1.139   0.933
  606   HD13  LEU  76          HD13      LEU  76  -2.410   1.262   1.288
  607   HD21  LEU  76          HD21      LEU  76  -1.199   0.611   4.655
  608   HD22  LEU  76          HD22      LEU  76  -2.388   0.186   3.423
  609   HD23  LEU  76          HD23      LEU  76  -0.691  -0.234   3.192
  610    H    PHE  77           HN       PHE  77   2.963   1.172   4.736
  611    HA   PHE  77           HA       PHE  77   4.588   3.628   4.576
  612    HB2  PHE  77           HB2      PHE  77   5.105   1.085   6.134
  613    HB3  PHE  77           HB3      PHE  77   6.315   2.340   5.891
  614    HD1  PHE  77           HD1      PHE  77   6.247   4.379   7.120
  615    HD2  PHE  77           HD2      PHE  77   3.105   1.534   7.488
  616    HE1  PHE  77           HE1      PHE  77   5.397   5.581   9.090
  617    HE2  PHE  77           HE2      PHE  77   2.247   2.731   9.459
  618    HZ   PHE  77           HZ       PHE  77   3.395   4.771  10.256
  619    H    LEU  78           HN       LEU  78   5.939   3.760   2.912
  620    HA   LEU  78           HA       LEU  78   6.295   1.395   1.226
  621    HB2  LEU  78           HB2      LEU  78   5.723   4.061   0.663
  622    HB3  LEU  78           HB3      LEU  78   7.393   3.867   0.178
  623    HG   LEU  78           HG       LEU  78   5.046   2.258  -0.813
  624   HD11  LEU  78          HD11      LEU  78   5.639   3.329  -2.978
  625   HD12  LEU  78          HD12      LEU  78   5.045   4.458  -1.759
  626   HD13  LEU  78          HD13      LEU  78   6.771   4.360  -2.104
  627   HD21  LEU  78          HD21      LEU  78   7.020   0.863  -0.683
  628   HD22  LEU  78          HD22      LEU  78   6.662   1.250  -2.366
  629   HD23  LEU  78          HD23      LEU  78   7.967   2.087  -1.525
  630    H    ALA  79           HN       ALA  79   8.259   0.598   0.645
  631    HA   ALA  79           HA       ALA  79  10.718   1.910   1.440
  632    HB1  ALA  79           HB1      ALA  79   9.920   0.609   3.452
  633    HB2  ALA  79           HB2      ALA  79  10.163  -0.853   2.495
  634    HB3  ALA  79           HB3      ALA  79  11.532   0.196   2.866
  635    H    SER  80           HN       SER  80  12.642   0.432   0.791
  636    HA   SER  80           HA       SER  80  11.947  -1.314  -1.448
  637    HB2  SER  80           HB2      SER  80  13.972  -0.139  -2.663
  638    HB3  SER  80           HB3      SER  80  12.345   0.532  -2.766
  639    HG   SER  80           HG       SER  80  14.557   1.419  -1.275
  640    H    TYR  81           HN       TYR  81  13.678  -2.688  -2.161
  641    HA   TYR  81           HA       TYR  81  15.000  -4.023  -0.160
  642    HB2  TYR  81           HB2      TYR  81  15.075  -3.996  -3.061
  643    HB3  TYR  81           HB3      TYR  81  16.614  -4.464  -2.354
  644    HD1  TYR  81           HD1      TYR  81  13.051  -5.338  -2.659
  645    HD2  TYR  81           HD2      TYR  81  16.861  -6.559  -1.213
  646    HE1  TYR  81           HE1      TYR  81  12.182  -7.612  -2.305
  647    HE2  TYR  81           HE2      TYR  81  16.003  -8.835  -0.853
  648    HH   TYR  81           HH       TYR  81  13.068  -9.916  -2.134
  649    H    SER  82           HN       SER  82  16.083  -1.237  -1.987
  650    HA   SER  82           HA       SER  82  18.793  -1.353  -1.075
  651    HB2  SER  82           HB2      SER  82  17.241   0.941  -2.300
  652    HB3  SER  82           HB3      SER  82  18.989   0.898  -2.068
  653    HG   SER  82           HG       SER  82  17.716   0.070  -4.155
  654    H    ILE  83           HN       ILE  83  16.421   1.247  -0.525
  655    HA   ILE  83           HA       ILE  83  17.420   1.442   2.243
  656    HB   ILE  83           HB       ILE  83  16.399   3.705   0.523
  657   HG12  ILE  83          HG12      ILE  83  18.592   2.908  -0.239
  658   HG13  ILE  83          HG13      ILE  83  18.723   4.498   0.505
  659   HG21  ILE  83          HG21      ILE  83  15.919   4.042   2.876
  660   HG22  ILE  83          HG22      ILE  83  17.600   3.705   3.288
  661   HG23  ILE  83          HG23      ILE  83  17.193   5.142   2.349
  662   HD11  ILE  83          HD11      ILE  83  19.435   1.875   1.799
  663   HD12  ILE  83          HD12      ILE  83  20.565   3.067   1.160
  664   HD13  ILE  83          HD13      ILE  83  19.561   3.465   2.553
  665    H    GLY  84           HN       GLY  84  15.954   1.315   3.835
  666    HA2  GLY  84           HA1      GLY  84  13.323   2.259   3.753
  667    HA3  GLY  84           HA2      GLY  84  13.287   0.561   3.302
  668    H    GLY  85           HN       GLY  85  14.919   2.571   5.764
  669    HA2  GLY  85           HA1      GLY  85  13.752   1.913   8.051
  670    HA3  GLY  85           HA2      GLY  85  14.594   0.411   7.700
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1 -27.827 -10.754   3.433
    2    H2   GLY   1           H2       GLY   1 -26.356 -10.970   2.628
    3    H3   GLY   1           H3       GLY   1 -27.343  -9.652   2.243
    4    HA2  GLY   1           HA2      GLY   1 -27.020  -8.717   4.444
    5    HA3  GLY   1           HA1      GLY   1 -26.007 -10.093   4.857
    6    H    ALA   2           HN       ALA   2 -24.038  -9.221   5.118
    7    HA   ALA   2           HA       ALA   2 -23.050  -7.128   3.414
    8    HB1  ALA   2           HB1      ALA   2 -22.435  -7.233   5.780
    9    HB2  ALA   2           HB2      ALA   2 -21.608  -8.764   5.498
   10    HB3  ALA   2           HB3      ALA   2 -21.012  -7.287   4.741
   11    H    MET   3           HN       MET   3 -22.231  -7.441   1.461
   12    HA   MET   3           HA       MET   3 -20.358  -9.577   0.961
   13    HB2  MET   3           HB2      MET   3 -22.587 -10.642   0.585
   14    HB3  MET   3           HB3      MET   3 -22.898  -9.456  -0.673
   15    HG2  MET   3           HG2      MET   3 -22.178 -11.529  -1.657
   16    HG3  MET   3           HG3      MET   3 -20.956 -10.286  -1.919
   17    HE1  MET   3           HE1      MET   3 -20.370 -13.422  -2.307
   18    HE2  MET   3           HE2      MET   3 -19.203 -12.130  -2.586
   19    HE3  MET   3           HE3      MET   3 -18.771 -13.506  -1.569
   20    H    GLY   4           HN       GLY   4 -21.881  -6.615   0.195
   21    HA2  GLY   4           HA1      GLY   4 -20.130  -6.241  -2.147
   22    HA3  GLY   4           HA2      GLY   4 -21.593  -5.322  -1.827
   23    H    ASP   5           HN       ASP   5 -18.766  -4.501  -2.318
   24    HA   ASP   5           HA       ASP   5 -18.667  -2.441  -0.322
   25    HB2  ASP   5           HB2      ASP   5 -16.399  -2.959   0.490
   26    HB3  ASP   5           HB3      ASP   5 -17.541  -4.231   0.908
   27    H    GLU   6           HN       GLU   6 -17.538  -0.661  -1.014
   28    HA   GLU   6           HA       GLU   6 -16.549  -0.798  -3.766
   29    HB2  GLU   6           HB2      GLU   6 -17.029   1.695  -2.142
   30    HB3  GLU   6           HB3      GLU   6 -16.874   1.560  -3.886
   31    HG2  GLU   6           HG2      GLU   6 -19.132   0.430  -2.249
   32    HG3  GLU   6           HG3      GLU   6 -19.187   1.927  -3.179
   33    H    GLU   7           HN       GLU   7 -14.798   1.064  -4.111
   34    HA   GLU   7           HA       GLU   7 -12.419   0.132  -2.994
   35    HB2  GLU   7           HB2      GLU   7 -12.859   2.821  -4.257
   36    HB3  GLU   7           HB3      GLU   7 -11.370   1.887  -4.204
   37    HG2  GLU   7           HG2      GLU   7 -12.088   1.456  -6.299
   38    HG3  GLU   7           HG3      GLU   7 -12.790   0.100  -5.451
   39    H    LEU   8           HN       LEU   8 -10.952   1.097  -1.528
   40    HA   LEU   8           HA       LEU   8 -12.102   3.170   0.214
   41    HB2  LEU   8           HB2      LEU   8 -10.588   0.700   1.054
   42    HB3  LEU   8           HB3      LEU   8 -10.917   2.050   2.123
   43    HG   LEU   8           HG       LEU   8 -12.948   0.206   0.865
   44   HD11  LEU   8          HD11      LEU   8 -13.432  -0.401   3.177
   45   HD12  LEU   8          HD12      LEU   8 -11.747  -0.730   2.771
   46   HD13  LEU   8          HD13      LEU   8 -12.161   0.690   3.735
   47   HD21  LEU   8          HD21      LEU   8 -14.620   1.477   2.151
   48   HD22  LEU   8          HD22      LEU   8 -13.373   2.643   2.592
   49   HD23  LEU   8          HD23      LEU   8 -13.850   2.457   0.905
   50    HA   PRO   9           HA       PRO   9  -8.384   5.410  -0.592
   51    HB2  PRO   9           HB2      PRO   9  -8.669   6.549   2.114
   52    HB3  PRO   9           HB3      PRO   9  -8.672   7.362   0.547
   53    HG2  PRO   9           HG2      PRO   9 -10.917   7.085   1.982
   54    HG3  PRO   9           HG3      PRO   9 -10.927   6.999   0.210
   55    HD2  PRO   9           HD2      PRO   9 -11.042   4.779   2.215
   56    HD3  PRO   9           HD3      PRO   9 -11.926   4.963   0.688
   57    H    LEU  10           HN       LEU  10  -6.247   5.869   0.352
   58    HA   LEU  10           HA       LEU  10  -5.381   4.273   2.607
   59    HB2  LEU  10           HB2      LEU  10  -4.517   3.709  -0.221
   60    HB3  LEU  10           HB3      LEU  10  -3.516   3.287   1.153
   61    HG   LEU  10           HG       LEU  10  -6.343   2.310   0.869
   62   HD11  LEU  10          HD11      LEU  10  -5.495   0.267  -0.079
   63   HD12  LEU  10          HD12      LEU  10  -4.998   1.623  -1.091
   64   HD13  LEU  10          HD13      LEU  10  -3.840   0.872   0.008
   65   HD21  LEU  10          HD21      LEU  10  -4.042   1.115   2.392
   66   HD22  LEU  10          HD22      LEU  10  -5.176   2.267   3.100
   67   HD23  LEU  10          HD23      LEU  10  -5.754   0.710   2.508
   68    H    PHE  11           HN       PHE  11  -3.049   4.624   3.037
   69    HA   PHE  11           HA       PHE  11  -2.198   7.294   2.123
   70    HB2  PHE  11           HB2      PHE  11  -2.256   6.128   4.893
   71    HB3  PHE  11           HB3      PHE  11  -1.167   7.453   4.490
   72    HD1  PHE  11           HD1      PHE  11  -4.309   6.631   5.765
   73    HD2  PHE  11           HD2      PHE  11  -2.356   9.480   3.284
   74    HE1  PHE  11           HE1      PHE  11  -6.133   8.230   6.172
   75    HE2  PHE  11           HE2      PHE  11  -4.167  11.085   3.684
   76    HZ   PHE  11           HZ       PHE  11  -6.061  10.454   5.193
   77    H    LEU  12           HN       LEU  12  -0.192   7.420   1.351
   78    HA   LEU  12           HA       LEU  12   1.587   5.119   1.808
   79    HB2  LEU  12           HB2      LEU  12   1.134   6.907  -0.518
   80    HB3  LEU  12           HB3      LEU  12   2.763   6.316  -0.261
   81    HG   LEU  12           HG       LEU  12   1.452   4.934  -1.843
   82   HD11  LEU  12          HD11      LEU  12   2.258   3.564   0.718
   83   HD12  LEU  12          HD12      LEU  12   2.028   2.771  -0.840
   84   HD13  LEU  12          HD13      LEU  12   3.318   3.956  -0.635
   85   HD21  LEU  12          HD21      LEU  12  -0.330   3.507  -1.003
   86   HD22  LEU  12          HD22      LEU  12  -0.193   4.253   0.590
   87   HD23  LEU  12          HD23      LEU  12  -0.743   5.208  -0.786
   88    H    VAL  13           HN       VAL  13   3.085   5.464   3.262
   89    HA   VAL  13           HA       VAL  13   4.203   8.167   3.567
   90    HB   VAL  13           HB       VAL  13   4.622   6.006   5.592
   91   HG11  VAL  13          HG11      VAL  13   4.305   8.996   5.793
   92   HG12  VAL  13          HG12      VAL  13   4.697   7.903   7.120
   93   HG13  VAL  13          HG13      VAL  13   5.833   8.115   5.787
   94   HG21  VAL  13          HG21      VAL  13   2.558   6.784   6.761
   95   HG22  VAL  13          HG22      VAL  13   2.115   7.655   5.292
   96   HG23  VAL  13          HG23      VAL  13   2.249   5.896   5.267
   97    H    GLU  14           HN       GLU  14   6.045   8.354   2.445
   98    HA   GLU  14           HA       GLU  14   7.682   6.179   1.693
   99    HB2  GLU  14           HB2      GLU  14   7.758   9.119   1.447
  100    HB3  GLU  14           HB3      GLU  14   9.320   8.321   1.397
  101    HG2  GLU  14           HG2      GLU  14   6.992   7.573  -0.348
  102    HG3  GLU  14           HG3      GLU  14   8.257   8.703  -0.819
  103    H    SER  15           HN       SER  15   9.322   5.199   2.686
  104    HA   SER  15           HA       SER  15   9.857   5.602   5.413
  105    HB2  SER  15           HB2      SER  15  10.198   3.438   4.306
  106    HB3  SER  15           HB3      SER  15  11.514   4.127   3.356
  107    HG   SER  15           HG       SER  15  12.752   3.640   4.967
  108    H    GLY  16           HN       GLY  16  11.822   6.387   2.553
  109    HA2  GLY  16           HA1      GLY  16  13.980   7.497   3.932
  110    HA3  GLY  16           HA2      GLY  16  13.531   7.897   2.280
  111    H    ASP  17           HN       ASP  17  11.178   9.157   2.502
  112    HA   ASP  17           HA       ASP  17  11.664  11.368   4.384
  113    HB2  ASP  17           HB2      ASP  17  10.723  11.598   1.516
  114    HB3  ASP  17           HB3      ASP  17  10.853  12.935   2.654
  115    H    GLU  18           HN       GLU  18  10.115  11.023   5.868
  116    HA   GLU  18           HA       GLU  18   7.591   9.902   5.393
  117    HB2  GLU  18           HB2      GLU  18   7.016  10.600   7.625
  118    HB3  GLU  18           HB3      GLU  18   8.682  10.042   7.618
  119    HG2  GLU  18           HG2      GLU  18   7.904  12.931   7.425
  120    HG3  GLU  18           HG3      GLU  18   8.236  12.113   8.950
  121    H    ALA  19           HN       ALA  19   8.776  12.991   4.668
  122    HA   ALA  19           HA       ALA  19   6.402  14.516   4.945
  123    HB1  ALA  19           HB1      ALA  19   7.527  16.176   3.566
  124    HB2  ALA  19           HB2      ALA  19   8.622  15.538   4.792
  125    HB3  ALA  19           HB3      ALA  19   8.755  14.991   3.120
  126    H    LYS  20           HN       LYS  20   7.606  12.382   2.462
  127    HA   LYS  20           HA       LYS  20   5.832  13.288   0.419
  128    HB2  LYS  20           HB2      LYS  20   7.146  10.584   0.500
  129    HB3  LYS  20           HB3      LYS  20   6.704  11.540  -0.907
  130    HG2  LYS  20           HG2      LYS  20   8.934  12.102   1.034
  131    HG3  LYS  20           HG3      LYS  20   9.086  11.576  -0.643
  132    HD2  LYS  20           HD2      LYS  20   7.953  13.687  -1.333
  133    HD3  LYS  20           HD3      LYS  20   8.010  14.213   0.349
  134    HE2  LYS  20           HE2      LYS  20  10.456  14.032   0.313
  135    HE3  LYS  20           HE3      LYS  20  10.387  13.533  -1.377
  136    HZ1  LYS  20           HZ1      LYS  20   9.470  16.149  -0.308
  137    HZ2  LYS  20           HZ2      LYS  20   9.403  15.671  -1.929
  138    HZ3  LYS  20           HZ3      LYS  20  10.901  15.881  -1.172
  139    H    ARG  21           HN       ARG  21   3.695  13.075   0.660
  140    HA   ARG  21           HA       ARG  21   2.665  10.512   1.676
  141    HB2  ARG  21           HB2      ARG  21   1.892  13.318   2.247
  142    HB3  ARG  21           HB3      ARG  21   0.587  12.151   2.105
  143    HG2  ARG  21           HG2      ARG  21   2.955  11.813   3.922
  144    HG3  ARG  21           HG3      ARG  21   1.407  12.498   4.426
  145    HD2  ARG  21           HD2      ARG  21   0.280  10.427   3.832
  146    HD3  ARG  21           HD3      ARG  21   1.804   9.746   3.258
  147    HE   ARG  21           HE       ARG  21   2.580   9.927   5.610
  148   HH11  ARG  21          HH11      ARG  21  -1.263   9.191   6.467
  149   HH12  ARG  21          HH12      ARG  21  -0.836   9.825   4.912
  150   HH21  ARG  21          HH21      ARG  21   0.361   8.775   8.025
  151   HH22  ARG  21          HH22      ARG  21   2.022   9.092   7.655
  152    H    HIS  22           HN       HIS  22   1.216   9.434   0.498
  153    HA   HIS  22           HA       HIS  22  -0.027  10.761  -1.805
  154    HB2  HIS  22           HB2      HIS  22   0.899   8.007  -2.321
  155    HB3  HIS  22           HB3      HIS  22   0.931   9.422  -3.371
  156    HD2  HIS  22           HD2      HIS  22   3.392   7.206  -1.800
  157    HE1  HIS  22           HE1      HIS  22   5.181  11.029  -1.619
  158    H    LEU  23           HN       LEU  23  -2.141  10.505  -1.599
  159    HA   LEU  23           HA       LEU  23  -3.193   8.190  -0.155
  160    HB2  LEU  23           HB2      LEU  23  -3.858  10.569   0.395
  161    HB3  LEU  23           HB3      LEU  23  -4.694  10.607  -1.141
  162    HG   LEU  23           HG       LEU  23  -5.336   8.642   1.056
  163   HD11  LEU  23          HD11      LEU  23  -6.706  11.237   0.382
  164   HD12  LEU  23          HD12      LEU  23  -7.237  10.058   1.582
  165   HD13  LEU  23          HD13      LEU  23  -5.722  10.934   1.815
  166   HD21  LEU  23          HD21      LEU  23  -7.512   8.532  -0.219
  167   HD22  LEU  23          HD22      LEU  23  -6.698   9.402  -1.518
  168   HD23  LEU  23          HD23      LEU  23  -6.118   7.811  -1.022
  169    H    LEU  24           HN       LEU  24  -4.067   6.515  -1.199
  170    HA   LEU  24           HA       LEU  24  -5.092   6.949  -3.924
  171    HB2  LEU  24           HB2      LEU  24  -3.671   4.453  -3.056
  172    HB3  LEU  24           HB3      LEU  24  -4.145   4.906  -4.675
  173    HG   LEU  24           HG       LEU  24  -2.024   6.299  -3.040
  174   HD11  LEU  24          HD11      LEU  24  -0.448   5.256  -4.577
  175   HD12  LEU  24          HD12      LEU  24  -1.367   4.036  -3.697
  176   HD13  LEU  24          HD13      LEU  24  -1.769   4.404  -5.374
  177   HD21  LEU  24          HD21      LEU  24  -3.221   7.725  -4.676
  178   HD22  LEU  24          HD22      LEU  24  -1.516   7.497  -5.067
  179   HD23  LEU  24          HD23      LEU  24  -2.753   6.601  -5.949
  180    H    GLN  25           HN       GLN  25  -7.011   6.124  -4.353
  181    HA   GLN  25           HA       GLN  25  -8.438   4.725  -2.241
  182    HB2  GLN  25           HB2      GLN  25 -10.461   5.262  -3.485
  183    HB3  GLN  25           HB3      GLN  25  -9.490   6.686  -3.193
  184    HG2  GLN  25           HG2      GLN  25 -10.052   5.280  -5.753
  185    HG3  GLN  25           HG3      GLN  25 -10.191   6.988  -5.366
  186   HE21  GLN  25          HE21      GLN  25  -8.092   4.448  -6.403
  187   HE22  GLN  25          HE22      GLN  25  -6.724   5.424  -6.775
  188    H    VAL  26           HN       VAL  26  -7.968   2.618  -2.299
  189    HA   VAL  26           HA       VAL  26  -8.798   1.162  -4.704
  190    HB   VAL  26           HB       VAL  26  -6.257   0.423  -3.238
  191   HG11  VAL  26          HG11      VAL  26  -5.913  -1.060  -5.153
  192   HG12  VAL  26          HG12      VAL  26  -7.401  -1.445  -4.288
  193   HG13  VAL  26          HG13      VAL  26  -7.471  -0.563  -5.814
  194   HG21  VAL  26          HG21      VAL  26  -5.070   1.238  -5.226
  195   HG22  VAL  26          HG22      VAL  26  -6.592   1.855  -5.870
  196   HG23  VAL  26          HG23      VAL  26  -5.922   2.535  -4.387
  197    H    ARG  27           HN       ARG  27  -9.654  -0.885  -4.352
  198    HA   ARG  27           HA       ARG  27 -11.083  -1.246  -1.995
  199    HB2  ARG  27           HB2      ARG  27 -10.308  -3.514  -3.818
  200    HB3  ARG  27           HB3      ARG  27 -11.757  -3.357  -2.839
  201    HG2  ARG  27           HG2      ARG  27 -12.539  -1.563  -4.267
  202    HG3  ARG  27           HG3      ARG  27 -11.053  -1.674  -5.210
  203    HD2  ARG  27           HD2      ARG  27 -12.760  -2.861  -6.383
  204    HD3  ARG  27           HD3      ARG  27 -11.628  -4.036  -5.731
  205    HE   ARG  27           HE       ARG  27 -14.028  -3.462  -4.177
  206   HH11  ARG  27          HH11      ARG  27 -13.304  -6.986  -5.938
  207   HH12  ARG  27          HH12      ARG  27 -12.315  -5.617  -6.320
  208   HH21  ARG  27          HH21      ARG  27 -15.020  -6.784  -4.435
  209   HH22  ARG  27          HH22      ARG  27 -15.333  -5.261  -3.673
  210    H    ARG  28           HN       ARG  28 -10.929  -2.722  -0.341
  211    HA   ARG  28           HA       ARG  28  -8.322  -3.135   0.688
  212    HB2  ARG  28           HB2      ARG  28  -9.672  -4.582   2.401
  213    HB3  ARG  28           HB3      ARG  28  -9.797  -2.834   2.426
  214    HG2  ARG  28           HG2      ARG  28 -11.931  -2.832   1.686
  215    HG3  ARG  28           HG3      ARG  28 -11.739  -4.328   0.764
  216    HD2  ARG  28           HD2      ARG  28 -11.480  -5.452   3.040
  217    HD3  ARG  28           HD3      ARG  28 -12.146  -3.966   3.713
  218    HE   ARG  28           HE       ARG  28 -13.898  -4.722   1.735
  219   HH11  ARG  28          HH11      ARG  28 -14.083  -7.066   4.975
  220   HH12  ARG  28          HH12      ARG  28 -12.649  -6.148   4.658
  221   HH21  ARG  28          HH21      ARG  28 -15.866  -6.945   3.547
  222   HH22  ARG  28          HH22      ARG  28 -15.789  -5.932   2.144
  223    H    SER  29           HN       SER  29 -10.748  -5.150  -0.827
  224    HA   SER  29           HA       SER  29  -9.416  -7.626  -0.426
  225    HB2  SER  29           HB2      SER  29 -11.384  -6.801  -2.572
  226    HB3  SER  29           HB3      SER  29 -10.947  -8.460  -2.172
  227    HG   SER  29           HG       SER  29 -12.322  -8.395  -0.591
  228    H    SER  30           HN       SER  30  -8.576  -4.948  -2.208
  229    HA   SER  30           HA       SER  30  -7.536  -6.131  -4.565
  230    HB2  SER  30           HB2      SER  30  -6.595  -3.650  -3.103
  231    HB3  SER  30           HB3      SER  30  -6.186  -4.082  -4.761
  232    HG   SER  30           HG       SER  30  -8.242  -3.701  -5.386
  233    H    SER  31           HN       SER  31  -5.517  -7.013  -4.991
  234    HA   SER  31           HA       SER  31  -4.131  -7.991  -2.651
  235    HB2  SER  31           HB2      SER  31  -2.776  -9.274  -4.229
  236    HB3  SER  31           HB3      SER  31  -4.486  -9.465  -4.599
  237    HG   SER  31           HG       SER  31  -2.581  -7.860  -5.944
  238    H    VAL  32           HN       VAL  32  -2.029  -7.504  -2.076
  239    HA   VAL  32           HA       VAL  32  -1.137  -4.950  -2.188
  240    HB   VAL  32           HB       VAL  32   0.945  -5.700  -1.388
  241   HG11  VAL  32          HG11      VAL  32   0.394  -7.230   0.339
  242   HG12  VAL  32          HG12      VAL  32  -1.049  -6.274   0.008
  243   HG13  VAL  32          HG13      VAL  32  -0.921  -7.919  -0.613
  244   HG21  VAL  32          HG21      VAL  32   1.593  -7.161  -3.202
  245   HG22  VAL  32          HG22      VAL  32   1.778  -8.001  -1.662
  246   HG23  VAL  32          HG23      VAL  32   0.395  -8.353  -2.698
  247    H    ALA  33           HN       ALA  33  -0.767  -7.442  -4.601
  248    HA   ALA  33           HA       ALA  33   1.289  -6.275  -6.129
  249    HB1  ALA  33           HB1      ALA  33   0.656  -7.816  -7.865
  250    HB2  ALA  33           HB2      ALA  33   0.574  -8.629  -6.303
  251    HB3  ALA  33           HB3      ALA  33  -0.907  -8.094  -7.096
  252    H    GLN  34           HN       GLN  34  -2.263  -5.903  -6.327
  253    HA   GLN  34           HA       GLN  34  -2.060  -4.298  -8.690
  254    HB2  GLN  34           HB2      GLN  34  -4.515  -3.891  -8.317
  255    HB3  GLN  34           HB3      GLN  34  -4.034  -5.565  -8.549
  256    HG2  GLN  34           HG2      GLN  34  -3.985  -5.772  -6.082
  257    HG3  GLN  34           HG3      GLN  34  -4.790  -4.207  -5.999
  258   HE21  GLN  34          HE21      GLN  34  -6.904  -4.015  -6.813
  259   HE22  GLN  34          HE22      GLN  34  -7.919  -5.395  -7.036
  260    H    VAL  35           HN       VAL  35  -2.722  -3.644  -5.271
  261    HA   VAL  35           HA       VAL  35  -3.188  -0.911  -5.532
  262    HB   VAL  35           HB       VAL  35  -1.905  -1.472  -3.026
  263   HG11  VAL  35          HG11      VAL  35  -3.919  -0.681  -2.125
  264   HG12  VAL  35          HG12      VAL  35  -3.796   0.136  -3.686
  265   HG13  VAL  35          HG13      VAL  35  -4.849  -1.269  -3.504
  266   HG21  VAL  35          HG21      VAL  35  -2.346  -3.815  -3.379
  267   HG22  VAL  35          HG22      VAL  35  -3.452  -3.171  -2.168
  268   HG23  VAL  35          HG23      VAL  35  -4.024  -3.453  -3.809
  269    H    LYS  36           HN       LYS  36  -0.223  -2.771  -4.962
  270    HA   LYS  36           HA       LYS  36   1.509  -0.549  -4.796
  271    HB2  LYS  36           HB2      LYS  36   1.834  -3.489  -5.162
  272    HB3  LYS  36           HB3      LYS  36   3.209  -2.434  -5.369
  273    HG2  LYS  36           HG2      LYS  36   2.805  -3.502  -3.081
  274    HG3  LYS  36           HG3      LYS  36   3.198  -1.799  -3.165
  275    HD2  LYS  36           HD2      LYS  36   1.166  -1.137  -2.454
  276    HD3  LYS  36           HD3      LYS  36   0.346  -2.484  -3.238
  277    HE2  LYS  36           HE2      LYS  36   1.093  -3.989  -1.487
  278    HE3  LYS  36           HE3      LYS  36   2.007  -2.688  -0.729
  279    HZ1  LYS  36           HZ1      LYS  36  -0.944  -2.786  -1.041
  280    HZ2  LYS  36           HZ2      LYS  36  -0.078  -1.513  -0.341
  281    HZ3  LYS  36           HZ3      LYS  36  -0.088  -3.035   0.396
  282    H    ALA  37           HN       ALA  37   0.194  -2.423  -7.444
  283    HA   ALA  37           HA       ALA  37   2.012  -1.775  -9.459
  284    HB1  ALA  37           HB1      ALA  37   0.136  -3.349  -9.780
  285    HB2  ALA  37           HB2      ALA  37  -0.994  -1.996  -9.724
  286    HB3  ALA  37           HB3      ALA  37   0.177  -2.113 -11.037
  287    H    MET  38           HN       MET  38  -0.771  -0.059  -8.161
  288    HA   MET  38           HA       MET  38  -0.558   2.238  -9.787
  289    HB2  MET  38           HB2      MET  38  -1.633   2.162  -6.964
  290    HB3  MET  38           HB3      MET  38  -2.077   3.275  -8.250
  291    HG2  MET  38           HG2      MET  38  -2.936   1.234  -9.499
  292    HG3  MET  38           HG3      MET  38  -2.777   0.373  -7.971
  293    HE1  MET  38           HE1      MET  38  -5.354  -0.268  -7.971
  294    HE2  MET  38           HE2      MET  38  -6.643   0.905  -8.242
  295    HE3  MET  38           HE3      MET  38  -5.506   0.529  -9.538
  296    H    ILE  39           HN       ILE  39   0.805   1.283  -6.667
  297    HA   ILE  39           HA       ILE  39   2.014   3.679  -5.929
  298    HB   ILE  39           HB       ILE  39   3.026   0.861  -5.502
  299   HG12  ILE  39          HG12      ILE  39   0.834   1.188  -4.524
  300   HG13  ILE  39          HG13      ILE  39   2.046   1.136  -3.247
  301   HG21  ILE  39          HG21      ILE  39   4.245   1.857  -3.574
  302   HG22  ILE  39          HG22      ILE  39   4.865   2.324  -5.159
  303   HG23  ILE  39          HG23      ILE  39   3.871   3.451  -4.233
  304   HD11  ILE  39          HD11      ILE  39   0.847   3.649  -4.377
  305   HD12  ILE  39          HD12      ILE  39   0.344   2.861  -2.882
  306   HD13  ILE  39          HD13      ILE  39   1.969   3.530  -3.023
  307    H    GLU  40           HN       GLU  40   2.995   1.258  -8.273
  308    HA   GLU  40           HA       GLU  40   5.614   2.284  -8.725
  309    HB2  GLU  40           HB2      GLU  40   4.893  -0.040  -9.289
  310    HB3  GLU  40           HB3      GLU  40   3.883   0.621 -10.567
  311    HG2  GLU  40           HG2      GLU  40   5.935   1.590 -11.590
  312    HG3  GLU  40           HG3      GLU  40   6.877   0.729 -10.374
  313    H    THR  41           HN       THR  41   2.427   2.878 -10.036
  314    HA   THR  41           HA       THR  41   3.225   4.401 -12.276
  315    HB   THR  41           HB       THR  41   0.693   5.254 -11.097
  316    HG1  THR  41           HG1      THR  41   0.346   2.698 -11.943
  317   HG21  THR  41          HG21      THR  41  -0.151   4.598 -13.287
  318   HG22  THR  41          HG22      THR  41   1.378   3.800 -13.651
  319   HG23  THR  41          HG23      THR  41   1.324   5.551 -13.457
  320    H    LYS  42           HN       LYS  42   3.026   5.145  -8.894
  321    HA   LYS  42           HA       LYS  42   3.344   8.005  -9.464
  322    HB2  LYS  42           HB2      LYS  42   2.460   6.498  -7.027
  323    HB3  LYS  42           HB3      LYS  42   2.937   8.190  -6.934
  324    HG2  LYS  42           HG2      LYS  42   0.728   8.499  -7.276
  325    HG3  LYS  42           HG3      LYS  42   1.209   8.320  -8.966
  326    HD2  LYS  42           HD2      LYS  42   0.810   5.840  -8.642
  327    HD3  LYS  42           HD3      LYS  42  -0.030   6.278  -7.155
  328    HE2  LYS  42           HE2      LYS  42  -1.574   7.673  -8.410
  329    HE3  LYS  42           HE3      LYS  42  -0.713   7.312  -9.906
  330    HZ1  LYS  42           HZ1      LYS  42  -2.706   5.966  -9.676
  331    HZ2  LYS  42           HZ2      LYS  42  -2.138   5.329  -8.216
  332    HZ3  LYS  42           HZ3      LYS  42  -1.323   4.990  -9.658
  333    H    THR  43           HN       THR  43   5.115   5.266  -8.317
  334    HA   THR  43           HA       THR  43   7.300   7.067  -7.479
  335    HB   THR  43           HB       THR  43   8.126   5.322  -5.984
  336    HG1  THR  43           HG1      THR  43   6.063   3.691  -5.783
  337   HG21  THR  43          HG21      THR  43   6.162   5.277  -4.371
  338   HG22  THR  43          HG22      THR  43   5.256   6.151  -5.606
  339   HG23  THR  43          HG23      THR  43   6.705   6.869  -4.900
  340    H    GLY  44           HN       GLY  44   6.492   3.995  -9.031
  341    HA2  GLY  44           HA1      GLY  44   7.492   3.258 -11.043
  342    HA3  GLY  44           HA2      GLY  44   8.881   4.279 -10.704
  343    H    ILE  45           HN       ILE  45   7.655   2.341  -8.137
  344    HA   ILE  45           HA       ILE  45  10.041   0.647  -8.300
  345    HB   ILE  45           HB       ILE  45   8.119   0.805  -5.987
  346   HG12  ILE  45          HG12      ILE  45   8.963   3.071  -6.570
  347   HG13  ILE  45          HG13      ILE  45   9.498   2.520  -4.993
  348   HG21  ILE  45          HG21      ILE  45   9.649  -1.080  -5.979
  349   HG22  ILE  45          HG22      ILE  45  11.017   0.011  -6.189
  350   HG23  ILE  45          HG23      ILE  45  10.070   0.064  -4.703
  351   HD11  ILE  45          HD11      ILE  45  11.150   2.451  -7.508
  352   HD12  ILE  45          HD12      ILE  45  11.262   3.672  -6.240
  353   HD13  ILE  45          HD13      ILE  45  11.684   1.996  -5.889
  354    H    ILE  46           HN       ILE  46   9.930  -1.529  -8.563
  355    HA   ILE  46           HA       ILE  46   7.413  -2.649  -9.413
  356    HB   ILE  46           HB       ILE  46   8.945  -4.801  -9.495
  357   HG12  ILE  46          HG12      ILE  46  10.964  -2.548  -9.587
  358   HG13  ILE  46          HG13      ILE  46  10.819  -3.723  -8.285
  359   HG21  ILE  46          HG21      ILE  46   9.205  -2.491 -11.413
  360   HG22  ILE  46          HG22      ILE  46   9.596  -4.174 -11.767
  361   HG23  ILE  46          HG23      ILE  46   7.931  -3.712 -11.412
  362   HD11  ILE  46          HD11      ILE  46  11.523  -4.348 -11.143
  363   HD12  ILE  46          HD12      ILE  46  12.650  -4.265  -9.789
  364   HD13  ILE  46          HD13      ILE  46  11.404  -5.513  -9.823
  365    HA   PRO  47           HA       PRO  47   5.926  -4.470  -5.681
  366    HB2  PRO  47           HB2      PRO  47   5.560  -6.923  -7.340
  367    HB3  PRO  47           HB3      PRO  47   4.411  -6.086  -6.301
  368    HG2  PRO  47           HG2      PRO  47   4.233  -5.830  -8.919
  369    HG3  PRO  47           HG3      PRO  47   3.997  -4.419  -7.868
  370    HD2  PRO  47           HD2      PRO  47   6.369  -5.183  -9.510
  371    HD3  PRO  47           HD3      PRO  47   5.670  -3.578  -9.218
  372    H    GLU  48           HN       GLU  48   7.759  -6.791  -7.658
  373    HA   GLU  48           HA       GLU  48   8.544  -8.552  -5.694
  374    HB2  GLU  48           HB2      GLU  48  10.416  -9.155  -7.160
  375    HB3  GLU  48           HB3      GLU  48   8.914  -8.974  -8.056
  376    HG2  GLU  48           HG2      GLU  48   9.619  -6.755  -8.789
  377    HG3  GLU  48           HG3      GLU  48  11.123  -6.936  -7.888
  378    H    THR  49           HN       THR  49   9.535  -5.308  -6.012
  379    HA   THR  49           HA       THR  49  11.740  -5.788  -4.115
  380    HB   THR  49           HB       THR  49  12.264  -4.861  -6.540
  381    HG1  THR  49           HG1      THR  49  13.561  -3.379  -4.575
  382   HG21  THR  49          HG21      THR  49  11.645  -2.330  -5.017
  383   HG22  THR  49          HG22      THR  49  10.698  -2.960  -6.365
  384   HG23  THR  49          HG23      THR  49  12.362  -2.441  -6.625
  385    H    GLN  50           HN       GLN  50   8.787  -4.270  -4.737
  386    HA   GLN  50           HA       GLN  50   8.996  -2.001  -3.063
  387    HB2  GLN  50           HB2      GLN  50   7.042  -3.314  -4.728
  388    HB3  GLN  50           HB3      GLN  50   6.320  -2.800  -3.219
  389    HG2  GLN  50           HG2      GLN  50   7.352  -0.526  -3.682
  390    HG3  GLN  50           HG3      GLN  50   7.662  -1.137  -5.308
  391   HE21  GLN  50          HE21      GLN  50   5.951  -1.501  -6.697
  392   HE22  GLN  50          HE22      GLN  50   4.363  -0.891  -6.397
  393    H    ILE  51           HN       ILE  51   9.407  -2.227  -0.930
  394    HA   ILE  51           HA       ILE  51   8.080  -4.381   0.540
  395    HB   ILE  51           HB       ILE  51  10.148  -2.473   1.621
  396   HG12  ILE  51          HG12      ILE  51  10.452  -5.030   0.077
  397   HG13  ILE  51          HG13      ILE  51  11.318  -3.514  -0.120
  398   HG21  ILE  51          HG21      ILE  51   8.726  -3.699   3.238
  399   HG22  ILE  51          HG22      ILE  51   9.310  -5.215   2.553
  400   HG23  ILE  51          HG23      ILE  51  10.435  -4.119   3.357
  401   HD11  ILE  51          HD11      ILE  51  12.772  -5.210   0.797
  402   HD12  ILE  51          HD12      ILE  51  12.506  -3.933   1.981
  403   HD13  ILE  51          HD13      ILE  51  11.660  -5.474   2.142
  404    H    VAL  52           HN       VAL  52   6.020  -3.696   0.942
  405    HA   VAL  52           HA       VAL  52   5.656  -1.076   2.173
  406    HB   VAL  52           HB       VAL  52   3.756  -3.003   0.840
  407   HG11  VAL  52          HG11      VAL  52   1.931  -1.514   1.417
  408   HG12  VAL  52          HG12      VAL  52   2.695  -2.169   2.863
  409   HG13  VAL  52          HG13      VAL  52   3.033  -0.514   2.364
  410   HG21  VAL  52          HG21      VAL  52   5.100  -1.410  -0.537
  411   HG22  VAL  52          HG22      VAL  52   3.355  -1.204  -0.687
  412   HG23  VAL  52          HG23      VAL  52   4.291  -0.086   0.304
  413    H    THR  53           HN       THR  53   4.247  -0.986   4.102
  414    HA   THR  53           HA       THR  53   4.015  -3.471   5.597
  415    HB   THR  53           HB       THR  53   5.095  -1.618   7.451
  416    HG1  THR  53           HG1      THR  53   7.196  -2.045   5.755
  417   HG21  THR  53          HG21      THR  53   5.998  -4.230   6.281
  418   HG22  THR  53          HG22      THR  53   5.353  -3.895   7.891
  419   HG23  THR  53          HG23      THR  53   6.980  -3.367   7.464
  420    H    LEU  54           HN       LEU  54   2.132  -3.547   6.432
  421    HA   LEU  54           HA       LEU  54   0.563  -1.176   6.919
  422    HB2  LEU  54           HB2      LEU  54   0.109  -4.021   6.590
  423    HB3  LEU  54           HB3      LEU  54  -0.747  -3.405   7.986
  424    HG   LEU  54           HG       LEU  54  -2.158  -3.391   6.033
  425   HD11  LEU  54          HD11      LEU  54  -1.346  -0.631   6.924
  426   HD12  LEU  54          HD12      LEU  54  -2.836  -1.017   6.061
  427   HD13  LEU  54          HD13      LEU  54  -2.559  -1.667   7.677
  428   HD21  LEU  54          HD21      LEU  54   0.012  -1.711   4.847
  429   HD22  LEU  54          HD22      LEU  54  -0.656  -3.228   4.245
  430   HD23  LEU  54          HD23      LEU  54  -1.627  -1.756   4.198
  431    H    ASN  55           HN       ASN  55  -0.859  -2.052   9.203
  432    HA   ASN  55           HA       ASN  55   0.696  -1.004  11.258
  433    HB2  ASN  55           HB2      ASN  55  -1.090  -2.389  12.682
  434    HB3  ASN  55           HB3      ASN  55  -1.522  -0.926  11.804
  435   HD21  ASN  55          HD21      ASN  55  -2.548  -1.134   9.758
  436   HD22  ASN  55          HD22      ASN  55  -3.456  -2.551   9.369
  437    H    GLY  56           HN       GLY  56   2.674  -1.923  11.536
  438    HA2  GLY  56           HA1      GLY  56   4.241  -3.389  12.323
  439    HA3  GLY  56           HA2      GLY  56   2.936  -4.112  13.245
  440    H    LYS  57           HN       LYS  57   2.215  -4.257   9.945
  441    HA   LYS  57           HA       LYS  57   3.300  -7.004   9.827
  442    HB2  LYS  57           HB2      LYS  57   0.658  -5.907   9.056
  443    HB3  LYS  57           HB3      LYS  57   1.320  -7.196   8.072
  444    HG2  LYS  57           HG2      LYS  57  -0.219  -7.896   9.935
  445    HG3  LYS  57           HG3      LYS  57   1.343  -8.707   9.873
  446    HD2  LYS  57           HD2      LYS  57   2.034  -7.800  11.814
  447    HD3  LYS  57           HD3      LYS  57   1.225  -6.264  11.513
  448    HE2  LYS  57           HE2      LYS  57   0.229  -7.408  13.412
  449    HE3  LYS  57           HE3      LYS  57  -0.910  -7.273  12.075
  450    HZ1  LYS  57           HZ1      LYS  57  -0.393  -9.572  11.474
  451    HZ2  LYS  57           HZ2      LYS  57  -1.007  -9.466  13.046
  452    HZ3  LYS  57           HZ3      LYS  57   0.651  -9.693  12.801
  453    H    ARG  58           HN       ARG  58   3.948  -7.819   7.791
  454    HA   ARG  58           HA       ARG  58   4.898  -5.742   5.962
  455    HB2  ARG  58           HB2      ARG  58   5.697  -8.635   6.281
  456    HB3  ARG  58           HB3      ARG  58   6.359  -7.561   5.060
  457    HG2  ARG  58           HG2      ARG  58   6.747  -6.143   7.347
  458    HG3  ARG  58           HG3      ARG  58   6.970  -7.800   7.900
  459    HD2  ARG  58           HD2      ARG  58   8.340  -6.621   5.495
  460    HD3  ARG  58           HD3      ARG  58   9.059  -6.680   7.104
  461    HE   ARG  58           HE       ARG  58   8.172  -9.178   5.862
  462   HH11  ARG  58          HH11      ARG  58  11.967  -8.353   6.842
  463   HH12  ARG  58          HH12      ARG  58  10.766  -7.107   6.923
  464   HH21  ARG  58          HH21      ARG  58  11.386 -10.467   6.174
  465   HH22  ARG  58          HH22      ARG  58   9.745 -10.824   5.750
  466    H    LEU  59           HN       LEU  59   4.459  -5.793   3.765
  467    HA   LEU  59           HA       LEU  59   2.018  -7.194   3.064
  468    HB2  LEU  59           HB2      LEU  59   3.605  -4.982   1.817
  469    HB3  LEU  59           HB3      LEU  59   2.385  -5.819   0.888
  470    HG   LEU  59           HG       LEU  59   1.683  -3.674   1.976
  471   HD11  LEU  59          HD11      LEU  59  -0.064  -5.016   1.214
  472   HD12  LEU  59          HD12      LEU  59   0.230  -6.248   2.442
  473   HD13  LEU  59          HD13      LEU  59  -0.470  -4.696   2.900
  474   HD21  LEU  59          HD21      LEU  59   1.651  -5.324   4.483
  475   HD22  LEU  59          HD22      LEU  59   2.881  -4.114   4.114
  476   HD23  LEU  59          HD23      LEU  59   1.198  -3.630   4.307
  477    H    GLU  60           HN       GLU  60   2.004  -9.081   2.131
  478    HA   GLU  60           HA       GLU  60   4.379  -9.986   0.660
  479    HB2  GLU  60           HB2      GLU  60   2.125 -11.557   1.918
  480    HB3  GLU  60           HB3      GLU  60   3.473 -12.262   1.041
  481    HG2  GLU  60           HG2      GLU  60   4.998 -11.201   2.721
  482    HG3  GLU  60           HG3      GLU  60   3.560 -10.764   3.642
  483    H    ASP  61           HN       ASP  61   4.233 -10.785  -1.402
  484    HA   ASP  61           HA       ASP  61   2.216  -9.792  -3.081
  485    HB2  ASP  61           HB2      ASP  61   4.314 -11.919  -3.512
  486    HB3  ASP  61           HB3      ASP  61   3.241 -11.359  -4.792
  487    H    GLY  62           HN       GLY  62   0.419 -10.699  -3.995
  488    HA2  GLY  62           HA1      GLY  62  -1.097 -12.419  -4.514
  489    HA3  GLY  62           HA2      GLY  62  -0.214 -13.492  -3.438
  490    H    LYS  63           HN       LYS  63  -0.223 -11.502  -1.258
  491    HA   LYS  63           HA       LYS  63  -2.727 -12.266  -0.089
  492    HB2  LYS  63           HB2      LYS  63  -0.242 -11.555   0.904
  493    HB3  LYS  63           HB3      LYS  63  -1.251 -10.179   1.325
  494    HG2  LYS  63           HG2      LYS  63  -1.231 -11.757   3.139
  495    HG3  LYS  63           HG3      LYS  63  -2.841 -11.716   2.415
  496    HD2  LYS  63           HD2      LYS  63  -2.589 -13.788   1.419
  497    HD3  LYS  63           HD3      LYS  63  -0.830 -13.704   1.476
  498    HE2  LYS  63           HE2      LYS  63  -1.564 -15.322   3.087
  499    HE3  LYS  63           HE3      LYS  63  -0.961 -13.908   3.952
  500    HZ1  LYS  63           HZ1      LYS  63  -3.277 -13.164   4.189
  501    HZ2  LYS  63           HZ2      LYS  63  -3.001 -14.653   4.941
  502    HZ3  LYS  63           HZ3      LYS  63  -3.808 -14.595   3.456
  503    H    MET  64           HN       MET  64  -4.322 -10.812   0.758
  504    HA   MET  64           HA       MET  64  -4.634  -8.435  -0.914
  505    HB2  MET  64           HB2      MET  64  -6.862  -8.952   0.821
  506    HB3  MET  64           HB3      MET  64  -6.808  -8.923  -0.927
  507    HG2  MET  64           HG2      MET  64  -6.025 -11.306   0.726
  508    HG3  MET  64           HG3      MET  64  -7.640 -11.050   0.073
  509    HE1  MET  64           HE1      MET  64  -7.088  -9.783  -2.778
  510    HE2  MET  64           HE2      MET  64  -7.105 -11.254  -3.751
  511    HE3  MET  64           HE3      MET  64  -8.252 -11.059  -2.426
  512    H    MET  65           HN       MET  65  -5.178  -6.419   0.011
  513    HA   MET  65           HA       MET  65  -3.805  -5.838   2.418
  514    HB2  MET  65           HB2      MET  65  -3.982  -3.714   1.710
  515    HB3  MET  65           HB3      MET  65  -4.771  -4.364   0.285
  516    HG2  MET  65           HG2      MET  65  -6.849  -3.750   0.970
  517    HG3  MET  65           HG3      MET  65  -6.418  -3.731   2.673
  518    HE1  MET  65           HE1      MET  65  -8.034  -1.316   0.827
  519    HE2  MET  65           HE2      MET  65  -7.967  -1.507   2.579
  520    HE3  MET  65           HE3      MET  65  -7.451   0.008   1.835
  521    H    ALA  66           HN       ALA  66  -7.008  -6.766   1.631
  522    HA   ALA  66           HA       ALA  66  -8.357  -5.901   3.958
  523    HB1  ALA  66           HB1      ALA  66 -10.048  -7.612   3.297
  524    HB2  ALA  66           HB2      ALA  66  -9.606  -6.510   1.992
  525    HB3  ALA  66           HB3      ALA  66  -8.947  -8.146   2.025
  526    H    ASP  67           HN       ASP  67  -6.349  -8.636   3.190
  527    HA   ASP  67           HA       ASP  67  -7.079 -10.313   5.343
  528    HB2  ASP  67           HB2      ASP  67  -5.821 -11.209   3.481
  529    HB3  ASP  67           HB3      ASP  67  -4.491 -10.096   3.791
  530    H    TYR  68           HN       TYR  68  -5.189  -7.443   5.137
  531    HA   TYR  68           HA       TYR  68  -3.817  -7.918   7.651
  532    HB2  TYR  68           HB2      TYR  68  -3.837  -5.530   5.792
  533    HB3  TYR  68           HB3      TYR  68  -2.817  -5.684   7.221
  534    HD1  TYR  68           HD1      TYR  68  -3.499  -7.091   3.872
  535    HD2  TYR  68           HD2      TYR  68  -0.817  -6.971   7.170
  536    HE1  TYR  68           HE1      TYR  68  -1.821  -8.289   2.536
  537    HE2  TYR  68           HE2      TYR  68   0.873  -8.167   5.846
  538    HH   TYR  68           HH       TYR  68   0.918  -9.708   3.882
  539    H    GLY  69           HN       GLY  69  -6.850  -7.428   7.127
  540    HA2  GLY  69           HA1      GLY  69  -8.599  -6.369   8.175
  541    HA3  GLY  69           HA2      GLY  69  -7.576  -6.488   9.600
  542    H    ILE  70           HN       ILE  70  -6.903  -4.589   6.697
  543    HA   ILE  70           HA       ILE  70  -6.333  -2.281   8.244
  544    HB   ILE  70           HB       ILE  70  -5.821  -1.182   6.221
  545   HG12  ILE  70          HG12      ILE  70  -7.588  -1.427   4.728
  546   HG13  ILE  70          HG13      ILE  70  -6.338  -2.422   3.999
  547   HG21  ILE  70          HG21      ILE  70  -5.179  -4.102   5.889
  548   HG22  ILE  70          HG22      ILE  70  -4.355  -2.767   5.082
  549   HG23  ILE  70          HG23      ILE  70  -4.266  -2.927   6.837
  550   HD11  ILE  70          HD11      ILE  70  -8.538  -3.459   3.894
  551   HD12  ILE  70          HD12      ILE  70  -7.386  -4.422   4.818
  552   HD13  ILE  70          HD13      ILE  70  -8.607  -3.465   5.657
  553    H    ARG  71           HN       ARG  71  -7.332  -0.119   7.328
  554    HA   ARG  71           HA       ARG  71 -10.258  -0.381   7.309
  555    HB2  ARG  71           HB2      ARG  71 -10.358   1.633   8.742
  556    HB3  ARG  71           HB3      ARG  71  -9.582   0.271   9.536
  557    HG2  ARG  71           HG2      ARG  71  -7.412   1.234   9.164
  558    HG3  ARG  71           HG3      ARG  71  -8.121   2.547   8.223
  559    HD2  ARG  71           HD2      ARG  71  -9.339   3.308  10.202
  560    HD3  ARG  71           HD3      ARG  71  -8.641   1.990  11.141
  561    HE   ARG  71           HE       ARG  71  -6.426   3.107  10.513
  562   HH11  ARG  71          HH11      ARG  71  -8.646   6.277  11.537
  563   HH12  ARG  71          HH12      ARG  71  -9.420   4.819  11.012
  564   HH21  ARG  71          HH21      ARG  71  -6.360   6.392  11.646
  565   HH22  ARG  71          HH22      ARG  71  -5.401   5.020  11.204
  566    H    LYS  72           HN       LYS  72 -11.323   1.708   6.610
  567    HA   LYS  72           HA       LYS  72 -10.401   2.441   4.070
  568    HB2  LYS  72           HB2      LYS  72 -12.020   4.536   4.844
  569    HB3  LYS  72           HB3      LYS  72 -12.534   3.105   4.015
  570    HG2  LYS  72           HG2      LYS  72 -12.393   3.175   6.966
  571    HG3  LYS  72           HG3      LYS  72 -13.782   3.852   6.113
  572    HD2  LYS  72           HD2      LYS  72 -14.374   1.822   5.210
  573    HD3  LYS  72           HD3      LYS  72 -12.749   1.179   5.403
  574    HE2  LYS  72           HE2      LYS  72 -14.240   0.102   6.983
  575    HE3  LYS  72           HE3      LYS  72 -13.088   1.120   7.848
  576    HZ1  LYS  72           HZ1      LYS  72 -15.292   1.416   8.738
  577    HZ2  LYS  72           HZ2      LYS  72 -15.905   1.814   7.213
  578    HZ3  LYS  72           HZ3      LYS  72 -14.803   2.845   7.975
  579    H    GLY  73           HN       GLY  73  -8.949   3.859   3.408
  580    HA2  GLY  73           HA1      GLY  73  -7.311   5.470   3.471
  581    HA3  GLY  73           HA2      GLY  73  -8.336   6.306   4.630
  582    H    ASN  74           HN       ASN  74  -6.617   3.188   4.799
  583    HA   ASN  74           HA       ASN  74  -5.693   3.815   7.455
  584    HB2  ASN  74           HB2      ASN  74  -6.364   1.495   6.463
  585    HB3  ASN  74           HB3      ASN  74  -4.704   1.450   5.898
  586   HD21  ASN  74          HD21      ASN  74  -5.826   2.949   8.861
  587   HD22  ASN  74          HD22      ASN  74  -5.036   1.858   9.938
  588    H    LEU  75           HN       LEU  75  -3.296   2.959   7.805
  589    HA   LEU  75           HA       LEU  75  -1.624   4.747   6.179
  590    HB2  LEU  75           HB2      LEU  75  -1.192   3.601   8.933
  591    HB3  LEU  75           HB3      LEU  75  -0.012   4.574   8.078
  592    HG   LEU  75           HG       LEU  75  -2.735   5.481   9.015
  593   HD11  LEU  75          HD11      LEU  75  -1.422   6.953  10.483
  594   HD12  LEU  75          HD12      LEU  75  -1.128   5.245  10.814
  595   HD13  LEU  75          HD13      LEU  75   0.058   6.184   9.906
  596   HD21  LEU  75          HD21      LEU  75  -0.579   6.993   7.540
  597   HD22  LEU  75          HD22      LEU  75  -2.168   6.559   6.910
  598   HD23  LEU  75          HD23      LEU  75  -2.031   7.706   8.243
  599    H    LEU  76           HN       LEU  76  -0.030   4.008   4.939
  600    HA   LEU  76           HA       LEU  76   0.967   1.275   5.348
  601    HB2  LEU  76           HB2      LEU  76   0.416   2.426   2.619
  602    HB3  LEU  76           HB3      LEU  76   0.884   0.782   3.010
  603    HG   LEU  76           HG       LEU  76  -1.379   0.711   4.304
  604   HD11  LEU  76          HD11      LEU  76  -3.050   2.185   3.671
  605   HD12  LEU  76          HD12      LEU  76  -1.653   3.230   3.909
  606   HD13  LEU  76          HD13      LEU  76  -2.143   2.773   2.278
  607   HD21  LEU  76          HD21      LEU  76  -0.854  -0.619   2.322
  608   HD22  LEU  76          HD22      LEU  76  -2.517  -0.034   2.280
  609   HD23  LEU  76          HD23      LEU  76  -1.283   0.746   1.290
  610    H    PHE  77           HN       PHE  77   3.110   1.256   5.511
  611    HA   PHE  77           HA       PHE  77   4.628   3.613   4.723
  612    HB2  PHE  77           HB2      PHE  77   5.385   1.130   6.276
  613    HB3  PHE  77           HB3      PHE  77   6.524   2.411   5.876
  614    HD1  PHE  77           HD1      PHE  77   6.904   4.033   7.447
  615    HD2  PHE  77           HD2      PHE  77   3.162   2.002   7.456
  616    HE1  PHE  77           HE1      PHE  77   6.246   5.260   9.475
  617    HE2  PHE  77           HE2      PHE  77   2.497   3.230   9.484
  618    HZ   PHE  77           HZ       PHE  77   4.042   4.860  10.496
  619    H    LEU  78           HN       LEU  78   5.746   3.740   2.872
  620    HA   LEU  78           HA       LEU  78   6.038   1.308   1.272
  621    HB2  LEU  78           HB2      LEU  78   4.938   3.196   0.196
  622    HB3  LEU  78           HB3      LEU  78   6.332   4.212   0.511
  623    HG   LEU  78           HG       LEU  78   7.692   2.762  -0.973
  624   HD11  LEU  78          HD11      LEU  78   5.054   1.439  -1.589
  625   HD12  LEU  78          HD12      LEU  78   6.577   1.157  -2.431
  626   HD13  LEU  78          HD13      LEU  78   6.408   0.699  -0.736
  627   HD21  LEU  78          HD21      LEU  78   6.721   3.548  -3.067
  628   HD22  LEU  78          HD22      LEU  78   5.203   3.898  -2.239
  629   HD23  LEU  78          HD23      LEU  78   6.660   4.800  -1.827
  630    H    ALA  79           HN       ALA  79   7.947   0.552   0.525
  631    HA   ALA  79           HA       ALA  79  10.418   1.999   0.965
  632    HB1  ALA  79           HB1      ALA  79   9.969  -0.675   2.292
  633    HB2  ALA  79           HB2      ALA  79  11.471   0.248   2.283
  634    HB3  ALA  79           HB3      ALA  79  10.053   0.877   3.123
  635    H    SER  80           HN       SER  80  12.318   0.582   0.156
  636    HA   SER  80           HA       SER  80  11.589  -1.438  -1.776
  637    HB2  SER  80           HB2      SER  80  12.613  -0.234  -3.686
  638    HB3  SER  80           HB3      SER  80  11.169   0.576  -3.080
  639    HG   SER  80           HG       SER  80  13.835   1.267  -2.387
  640    H    TYR  81           HN       TYR  81  13.312  -2.714  -2.430
  641    HA   TYR  81           HA       TYR  81  15.438  -3.042  -0.700
  642    HB2  TYR  81           HB2      TYR  81  14.884  -3.954  -3.459
  643    HB3  TYR  81           HB3      TYR  81  16.502  -4.200  -2.823
  644    HD1  TYR  81           HD1      TYR  81  12.951  -5.094  -2.462
  645    HD2  TYR  81           HD2      TYR  81  16.913  -5.824  -1.097
  646    HE1  TYR  81           HE1      TYR  81  12.179  -7.134  -1.327
  647    HE2  TYR  81           HE2      TYR  81  16.152  -7.864   0.044
  648    HH   TYR  81           HH       TYR  81  14.099  -8.822   0.930
  649    H    SER  82           HN       SER  82  17.316  -2.044  -0.380
  650    HA   SER  82           HA       SER  82  18.975  -0.499  -0.541
  651    HB2  SER  82           HB2      SER  82  20.281  -0.551  -2.602
  652    HB3  SER  82           HB3      SER  82  19.779  -2.182  -2.160
  653    HG   SER  82           HG       SER  82  19.354  -1.965  -4.310
  654    H    ILE  83           HN       ILE  83  18.146   1.468  -0.105
  655    HA   ILE  83           HA       ILE  83  16.367   2.960  -1.608
  656    HB   ILE  83           HB       ILE  83  18.588   4.011   0.150
  657   HG12  ILE  83          HG12      ILE  83  17.117   2.427   1.317
  658   HG13  ILE  83          HG13      ILE  83  16.884   4.066   1.915
  659   HG21  ILE  83          HG21      ILE  83  17.154   6.000   0.397
  660   HG22  ILE  83          HG22      ILE  83  17.708   5.767  -1.260
  661   HG23  ILE  83          HG23      ILE  83  16.057   5.337  -0.813
  662   HD11  ILE  83          HD11      ILE  83  15.091   2.630  -0.029
  663   HD12  ILE  83          HD12      ILE  83  14.771   2.893   1.685
  664   HD13  ILE  83          HD13      ILE  83  14.853   4.267   0.583
  665    H    GLY  84           HN       GLY  84  19.881   2.762  -1.863
  666    HA2  GLY  84           HA1      GLY  84  19.684   4.178  -4.439
  667    HA3  GLY  84           HA2      GLY  84  20.894   4.672  -3.264
  668    H    GLY  85           HN       GLY  85  22.575   4.210  -4.723
  669    HA2  GLY  85           HA1      GLY  85  23.945   1.884  -4.442
  670    HA3  GLY  85           HA2      GLY  85  22.879   1.551  -5.799