*HEADER    TRANSCRIPTION                           02-NOV-05   2C5Z
*TITLE     STRUCTURE AND CTD BINDING OF THE SET2 SRI DOMAIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: SET DOMAIN PROTEIN 2;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: SET2 RPB1 INTERACTING DOMAIN, RESIDUES 620-719;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 OTHER_DETAILS: RESIDUES 1-4 IN THE CONSTRUCT USED FOR THE
*COMPND   7  STRUCTURE DETERMINATION ARE FROM THE EXPRESSION VECTOR.
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;
*SOURCE   4 EXPRESSION_SYSTEM_VECTOR: PLASMID;
*SOURCE   5 EXPRESSION_SYSTEM_PLASMID: PET 9D;
*SOURCE   6 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
*SOURCE   7 ORGANISM_COMMON: BAKER'S YEAST
*KEYWDS    SRI DOMAIN, RNA POLYMERASE II, TRANSCRIPTION, CTD, SET2
*KEYWDS   2 HISTONE METHYLTRANSFERASE
*EXPDTA    NMR
*AUTHOR    E.VOJNIC,B.SIMON,B.D.STRAHL,M.SATTLER,P.CRAMER




 ASSI {    4}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.500     0.800     0.800 peak     4 spectrum    1 weight  0.11000E+01 volume  0.62381E-02 ppm1      1.151 ppm2      4.153 CV     1
 ASSI {   11}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      4.000     4.000     2.000 peak    11 spectrum    1 weight  0.11000E+01 volume  0.16201E-02 ppm1      3.716 ppm2      3.218 CV     1
 ASSI {   13}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.800     2.800     3.200 peak    13 spectrum    1 weight  0.11000E+01 volume  0.24019E-02 ppm1      1.375 ppm2      2.150 CV     1
 OR {   13}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 14   and name HG2 ))
 ASSI {   14}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 79   and name HB  ))
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.11000E+01 volume  0.48966E-02 ppm1      1.025 ppm2      2.363 CV     1
 ASSI {   16}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 79   and name HB  ))
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.11000E+01 volume  0.45120E-02 ppm1      1.359 ppm2      2.362 CV     1
 ASSI {   17}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 14   and name HG1 ))
      3.500     3.500     2.500 peak    17 spectrum    1 weight  0.11000E+01 volume  0.31512E-02 ppm1      1.369 ppm2      2.272 CV     1
 ASSI {   26}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 79   and name HA  ))
      2.400     0.700     0.700 peak    26 spectrum    1 weight  0.11000E+01 volume  0.64473E-02 ppm1      1.359 ppm2      3.711 CV     1
 ASSI {   27}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.800     2.800     3.200 peak    27 spectrum    1 weight  0.11000E+01 volume  0.39877E-02 ppm1      1.378 ppm2      3.922 CV     1
 ASSI {   30}
   (  segid "    " and resid 22   and name HB% )
   (( segid "    " and resid 22   and name HA  ))
      2.200     0.600     0.600 peak    30 spectrum    1 weight  0.11000E+01 volume  0.10750E-01 ppm1      1.486 ppm2      3.767 CV     1
 ASSI {   37}
   (  segid "    " and resid 22   and name HB% )
   (  segid "    " and resid 51   and name HG1%)
      3.500     3.500     2.500 peak    37 spectrum    1 weight  0.11000E+01 volume  0.10466E-02 ppm1      1.498 ppm2      1.157 CV     1
 ASSI {   38}
   (  segid "    " and resid 22   and name HB% )
   (  segid "    " and resid 51   and name HG2%)
      3.100     1.200     1.200 peak    38 spectrum    1 weight  0.11000E+01 volume  0.25391E-02 ppm1      1.492 ppm2      0.901 CV     1
 ASSI {   41}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HB% )
      2.400     0.700     0.700 peak    41 spectrum    1 weight  0.11000E+01 volume  0.63321E-02 ppm1      3.628 ppm2      1.331 CV     1
 ASSI {   44}
   (  segid "    " and resid 99   and name HB% )
   (( segid "    " and resid 99   and name HA  ))
      2.400     0.700     0.700 peak    44 spectrum    1 weight  0.11000E+01 volume  0.94847E-02 ppm1      1.375 ppm2      4.227 CV     1
 ASSI {   46}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 24   and name HZ  ))
      4.000     2.000     2.000 peak    46 spectrum    1 weight  0.11000E+01 volume  0.22758E-03 ppm1      1.363 ppm2      7.157 CV     1
 ASSI {   48}
   (  segid "    " and resid 79   and name HG1%)
   (  segid "    " and resid 21   and name HD% )
      5.100     5.100     0.900 peak    48 spectrum    1 weight  0.11000E+01 volume  0.23522E-03 ppm1      1.361 ppm2      7.509 CV     1
 ASSI {   53}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.700     0.900     0.900 peak    53 spectrum    1 weight  0.11000E+01 volume  0.41812E-02 ppm1      4.711 ppm2      3.123 CV     1
 ASSI {   55}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.700     0.900     0.900 peak    55 spectrum    1 weight  0.11000E+01 volume  0.29519E-02 ppm1      4.528 ppm2      2.753 CV     1
 ASSI {   61}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.800     1.000     1.000 peak    61 spectrum    1 weight  0.11000E+01 volume  0.31302E-02 ppm1      4.267 ppm2      2.596 CV     1
 ASSI {   65}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak    65 spectrum    1 weight  0.11000E+01 volume  0.30659E-02 ppm1      2.522 ppm2      4.430 CV     1
 ASSI {   72}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.600     0.800     0.800 peak    72 spectrum    1 weight  0.11000E+01 volume  0.35274E-02 ppm1      4.548 ppm2      3.050 CV     1
 ASSI {   74}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.800     0.900     0.900 peak    74 spectrum    1 weight  0.11000E+01 volume  0.40153E-02 ppm1      4.551 ppm2      2.584 CV     1
 ASSI {   79}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      2.700     0.900     0.900 peak    79 spectrum    1 weight  0.11000E+01 volume  0.43263E-02 ppm1      4.128 ppm2      2.026 CV     1
 ASSI {   81}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
      1.700     1.700     4.300 peak    81 spectrum    1 weight  0.11000E+01 volume  0.91158E-01 ppm1      4.137 ppm2      4.135 CV     1
 ASSI {   86}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HB2 ))
      1.800     0.400     0.400 peak    86 spectrum    1 weight  0.11000E+01 volume  0.12198E-01 ppm1      3.065 ppm2      2.720 CV     1
 ASSI {   88}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.400     0.700     0.700 peak    88 spectrum    1 weight  0.11000E+01 volume  0.71194E-02 ppm1      4.428 ppm2      4.043 CV     1
 ASSI {   90}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.11000E+01 volume  0.71992E-02 ppm1      4.431 ppm2      3.864 CV     1
 ASSI {   91}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HA  ))
      3.200     1.200     1.200 peak    91 spectrum    1 weight  0.11000E+01 volume  0.20167E-02 ppm1      3.803 ppm2      4.422 CV     1
 ASSI {  100}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 50   and name HD1%)
      4.800     4.800     1.200 peak   100 spectrum    1 weight  0.11000E+01 volume  0.30047E-03 ppm1      4.290 ppm2      0.438 CV     1
 ASSI {  105}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HA  ))
      2.300     2.300     3.700 peak   105 spectrum    1 weight  0.11000E+01 volume  0.57521E-02 ppm1      0.783 ppm2      3.529 CV     1
 ASSI {  107}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      2.600     2.600     3.400 peak   107 spectrum    1 weight  0.11000E+01 volume  0.42200E-02 ppm1      0.683 ppm2      3.627 CV     1
 ASSI {  109}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   109 spectrum    1 weight  0.11000E+01 volume  0.94276E-02 ppm1      3.913 ppm2      4.281 CV     1
 ASSI {  111}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.400     0.700     0.700 peak   111 spectrum    1 weight  0.11000E+01 volume  0.80100E-02 ppm1      4.234 ppm2      3.903 CV     1
 ASSI {  113}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.400     1.400     1.400 peak   113 spectrum    1 weight  0.11000E+01 volume  0.18496E-02 ppm1      4.292 ppm2      2.827 CV     1
 ASSI {  116}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HB  ))
      2.500     0.800     0.800 peak   116 spectrum    1 weight  0.11000E+01 volume  0.48447E-02 ppm1      0.688 ppm2      1.865 CV     1
 ASSI {  126}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HG11))
      2.800     2.800     3.200 peak   126 spectrum    1 weight  0.11000E+01 volume  0.29545E-02 ppm1      0.729 ppm2      1.783 CV     1
 OR {  126}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HG12))
 ASSI {  128}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB  ))
      2.800     1.000     1.000 peak   128 spectrum    1 weight  0.11000E+01 volume  0.32705E-02 ppm1      3.664 ppm2      1.988 CV     1
 ASSI {  129}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG11))
      2.900     1.000     1.000 peak   129 spectrum    1 weight  0.11000E+01 volume  0.30283E-02 ppm1      3.671 ppm2      1.590 CV     1
 ASSI {  131}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG12))
      3.000     1.100     1.100 peak   131 spectrum    1 weight  0.11000E+01 volume  0.20187E-02 ppm1      3.669 ppm2      1.188 CV     1
 ASSI {  132}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.11000E+01 volume  0.25633E-02 ppm1      3.664 ppm2      0.874 CV     1
 ASSI {  133}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HD1%)
      3.200     1.300     1.300 peak   133 spectrum    1 weight  0.11000E+01 volume  0.37098E-02 ppm1      3.663 ppm2      0.742 CV     1
 ASSI {  135}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 91   and name HG11))
      2.600     0.800     0.800 peak   135 spectrum    1 weight  0.11000E+01 volume  0.39787E-02 ppm1      2.002 ppm2      1.579 CV     1
 ASSI {  137}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 91   and name HG12))
      2.900     1.100     1.100 peak   137 spectrum    1 weight  0.11000E+01 volume  0.27546E-02 ppm1      2.002 ppm2      1.186 CV     1
 ASSI {  138}
   (( segid "    " and resid 91   and name HB  ))
   (  segid "    " and resid 91   and name HG2%)
      2.400     0.700     0.700 peak   138 spectrum    1 weight  0.11000E+01 volume  0.69572E-02 ppm1      2.002 ppm2      0.881 CV     1
 ASSI {  139}
   (( segid "    " and resid 91   and name HB  ))
   (  segid "    " and resid 91   and name HD1%)
      2.800     1.000     1.000 peak   139 spectrum    1 weight  0.11000E+01 volume  0.38982E-02 ppm1      2.002 ppm2      0.717 CV     1
 ASSI {  155}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      4.800     2.900     1.200 peak   155 spectrum    1 weight  0.11000E+01 volume  0.85624E-03 ppm1      2.395 ppm2      4.911 CV     1
 ASSI {  159}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG11))
      2.000     0.500     0.500 peak   159 spectrum    1 weight  0.11000E+01 volume  0.99617E-02 ppm1      0.753 ppm2      1.571 CV     1
 ASSI {  161}
   (  segid "    " and resid 43   and name HD1%)
   (  segid "    " and resid 43   and name HG2%)
      2.200     2.200     3.800 peak   161 spectrum    1 weight  0.11000E+01 volume  0.93418E-02 ppm1      0.753 ppm2      0.867 CV     1
 ASSI {  166}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.400     1.400 peak   166 spectrum    1 weight  0.11000E+01 volume  0.12983E-02 ppm1      2.053 ppm2      4.081 CV     1
 ASSI {  167}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.11000E+01 volume  0.69941E-02 ppm1      0.884 ppm2      4.206 CV     1
 ASSI {  169}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.500     0.800     0.800 peak   169 spectrum    1 weight  0.11000E+01 volume  0.65163E-02 ppm1      4.190 ppm2      1.894 CV     1
 ASSI {  171}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      3.000     3.000     3.000 peak   171 spectrum    1 weight  0.11000E+01 volume  0.28322E-02 ppm1      4.195 ppm2      0.945 CV     1
 ASSI {  175}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 13   and name HD1%)
      2.700     0.900     0.900 peak   175 spectrum    1 weight  0.11000E+01 volume  0.41201E-02 ppm1      1.889 ppm2      0.954 CV     1
 ASSI {  176}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 13   and name HD2%)
      2.700     2.700     3.300 peak   176 spectrum    1 weight  0.11000E+01 volume  0.43259E-02 ppm1      1.889 ppm2      0.878 CV     1
 ASSI {  177}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB1 ))
      2.000     0.500     0.500 peak   177 spectrum    1 weight  0.11000E+01 volume  0.56242E-02 ppm1      1.749 ppm2      1.886 CV     1
 ASSI {  178}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     2.900     3.100 peak   178 spectrum    1 weight  0.11000E+01 volume  0.19095E-02 ppm1      1.749 ppm2      4.197 CV     1
 ASSI {  179}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.11000E+01 volume  0.30114E-02 ppm1      1.749 ppm2      0.955 CV     1
 ASSI {  180}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HD2%)
      2.700     0.900     0.900 peak   180 spectrum    1 weight  0.11000E+01 volume  0.52404E-02 ppm1      1.754 ppm2      0.887 CV     1
 ASSI {  181}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     3.100     2.900 peak   181 spectrum    1 weight  0.11000E+01 volume  0.18636E-02 ppm1      1.763 ppm2      4.188 CV     1
 ASSI {  182}
   (( segid "    " and resid 13   and name HG  ))
   (  segid "    " and resid 13   and name HD1%)
      2.500     2.500     3.500 peak   182 spectrum    1 weight  0.11000E+01 volume  0.51394E-02 ppm1      1.763 ppm2      0.951 CV     1
 ASSI {  183}
   (( segid "    " and resid 13   and name HG  ))
   (  segid "    " and resid 13   and name HD2%)
      2.800     2.800     3.200 peak   183 spectrum    1 weight  0.11000E+01 volume  0.26056E-02 ppm1      1.763 ppm2      0.856 CV     1
 ASSI {  187}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG  ))
      2.700     2.700     3.300 peak   187 spectrum    1 weight  0.11000E+01 volume  0.35739E-02 ppm1      2.037 ppm2      0.919 CV     1
 ASSI {  189}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.400     1.400 peak   189 spectrum    1 weight  0.11000E+01 volume  0.95682E-03 ppm1      2.044 ppm2      1.371 CV     1
 ASSI {  195}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      2.200     0.600     0.600 peak   195 spectrum    1 weight  0.11000E+01 volume  0.76389E-02 ppm1      0.419 ppm2      4.560 CV     1
 ASSI {  202}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 71   and name HD1%)
      2.700     2.700     3.300 peak   202 spectrum    1 weight  0.11000E+01 volume  0.28650E-02 ppm1      1.471 ppm2      0.034 CV     1
 ASSI {  211}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.000     0.500     0.500 peak   211 spectrum    1 weight  0.11000E+01 volume  0.55436E-02 ppm1      1.473 ppm2      0.796 CV     1
 ASSI {  220}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 71   and name HG  ))
      2.400     0.700     0.700 peak   220 spectrum    1 weight  0.11000E+01 volume  0.58084E-02 ppm1      0.416 ppm2      1.152 CV     1
 ASSI {  221}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 71   and name HG  ))
      2.400     0.700     0.700 peak   221 spectrum    1 weight  0.11000E+01 volume  0.56634E-02 ppm1      0.049 ppm2      1.150 CV     1
 ASSI {  222}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.400     1.400 peak   222 spectrum    1 weight  0.11000E+01 volume  0.21335E-02 ppm1      0.422 ppm2      1.469 CV     1
 ASSI {  225}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.100     1.100 peak   225 spectrum    1 weight  0.11000E+01 volume  0.43185E-02 ppm1      0.041 ppm2      0.783 CV     1
 ASSI {  232}
   (  segid "    " and resid 29   and name HG2%)
   (  segid "    " and resid 29   and name HD1%)
      2.400     2.400     3.600 peak   232 spectrum    1 weight  0.11000E+01 volume  0.60345E-02 ppm1      0.764 ppm2      0.677 CV     1
 ASSI {  234}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HG11))
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.11000E+01 volume  0.52154E-02 ppm1      0.685 ppm2      1.737 CV     1
 ASSI {  237}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HB  ))
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.11000E+01 volume  0.39325E-02 ppm1      0.771 ppm2      1.856 CV     1
 ASSI {  238}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HG12))
      1.900     1.900     4.100 peak   238 spectrum    1 weight  0.11000E+01 volume  0.16625E-01 ppm1      0.754 ppm2      0.924 CV     1
 ASSI {  239}
   (( segid "    " and resid 29   and name HG11))
   (( segid "    " and resid 29   and name HB  ))
      2.400     0.700     0.700 peak   239 spectrum    1 weight  0.11000E+01 volume  0.54265E-02 ppm1      1.776 ppm2      1.849 CV     1
 ASSI {  241}
   (( segid "    " and resid 29   and name HG12))
   (  segid "    " and resid 29   and name HD1%)
      2.800     1.000     1.000 peak   241 spectrum    1 weight  0.11000E+01 volume  0.20667E-02 ppm1      0.900 ppm2      0.680 CV     1
 ASSI {  246}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 102  and name HD1%)
      1.200     1.200     4.800 peak   246 spectrum    1 weight  0.11000E+01 volume  0.10480E+01 ppm1      0.827 ppm2      0.826 CV     1
 ASSI {  247}
   (( segid "    " and resid 100  and name HA  ))
   (  segid "    " and resid 100  and name HD1%)
      2.800     2.800     3.200 peak   247 spectrum    1 weight  0.11000E+01 volume  0.67218E-02 ppm1      4.267 ppm2      0.833 CV     1
 ASSI {  248}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.11000E+01 volume  0.48779E-02 ppm1      4.260 ppm2      1.546 CV     1
 ASSI {  251}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.700     0.900     0.900 peak   251 spectrum    1 weight  0.11000E+01 volume  0.36041E-02 ppm1      4.260 ppm2      1.686 CV     1
 ASSI {  253}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HB2 ))
      2.400     0.700     0.700 peak   253 spectrum    1 weight  0.11000E+01 volume  0.92255E-02 ppm1      0.830 ppm2      1.569 CV     1
 ASSI {  254}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HB1 ))
      3.100     1.200     1.200 peak   254 spectrum    1 weight  0.11000E+01 volume  0.27348E-02 ppm1      0.822 ppm2      1.684 CV     1
 ASSI {  259}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 102  and name HD1%)
      3.000     1.100     1.100 peak   259 spectrum    1 weight  0.11000E+01 volume  0.57421E-02 ppm1      4.388 ppm2      0.831 CV     1
 ASSI {  262}
   (( segid "    " and resid 102  and name HB1 ))
   (  segid "    " and resid 102  and name HD1%)
      2.800     1.000     1.000 peak   262 spectrum    1 weight  0.11000E+01 volume  0.54963E-02 ppm1      1.595 ppm2      0.818 CV     1
 ASSI {  263}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB1 ))
      2.500     0.800     0.800 peak   263 spectrum    1 weight  0.11000E+01 volume  0.59479E-02 ppm1      4.387 ppm2      1.589 CV     1
 ASSI {  266}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      2.800     1.000     1.000 peak   266 spectrum    1 weight  0.11000E+01 volume  0.41794E-02 ppm1      4.321 ppm2      1.141 CV     1
 ASSI {  267}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   267 spectrum    1 weight  0.11000E+01 volume  0.14060E-01 ppm1      4.323 ppm2      4.156 CV     1
 ASSI {  270}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB  ))
      2.700     0.900     0.900 peak   270 spectrum    1 weight  0.11000E+01 volume  0.31515E-02 ppm1      4.370 ppm2      4.630 CV     1
 ASSI {  273}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HB  ))
      2.500     0.800     0.800 peak   273 spectrum    1 weight  0.11000E+01 volume  0.53538E-02 ppm1      1.336 ppm2      4.630 CV     1
 ASSI {  274}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.800     0.800 peak   274 spectrum    1 weight  0.11000E+01 volume  0.58058E-02 ppm1      1.336 ppm2      4.365 CV     1
 ASSI {  281}
   (  segid "    " and resid 79   and name HG1%)
   (  segid "    " and resid 79   and name HG2%)
      2.700     2.700     3.300 peak   281 spectrum    1 weight  0.11000E+01 volume  0.34430E-02 ppm1      1.361 ppm2      0.992 CV     1
 ASSI {  288}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.000     0.500     0.500 peak   288 spectrum    1 weight  0.11000E+01 volume  0.69974E-02 ppm1      2.744 ppm2      2.619 CV     1
 ASSI {  295}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak   295 spectrum    1 weight  0.11000E+01 volume  0.20132E-02 ppm1      2.608 ppm2      2.459 CV     1
 ASSI {  301}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.000     0.500     0.500 peak   301 spectrum    1 weight  0.11000E+01 volume  0.76598E-02 ppm1      2.522 ppm2      2.795 CV     1
 ASSI {  306}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
      1.700     0.400     0.500 peak   306 spectrum    1 weight  0.11000E+01 volume  0.14665E-01 ppm1      2.600 ppm2      3.044 CV     1
 ASSI {  311}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      1.800     0.400     0.400 peak   311 spectrum    1 weight  0.11000E+01 volume  0.12419E-01 ppm1      2.918 ppm2      2.768 CV     1
 ASSI {  315}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 7    and name HB  ))
      1.500     1.500     4.500 peak   315 spectrum    1 weight  0.11000E+01 volume  0.12000E+00 ppm1      2.028 ppm2      2.029 CV     1
 ASSI {  317}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      2.200     0.600     0.600 peak   317 spectrum    1 weight  0.11000E+01 volume  0.13137E-01 ppm1      2.021 ppm2      0.894 CV     1
 ASSI {  319}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   319 spectrum    1 weight  0.11000E+01 volume  0.49245E-02 ppm1      0.904 ppm2      4.133 CV     1
 ASSI {  321}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
      2.400     2.400     3.600 peak   321 spectrum    1 weight  0.11000E+01 volume  0.69978E-02 ppm1      4.107 ppm2      0.902 CV     1
 ASSI {  322}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.11000E+01 volume  0.38314E-02 ppm1      4.108 ppm2      1.364 CV     1
 ASSI {  323}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 57   and name HD1 ))
      5.500     3.700     0.500 peak   323 spectrum    1 weight  0.11000E+01 volume  0.16074E-03 ppm1      0.720 ppm2      1.325 CV     1
 ASSI {  324}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      3.600     1.600     1.600 peak   324 spectrum    1 weight  0.11000E+01 volume  0.11768E-02 ppm1      4.097 ppm2      0.975 CV     1
 ASSI {  325}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.700     0.900     0.900 peak   325 spectrum    1 weight  0.11000E+01 volume  0.33861E-02 ppm1      4.099 ppm2      2.045 CV     1
 ASSI {  329}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 25   and name HG1%)
      4.300     2.300     1.700 peak   329 spectrum    1 weight  0.11000E+01 volume  0.68658E-03 ppm1      2.062 ppm2      0.755 CV     1
 ASSI {  330}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.100     0.600     0.600 peak   330 spectrum    1 weight  0.11000E+01 volume  0.38832E-02 ppm1      2.059 ppm2      1.365 CV     1
 ASSI {  331}
   (( segid "    " and resid 28   and name HB1 ))
   (  segid "    " and resid 28   and name HD2%)
      2.900     1.100     1.100 peak   331 spectrum    1 weight  0.11000E+01 volume  0.24079E-02 ppm1      2.064 ppm2      0.981 CV     1
 ASSI {  332}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HG  ))
      2.700     2.700     3.300 peak   332 spectrum    1 weight  0.11000E+01 volume  0.32314E-02 ppm1      2.065 ppm2      0.910 CV     1
 ASSI {  334}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG  ))
      2.800     2.800     3.200 peak   334 spectrum    1 weight  0.11000E+01 volume  0.29404E-02 ppm1      1.383 ppm2      0.891 CV     1
 ASSI {  335}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      2.200     2.200     3.800 peak   335 spectrum    1 weight  0.11000E+01 volume  0.41398E-02 ppm1      1.382 ppm2      2.033 CV     1
 OR {  335}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  339}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HB2 ))
      2.800     1.000     1.000 peak   339 spectrum    1 weight  0.11000E+01 volume  0.42051E-02 ppm1      0.989 ppm2      1.384 CV     1
 ASSI {  340}
   (  segid "    " and resid 28   and name HD2%)
   (  segid "    " and resid 28   and name HD1%)
      2.600     0.900     0.900 peak   340 spectrum    1 weight  0.11000E+01 volume  0.57044E-02 ppm1      0.975 ppm2      2.050 CV     1
 ASSI {  341}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      3.300     1.400     1.400 peak   341 spectrum    1 weight  0.11000E+01 volume  0.16469E-02 ppm1      0.976 ppm2      3.583 CV     1
 ASSI {  343}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   343 spectrum    1 weight  0.11000E+01 volume  0.84896E-02 ppm1      0.882 ppm2      4.032 CV     1
 ASSI {  352}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.300     0.600     0.600 peak   352 spectrum    1 weight  0.11000E+01 volume  0.77445E-02 ppm1      2.398 ppm2      4.398 CV     1
 ASSI {  353}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HG1 ))
      2.300     0.600     0.600 peak   353 spectrum    1 weight  0.11000E+01 volume  0.64861E-02 ppm1      2.400 ppm2      2.063 CV     1
 ASSI {  354}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.500     0.800     0.800 peak   354 spectrum    1 weight  0.11000E+01 volume  0.81611E-02 ppm1      2.396 ppm2      1.974 CV     1
 ASSI {  358}
   (( segid "    " and resid 33   and name HG1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak   358 spectrum    1 weight  0.11000E+01 volume  0.30089E-02 ppm1      2.059 ppm2      4.398 CV     1
 ASSI {  359}
   (( segid "    " and resid 33   and name HG1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.800     1.800     1.800 peak   359 spectrum    1 weight  0.11000E+01 volume  0.29411E-02 ppm1      2.060 ppm2      4.908 CV     1
 ASSI {  361}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HD1 ))
      1.800     0.400     0.400 peak   361 spectrum    1 weight  0.11000E+01 volume  0.84031E-02 ppm1      3.790 ppm2      4.017 CV     1
 ASSI {  368}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.700     0.900     0.900 peak   368 spectrum    1 weight  0.11000E+01 volume  0.26015E-02 ppm1      3.790 ppm2      2.025 CV     1
 OR {  368}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG1 ))
 ASSI {  369}
   (( segid "    " and resid 33   and name HD1 ))
   (( segid "    " and resid 33   and name HG1 ))
      2.700     0.900     0.900 peak   369 spectrum    1 weight  0.11000E+01 volume  0.25805E-02 ppm1      4.021 ppm2      2.025 CV     1
 OR {  369}
   (( segid "    " and resid 33   and name HD1 ))
   (( segid "    " and resid 33   and name HG2 ))
 ASSI {  370}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HD1 ))
      4.200     2.200     1.800 peak   370 spectrum    1 weight  0.11000E+01 volume  0.12519E-02 ppm1      2.396 ppm2      4.018 CV     1
 ASSI {  371}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD1 ))
      3.100     1.200     1.200 peak   371 spectrum    1 weight  0.11000E+01 volume  0.18697E-02 ppm1      4.289 ppm2      3.135 CV     1
 ASSI {  373}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      4.100     2.100     1.900 peak   373 spectrum    1 weight  0.11000E+01 volume  0.10370E-02 ppm1      4.298 ppm2      1.888 CV     1
 ASSI {  374}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.800     2.800     3.200 peak   374 spectrum    1 weight  0.11000E+01 volume  0.16742E-02 ppm1      4.299 ppm2      1.741 CV     1
 ASSI {  376}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HD1 ))
      3.400     1.400     1.400 peak   376 spectrum    1 weight  0.11000E+01 volume  0.91796E-03 ppm1      2.084 ppm2      3.115 CV     1
 ASSI {  382}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HG1 ))
      2.700     0.900     0.900 peak   382 spectrum    1 weight  0.11000E+01 volume  0.17306E-02 ppm1      3.125 ppm2      1.834 CV     1
 ASSI {  383}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.200     0.600     0.600 peak   383 spectrum    1 weight  0.11000E+01 volume  0.27390E-02 ppm1      3.125 ppm2      1.743 CV     1
 ASSI {  386}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HB1 ))
      5.000     3.100     1.000 peak   386 spectrum    1 weight  0.11000E+01 volume  0.30366E-03 ppm1      1.763 ppm2      2.109 CV     1
 ASSI {  388}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HG1 ))
      3.100     1.200     1.200 peak   388 spectrum    1 weight  0.11000E+01 volume  0.16634E-02 ppm1      1.763 ppm2      1.839 CV     1
 ASSI {  392}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 17   and name HZ2 ))
      4.000     2.000     2.000 peak   392 spectrum    1 weight  0.11000E+01 volume  0.37687E-03 ppm1      1.736 ppm2      6.968 CV     1
 ASSI {  393}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      4.200     2.200     1.800 peak   393 spectrum    1 weight  0.11000E+01 volume  0.48443E-03 ppm1      0.981 ppm2      3.675 CV     1
 ASSI {  397}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak   397 spectrum    1 weight  0.11000E+01 volume  0.27679E-02 ppm1      3.976 ppm2      1.843 CV     1
 ASSI {  398}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG2 ))
      3.900     3.900     2.100 peak   398 spectrum    1 weight  0.11000E+01 volume  0.15928E-02 ppm1      3.974 ppm2      1.733 CV     1
 ASSI {  402}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     2.700     3.300 peak   402 spectrum    1 weight  0.11000E+01 volume  0.12229E-02 ppm1      2.256 ppm2      1.856 CV     1
 OR {  402}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HG1 ))
 ASSI {  405}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HD1 ))
      4.000     2.000     2.000 peak   405 spectrum    1 weight  0.11000E+01 volume  0.10453E-02 ppm1      1.852 ppm2      3.573 CV     1
 ASSI {  406}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HB1 ))
      2.000     0.500     0.500 peak   406 spectrum    1 weight  0.11000E+01 volume  0.62012E-02 ppm1      1.856 ppm2      2.244 CV     1
 ASSI {  408}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 59   and name HD2%)
      3.700     3.700     2.300 peak   408 spectrum    1 weight  0.11000E+01 volume  0.23322E-02 ppm1      2.109 ppm2      0.775 CV     1
 ASSI {  412}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.000     0.500     0.500 peak   412 spectrum    1 weight  0.11000E+01 volume  0.43867E-02 ppm1      3.575 ppm2      3.321 CV     1
 ASSI {  416}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.100     1.200     1.200 peak   416 spectrum    1 weight  0.11000E+01 volume  0.25260E-02 ppm1      3.575 ppm2      2.251 CV     1
 ASSI {  418}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 25   and name HB  ))
      2.600     0.900     0.900 peak   418 spectrum    1 weight  0.11000E+01 volume  0.13903E-02 ppm1      3.575 ppm2      1.851 CV     1
 ASSI {  436}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.700     0.900     0.900 peak   436 spectrum    1 weight  0.11000E+01 volume  0.20801E-02 ppm1      4.772 ppm2      3.186 CV     1
 ASSI {  437}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600     0.800     0.800 peak   437 spectrum    1 weight  0.11000E+01 volume  0.30334E-02 ppm1      4.772 ppm2      3.027 CV     1
 ASSI {  438}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.800     2.800     3.200 peak   438 spectrum    1 weight  0.11000E+01 volume  0.22739E-02 ppm1      4.192 ppm2      3.208 CV     1
 ASSI {  442}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.800     1.000     1.000 peak   442 spectrum    1 weight  0.11000E+01 volume  0.34991E-02 ppm1      4.250 ppm2      3.304 CV     1
 ASSI {  447}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      4.000     2.000     2.000 peak   447 spectrum    1 weight  0.11000E+01 volume  0.15673E-02 ppm1      4.379 ppm2      3.118 CV     1
 ASSI {  458}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG1%)
      2.600     0.800     0.800 peak   458 spectrum    1 weight  0.11000E+01 volume  0.37792E-02 ppm1      3.157 ppm2      1.138 CV     1
 ASSI {  459}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   459 spectrum    1 weight  0.11000E+01 volume  0.13190E-02 ppm1      2.164 ppm2      3.137 CV     1
 ASSI {  460}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG1%)
      2.300     0.600     0.600 peak   460 spectrum    1 weight  0.11000E+01 volume  0.61933E-02 ppm1      2.166 ppm2      1.139 CV     1
 ASSI {  464}
   (  segid "    " and resid 51   and name HG1%)
   (  segid "    " and resid 51   and name HG2%)
      2.200     2.200     3.800 peak   464 spectrum    1 weight  0.11000E+01 volume  0.11157E-01 ppm1      1.156 ppm2      0.891 CV     1
 ASSI {  467}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HB  ))
      2.300     0.600     0.600 peak   467 spectrum    1 weight  0.11000E+01 volume  0.68945E-02 ppm1      0.907 ppm2      2.163 CV     1
 ASSI {  470}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG11))
      2.600     2.600     3.400 peak   470 spectrum    1 weight  0.11000E+01 volume  0.19279E-02 ppm1      3.265 ppm2      1.241 CV     1
 ASSI {  476}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 50   and name HG2%)
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.11000E+01 volume  0.39672E-02 ppm1      1.594 ppm2      0.661 CV     1
 ASSI {  477}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 50   and name HD1%)
      2.600     0.800     0.800 peak   477 spectrum    1 weight  0.11000E+01 volume  0.31445E-02 ppm1      1.593 ppm2      0.454 CV     1
 ASSI {  480}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 50   and name HG2%)
      3.700     3.700     2.300 peak   480 spectrum    1 weight  0.11000E+01 volume  0.12048E-02 ppm1      1.252 ppm2      0.658 CV     1
 ASSI {  481}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 50   and name HD1%)
      2.600     2.600     3.400 peak   481 spectrum    1 weight  0.11000E+01 volume  0.23634E-02 ppm1      1.248 ppm2      0.454 CV     1
 ASSI {  482}
   (( segid "    " and resid 50   and name HG11))
   (( segid "    " and resid 50   and name HG12))
      2.100     2.100     3.900 peak   482 spectrum    1 weight  0.11000E+01 volume  0.30831E-02 ppm1      1.242 ppm2     -0.007 CV     1
 ASSI {  488}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   488 spectrum    1 weight  0.11000E+01 volume  0.42278E-02 ppm1      0.664 ppm2      3.261 CV     1
 ASSI {  490}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 50   and name HD1%)
      2.400     2.400     3.600 peak   490 spectrum    1 weight  0.11000E+01 volume  0.59867E-02 ppm1      0.655 ppm2      0.451 CV     1
 ASSI {  491}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HG12))
      2.400     0.700     0.700 peak   491 spectrum    1 weight  0.11000E+01 volume  0.37583E-02 ppm1      0.668 ppm2     -0.005 CV     1
 ASSI {  495}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 50   and name HG12))
      2.500     0.800     0.800 peak   495 spectrum    1 weight  0.11000E+01 volume  0.32820E-02 ppm1      0.460 ppm2     -0.004 CV     1
 ASSI {  499}
   (( segid "    " and resid 50   and name HG11))
   (( segid "    " and resid 50   and name HB  ))
      1.900     1.900     4.100 peak   499 spectrum    1 weight  0.11000E+01 volume  0.13736E-01 ppm1      1.237 ppm2      1.583 CV     1
 ASSI {  503}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG12))
      3.000     1.100     1.100 peak   503 spectrum    1 weight  0.11000E+01 volume  0.27393E-02 ppm1      3.716 ppm2      1.179 CV     1
 ASSI {  504}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HG2%)
      2.500     0.800     0.800 peak   504 spectrum    1 weight  0.11000E+01 volume  0.57040E-02 ppm1      3.716 ppm2      0.773 CV     1
 ASSI {  505}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
      2.600     0.800     0.800 peak   505 spectrum    1 weight  0.11000E+01 volume  0.40895E-02 ppm1      3.716 ppm2      0.698 CV     1
 ASSI {  507}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 90   and name HA  ))
      2.800     0.900     0.900 peak   507 spectrum    1 weight  0.11000E+01 volume  0.35159E-02 ppm1      1.982 ppm2      3.702 CV     1
 ASSI {  508}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 90   and name HG11))
      2.500     0.800     0.800 peak   508 spectrum    1 weight  0.11000E+01 volume  0.36038E-02 ppm1      1.986 ppm2      1.400 CV     1
 ASSI {  509}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 90   and name HG12))
      2.600     0.800     0.800 peak   509 spectrum    1 weight  0.11000E+01 volume  0.30725E-02 ppm1      1.986 ppm2      1.190 CV     1
 ASSI {  510}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 90   and name HG2%)
      2.300     0.600     0.600 peak   510 spectrum    1 weight  0.11000E+01 volume  0.74681E-02 ppm1      1.989 ppm2      0.786 CV     1
 ASSI {  518}
   (( segid "    " and resid 90   and name HG11))
   (( segid "    " and resid 90   and name HG12))
      1.800     0.400     0.400 peak   518 spectrum    1 weight  0.11000E+01 volume  0.94101E-02 ppm1      1.408 ppm2      1.197 CV     1
 ASSI {  526}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 91   and name HG11))
      2.500     2.500     3.500 peak   526 spectrum    1 weight  0.11000E+01 volume  0.59923E-02 ppm1      0.737 ppm2      1.568 CV     1
 ASSI {  527}
   (  segid "    " and resid 91   and name HD1%)
   (( segid "    " and resid 91   and name HG12))
      2.500     2.500     3.500 peak   527 spectrum    1 weight  0.11000E+01 volume  0.59349E-02 ppm1      0.738 ppm2      1.200 CV     1
 ASSI {  533}
   (  segid "    " and resid 90   and name HG2%)
   (  segid "    " and resid 90   and name HD1%)
      2.500     2.500     3.500 peak   533 spectrum    1 weight  0.11000E+01 volume  0.55981E-02 ppm1      0.791 ppm2      0.706 CV     1
 ASSI {  536}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.700     0.900     0.900 peak   536 spectrum    1 weight  0.11000E+01 volume  0.36070E-02 ppm1      1.889 ppm2      3.184 CV     1
 ASSI {  540}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   540 spectrum    1 weight  0.11000E+01 volume  0.30229E-02 ppm1      3.194 ppm2      4.089 CV     1
 ASSI {  541}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     0.800     0.800 peak   541 spectrum    1 weight  0.11000E+01 volume  0.61918E-02 ppm1      3.195 ppm2      1.896 CV     1
 ASSI {  542}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   542 spectrum    1 weight  0.11000E+01 volume  0.11879E-01 ppm1      3.191 ppm2      1.585 CV     1
 ASSI {  547}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      2.700     2.700     3.300 peak   547 spectrum    1 weight  0.11000E+01 volume  0.44554E-02 ppm1      3.330 ppm2     -0.005 CV     1
 ASSI {  550}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      3.700     1.700     1.700 peak   550 spectrum    1 weight  0.11000E+01 volume  0.83203E-03 ppm1      0.701 ppm2      1.191 CV     1
 ASSI {  552}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      3.100     1.200     1.200 peak   552 spectrum    1 weight  0.11000E+01 volume  0.14553E-02 ppm1      0.706 ppm2      0.211 CV     1
 ASSI {  553}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      3.000     1.100     1.100 peak   553 spectrum    1 weight  0.11000E+01 volume  0.12083E-02 ppm1      0.703 ppm2     -0.007 CV     1
 ASSI {  566}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
      4.100     2.100     1.900 peak   566 spectrum    1 weight  0.11000E+01 volume  0.16039E-02 ppm1      0.214 ppm2      3.325 CV     1
 ASSI {  568}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 54   and name HD2%)
      2.400     0.700     0.700 peak   568 spectrum    1 weight  0.11000E+01 volume  0.70053E-02 ppm1      0.213 ppm2     -0.005 CV     1
 ASSI {  569}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
      2.700     0.900     0.900 peak   569 spectrum    1 weight  0.11000E+01 volume  0.25308E-02 ppm1      0.212 ppm2     -0.105 CV     1
 ASSI {  580}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HG11))
      3.000     1.100     1.100 peak   580 spectrum    1 weight  0.11000E+01 volume  0.17841E-02 ppm1      1.987 ppm2      2.072 CV     1
 ASSI {  588}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HD1%)
      2.600     0.800     0.800 peak   588 spectrum    1 weight  0.11000E+01 volume  0.36881E-02 ppm1      3.264 ppm2      0.767 CV     1
 ASSI {  590}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      2.900     1.000     1.000 peak   590 spectrum    1 weight  0.11000E+01 volume  0.45676E-02 ppm1      3.265 ppm2      0.928 CV     1
 ASSI {  592}
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 92   and name HA  ))
      2.700     0.900     0.900 peak   592 spectrum    1 weight  0.11000E+01 volume  0.47955E-02 ppm1      1.720 ppm2      4.039 CV     1
 ASSI {  593}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HA  ))
      2.500     0.800     0.800 peak   593 spectrum    1 weight  0.11000E+01 volume  0.46306E-02 ppm1      1.617 ppm2      4.034 CV     1
 ASSI {  594}
   (  segid "    " and resid 92   and name HD1%)
   (( segid "    " and resid 92   and name HA  ))
      2.600     2.600     3.400 peak   594 spectrum    1 weight  0.11000E+01 volume  0.65145E-02 ppm1      0.808 ppm2      4.057 CV     1
 ASSI {  595}
   (  segid "    " and resid 92   and name HD1%)
   (( segid "    " and resid 92   and name HB2 ))
      2.200     2.200     3.800 peak   595 spectrum    1 weight  0.11000E+01 volume  0.12169E-01 ppm1      0.808 ppm2      1.602 CV     1
 ASSI {  596}
   (  segid "    " and resid 92   and name HD1%)
   (( segid "    " and resid 92   and name HB1 ))
      3.100     1.200     1.200 peak   596 spectrum    1 weight  0.11000E+01 volume  0.46892E-02 ppm1      0.808 ppm2      1.696 CV     1
 ASSI {  598}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
      2.400     0.700     0.700 peak   598 spectrum    1 weight  0.11000E+01 volume  0.78746E-02 ppm1      4.226 ppm2      1.136 CV     1
 ASSI {  602}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
      2.700     2.700     3.300 peak   602 spectrum    1 weight  0.11000E+01 volume  0.97752E-02 ppm1      1.378 ppm2      4.357 CV     1
 ASSI {  610}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      3.100     1.200     1.200 peak   610 spectrum    1 weight  0.11000E+01 volume  0.19941E-02 ppm1      4.039 ppm2      1.527 CV     1
 ASSI {  611}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.000     1.100     1.100 peak   611 spectrum    1 weight  0.11000E+01 volume  0.22341E-02 ppm1      4.043 ppm2      1.629 CV     1
 ASSI {  612}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
      2.000     0.500     0.500 peak   612 spectrum    1 weight  0.11000E+01 volume  0.55593E-02 ppm1      1.632 ppm2      1.349 CV     1
 ASSI {  615}
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 59   and name HD1%)
      3.600     1.600     1.600 peak   615 spectrum    1 weight  0.11000E+01 volume  0.17513E-02 ppm1      1.624 ppm2      0.882 CV     1
 ASSI {  618}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      3.000     1.100     1.100 peak   618 spectrum    1 weight  0.11000E+01 volume  0.17981E-02 ppm1      1.365 ppm2      0.872 CV     1
 ASSI {  625}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.100     1.100 peak   625 spectrum    1 weight  0.11000E+01 volume  0.32155E-02 ppm1      1.534 ppm2      1.355 CV     1
 ASSI {  626}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   626 spectrum    1 weight  0.11000E+01 volume  0.43875E-02 ppm1      1.533 ppm2      0.878 CV     1
 ASSI {  629}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      3.300     3.300     2.700 peak   629 spectrum    1 weight  0.11000E+01 volume  0.16542E-02 ppm1      0.815 ppm2      3.901 CV     1
 ASSI {  630}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak   630 spectrum    1 weight  0.11000E+01 volume  0.41797E-02 ppm1      0.815 ppm2      1.623 CV     1
 ASSI {  631}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HG  ))
      2.400     0.700     0.700 peak   631 spectrum    1 weight  0.11000E+01 volume  0.65700E-02 ppm1      0.815 ppm2      1.519 CV     1
 ASSI {  634}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HD1%)
      2.800     1.000     1.000 peak   634 spectrum    1 weight  0.11000E+01 volume  0.45803E-02 ppm1      3.544 ppm2      0.730 CV     1
 ASSI {  635}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HG2%)
      3.200     1.300     1.300 peak   635 spectrum    1 weight  0.11000E+01 volume  0.20110E-02 ppm1      3.544 ppm2      0.936 CV     1
 ASSI {  636}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG12))
      2.900     2.900     3.100 peak   636 spectrum    1 weight  0.11000E+01 volume  0.24098E-02 ppm1      3.532 ppm2      1.774 CV     1
 OR {  636}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG11))
 ASSI {  639}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HG12))
      3.300     3.300     2.700 peak   639 spectrum    1 weight  0.11000E+01 volume  0.10204E-02 ppm1      1.656 ppm2      1.785 CV     1
 OR {  639}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HG11))
 ASSI {  640}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 53   and name HG2%)
      2.700     2.700     3.300 peak   640 spectrum    1 weight  0.11000E+01 volume  0.32206E-02 ppm1      1.655 ppm2      0.925 CV     1
 ASSI {  641}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 53   and name HD1%)
      2.700     2.700     3.300 peak   641 spectrum    1 weight  0.11000E+01 volume  0.44475E-02 ppm1      1.651 ppm2      0.733 CV     1
 ASSI {  642}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.500     1.500 peak   642 spectrum    1 weight  0.11000E+01 volume  0.80339E-03 ppm1      1.660 ppm2      3.529 CV     1
 ASSI {  643}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 53   and name HD1%)
      2.600     2.600     3.400 peak   643 spectrum    1 weight  0.11000E+01 volume  0.82327E-02 ppm1      0.935 ppm2      0.733 CV     1
 ASSI {  647}
   (  segid "    " and resid 53   and name HD1%)
   (  segid "    " and resid 86   and name HE% )
      4.600     4.600     1.400 peak   647 spectrum    1 weight  0.11000E+01 volume  0.26260E-03 ppm1      0.757 ppm2      6.742 CV     1
 ASSI {  649}
   (( segid "    " and resid 53   and name HG12))
   (( segid "    " and resid 53   and name HA  ))
      3.500     3.500     2.500 peak   649 spectrum    1 weight  0.11000E+01 volume  0.13391E-02 ppm1      1.851 ppm2      3.575 CV     1
 ASSI {  650}
   (( segid "    " and resid 53   and name HG11))
   (  segid "    " and resid 53   and name HG2%)
      2.900     1.100     1.100 peak   650 spectrum    1 weight  0.11000E+01 volume  0.26260E-02 ppm1      1.847 ppm2      0.930 CV     1
 OR {  650}
   (( segid "    " and resid 53   and name HG12))
   (  segid "    " and resid 53   and name HG2%)
 ASSI {  651}
   (( segid "    " and resid 53   and name HG11))
   (  segid "    " and resid 53   and name HD1%)
      3.100     1.200     1.200 peak   651 spectrum    1 weight  0.11000E+01 volume  0.15371E-02 ppm1      1.853 ppm2      0.734 CV     1
 ASSI {  652}
   (( segid "    " and resid 63   and name HB1 ))
   (  segid "    " and resid 59   and name HD1%)
      4.700     2.700     1.300 peak   652 spectrum    1 weight  0.11000E+01 volume  0.82599E-03 ppm1      4.069 ppm2      0.878 CV     1
 ASSI {  653}
   (( segid "    " and resid 63   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      4.100     2.100     1.900 peak   653 spectrum    1 weight  0.11000E+01 volume  0.76359E-03 ppm1      3.986 ppm2      0.873 CV     1
 ASSI {  669}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      4.500     4.500     1.500 peak   669 spectrum    1 weight  0.11000E+01 volume  0.23172E-03 ppm1      3.074 ppm2      0.198 CV     1
 ASSI {  671}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      5.100     5.100     0.900 peak   671 spectrum    1 weight  0.11000E+01 volume  0.21453E-03 ppm1      2.935 ppm2      0.198 CV     1
 ASSI {  675}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      3.000     3.000     3.000 peak   675 spectrum    1 weight  0.11000E+01 volume  0.54717E-03 ppm1      3.326 ppm2      0.001 CV     1
 ASSI {  676}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD% )
      3.600     1.600     1.600 peak   676 spectrum    1 weight  0.11000E+01 volume  0.46821E-03 ppm1      3.327 ppm2      7.070 CV     1
 ASSI {  686}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 24   and name HE% )
      6.000     5.100     0.000 peak   686 spectrum    1 weight  0.11000E+01 volume  0.86895E-04 ppm1      2.906 ppm2      6.619 CV     1
 ASSI {  689}
   (( segid "    " and resid 50   and name HG12))
   (  segid "    " and resid 25   and name HG1%)
      4.800     2.900     1.200 peak   689 spectrum    1 weight  0.11000E+01 volume  0.33963E-03 ppm1      0.005 ppm2      0.764 CV     1
 ASSI {  691}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HD1%)
      4.000     2.000     2.000 peak   691 spectrum    1 weight  0.11000E+01 volume  0.14225E-02 ppm1      3.630 ppm2      0.453 CV     1
 ASSI {  696}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 50   and name HD1%)
      4.900     4.900     1.100 peak   696 spectrum    1 weight  0.11000E+01 volume  0.63310E-03 ppm1      1.342 ppm2      0.456 CV     1
 ASSI {  697}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 29   and name HD1%)
      2.700     2.700     3.300 peak   697 spectrum    1 weight  0.11000E+01 volume  0.53337E-02 ppm1      1.340 ppm2      0.679 CV     1
 ASSI {  698}
   (  segid "    " and resid 47   and name HB% )
   (  segid "    " and resid 29   and name HG2%)
      2.700     2.700     3.300 peak   698 spectrum    1 weight  0.11000E+01 volume  0.52829E-02 ppm1      1.343 ppm2      0.770 CV     1
 ASSI {  703}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HA  ))
      3.200     3.200     2.800 peak   703 spectrum    1 weight  0.11000E+01 volume  0.14696E-02 ppm1      1.333 ppm2      3.969 CV     1
 ASSI {  708}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak   708 spectrum    1 weight  0.11000E+01 volume  0.24557E-02 ppm1      4.229 ppm2      3.646 CV     1
 ASSI {  710}
   (  segid "    " and resid 79   and name HG1%)
   (  segid "    " and resid 54   and name HD2%)
      3.500     1.500     1.500 peak   710 spectrum    1 weight  0.11000E+01 volume  0.16730E-02 ppm1      1.361 ppm2     -0.010 CV     1
 ASSI {  711}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      4.200     2.200     1.800 peak   711 spectrum    1 weight  0.11000E+01 volume  0.87183E-03 ppm1      1.140 ppm2      3.533 CV     1
 ASSI {  712}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
      2.400     0.700     0.700 peak   712 spectrum    1 weight  0.11000E+01 volume  0.89547E-02 ppm1      1.143 ppm2      3.643 CV     1
 ASSI {  715}
   (  segid "    " and resid 79   and name HG2%)
   (  segid "    " and resid 54   and name HD1%)
      3.600     3.600     2.400 peak   715 spectrum    1 weight  0.11000E+01 volume  0.34039E-02 ppm1      1.016 ppm2      0.210 CV     1
 ASSI {  718}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 22   and name HA  ))
      3.600     3.600     2.400 peak   718 spectrum    1 weight  0.11000E+01 volume  0.22644E-02 ppm1      2.168 ppm2      3.785 CV     1
 ASSI {  719}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
      3.600     1.600     1.600 peak   719 spectrum    1 weight  0.11000E+01 volume  0.12204E-02 ppm1      1.149 ppm2      3.783 CV     1
 ASSI {  720}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.800     0.800 peak   720 spectrum    1 weight  0.11000E+01 volume  0.43271E-02 ppm1      0.906 ppm2      3.773 CV     1
 ASSI {  727}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      3.100     3.100     2.900 peak   727 spectrum    1 weight  0.11000E+01 volume  0.19843E-02 ppm1      0.683 ppm2      3.974 CV     1
 ASSI {  730}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 55   and name HG2%)
      3.400     1.400     1.400 peak   730 spectrum    1 weight  0.11000E+01 volume  0.17481E-02 ppm1      3.685 ppm2      1.357 CV     1
 ASSI {  731}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 55   and name HG2%)
      3.600     1.600     1.600 peak   731 spectrum    1 weight  0.11000E+01 volume  0.19213E-02 ppm1      3.414 ppm2      1.357 CV     1
 ASSI {  734}
   (( segid "    " and resid 33   and name HD1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   734 spectrum    1 weight  0.11000E+01 volume  0.63228E-02 ppm1      4.021 ppm2      4.901 CV     1
 ASSI {  736}
   (( segid "    " and resid 33   and name HD1 ))
   (( segid "    " and resid 32   and name HB2 ))
      5.300     3.500     0.700 peak   736 spectrum    1 weight  0.11000E+01 volume  0.66524E-03 ppm1      4.018 ppm2      2.681 CV     1
 ASSI {  739}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak   739 spectrum    1 weight  0.11000E+01 volume  0.22163E-02 ppm1      2.723 ppm2      3.644 CV     1
 ASSI {  747}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HB2 ))
      1.800     0.400     0.400 peak   747 spectrum    1 weight  0.11000E+01 volume  0.75091E-02 ppm1      3.062 ppm2      2.695 CV     1
 ASSI {  750}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 50   and name HD1%)
      4.700     4.700     1.300 peak   750 spectrum    1 weight  0.11000E+01 volume  0.36063E-03 ppm1      3.079 ppm2      0.441 CV     1
 ASSI {  751}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 50   and name HD1%)
      4.100     4.100     1.900 peak   751 spectrum    1 weight  0.11000E+01 volume  0.11172E-02 ppm1      2.726 ppm2      0.444 CV     1
 ASSI {  752}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 29   and name HD1%)
      3.100     1.200     1.200 peak   752 spectrum    1 weight  0.11000E+01 volume  0.11516E-02 ppm1      3.071 ppm2      0.676 CV     1
 ASSI {  753}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
      3.600     1.600     1.600 peak   753 spectrum    1 weight  0.11000E+01 volume  0.15597E-02 ppm1      2.725 ppm2      0.672 CV     1
 ASSI {  757}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.300     4.300     1.700 peak   757 spectrum    1 weight  0.11000E+01 volume  0.14842E-02 ppm1      2.787 ppm2      4.185 CV     1
 ASSI {  759}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      5.300     3.500     0.700 peak   759 spectrum    1 weight  0.11000E+01 volume  0.22122E-03 ppm1      3.162 ppm2      4.387 CV     1
 ASSI {  760}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.600     3.600     2.400 peak   760 spectrum    1 weight  0.11000E+01 volume  0.57357E-03 ppm1      3.158 ppm2      2.929 CV     1
 ASSI {  761}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.100     3.100     2.900 peak   761 spectrum    1 weight  0.11000E+01 volume  0.13846E-02 ppm1      3.162 ppm2      0.665 CV     1
 ASSI {  762}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      3.700     3.700     2.300 peak   762 spectrum    1 weight  0.11000E+01 volume  0.87597E-03 ppm1      3.156 ppm2      0.216 CV     1
 ASSI {  763}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak   763 spectrum    1 weight  0.11000E+01 volume  0.38195E-03 ppm1      3.160 ppm2     -0.115 CV     1
 ASSI {  765}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 25   and name HG1%)
      3.100     1.200     1.200 peak   765 spectrum    1 weight  0.11000E+01 volume  0.13767E-02 ppm1      3.978 ppm2      0.780 CV     1
 ASSI {  770}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   770 spectrum    1 weight  0.11000E+01 volume  0.31171E-02 ppm1      3.268 ppm2      4.271 CV     1
 ASSI {  771}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak   771 spectrum    1 weight  0.11000E+01 volume  0.43808E-02 ppm1      3.268 ppm2      1.989 CV     1
 ASSI {  777}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 66   and name HA  ))
      2.200     0.600     0.600 peak   777 spectrum    1 weight  0.11000E+01 volume  0.99252E-02 ppm1      1.190 ppm2      4.241 CV     1
 ASSI {  780}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
      2.400     0.700     0.700 peak   780 spectrum    1 weight  0.11000E+01 volume  0.32177E-02 ppm1      4.247 ppm2      3.067 CV     1
 ASSI {  781}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      2.800     1.000     1.000 peak   781 spectrum    1 weight  0.11000E+01 volume  0.37643E-02 ppm1      4.248 ppm2      2.092 CV     1
 ASSI {  784}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 67   and name HD1 ))
      3.100     1.200     1.200 peak   784 spectrum    1 weight  0.11000E+01 volume  0.67666E-02 ppm1      1.189 ppm2      3.078 CV     1
 ASSI {  785}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 67   and name HD2 ))
      2.600     0.800     0.800 peak   785 spectrum    1 weight  0.11000E+01 volume  0.50073E-02 ppm1      1.185 ppm2      2.088 CV     1
 ASSI {  786}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HD2 ))
      2.900     1.000     1.000 peak   786 spectrum    1 weight  0.11000E+01 volume  0.54206E-03 ppm1      3.062 ppm2      3.774 CV     1
 ASSI {  787}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      4.600     2.600     1.400 peak   787 spectrum    1 weight  0.11000E+01 volume  0.64328E-03 ppm1      3.057 ppm2      3.536 CV     1
 ASSI {  793}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 82   and name HD% )
      4.800     4.800     1.200 peak   793 spectrum    1 weight  0.11000E+01 volume  0.53505E-03 ppm1     -0.004 ppm2      7.060 CV     1
 ASSI {  795}
   (  segid "    " and resid 79   and name HG2%)
   (  segid "    " and resid 24   and name HE% )
      3.300     1.400     1.400 peak   795 spectrum    1 weight  0.11000E+01 volume  0.77825E-03 ppm1      1.024 ppm2      6.612 CV     1
 ASSI {  799}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 24   and name HB1 ))
      3.900     1.900     1.900 peak   799 spectrum    1 weight  0.11000E+01 volume  0.74991E-03 ppm1      0.424 ppm2      3.102 CV     1
 ASSI {  804}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      3.000     1.200     1.200 peak   804 spectrum    1 weight  0.11000E+01 volume  0.22587E-02 ppm1      3.655 ppm2      0.860 CV     1
 ASSI {  813}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HG11))
      2.300     0.700     0.700 peak   813 spectrum    1 weight  0.11000E+01 volume  0.28169E-02 ppm1      2.036 ppm2      1.580 CV     1
 ASSI {  814}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HG12))
      3.000     1.100     1.100 peak   814 spectrum    1 weight  0.11000E+01 volume  0.19553E-02 ppm1      2.026 ppm2      1.180 CV     1
 ASSI {  815}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG2%)
      2.400     0.700     0.700 peak   815 spectrum    1 weight  0.11000E+01 volume  0.59009E-02 ppm1      2.037 ppm2      0.877 CV     1
 ASSI {  816}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HD1%)
      2.900     1.000     1.000 peak   816 spectrum    1 weight  0.11000E+01 volume  0.29093E-02 ppm1      2.036 ppm2      0.728 CV     1
 ASSI {  819}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 50   and name HD1%)
      3.600     1.600     1.600 peak   819 spectrum    1 weight  0.11000E+01 volume  0.37400E-03 ppm1      1.981 ppm2      0.442 CV     1
 ASSI {  824}
   (( segid "    " and resid 83   and name HG11))
   (  segid "    " and resid 50   and name HG2%)
      4.200     4.200     1.800 peak   824 spectrum    1 weight  0.11000E+01 volume  0.95999E-03 ppm1      2.096 ppm2      0.655 CV     1
 ASSI {  830}
   (( segid "    " and resid 83   and name HG12))
   (  segid "    " and resid 83   and name HD1%)
      2.700     0.900     0.900 peak   830 spectrum    1 weight  0.11000E+01 volume  0.20890E-02 ppm1      0.962 ppm2      0.759 CV     1
 ASSI {  831}
   (( segid "    " and resid 83   and name HG12))
   (  segid "    " and resid 50   and name HG2%)
      3.900     3.900     2.100 peak   831 spectrum    1 weight  0.11000E+01 volume  0.98420E-03 ppm1      0.967 ppm2      0.654 CV     1
 ASSI {  833}
   (( segid "    " and resid 83   and name HG12))
   (  segid "    " and resid 83   and name HG2%)
      2.500     0.800     0.800 peak   833 spectrum    1 weight  0.11000E+01 volume  0.35821E-02 ppm1      0.969 ppm2      0.903 CV     1
 ASSI {  835}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      3.500     1.600     1.600 peak   835 spectrum    1 weight  0.11000E+01 volume  0.19305E-02 ppm1      1.732 ppm2      3.910 CV     1
 ASSI {  837}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 83   and name HG11))
      3.900     1.900     1.900 peak   837 spectrum    1 weight  0.11000E+01 volume  0.10762E-02 ppm1      0.461 ppm2      2.082 CV     1
 ASSI {  838}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
      4.100     4.100     1.900 peak   838 spectrum    1 weight  0.11000E+01 volume  0.11252E-02 ppm1      0.454 ppm2      2.747 CV     1
 ASSI {  842}
   (( segid "    " and resid 92   and name HB1 ))
   (  segid "    " and resid 92   and name HD2%)
      2.800     1.000     1.000 peak   842 spectrum    1 weight  0.11000E+01 volume  0.30229E-02 ppm1      1.711 ppm2      0.781 CV     1
 ASSI {  843}
   (( segid "    " and resid 92   and name HB2 ))
   (  segid "    " and resid 92   and name HD2%)
      3.000     1.100     1.100 peak   843 spectrum    1 weight  0.11000E+01 volume  0.31123E-02 ppm1      1.620 ppm2      0.787 CV     1
 ASSI {  844}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 87   and name HE% )
      5.100     3.200     0.900 peak   844 spectrum    1 weight  0.11000E+01 volume  0.38258E-03 ppm1      3.063 ppm2      1.535 CV     1
 ASSI {  845}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 87   and name HE% )
      5.400     3.700     0.600 peak   845 spectrum    1 weight  0.11000E+01 volume  0.21008E-03 ppm1      2.703 ppm2      1.534 CV     1
 ASSI {  846}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HD2 ))
      5.000     3.100     1.000 peak   846 spectrum    1 weight  0.11000E+01 volume  0.51819E-03 ppm1      2.702 ppm2      3.774 CV     1
 ASSI {  849}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HD1 ))
      4.600     2.700     1.400 peak   849 spectrum    1 weight  0.11000E+01 volume  0.34631E-03 ppm1      3.059 ppm2      4.006 CV     1
 ASSI {  851}
   (( segid "    " and resid 37   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   851 spectrum    1 weight  0.11000E+01 volume  0.35220E-02 ppm1      2.259 ppm2      4.251 CV     1
 ASSI {  853}
   (( segid "    " and resid 37   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak   853 spectrum    1 weight  0.11000E+01 volume  0.23344E-02 ppm1      2.142 ppm2      4.246 CV     1
 ASSI {  855}
   (( segid "    " and resid 37   and name HG1 ))
   (( segid "    " and resid 37   and name HB1 ))
      2.600     0.900     0.900 peak   855 spectrum    1 weight  0.11000E+01 volume  0.41842E-02 ppm1      2.256 ppm2      1.828 CV     1
 OR {  855}
   (( segid "    " and resid 37   and name HG1 ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  856}
   (( segid "    " and resid 37   and name HG2 ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600     0.900     0.900 peak   856 spectrum    1 weight  0.11000E+01 volume  0.52673E-02 ppm1      2.138 ppm2      1.840 CV     1
 OR {  856}
   (( segid "    " and resid 37   and name HG2 ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  857}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   857 spectrum    1 weight  0.11000E+01 volume  0.16618E-02 ppm1      1.818 ppm2      4.234 CV     1
 OR {  857}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  859}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HA  ))
      2.500     0.800     0.800 peak   859 spectrum    1 weight  0.11000E+01 volume  0.88466E-02 ppm1      2.005 ppm2      4.138 CV     1
 ASSI {  860}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 96   and name HB1 ))
      3.000     1.100     1.100 peak   860 spectrum    1 weight  0.11000E+01 volume  0.25340E-02 ppm1      2.434 ppm2      2.006 CV     1
 ASSI {  861}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HB1 ))
      2.600     0.900     0.900 peak   861 spectrum    1 weight  0.11000E+01 volume  0.39217E-02 ppm1      2.302 ppm2      2.006 CV     1
 ASSI {  862}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 96   and name HA  ))
      3.100     1.200     1.200 peak   862 spectrum    1 weight  0.11000E+01 volume  0.19731E-02 ppm1      2.434 ppm2      4.141 CV     1
 ASSI {  864}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG2 ))
      3.000     1.100     1.100 peak   864 spectrum    1 weight  0.11000E+01 volume  0.34361E-02 ppm1      4.134 ppm2      2.311 CV     1
 ASSI {  866}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.900     0.900 peak   866 spectrum    1 weight  0.11000E+01 volume  0.50375E-02 ppm1      3.915 ppm2      2.195 CV     1
 OR {  866}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  867}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      2.900     1.000     1.000 peak   867 spectrum    1 weight  0.11000E+01 volume  0.30162E-02 ppm1      3.917 ppm2      2.446 CV     1
 OR {  867}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
 ASSI {  868}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG1 ))
      2.400     0.700     0.700 peak   868 spectrum    1 weight  0.11000E+01 volume  0.80783E-02 ppm1      2.200 ppm2      2.444 CV     1
 OR {  868}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG2 ))
 OR {  868}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG1 ))
 OR {  868}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  876}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      4.500     4.500     1.500 peak   876 spectrum    1 weight  0.11000E+01 volume  0.91893E-03 ppm1      4.081 ppm2      0.772 CV     1
 ASSI {  882}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HG2 ))
      3.300     1.300     1.300 peak   882 spectrum    1 weight  0.11000E+01 volume  0.18111E-02 ppm1      1.889 ppm2      2.471 CV     1
 ASSI {  887}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HB2 ))
      2.000     0.500     0.500 peak   887 spectrum    1 weight  0.11000E+01 volume  0.65178E-02 ppm1      2.128 ppm2      1.883 CV     1
 ASSI {  892}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HG2 ))
      1.800     0.400     0.400 peak   892 spectrum    1 weight  0.11000E+01 volume  0.87257E-02 ppm1      2.680 ppm2      2.471 CV     1
 ASSI {  895}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 29   and name HG2%)
      3.800     3.800     2.200 peak   895 spectrum    1 weight  0.11000E+01 volume  0.19594E-02 ppm1      2.680 ppm2      0.760 CV     1
 ASSI {  896}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 29   and name HG2%)
      3.500     3.500     2.500 peak   896 spectrum    1 weight  0.11000E+01 volume  0.14024E-02 ppm1      2.488 ppm2      0.759 CV     1
 ASSI {  898}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 87   and name HE% )
      3.100     1.200     1.200 peak   898 spectrum    1 weight  0.11000E+01 volume  0.10100E-02 ppm1      2.486 ppm2      1.521 CV     1
 ASSI {  900}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB1 ))
      2.500     0.800     0.800 peak   900 spectrum    1 weight  0.11000E+01 volume  0.27466E-02 ppm1      2.483 ppm2      2.124 CV     1
 ASSI {  901}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB2 ))
      2.900     1.000     1.000 peak   901 spectrum    1 weight  0.11000E+01 volume  0.16937E-02 ppm1      2.678 ppm2      1.884 CV     1
 ASSI {  903}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HA  ))
      3.400     1.500     1.500 peak   903 spectrum    1 weight  0.11000E+01 volume  0.17347E-02 ppm1      2.059 ppm2      4.001 CV     1
 ASSI {  904}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HA  ))
      2.900     1.000     1.000 peak   904 spectrum    1 weight  0.11000E+01 volume  0.32253E-02 ppm1      2.238 ppm2      3.990 CV     1
 ASSI {  906}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     2.700     3.300 peak   906 spectrum    1 weight  0.11000E+01 volume  0.37635E-02 ppm1      2.029 ppm2      4.012 CV     1
 OR {  906}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  907}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak   907 spectrum    1 weight  0.11000E+01 volume  0.54720E-02 ppm1      4.393 ppm2      2.902 CV     1
 ASSI {  911}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      2.100     0.500     0.500 peak   911 spectrum    1 weight  0.11000E+01 volume  0.62344E-02 ppm1      3.122 ppm2      2.849 CV     1
 ASSI {  914}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
      1.800     0.400     0.400 peak   914 spectrum    1 weight  0.11000E+01 volume  0.14934E-01 ppm1      2.922 ppm2      2.797 CV     1
 ASSI {  917}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   917 spectrum    1 weight  0.11000E+01 volume  0.56082E-02 ppm1      2.808 ppm2      4.375 CV     1
 ASSI {  918}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.800     1.000     1.000 peak   918 spectrum    1 weight  0.11000E+01 volume  0.29726E-02 ppm1      4.552 ppm2      2.183 CV     1
 ASSI {  919}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 81   and name HA  ))
      2.800     1.000     1.000 peak   919 spectrum    1 weight  0.11000E+01 volume  0.20171E-02 ppm1      2.911 ppm2      3.994 CV     1
 ASSI {  922}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HD1 ))
      4.700     2.800     1.300 peak   922 spectrum    1 weight  0.11000E+01 volume  0.46664E-03 ppm1      3.683 ppm2      3.187 CV     1
 ASSI {  923}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HD2 ))
      4.600     2.700     1.400 peak   923 spectrum    1 weight  0.11000E+01 volume  0.51088E-03 ppm1      3.686 ppm2      3.101 CV     1
 ASSI {  931}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 35   and name HB2 ))
      2.600     2.600     3.400 peak   931 spectrum    1 weight  0.11000E+01 volume  0.11198E-02 ppm1      1.532 ppm2      3.789 CV     1
 ASSI {  933}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HG2 ))
      3.500     1.500     1.500 peak   933 spectrum    1 weight  0.11000E+01 volume  0.12133E-02 ppm1      1.595 ppm2      1.359 CV     1
 ASSI {  934}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HD2 ))
      3.400     1.500     1.500 peak   934 spectrum    1 weight  0.11000E+01 volume  0.11000E-02 ppm1      1.930 ppm2      3.103 CV     1
 ASSI {  935}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HD2 ))
      3.200     1.200     1.200 peak   935 spectrum    1 weight  0.11000E+01 volume  0.11981E-02 ppm1      1.596 ppm2      3.101 CV     1
 ASSI {  937}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HD1 ))
      2.700     0.900     0.900 peak   937 spectrum    1 weight  0.11000E+01 volume  0.23245E-02 ppm1      1.922 ppm2      3.176 CV     1
 ASSI {  938}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HG1 ))
      3.000     1.100     1.100 peak   938 spectrum    1 weight  0.11000E+01 volume  0.10609E-02 ppm1      1.600 ppm2      1.547 CV     1
 ASSI {  941}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   941 spectrum    1 weight  0.11000E+01 volume  0.17535E-02 ppm1      1.542 ppm2      3.670 CV     1
 ASSI {  942}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.200     1.200 peak   942 spectrum    1 weight  0.11000E+01 volume  0.22189E-02 ppm1      1.386 ppm2      3.659 CV     1
 ASSI {  944}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.700     0.900     0.900 peak   944 spectrum    1 weight  0.11000E+01 volume  0.41283E-02 ppm1      3.156 ppm2      1.587 CV     1
 ASSI {  945}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HG2 ))
      2.800     1.000     1.000 peak   945 spectrum    1 weight  0.11000E+01 volume  0.21638E-02 ppm1      3.162 ppm2      1.375 CV     1
 ASSI {  946}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HG1 ))
      3.100     3.100     2.900 peak   946 spectrum    1 weight  0.11000E+01 volume  0.19891E-02 ppm1      3.162 ppm2      1.522 CV     1
 ASSI {  947}
   (( segid "    " and resid 76   and name HD1 ))
   (  segid "    " and resid 71   and name HD2%)
      4.900     4.900     1.100 peak   947 spectrum    1 weight  0.11000E+01 volume  0.41984E-03 ppm1      3.160 ppm2      0.421 CV     1
 ASSI {  949}
   (( segid "    " and resid 76   and name HD1 ))
   (( segid "    " and resid 76   and name HA  ))
      4.400     2.400     1.600 peak   949 spectrum    1 weight  0.11000E+01 volume  0.73115E-03 ppm1      3.158 ppm2      3.669 CV     1
 OR {  949}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  952}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HD2 ))
      2.800     1.000     1.000 peak   952 spectrum    1 weight  0.11000E+01 volume  0.16962E-02 ppm1      1.543 ppm2      3.092 CV     1
 ASSI {  954}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HD2 ))
      3.200     1.300     1.300 peak   954 spectrum    1 weight  0.11000E+01 volume  0.15960E-02 ppm1      1.386 ppm2      3.092 CV     1
 ASSI {  955}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HG2 ))
      2.000     0.500     0.500 peak   955 spectrum    1 weight  0.11000E+01 volume  0.53993E-02 ppm1      1.542 ppm2      1.382 CV     1
 ASSI {  962}
   (( segid "    " and resid 76   and name HG2 ))
   (  segid "    " and resid 71   and name HD1%)
      4.300     2.300     1.700 peak   962 spectrum    1 weight  0.11000E+01 volume  0.10962E-02 ppm1      1.387 ppm2      0.023 CV     1
 ASSI {  966}
   (( segid "    " and resid 76   and name HG1 ))
   (  segid "    " and resid 28   and name HD2%)
      3.100     3.100     2.900 peak   966 spectrum    1 weight  0.11000E+01 volume  0.39627E-03 ppm1      1.548 ppm2      0.976 CV     1
 ASSI {  968}
   (( segid "    " and resid 76   and name HG2 ))
   (  segid "    " and resid 28   and name HD2%)
      2.900     2.900     3.100 peak   968 spectrum    1 weight  0.11000E+01 volume  0.58789E-03 ppm1      1.387 ppm2      0.975 CV     1
 ASSI {  974}
   (( segid "    " and resid 76   and name HB1 ))
   (  segid "    " and resid 71   and name HD1%)
      4.900     2.900     1.100 peak   974 spectrum    1 weight  0.11000E+01 volume  0.61303E-03 ppm1      1.926 ppm2      0.031 CV     1
 ASSI {  975}
   (( segid "    " and resid 76   and name HB2 ))
   (  segid "    " and resid 71   and name HD1%)
      3.100     1.200     1.200 peak   975 spectrum    1 weight  0.11000E+01 volume  0.10138E-02 ppm1      1.597 ppm2      0.036 CV     1
 ASSI {  976}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 76   and name HG2 ))
      3.800     1.800     1.800 peak   976 spectrum    1 weight  0.11000E+01 volume  0.23446E-02 ppm1      0.424 ppm2      1.370 CV     1
 ASSI {  977}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 76   and name HG1 ))
      3.500     1.600     1.600 peak   977 spectrum    1 weight  0.11000E+01 volume  0.13432E-02 ppm1      0.422 ppm2      1.546 CV     1
 ASSI {  980}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 76   and name HG1 ))
      3.000     1.100     1.100 peak   980 spectrum    1 weight  0.11000E+01 volume  0.17446E-02 ppm1      0.044 ppm2      1.559 CV     1
 ASSI {  984}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak   984 spectrum    1 weight  0.11000E+01 volume  0.27698E-02 ppm1      2.496 ppm2      1.913 CV     1
 ASSI {  985}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak   985 spectrum    1 weight  0.11000E+01 volume  0.28777E-02 ppm1      2.244 ppm2      1.916 CV     1
 ASSI {  986}
   (( segid "    " and resid 34   and name HG1 ))
   (  segid "    " and resid 43   and name HD1%)
      4.400     4.400     1.600 peak   986 spectrum    1 weight  0.11000E+01 volume  0.76359E-03 ppm1      2.498 ppm2      0.745 CV     1
 ASSI {  987}
   (( segid "    " and resid 34   and name HG2 ))
   (  segid "    " and resid 43   and name HD1%)
      4.800     4.800     1.200 peak   987 spectrum    1 weight  0.11000E+01 volume  0.63149E-03 ppm1      2.243 ppm2      0.752 CV     1
 ASSI {  990}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.000     1.000 peak   990 spectrum    1 weight  0.11000E+01 volume  0.28163E-02 ppm1      2.497 ppm2      2.135 CV     1
 ASSI {  999}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak   999 spectrum    1 weight  0.11000E+01 volume  0.32982E-02 ppm1      4.367 ppm2      1.901 CV     1
 ASSI { 1001}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.000     1.100     1.100 peak  1001 spectrum    1 weight  0.11000E+01 volume  0.39668E-02 ppm1      4.370 ppm2      2.252 CV     1
 ASSI { 1002}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.11000E+01 volume  0.20371E-02 ppm1      4.370 ppm2      2.483 CV     1
 ASSI { 1012}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
      2.100     0.500     0.500 peak  1012 spectrum    1 weight  0.11000E+01 volume  0.64160E-02 ppm1      1.144 ppm2      4.380 CV     1
 ASSI { 1018}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
      3.300     1.400     1.400 peak  1018 spectrum    1 weight  0.11000E+01 volume  0.11083E-02 ppm1      4.142 ppm2      0.668 CV     1
 ASSI { 1024}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 87   and name HE% )
      4.300     4.300     1.700 peak  1024 spectrum    1 weight  0.11000E+01 volume  0.93993E-03 ppm1      4.133 ppm2      1.538 CV     1
 ASSI { 1031}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1031 spectrum    1 weight  0.11000E+01 volume  0.52721E-02 ppm1      2.418 ppm2      4.171 CV     1
 OR { 1031}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1032}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.300     0.700     0.700 peak  1032 spectrum    1 weight  0.11000E+01 volume  0.11309E-01 ppm1      2.414 ppm2      2.109 CV     1
 OR { 1032}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB1 ))
 OR { 1032}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HB1 ))
 OR { 1032}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1035}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.200     0.600     0.600 peak  1035 spectrum    1 weight  0.11000E+01 volume  0.13254E-01 ppm1      4.194 ppm2      2.104 CV     1
 OR { 1035}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1036}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.100     1.200     1.200 peak  1036 spectrum    1 weight  0.11000E+01 volume  0.20982E-02 ppm1      4.195 ppm2      2.341 CV     1
 OR { 1036}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 1037}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 43   and name HB  ))
      4.300     2.300     1.700 peak  1037 spectrum    1 weight  0.11000E+01 volume  0.63022E-03 ppm1      3.195 ppm2      2.027 CV     1
 ASSI { 1038}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 43   and name HB  ))
      5.300     3.500     0.700 peak  1038 spectrum    1 weight  0.11000E+01 volume  0.73749E-03 ppm1      3.040 ppm2      2.035 CV     1
 ASSI { 1039}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      3.700     1.700     1.700 peak  1039 spectrum    1 weight  0.11000E+01 volume  0.12503E-02 ppm1      4.299 ppm2      0.955 CV     1
 ASSI { 1040}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 13   and name HD2%)
      4.100     2.100     1.900 peak  1040 spectrum    1 weight  0.11000E+01 volume  0.90685E-03 ppm1      4.300 ppm2      0.873 CV     1
 ASSI { 1041}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 13   and name HD2%)
      4.200     4.200     1.800 peak  1041 spectrum    1 weight  0.11000E+01 volume  0.72287E-03 ppm1      3.922 ppm2      0.880 CV     1
 ASSI { 1043}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 13   and name HB1 ))
      4.300     2.300     1.700 peak  1043 spectrum    1 weight  0.11000E+01 volume  0.66651E-03 ppm1      3.916 ppm2      1.867 CV     1
 ASSI { 1045}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak  1045 spectrum    1 weight  0.11000E+01 volume  0.86724E-02 ppm1      2.088 ppm2      4.182 CV     1
 ASSI { 1047}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.900     1.100     1.100 peak  1047 spectrum    1 weight  0.11000E+01 volume  0.46083E-02 ppm1      2.347 ppm2      2.080 CV     1
 ASSI { 1049}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1049 spectrum    1 weight  0.11000E+01 volume  0.21158E-02 ppm1      2.350 ppm2      4.189 CV     1
 ASSI { 1050}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak  1050 spectrum    1 weight  0.11000E+01 volume  0.36639E-02 ppm1      4.195 ppm2      2.048 CV     1
 OR { 1050}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1053}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
      3.100     3.100     2.900 peak  1053 spectrum    1 weight  0.11000E+01 volume  0.39373E-03 ppm1      3.981 ppm2      1.355 CV     1
 ASSI { 1056}
   (  segid "    " and resid 25   and name HG2%)
   (  segid "    " and resid 54   and name HD1%)
      3.100     3.100     2.900 peak  1056 spectrum    1 weight  0.11000E+01 volume  0.30121E-02 ppm1      0.686 ppm2      0.200 CV     1
 ASSI { 1059}
   (  segid "    " and resid 25   and name HG2%)
   (  segid "    " and resid 28   and name HD2%)
      3.000     3.000     3.000 peak  1059 spectrum    1 weight  0.11000E+01 volume  0.45631E-02 ppm1      0.685 ppm2      1.005 CV     1
 ASSI { 1060}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 25   and name HB  ))
      2.400     0.700     0.700 peak  1060 spectrum    1 weight  0.11000E+01 volume  0.41805E-02 ppm1      0.685 ppm2      1.857 CV     1
 ASSI { 1062}
   (  segid "    " and resid 25   and name HG1%)
   (  segid "    " and resid 54   and name HD1%)
      4.600     4.600     1.400 peak  1062 spectrum    1 weight  0.11000E+01 volume  0.64995E-03 ppm1      0.773 ppm2      0.199 CV     1
 ASSI { 1063}
   (  segid "    " and resid 25   and name HG1%)
   (  segid "    " and resid 50   and name HD1%)
      3.400     3.400     2.600 peak  1063 spectrum    1 weight  0.11000E+01 volume  0.20521E-02 ppm1      0.770 ppm2      0.443 CV     1
 ASSI { 1064}
   (  segid "    " and resid 25   and name HG1%)
   (( segid "    " and resid 28   and name HB2 ))
      2.800     2.800     3.200 peak  1064 spectrum    1 weight  0.11000E+01 volume  0.39496E-02 ppm1      0.763 ppm2      1.339 CV     1
 ASSI { 1067}
   (  segid "    " and resid 25   and name HG1%)
   (( segid "    " and resid 25   and name HB  ))
      2.300     0.600     0.600 peak  1067 spectrum    1 weight  0.11000E+01 volume  0.53911E-02 ppm1      0.766 ppm2      1.858 CV     1
 ASSI { 1070}
   (  segid "    " and resid 25   and name HG1%)
   (( segid "    " and resid 26   and name HD2 ))
      3.900     1.900     1.900 peak  1070 spectrum    1 weight  0.11000E+01 volume  0.17392E-02 ppm1      0.771 ppm2      3.322 CV     1
 ASSI { 1071}
   (  segid "    " and resid 25   and name HG1%)
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.800     0.800 peak  1071 spectrum    1 weight  0.11000E+01 volume  0.45337E-02 ppm1      0.770 ppm2      3.581 CV     1
 ASSI { 1072}
   (  segid "    " and resid 25   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
      4.100     2.100     1.900 peak  1072 spectrum    1 weight  0.11000E+01 volume  0.75755E-03 ppm1      0.771 ppm2      3.767 CV     1
 ASSI { 1078}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.500     1.500     1.500 peak  1078 spectrum    1 weight  0.11000E+01 volume  0.16707E-02 ppm1      3.592 ppm2      2.056 CV     1
 OR { 1078}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1089}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      3.400     3.400     2.600 peak  1089 spectrum    1 weight  0.11000E+01 volume  0.16898E-02 ppm1      3.654 ppm2      0.796 CV     1
 ASSI { 1091}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.100     1.200     1.200 peak  1091 spectrum    1 weight  0.11000E+01 volume  0.15527E-02 ppm1      3.649 ppm2      1.625 CV     1
 ASSI { 1093}
   (( segid "    " and resid 25   and name HB  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.500     1.500     1.500 peak  1093 spectrum    1 weight  0.11000E+01 volume  0.19372E-02 ppm1      1.854 ppm2      3.312 CV     1
 ASSI { 1099}
   (( segid "    " and resid 57   and name HD1 ))
   (  segid "    " and resid 54   and name HD2%)
      2.400     2.400     3.600 peak  1099 spectrum    1 weight  0.11000E+01 volume  0.18308E-02 ppm1      1.353 ppm2     -0.011 CV     1
 ASSI { 1104}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB1 ))
      3.700     1.700     1.700 peak  1104 spectrum    1 weight  0.11000E+01 volume  0.97208E-03 ppm1      0.881 ppm2      1.018 CV     1
 ASSI { 1109}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HG1 ))
      2.400     0.700     0.700 peak  1109 spectrum    1 weight  0.11000E+01 volume  0.23334E-02 ppm1      0.878 ppm2      1.672 CV     1
 ASSI { 1112}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 55   and name HG2%)
      2.900     2.900     3.100 peak  1112 spectrum    1 weight  0.11000E+01 volume  0.20645E-02 ppm1      2.163 ppm2      1.347 CV     1
 ASSI { 1117}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      4.000     2.000     2.000 peak  1117 spectrum    1 weight  0.11000E+01 volume  0.61687E-03 ppm1      2.799 ppm2      3.063 CV     1
 ASSI { 1119}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
      4.000     2.000     2.000 peak  1119 spectrum    1 weight  0.11000E+01 volume  0.40168E-03 ppm1      2.791 ppm2      2.084 CV     1
 ASSI { 1121}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
      3.900     1.900     1.900 peak  1121 spectrum    1 weight  0.11000E+01 volume  0.53251E-03 ppm1      2.794 ppm2      1.095 CV     1
 ASSI { 1122}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.900     1.900     1.900 peak  1122 spectrum    1 weight  0.11000E+01 volume  0.70441E-03 ppm1      2.528 ppm2      0.180 CV     1
 ASSI { 1123}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.400     1.500     1.500 peak  1123 spectrum    1 weight  0.11000E+01 volume  0.53538E-03 ppm1      2.795 ppm2      0.177 CV     1
 ASSI { 1124}
   (( segid "    " and resid 26   and name HD1 ))
   (  segid "    " and resid 25   and name HG2%)
      4.800     2.900     1.200 peak  1124 spectrum    1 weight  0.11000E+01 volume  0.49812E-03 ppm1      3.570 ppm2      0.667 CV     1
 ASSI { 1125}
   (( segid "    " and resid 26   and name HD1 ))
   (  segid "    " and resid 25   and name HG1%)
      3.400     1.400     1.400 peak  1125 spectrum    1 weight  0.11000E+01 volume  0.77221E-03 ppm1      3.573 ppm2      0.756 CV     1
 ASSI { 1127}
   (( segid "    " and resid 26   and name HD1 ))
   (  segid "    " and resid 47   and name HB% )
      4.200     2.300     1.800 peak  1127 spectrum    1 weight  0.11000E+01 volume  0.41506E-03 ppm1      3.569 ppm2      1.326 CV     1
 ASSI { 1134}
   (( segid "    " and resid 26   and name HD2 ))
   (  segid "    " and resid 51   and name HG2%)
      2.900     2.900     3.100 peak  1134 spectrum    1 weight  0.11000E+01 volume  0.60095E-03 ppm1      3.340 ppm2      0.894 CV     1
 ASSI { 1135}
   (( segid "    " and resid 26   and name HD2 ))
   (  segid "    " and resid 47   and name HB% )
      4.800     4.800     1.200 peak  1135 spectrum    1 weight  0.11000E+01 volume  0.53952E-03 ppm1      3.345 ppm2      1.325 CV     1
 ASSI { 1140}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak  1140 spectrum    1 weight  0.11000E+01 volume  0.14225E-02 ppm1      4.388 ppm2      2.856 CV     1
 ASSI { 1147}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG1 ))
      2.900     1.000     1.000 peak  1147 spectrum    1 weight  0.11000E+01 volume  0.30662E-02 ppm1      4.289 ppm2      1.813 CV     1
 ASSI { 1148}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
      3.400     1.500     1.500 peak  1148 spectrum    1 weight  0.11000E+01 volume  0.10364E-02 ppm1      4.397 ppm2      1.344 CV     1
 ASSI { 1149}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG1 ))
      4.100     2.100     1.900 peak  1149 spectrum    1 weight  0.11000E+01 volume  0.42875E-03 ppm1      4.398 ppm2      1.447 CV     1
 ASSI { 1155}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 51   and name HB  ))
      5.300     3.600     0.700 peak  1155 spectrum    1 weight  0.11000E+01 volume  0.51088E-03 ppm1      4.397 ppm2      2.151 CV     1
 ASSI { 1156}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      2.600     0.800     0.800 peak  1156 spectrum    1 weight  0.11000E+01 volume  0.58383E-02 ppm1      4.366 ppm2      2.825 CV     1
 ASSI { 1167}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.900     1.000     1.000 peak  1167 spectrum    1 weight  0.11000E+01 volume  0.33870E-02 ppm1      4.288 ppm2      1.980 CV     1
 ASSI { 1169}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak  1169 spectrum    1 weight  0.11000E+01 volume  0.58759E-02 ppm1      4.399 ppm2      1.805 CV     1
 ASSI { 1176}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 50   and name HD1%)
      3.100     3.100     2.900 peak  1176 spectrum    1 weight  0.11000E+01 volume  0.39056E-03 ppm1      2.269 ppm2      0.445 CV     1
 ASSI { 1179}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     3.300     2.700 peak  1179 spectrum    1 weight  0.11000E+01 volume  0.14276E-02 ppm1      1.659 ppm2      3.252 CV     1
 ASSI { 1181}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 47   and name HA  ))
      3.700     1.700     1.700 peak  1181 spectrum    1 weight  0.11000E+01 volume  0.12436E-02 ppm1      1.591 ppm2      3.616 CV     1
 ASSI { 1182}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 25   and name HG1%)
      4.000     2.000     2.000 peak  1182 spectrum    1 weight  0.11000E+01 volume  0.16462E-02 ppm1      1.594 ppm2      0.758 CV     1
 ASSI { 1186}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HG2 ))
      2.600     0.900     0.900 peak  1186 spectrum    1 weight  0.11000E+01 volume  0.17535E-02 ppm1      1.764 ppm2      1.583 CV     1
 ASSI { 1200}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HD2 ))
      2.100     0.500     0.500 peak  1200 spectrum    1 weight  0.11000E+01 volume  0.48443E-02 ppm1      3.074 ppm2      2.083 CV     1
 ASSI { 1204}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
      4.200     2.300     1.800 peak  1204 spectrum    1 weight  0.11000E+01 volume  0.44751E-03 ppm1      2.091 ppm2      2.519 CV     1
 ASSI { 1205}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.900     1.900     1.900 peak  1205 spectrum    1 weight  0.11000E+01 volume  0.51118E-03 ppm1      3.074 ppm2      2.519 CV     1
 ASSI { 1210}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 13   and name HD1%)
      3.900     3.900     2.100 peak  1210 spectrum    1 weight  0.11000E+01 volume  0.43640E-03 ppm1      3.075 ppm2      0.949 CV     1
 ASSI { 1211}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 13   and name HD2%)
      3.700     1.700     1.700 peak  1211 spectrum    1 weight  0.11000E+01 volume  0.47395E-03 ppm1      3.067 ppm2      0.881 CV     1
 ASSI { 1212}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
      4.200     2.200     1.800 peak  1212 spectrum    1 weight  0.11000E+01 volume  0.52072E-03 ppm1      3.078 ppm2      0.622 CV     1
 ASSI { 1213}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.500     1.500     1.500 peak  1213 spectrum    1 weight  0.11000E+01 volume  0.11214E-02 ppm1      3.073 ppm2      0.180 CV     1
 ASSI { 1214}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
      4.800     2.900     1.200 peak  1214 spectrum    1 weight  0.11000E+01 volume  0.38769E-03 ppm1      3.079 ppm2     -0.027 CV     1
 ASSI { 1216}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.900     1.000     1.000 peak  1216 spectrum    1 weight  0.11000E+01 volume  0.12926E-02 ppm1      2.096 ppm2      0.180 CV     1
 ASSI { 1217}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB1 ))
      4.700     2.700     1.300 peak  1217 spectrum    1 weight  0.11000E+01 volume  0.43065E-03 ppm1      2.098 ppm2      0.626 CV     1
 ASSI { 1228}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB1 ))
      2.800     2.800     3.200 peak  1228 spectrum    1 weight  0.11000E+01 volume  0.25916E-02 ppm1      3.727 ppm2      1.044 CV     1
 ASSI { 1229}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG2 ))
      3.500     1.500     1.500 peak  1229 spectrum    1 weight  0.11000E+01 volume  0.11822E-02 ppm1      3.726 ppm2      0.859 CV     1
 ASSI { 1238}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.300     0.700     0.700 peak  1238 spectrum    1 weight  0.11000E+01 volume  0.21202E-02 ppm1      3.188 ppm2      2.918 CV     1
 ASSI { 1240}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      4.300     2.300     1.700 peak  1240 spectrum    1 weight  0.11000E+01 volume  0.34631E-03 ppm1      2.925 ppm2      0.629 CV     1
 ASSI { 1243}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      2.900     2.900     3.100 peak  1243 spectrum    1 weight  0.11000E+01 volume  0.58249E-03 ppm1      3.212 ppm2     -0.011 CV     1
 ASSI { 1244}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      5.000     3.100     1.000 peak  1244 spectrum    1 weight  0.11000E+01 volume  0.21644E-03 ppm1      3.140 ppm2      0.193 CV     1
 ASSI { 1250}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak  1250 spectrum    1 weight  0.11000E+01 volume  0.39205E-02 ppm1      3.795 ppm2      1.917 CV     1
 ASSI { 1253}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD% )
      3.200     1.300     1.300 peak  1253 spectrum    1 weight  0.11000E+01 volume  0.62579E-03 ppm1      4.135 ppm2      7.513 CV     1
 ASSI { 1260}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 51   and name HG1%)
      2.900     2.900     3.100 peak  1260 spectrum    1 weight  0.11000E+01 volume  0.11675E-02 ppm1      2.937 ppm2      1.131 CV     1
 ASSI { 1262}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 25   and name HG2%)
      4.700     2.700     1.300 peak  1262 spectrum    1 weight  0.11000E+01 volume  0.74420E-03 ppm1      2.937 ppm2      0.679 CV     1
 ASSI { 1269}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB  ))
      3.100     1.200     1.200 peak  1269 spectrum    1 weight  0.11000E+01 volume  0.11000E-02 ppm1      3.775 ppm2      1.851 CV     1
 ASSI { 1272}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
      4.300     2.300     1.700 peak  1272 spectrum    1 weight  0.11000E+01 volume  0.63563E-03 ppm1      3.772 ppm2      0.670 CV     1
 ASSI { 1275}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 67   and name HG2 ))
      4.500     2.500     1.500 peak  1275 spectrum    1 weight  0.11000E+01 volume  0.90080E-03 ppm1      1.186 ppm2      0.183 CV     1
 ASSI { 1287}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 16   and name HB1 ))
      4.300     4.300     1.700 peak  1287 spectrum    1 weight  0.11000E+01 volume  0.64167E-03 ppm1      1.181 ppm2      2.781 CV     1
 ASSI { 1289}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 16   and name HB2 ))
      4.700     4.700     1.300 peak  1289 spectrum    1 weight  0.11000E+01 volume  0.42622E-03 ppm1      1.184 ppm2      2.505 CV     1
 ASSI { 1291}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 87   and name HB2 ))
      3.200     3.200     2.800 peak  1291 spectrum    1 weight  0.11000E+01 volume  0.37247E-02 ppm1      1.542 ppm2      1.876 CV     1
 ASSI { 1292}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 87   and name HB1 ))
      3.200     3.200     2.800 peak  1292 spectrum    1 weight  0.11000E+01 volume  0.30967E-02 ppm1      1.542 ppm2      2.123 CV     1
 ASSI { 1293}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 34   and name HG2 ))
      3.900     1.900     1.900 peak  1293 spectrum    1 weight  0.11000E+01 volume  0.85210E-03 ppm1      1.548 ppm2      2.243 CV     1
 ASSI { 1295}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 87   and name HG1 ))
      2.900     1.100     1.100 peak  1295 spectrum    1 weight  0.11000E+01 volume  0.21476E-02 ppm1      1.544 ppm2      2.675 CV     1
 ASSI { 1297}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 29   and name HA  ))
      3.900     1.900     1.900 peak  1297 spectrum    1 weight  0.11000E+01 volume  0.89092E-03 ppm1      1.542 ppm2      3.532 CV     1
 ASSI { 1298}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
      2.300     2.300     3.700 peak  1298 spectrum    1 weight  0.11000E+01 volume  0.26750E-02 ppm1      1.532 ppm2      3.712 CV     1
 ASSI { 1299}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 87   and name HA  ))
      2.300     2.300     3.700 peak  1299 spectrum    1 weight  0.11000E+01 volume  0.22443E-02 ppm1      1.539 ppm2      4.104 CV     1
 ASSI { 1303}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 29   and name HD1%)
      3.500     1.500     1.500 peak  1303 spectrum    1 weight  0.11000E+01 volume  0.95268E-03 ppm1      1.545 ppm2      0.671 CV     1
 ASSI { 1304}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 50   and name HD1%)
      3.100     3.100     2.900 peak  1304 spectrum    1 weight  0.11000E+01 volume  0.40298E-03 ppm1      1.549 ppm2      0.440 CV     1
 ASSI { 1305}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 29   and name HG2%)
      2.700     2.700     3.300 peak  1305 spectrum    1 weight  0.11000E+01 volume  0.43312E-02 ppm1      1.542 ppm2      0.754 CV     1
 ASSI { 1312}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      2.900     1.000     1.000 peak  1312 spectrum    1 weight  0.11000E+01 volume  0.20473E-02 ppm1      3.516 ppm2      4.217 CV     1
 ASSI { 1323}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 50   and name HD1%)
      2.700     2.700     3.300 peak  1323 spectrum    1 weight  0.11000E+01 volume  0.46698E-02 ppm1      0.683 ppm2      0.449 CV     1
 ASSI { 1325}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 47   and name HB% )
      3.700     3.700     2.300 peak  1325 spectrum    1 weight  0.11000E+01 volume  0.69739E-03 ppm1      1.872 ppm2      1.327 CV     1
 ASSI { 1328}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.100     1.100 peak  1328 spectrum    1 weight  0.11000E+01 volume  0.20005E-02 ppm1      1.874 ppm2      3.962 CV     1
 ASSI { 1338}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      3.500     1.500     1.500 peak  1338 spectrum    1 weight  0.11000E+01 volume  0.12324E-02 ppm1      0.639 ppm2      0.182 CV     1
 ASSI { 1339}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.100     0.500     0.500 peak  1339 spectrum    1 weight  0.11000E+01 volume  0.42808E-02 ppm1      0.636 ppm2     -0.027 CV     1
 ASSI { 1342}
   (( segid "    " and resid 29   and name HG11))
   (  segid "    " and resid 29   and name HG2%)
      3.200     1.300     1.300 peak  1342 spectrum    1 weight  0.11000E+01 volume  0.33673E-02 ppm1      1.762 ppm2      0.756 CV     1
 ASSI { 1343}
   (( segid "    " and resid 29   and name HG12))
   (  segid "    " and resid 50   and name HD1%)
      4.400     2.400     1.600 peak  1343 spectrum    1 weight  0.11000E+01 volume  0.50991E-03 ppm1      0.876 ppm2      0.448 CV     1
 ASSI { 1344}
   (( segid "    " and resid 26   and name HG1 ))
   (  segid "    " and resid 47   and name HB% )
      3.700     3.700     2.300 peak  1344 spectrum    1 weight  0.11000E+01 volume  0.78429E-03 ppm1      2.255 ppm2      1.328 CV     1
 ASSI { 1345}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.500     1.500     1.500 peak  1345 spectrum    1 weight  0.11000E+01 volume  0.12732E-02 ppm1      2.254 ppm2      3.322 CV     1
 ASSI { 1346}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HD1 ))
      2.700     0.900     0.900 peak  1346 spectrum    1 weight  0.11000E+01 volume  0.15122E-02 ppm1      2.257 ppm2      3.562 CV     1
 ASSI { 1348}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.100     1.200     1.200 peak  1348 spectrum    1 weight  0.11000E+01 volume  0.78843E-03 ppm1      1.750 ppm2      3.324 CV     1
 ASSI { 1351}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HG1 ))
      3.100     1.200     1.200 peak  1351 spectrum    1 weight  0.11000E+01 volume  0.13346E-02 ppm1      1.028 ppm2      1.670 CV     1
 ASSI { 1354}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      3.300     3.300     2.700 peak  1354 spectrum    1 weight  0.11000E+01 volume  0.12993E-02 ppm1      0.981 ppm2      3.784 CV     1
 ASSI { 1358}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak  1358 spectrum    1 weight  0.11000E+01 volume  0.93008E-03 ppm1      3.934 ppm2      3.398 CV     1
 ASSI { 1360}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.500     0.800     0.800 peak  1360 spectrum    1 weight  0.11000E+01 volume  0.41566E-02 ppm1      3.934 ppm2      2.130 CV     1
 OR { 1360}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI { 1364}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HD% )
      3.600     3.600     2.400 peak  1364 spectrum    1 weight  0.11000E+01 volume  0.30366E-03 ppm1      4.782 ppm2      7.103 CV     1
 ASSI { 1368}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 82   and name HD% )
      5.000     5.000     1.000 peak  1368 spectrum    1 weight  0.11000E+01 volume  0.56626E-03 ppm1      3.264 ppm2      7.104 CV     1
 ASSI { 1369}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 86   and name HD% )
      5.800     5.800     0.200 peak  1369 spectrum    1 weight  0.11000E+01 volume  0.59520E-04 ppm1      1.233 ppm2      6.756 CV     1
 ASSI { 1372}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 82   and name HD% )
      4.400     4.400     1.600 peak  1372 spectrum    1 weight  0.11000E+01 volume  0.27819E-03 ppm1      1.235 ppm2      7.092 CV     1
 ASSI { 1376}
   (( segid "    " and resid 50   and name HG12))
   (  segid "    " and resid 86   and name HE% )
      5.600     5.600     0.400 peak  1376 spectrum    1 weight  0.11000E+01 volume  0.20944E-03 ppm1      0.008 ppm2      6.746 CV     1
 ASSI { 1377}
   (( segid "    " and resid 50   and name HG12))
   (  segid "    " and resid 82   and name HD% )
      5.600     5.600     0.400 peak  1377 spectrum    1 weight  0.11000E+01 volume  0.25369E-03 ppm1      0.001 ppm2      7.109 CV     1
 ASSI { 1378}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 82   and name HD% )
      4.500     4.500     1.500 peak  1378 spectrum    1 weight  0.11000E+01 volume  0.10937E-02 ppm1      0.668 ppm2      7.098 CV     1
 ASSI { 1380}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 86   and name HD% )
      4.100     4.100     1.900 peak  1380 spectrum    1 weight  0.11000E+01 volume  0.59106E-03 ppm1      0.459 ppm2      6.760 CV     1
 ASSI { 1381}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 82   and name HD% )
      4.000     4.000     2.000 peak  1381 spectrum    1 weight  0.11000E+01 volume  0.41570E-03 ppm1      0.457 ppm2      7.109 CV     1
 ASSI { 1393}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 17   and name HD1 ))
      5.100     5.100     0.900 peak  1393 spectrum    1 weight  0.11000E+01 volume  0.28329E-03 ppm1      1.376 ppm2      7.165 CV     1
 ASSI { 1402}
   (  segid "    " and resid 51   and name HG1%)
   (  segid "    " and resid 21   and name HD% )
      3.900     1.900     1.900 peak  1402 spectrum    1 weight  0.11000E+01 volume  0.41823E-03 ppm1      1.147 ppm2      7.501 CV     1
 ASSI { 1420}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 24   and name HD% )
      5.700     5.700     0.300 peak  1420 spectrum    1 weight  0.11000E+01 volume  0.12700E-03 ppm1      4.565 ppm2      7.024 CV     1
 ASSI { 1421}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.200     0.600     0.600 peak  1421 spectrum    1 weight  0.11000E+01 volume  0.90032E-02 ppm1      4.763 ppm2      2.439 CV     1
 ASSI { 1426}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 72   and name HG2%)
      4.000     4.000     2.000 peak  1426 spectrum    1 weight  0.11000E+01 volume  0.75244E-03 ppm1      2.439 ppm2      1.307 CV     1
 ASSI { 1429}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     3.500     2.500 peak  1429 spectrum    1 weight  0.11000E+01 volume  0.48891E-03 ppm1      2.924 ppm2      4.390 CV     1
 ASSI { 1435}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 17   and name HZ2 ))
      4.300     2.300     1.700 peak  1435 spectrum    1 weight  0.11000E+01 volume  0.20021E-03 ppm1      2.004 ppm2      6.973 CV     1
 ASSI { 1436}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 17   and name HZ2 ))
      5.900     4.300     0.100 peak  1436 spectrum    1 weight  0.11000E+01 volume  0.11618E-03 ppm1      1.752 ppm2      6.966 CV     1
 ASSI { 1440}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
      4.900     3.100     1.100 peak  1440 spectrum    1 weight  0.11000E+01 volume  0.51375E-03 ppm1      3.125 ppm2      0.624 CV     1
 ASSI { 1441}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
      4.800     2.900     1.200 peak  1441 spectrum    1 weight  0.11000E+01 volume  0.58375E-03 ppm1      3.129 ppm2     -0.026 CV     1
 ASSI { 1443}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HD1 ))
      3.500     1.500     1.500 peak  1443 spectrum    1 weight  0.11000E+01 volume  0.14244E-02 ppm1      1.600 ppm2      3.124 CV     1
 ASSI { 1444}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.700     1.700     1.700 peak  1444 spectrum    1 weight  0.11000E+01 volume  0.19540E-02 ppm1      1.834 ppm2      4.270 CV     1
 ASSI { 1445}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.300     2.300     1.700 peak  1445 spectrum    1 weight  0.11000E+01 volume  0.67002E-03 ppm1      1.603 ppm2      4.270 CV     1
 ASSI { 1450}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 86   and name HE% )
      5.800     5.800     0.200 peak  1450 spectrum    1 weight  0.11000E+01 volume  0.15342E-03 ppm1      3.064 ppm2      6.727 CV     1
 ASSI { 1451}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 86   and name HE% )
      5.100     5.100     0.900 peak  1451 spectrum    1 weight  0.11000E+01 volume  0.16233E-03 ppm1      2.720 ppm2      6.729 CV     1
 ASSI { 1470}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.200     0.600     0.600 peak  1470 spectrum    1 weight  0.11000E+01 volume  0.12587E-01 ppm1      4.098 ppm2      1.864 CV     1
 ASSI { 1473}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak  1473 spectrum    1 weight  0.11000E+01 volume  0.20804E-02 ppm1      1.981 ppm2      4.071 CV     1
 ASSI { 1478}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HG11))
      2.300     0.700     0.700 peak  1478 spectrum    1 weight  0.11000E+01 volume  0.68938E-02 ppm1      0.715 ppm2      1.393 CV     1
 ASSI { 1479}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HB  ))
      3.200     1.300     1.300 peak  1479 spectrum    1 weight  0.11000E+01 volume  0.42730E-02 ppm1      0.715 ppm2      1.990 CV     1
 ASSI { 1480}
   (  segid "    " and resid 91   and name HD1%)
   (  segid "    " and resid 91   and name HG2%)
      2.900     2.900     3.100 peak  1480 spectrum    1 weight  0.11000E+01 volume  0.34962E-02 ppm1      0.740 ppm2      0.864 CV     1
 ASSI { 1484}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HB2 ))
      2.000     0.500     0.500 peak  1484 spectrum    1 weight  0.11000E+01 volume  0.67871E-02 ppm1      3.131 ppm2      2.750 CV     1
 ASSI { 1492}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 86   and name HE% )
      3.800     3.800     2.200 peak  1492 spectrum    1 weight  0.11000E+01 volume  0.73465E-03 ppm1      0.940 ppm2      6.730 CV     1
 OR { 1492}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 86   and name HD% )
 ASSI { 1497}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 86   and name HE% )
      4.200     2.200     1.800 peak  1497 spectrum    1 weight  0.11000E+01 volume  0.22758E-03 ppm1      4.296 ppm2      6.728 CV     1
 ASSI { 1501}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.900     1.900     1.900 peak  1501 spectrum    1 weight  0.11000E+01 volume  0.50610E-03 ppm1      3.192 ppm2      2.582 CV     1
 ASSI { 1502}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 42   and name HB2 ))
      4.500     2.500     1.500 peak  1502 spectrum    1 weight  0.11000E+01 volume  0.74450E-03 ppm1      3.043 ppm2      2.582 CV     1
 ASSI { 1503}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 14   and name HG2 ))
      2.900     1.100     1.100 peak  1503 spectrum    1 weight  0.11000E+01 volume  0.21972E-02 ppm1      0.803 ppm2      2.162 CV     1
 ASSI { 1510}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.600     0.800     0.800 peak  1510 spectrum    1 weight  0.11000E+01 volume  0.78385E-02 ppm1      1.722 ppm2      1.872 CV     1
 ASSI { 1512}
   (( segid "    " and resid 43   and name HG12))
   (( segid "    " and resid 38   and name HB1 ))
      3.600     1.600     1.600 peak  1512 spectrum    1 weight  0.11000E+01 volume  0.12309E-02 ppm1      1.195 ppm2      3.180 CV     1
 ASSI { 1514}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 14   and name HG1 ))
      2.900     1.100     1.100 peak  1514 spectrum    1 weight  0.11000E+01 volume  0.24869E-02 ppm1      0.815 ppm2      2.282 CV     1
 ASSI { 1517}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HA  ))
      4.000     2.000     2.000 peak  1517 spectrum    1 weight  0.11000E+01 volume  0.12490E-02 ppm1      0.815 ppm2      4.034 CV     1
 ASSI { 1518}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB2 ))
      2.200     0.600     0.600 peak  1518 spectrum    1 weight  0.11000E+01 volume  0.12772E-01 ppm1      0.815 ppm2      1.357 CV     1
 ASSI { 1520}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.300     0.700     0.700 peak  1520 spectrum    1 weight  0.11000E+01 volume  0.49070E-02 ppm1      3.715 ppm2      4.123 CV     1
 ASSI { 1522}
   (( segid "    " and resid 71   and name HG  ))
   (( segid "    " and resid 76   and name HA  ))
      4.400     2.400     1.600 peak  1522 spectrum    1 weight  0.11000E+01 volume  0.42622E-03 ppm1      1.159 ppm2      3.676 CV     1
 ASSI { 1526}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 76   and name HB2 ))
      3.100     1.200     1.200 peak  1526 spectrum    1 weight  0.11000E+01 volume  0.32588E-02 ppm1      0.421 ppm2      1.608 CV     1
 ASSI { 1534}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 20   and name HB2 ))
      4.900     3.000     1.100 peak  1534 spectrum    1 weight  0.11000E+01 volume  0.26801E-03 ppm1      1.117 ppm2      2.908 CV     1
 ASSI { 1537}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      3.900     1.900     1.900 peak  1537 spectrum    1 weight  0.11000E+01 volume  0.70183E-03 ppm1      1.657 ppm2     -0.011 CV     1
 ASSI { 1538}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
      4.500     4.500     1.500 peak  1538 spectrum    1 weight  0.11000E+01 volume  0.49749E-03 ppm1      1.658 ppm2      0.721 CV     1
 ASSI { 1543}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.000     0.500     0.500 peak  1543 spectrum    1 weight  0.11000E+01 volume  0.49301E-02 ppm1      0.193 ppm2      1.099 CV     1
 ASSI { 1547}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
      4.100     2.100     1.900 peak  1547 spectrum    1 weight  0.11000E+01 volume  0.37751E-03 ppm1      0.196 ppm2      2.909 CV     1
 ASSI { 1551}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.700     0.900     0.900 peak  1551 spectrum    1 weight  0.11000E+01 volume  0.15444E-02 ppm1      1.107 ppm2      0.624 CV     1
 ASSI { 1554}
   (( segid "    " and resid 71   and name HG  ))
   (( segid "    " and resid 76   and name HB1 ))
      4.800     2.900     1.200 peak  1554 spectrum    1 weight  0.11000E+01 volume  0.88488E-03 ppm1      1.169 ppm2      1.922 CV     1
 ASSI { 1555}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.500     1.500     1.500 peak  1555 spectrum    1 weight  0.11000E+01 volume  0.13037E-02 ppm1      1.111 ppm2      2.081 CV     1
 ASSI { 1556}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak  1556 spectrum    1 weight  0.11000E+01 volume  0.88902E-03 ppm1      1.105 ppm2      2.518 CV     1
 ASSI { 1559}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.600     0.900     0.900 peak  1559 spectrum    1 weight  0.11000E+01 volume  0.18099E-02 ppm1      1.108 ppm2      3.065 CV     1
 ASSI { 1570}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      2.500     0.800     0.800 peak  1570 spectrum    1 weight  0.11000E+01 volume  0.51110E-02 ppm1      4.266 ppm2      2.025 CV     1
 ASSI { 1571}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.300     1.300     1.300 peak  1571 spectrum    1 weight  0.11000E+01 volume  0.24767E-02 ppm1      4.009 ppm2      2.756 CV     1
 ASSI { 1575}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 17   and name HZ2 ))
      3.500     1.500     1.500 peak  1575 spectrum    1 weight  0.11000E+01 volume  0.68404E-03 ppm1      3.265 ppm2      6.964 CV     1
 ASSI { 1577}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      4.400     4.400     1.600 peak  1577 spectrum    1 weight  0.11000E+01 volume  0.82312E-03 ppm1      2.929 ppm2      5.172 CV     1
 ASSI { 1583}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 46   and name HB2 ))
      3.600     3.600     2.400 peak  1583 spectrum    1 weight  0.11000E+01 volume  0.18149E-02 ppm1      0.781 ppm2      2.703 CV     1
 ASSI { 1586}
   (  segid "    " and resid 99   and name HB% )
   (( segid "    " and resid 96   and name HA  ))
      2.900     1.100     1.100 peak  1586 spectrum    1 weight  0.11000E+01 volume  0.27049E-02 ppm1      1.373 ppm2      4.130 CV     1
 ASSI { 1592}
   (  segid "    " and resid 51   and name HG2%)
   (  segid "    " and resid 24   and name HD% )
      3.400     3.400     2.600 peak  1592 spectrum    1 weight  0.11000E+01 volume  0.23268E-03 ppm1      0.910 ppm2      6.991 CV     1
 ASSI { 1602}
   (  segid "    " and resid 28   and name HD2%)
   (  segid "    " and resid 71   and name HD1%)
      3.900     1.900     1.900 peak  1602 spectrum    1 weight  0.11000E+01 volume  0.52423E-03 ppm1      0.984 ppm2      0.023 CV     1
 ASSI { 1606}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 79   and name HB  ))
      3.900     1.900     1.900 peak  1606 spectrum    1 weight  0.11000E+01 volume  0.68180E-03 ppm1      0.973 ppm2      2.357 CV     1
 ASSI { 1607}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 24   and name HB2 ))
      3.500     1.500     1.500 peak  1607 spectrum    1 weight  0.11000E+01 volume  0.70534E-03 ppm1      0.987 ppm2      2.907 CV     1
 ASSI { 1608}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 24   and name HB1 ))
      4.700     2.800     1.300 peak  1608 spectrum    1 weight  0.11000E+01 volume  0.63724E-03 ppm1      0.985 ppm2      3.070 CV     1
 ASSI { 1617}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.400     2.400     1.600 peak  1617 spectrum    1 weight  0.11000E+01 volume  0.43002E-03 ppm1      4.566 ppm2      1.583 CV     1
 ASSI { 1618}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      5.600     5.600     0.400 peak  1618 spectrum    1 weight  0.11000E+01 volume  0.27501E-03 ppm1      4.570 ppm2      1.877 CV     1
 ASSI { 1620}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.900     1.000     1.000 peak  1620 spectrum    1 weight  0.11000E+01 volume  0.26170E-02 ppm1      3.795 ppm2      2.040 CV     1
 ASSI { 1626}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.500     1.500 peak  1626 spectrum    1 weight  0.11000E+01 volume  0.72574E-03 ppm1      5.183 ppm2      2.803 CV     1
 ASSI { 1635}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      4.400     4.400     1.600 peak  1635 spectrum    1 weight  0.11000E+01 volume  0.53601E-03 ppm1      3.806 ppm2      0.878 CV     1
 ASSI { 1636}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 59   and name HD1%)
      4.600     4.600     1.400 peak  1636 spectrum    1 weight  0.11000E+01 volume  0.37497E-03 ppm1      3.914 ppm2      0.884 CV     1
 ASSI { 1637}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 13   and name HD1%)
      4.500     4.500     1.500 peak  1637 spectrum    1 weight  0.11000E+01 volume  0.43479E-03 ppm1      3.917 ppm2      0.946 CV     1
 ASSI { 1655}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 50   and name HD1%)
      3.100     3.100     2.900 peak  1655 spectrum    1 weight  0.11000E+01 volume  0.39500E-03 ppm1      2.682 ppm2      0.444 CV     1
 ASSI { 1656}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 50   and name HD1%)
      3.200     3.200     2.800 peak  1656 spectrum    1 weight  0.11000E+01 volume  0.34090E-03 ppm1      2.485 ppm2      0.448 CV     1
 ASSI { 1663}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      4.600     2.700     1.400 peak  1663 spectrum    1 weight  0.11000E+01 volume  0.28902E-03 ppm1      1.383 ppm2      3.779 CV     1
 ASSI { 1665}
   (  segid "    " and resid 28   and name HD2%)
   (  segid "    " and resid 24   and name HD% )
      4.100     4.100     1.900 peak  1665 spectrum    1 weight  0.11000E+01 volume  0.35745E-03 ppm1      0.976 ppm2      6.993 CV     1
 ASSI { 1666}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.900     3.000     1.100 peak  1666 spectrum    1 weight  0.11000E+01 volume  0.43576E-03 ppm1      4.251 ppm2      2.782 CV     1
 ASSI { 1670}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 86   and name HE% )
      3.800     1.800     1.800 peak  1670 spectrum    1 weight  0.11000E+01 volume  0.39597E-03 ppm1      0.692 ppm2      6.745 CV     1
 ASSI { 1689}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 21   and name HB1 ))
      2.800     1.000     1.000 peak  1689 spectrum    1 weight  0.11000E+01 volume  0.11268E-02 ppm1      0.690 ppm2      3.047 CV     1
 ASSI { 1693}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 28   and name HB1 ))
      4.400     2.400     1.600 peak  1693 spectrum    1 weight  0.11000E+01 volume  0.85336E-03 ppm1      0.686 ppm2      2.051 CV     1
 ASSI { 1694}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 26   and name HD2 ))
      4.600     2.700     1.400 peak  1694 spectrum    1 weight  0.11000E+01 volume  0.99214E-03 ppm1      0.686 ppm2      3.322 CV     1
 ASSI { 1696}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 29   and name HG2%)
      3.500     1.500     1.500 peak  1696 spectrum    1 weight  0.11000E+01 volume  0.62131E-03 ppm1      3.057 ppm2      0.774 CV     1
 ASSI { 1698}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
      4.100     2.100     1.900 peak  1698 spectrum    1 weight  0.11000E+01 volume  0.72126E-03 ppm1      2.257 ppm2      3.955 CV     1
 ASSI { 1700}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 26   and name HD1 ))
      3.500     1.600     1.600 peak  1700 spectrum    1 weight  0.11000E+01 volume  0.14950E-02 ppm1      0.909 ppm2      3.578 CV     1
 ASSI { 1703}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 47   and name HB% )
      4.500     4.500     1.500 peak  1703 spectrum    1 weight  0.11000E+01 volume  0.72764E-03 ppm1      1.826 ppm2      1.324 CV     1
 ASSI { 1704}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 47   and name HB% )
      3.700     1.700     1.700 peak  1704 spectrum    1 weight  0.11000E+01 volume  0.68531E-03 ppm1      2.257 ppm2      1.322 CV     1
 ASSI { 1706}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      5.800     5.800     0.200 peak  1706 spectrum    1 weight  0.11000E+01 volume  0.15915E-03 ppm1      0.696 ppm2      3.950 CV     1
 ASSI { 1707}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.000     1.100     1.100 peak  1707 spectrum    1 weight  0.11000E+01 volume  0.20142E-02 ppm1      4.392 ppm2      1.910 CV     1
 ASSI { 1708}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HD1 ))
      3.800     1.800     1.800 peak  1708 spectrum    1 weight  0.11000E+01 volume  0.17958E-02 ppm1      4.388 ppm2      1.635 CV     1
 ASSI { 1709}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      4.300     2.300     1.700 peak  1709 spectrum    1 weight  0.11000E+01 volume  0.88104E-03 ppm1      4.188 ppm2      2.130 CV     1
 ASSI { 1711}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak  1711 spectrum    1 weight  0.11000E+01 volume  0.23895E-02 ppm1      3.261 ppm2      4.088 CV     1
 ASSI { 1722}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 67   and name HD2 ))
      4.000     2.000     2.000 peak  1722 spectrum    1 weight  0.11000E+01 volume  0.11051E-02 ppm1      0.945 ppm2      2.103 CV     1
 ASSI { 1723}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 67   and name HD2 ))
      3.800     1.800     1.800 peak  1723 spectrum    1 weight  0.11000E+01 volume  0.13881E-02 ppm1      0.883 ppm2      2.103 CV     1
 ASSI { 1726}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD2 ))
      4.400     2.400     1.600 peak  1726 spectrum    1 weight  0.11000E+01 volume  0.43767E-03 ppm1      4.278 ppm2      1.740 CV     1
 ASSI { 1733}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.200     3.200     2.800 peak  1733 spectrum    1 weight  0.11000E+01 volume  0.34026E-03 ppm1      3.274 ppm2      1.890 CV     1
 ASSI { 1734}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      3.300     1.400     1.400 peak  1734 spectrum    1 weight  0.11000E+01 volume  0.12557E-02 ppm1      4.308 ppm2      1.355 CV     1
 ASSI { 1735}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 74   and name HA1 ))
      2.400     2.400     3.600 peak  1735 spectrum    1 weight  0.11000E+01 volume  0.20085E-02 ppm1      3.305 ppm2      3.887 CV     1
 ASSI { 1738}
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
      3.500     1.500     1.500 peak  1738 spectrum    1 weight  0.11000E+01 volume  0.16135E-02 ppm1      3.188 ppm2      0.727 CV     1
 ASSI { 1744}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak  1744 spectrum    1 weight  0.11000E+01 volume  0.27298E-02 ppm1      2.589 ppm2      4.216 CV     1
 ASSI { 1745}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.600     0.800     0.800 peak  1745 spectrum    1 weight  0.11000E+01 volume  0.46433E-02 ppm1      2.591 ppm2      4.359 CV     1
 ASSI { 1746}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.100     1.100 peak  1746 spectrum    1 weight  0.11000E+01 volume  0.43651E-02 ppm1      2.833 ppm2      4.360 CV     1
 ASSI { 1748}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      1.800     0.400     0.400 peak  1748 spectrum    1 weight  0.11000E+01 volume  0.14879E-01 ppm1      2.839 ppm2      2.573 CV     1
 ASSI { 1750}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 43   and name HG11))
      2.100     0.500     0.500 peak  1750 spectrum    1 weight  0.11000E+01 volume  0.11087E-02 ppm1      3.187 ppm2      1.577 CV     1
 ASSI { 1751}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 43   and name HG11))
      3.500     1.500     1.500 peak  1751 spectrum    1 weight  0.11000E+01 volume  0.12025E-02 ppm1      3.026 ppm2      1.582 CV     1
 ASSI { 1756}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      5.300     3.500     0.700 peak  1756 spectrum    1 weight  0.11000E+01 volume  0.32658E-03 ppm1      3.855 ppm2      2.564 CV     1
 ASSI { 1757}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 88   and name HB1 ))
      4.100     2.100     1.900 peak  1757 spectrum    1 weight  0.11000E+01 volume  0.82916E-03 ppm1      3.861 ppm2      2.809 CV     1
 ASSI { 1762}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1762 spectrum    1 weight  0.11000E+01 volume  0.13222E-02 ppm1      4.293 ppm2      2.650 CV     1
 ASSI { 1767}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
      4.400     2.400     1.600 peak  1767 spectrum    1 weight  0.11000E+01 volume  0.29379E-03 ppm1      4.298 ppm2      2.437 CV     1
 OR { 1767}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1780}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.900     2.900     1.100 peak  1780 spectrum    1 weight  0.11000E+01 volume  0.64455E-03 ppm1      1.597 ppm2      2.786 CV     1
 ASSI { 1781}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      4.800     2.900     1.200 peak  1781 spectrum    1 weight  0.11000E+01 volume  0.80275E-03 ppm1      1.843 ppm2      2.784 CV     1
 ASSI { 1787}
   (  segid "    " and resid 22   and name HB% )
   (  segid "    " and resid 25   and name HG2%)
      5.100     5.100     0.900 peak  1787 spectrum    1 weight  0.11000E+01 volume  0.42144E-03 ppm1      1.485 ppm2      0.677 CV     1
 ASSI { 1795}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 71   and name HD1%)
      4.100     2.100     1.900 peak  1795 spectrum    1 weight  0.11000E+01 volume  0.48160E-03 ppm1      2.916 ppm2      0.026 CV     1
 ASSI { 1797}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 24   and name HB1 ))
      3.700     1.700     1.700 peak  1797 spectrum    1 weight  0.11000E+01 volume  0.11261E-02 ppm1      0.030 ppm2      3.094 CV     1
 ASSI { 1803}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.300     1.300     1.300 peak  1803 spectrum    1 weight  0.11000E+01 volume  0.68468E-03 ppm1      3.562 ppm2      1.375 CV     1
 ASSI { 1805}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      3.900     3.900     2.100 peak  1805 spectrum    1 weight  0.11000E+01 volume  0.52807E-03 ppm1      2.036 ppm2      3.571 CV     1
 ASSI { 1806}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 25   and name HG2%)
      4.700     4.700     1.300 peak  1806 spectrum    1 weight  0.11000E+01 volume  0.25241E-03 ppm1      1.384 ppm2      0.666 CV     1
 ASSI { 1812}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
      3.000     3.000     3.000 peak  1812 spectrum    1 weight  0.11000E+01 volume  0.48414E-03 ppm1      0.816 ppm2      3.398 CV     1
 ASSI { 1817}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 28   and name HD1%)
      2.700     2.700     3.300 peak  1817 spectrum    1 weight  0.11000E+01 volume  0.35277E-02 ppm1      0.920 ppm2      2.031 CV     1
 OR { 1817}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1819}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HE1 ))
      2.900     1.000     1.000 peak  1819 spectrum    1 weight  0.11000E+01 volume  0.22953E-02 ppm1      1.346 ppm2      2.653 CV     1
 ASSI { 1821}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     1.300     1.300 peak  1821 spectrum    1 weight  0.11000E+01 volume  0.11707E-02 ppm1      1.345 ppm2      3.321 CV     1
 ASSI { 1822}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HA  ))
      4.100     4.100     1.900 peak  1822 spectrum    1 weight  0.11000E+01 volume  0.12850E-02 ppm1      1.343 ppm2      3.722 CV     1
 ASSI { 1823}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 87   and name HG2 ))
      3.500     1.500     1.500 peak  1823 spectrum    1 weight  0.11000E+01 volume  0.16287E-02 ppm1      0.780 ppm2      2.471 CV     1
 ASSI { 1829}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1829 spectrum    1 weight  0.11000E+01 volume  0.19340E-02 ppm1      0.912 ppm2      3.789 CV     1
 ASSI { 1830}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
      4.500     4.500     1.500 peak  1830 spectrum    1 weight  0.11000E+01 volume  0.13286E-02 ppm1      0.757 ppm2      3.785 CV     1
 ASSI { 1843}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 55   and name HG2%)
      2.900     2.900     3.100 peak  1843 spectrum    1 weight  0.11000E+01 volume  0.22319E-02 ppm1      2.104 ppm2      1.357 CV     1
 ASSI { 1844}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.400     0.700     0.700 peak  1844 spectrum    1 weight  0.11000E+01 volume  0.51353E-02 ppm1      2.110 ppm2      3.917 CV     1
 ASSI { 1853}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HD1 ))
      3.300     1.400     1.400 peak  1853 spectrum    1 weight  0.11000E+01 volume  0.18773E-02 ppm1      3.796 ppm2      1.650 CV     1
 ASSI { 1854}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      2.900     1.000     1.000 peak  1854 spectrum    1 weight  0.11000E+01 volume  0.19524E-02 ppm1      3.797 ppm2      1.380 CV     1
 ASSI { 1860}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.200     1.300     1.300 peak  1860 spectrum    1 weight  0.11000E+01 volume  0.16179E-02 ppm1      4.188 ppm2      3.856 CV     1
 ASSI { 1866}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 91   and name HB  ))
      3.200     1.300     1.300 peak  1866 spectrum    1 weight  0.11000E+01 volume  0.12646E-02 ppm1      4.355 ppm2      1.984 CV     1
 ASSI { 1868}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
      5.500     3.700     0.500 peak  1868 spectrum    1 weight  0.11000E+01 volume  0.25496E-03 ppm1      4.712 ppm2      3.036 CV     1
 ASSI { 1871}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.400     2.400     1.600 peak  1871 spectrum    1 weight  0.11000E+01 volume  0.89633E-03 ppm1      4.401 ppm2      3.060 CV     1
 ASSI { 1873}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      4.800     2.800     1.200 peak  1873 spectrum    1 weight  0.11000E+01 volume  0.41253E-03 ppm1      3.683 ppm2      3.920 CV     1
 ASSI { 1876}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak  1876 spectrum    1 weight  0.11000E+01 volume  0.28790E-02 ppm1      4.121 ppm2      1.768 CV     1
 ASSI { 1880}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.800     1.800     1.800 peak  1880 spectrum    1 weight  0.11000E+01 volume  0.13200E-02 ppm1      2.225 ppm2      4.077 CV     1
 ASSI { 1881}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
      4.000     2.000     2.000 peak  1881 spectrum    1 weight  0.11000E+01 volume  0.11803E-02 ppm1      2.063 ppm2      4.077 CV     1
 ASSI { 1901}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.500     0.800     0.800 peak  1901 spectrum    1 weight  0.11000E+01 volume  0.46728E-02 ppm1      1.576 ppm2      3.182 CV     1
 ASSI { 1905}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HD1 ))
      2.400     0.700     0.700 peak  1905 spectrum    1 weight  0.11000E+01 volume  0.50845E-02 ppm1      1.716 ppm2      3.246 CV     1
 ASSI { 1912}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HD1 ))
      3.000     1.100     1.100 peak  1912 spectrum    1 weight  0.11000E+01 volume  0.23895E-02 ppm1      4.122 ppm2      1.492 CV     1
 ASSI { 1913}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG1 ))
      2.800     1.000     1.000 peak  1913 spectrum    1 weight  0.11000E+01 volume  0.31906E-02 ppm1      4.122 ppm2      1.603 CV     1
 ASSI { 1914}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak  1914 spectrum    1 weight  0.11000E+01 volume  0.35732E-02 ppm1      4.123 ppm2      1.943 CV     1
 ASSI { 1917}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 21   and name HB1 ))
      2.500     0.800     0.800 peak  1917 spectrum    1 weight  0.11000E+01 volume  0.24955E-02 ppm1      0.908 ppm2      3.052 CV     1
 ASSI { 1918}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.100     3.100     2.900 peak  1918 spectrum    1 weight  0.11000E+01 volume  0.99375E-03 ppm1      1.533 ppm2      1.669 CV     1
 ASSI { 1919}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 57   and name HB1 ))
      5.000     5.000     1.000 peak  1919 spectrum    1 weight  0.11000E+01 volume  0.47235E-03 ppm1      0.221 ppm2      1.609 CV     1
 ASSI { 1932}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      4.700     4.700     1.300 peak  1932 spectrum    1 weight  0.11000E+01 volume  0.56529E-03 ppm1      3.657 ppm2      0.879 CV     1
 ASSI { 1934}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.800     1.000     1.000 peak  1934 spectrum    1 weight  0.11000E+01 volume  0.33234E-02 ppm1      3.651 ppm2      1.359 CV     1
 ASSI { 1967}
   (  segid "    " and resid 79   and name HG1%)
   (  segid "    " and resid 24   and name HD% )
      6.000     6.000     0.000 peak  1967 spectrum    1 weight  0.11000E+01 volume  0.56977E-04 ppm1      1.363 ppm2      6.994 CV     1
 ASSI { 1968}
   (  segid "    " and resid 79   and name HG2%)
   (  segid "    " and resid 82   and name HD% )
      4.300     4.300     1.700 peak  1968 spectrum    1 weight  0.11000E+01 volume  0.71489E-03 ppm1      1.000 ppm2      7.066 CV     1
 ASSI { 1974}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 76   and name HD1 ))
      4.800     2.800     1.200 peak  1974 spectrum    1 weight  0.11000E+01 volume  0.52136E-03 ppm1      0.032 ppm2      3.173 CV     1
 ASSI { 1989}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.900     1.100     1.100 peak  1989 spectrum    1 weight  0.11000E+01 volume  0.26807E-02 ppm1      4.094 ppm2      1.699 CV     1
 ASSI { 1990}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.800     1.000     1.000 peak  1990 spectrum    1 weight  0.11000E+01 volume  0.34634E-02 ppm1      4.098 ppm2      1.576 CV     1
 ASSI { 1991}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.600     0.800     0.800 peak  1991 spectrum    1 weight  0.11000E+01 volume  0.71664E-02 ppm1      3.196 ppm2      1.700 CV     1
 ASSI { 1993}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.300     0.700     0.700 peak  1993 spectrum    1 weight  0.11000E+01 volume  0.70336E-02 ppm1      1.875 ppm2      1.568 CV     1
 ASSI { 1995}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
      4.300     2.400     1.700 peak  1995 spectrum    1 weight  0.11000E+01 volume  0.13544E-02 ppm1      1.364 ppm2      4.061 CV     1
 ASSI { 2007}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak  2007 spectrum    1 weight  0.11000E+01 volume  0.20795E-02 ppm1      0.887 ppm2      4.606 CV     1
 ASSI { 2011}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.300     3.600     0.700 peak  2011 spectrum    1 weight  0.11000E+01 volume  0.19194E-03 ppm1      4.248 ppm2      2.509 CV     1
 ASSI { 2016}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
      5.600     3.900     0.400 peak  2016 spectrum    1 weight  0.11000E+01 volume  0.21549E-03 ppm1      4.289 ppm2      2.795 CV     1
 ASSI { 2026}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
      5.100     3.200     0.900 peak  2026 spectrum    1 weight  0.11000E+01 volume  0.18270E-03 ppm1      3.162 ppm2      1.097 CV     1
 ASSI { 2027}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.700     1.700     1.700 peak  2027 spectrum    1 weight  0.11000E+01 volume  0.26769E-03 ppm1     -0.016 ppm2      2.907 CV     1
 ASSI { 2029}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 20   and name HB1 ))
      3.700     1.700     1.700 peak  2029 spectrum    1 weight  0.11000E+01 volume  0.43036E-03 ppm1      0.634 ppm2      3.161 CV     1
 ASSI { 2030}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      4.400     2.400     1.600 peak  2030 spectrum    1 weight  0.11000E+01 volume  0.27565E-03 ppm1     -0.013 ppm2      3.166 CV     1
 ASSI { 2039}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 13   and name HD2%)
      5.000     3.100     1.000 peak  2039 spectrum    1 weight  0.11000E+01 volume  0.30652E-03 ppm1      2.799 ppm2      0.881 CV     1
 ASSI { 2042}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak  2042 spectrum    1 weight  0.11000E+01 volume  0.53952E-03 ppm1      0.878 ppm2      2.518 CV     1
 ASSI { 2048}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 59   and name HD2%)
      5.300     5.300     0.700 peak  2048 spectrum    1 weight  0.11000E+01 volume  0.21008E-03 ppm1      3.692 ppm2      0.808 CV     1
 ASSI { 2056}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 90   and name HG11))
      2.600     0.900     0.900 peak  2056 spectrum    1 weight  0.11000E+01 volume  0.48843E-02 ppm1      4.085 ppm2      1.380 CV     1
 ASSI { 2065}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
      4.300     2.300     1.700 peak  2065 spectrum    1 weight  0.11000E+01 volume  0.59237E-03 ppm1      0.947 ppm2      2.656 CV     1
 ASSI { 2066}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 49   and name HB1 ))
      3.600     3.600     2.400 peak  2066 spectrum    1 weight  0.11000E+01 volume  0.64742E-03 ppm1      0.943 ppm2      2.814 CV     1
 ASSI { 2075}
   (( segid "    " and resid 75   and name HE2 ))
   (  segid "    " and resid 20   and name HE% )
      3.400     1.400     1.400 peak  2075 spectrum    1 weight  0.11000E+01 volume  0.51405E-03 ppm1      3.003 ppm2      6.877 CV     1
 ASSI { 2076}
   (( segid "    " and resid 75   and name HE1 ))
   (  segid "    " and resid 21   and name HE% )
      4.600     2.600     1.400 peak  2076 spectrum    1 weight  0.11000E+01 volume  0.13400E-03 ppm1      3.111 ppm2      7.312 CV     1
 ASSI { 2079}
   (( segid "    " and resid 75   and name HE2 ))
   (  segid "    " and resid 21   and name HE% )
      3.700     3.700     2.300 peak  2079 spectrum    1 weight  0.11000E+01 volume  0.59587E-03 ppm1      3.001 ppm2      7.312 CV     1
 ASSI { 2080}
   (( segid "    " and resid 75   and name HE1 ))
   (( segid "    " and resid 75   and name HA  ))
      4.800     2.900     1.200 peak  2080 spectrum    1 weight  0.11000E+01 volume  0.40041E-03 ppm1      3.121 ppm2      4.266 CV     1
 ASSI { 2094}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HE1 ))
      4.600     2.600     1.400 peak  2094 spectrum    1 weight  0.11000E+01 volume  0.32753E-03 ppm1      1.666 ppm2      2.654 CV     1
 ASSI { 2095}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HE1 ))
      5.700     4.000     0.300 peak  2095 spectrum    1 weight  0.11000E+01 volume  0.16265E-03 ppm1      3.767 ppm2      2.656 CV     1
 ASSI { 2100}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 50   and name HD1%)
      4.700     4.700     1.300 peak  2100 spectrum    1 weight  0.11000E+01 volume  0.74260E-03 ppm1      0.007 ppm2      0.432 CV     1
 ASSI { 2104}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 82   and name HD% )
      4.700     2.700     1.300 peak  2104 spectrum    1 weight  0.11000E+01 volume  0.16711E-03 ppm1      1.193 ppm2      7.067 CV     1
 ASSI { 2105}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 64   and name HA  ))
      2.900     2.900     3.100 peak  2105 spectrum    1 weight  0.11000E+01 volume  0.35627E-02 ppm1      0.867 ppm2      4.605 CV     1
 ASSI { 2112}
   (  segid "    " and resid 79   and name HG2%)
   (  segid "    " and resid 24   and name HD% )
      4.100     4.100     1.900 peak  2112 spectrum    1 weight  0.11000E+01 volume  0.40104E-03 ppm1      1.016 ppm2      6.983 CV     1
 ASSI { 2114}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.000     0.500     0.500 peak  2114 spectrum    1 weight  0.11000E+01 volume  0.69008E-02 ppm1      3.712 ppm2      3.805 CV     1
 ASSI { 2119}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 13   and name HD1%)
      4.500     4.500     1.500 peak  2119 spectrum    1 weight  0.11000E+01 volume  0.41603E-03 ppm1      3.922 ppm2      0.945 CV     1
 ASSI { 2146}
   (( segid "    " and resid 34   and name HG1 ))
   (  segid "    " and resid 87   and name HE% )
      3.700     1.700     1.700 peak  2146 spectrum    1 weight  0.11000E+01 volume  0.27119E-03 ppm1      2.504 ppm2      1.522 CV     1
 ASSI { 2149}
   (( segid "    " and resid 65   and name HG2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak  2149 spectrum    1 weight  0.11000E+01 volume  0.35217E-02 ppm1      1.715 ppm2      4.263 CV     1
 ASSI { 2154}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 65   and name HG1 ))
      2.700     0.900     0.900 peak  2154 spectrum    1 weight  0.11000E+01 volume  0.61381E-02 ppm1      3.268 ppm2      1.810 CV     1
 ASSI { 2155}
   (( segid "    " and resid 65   and name HD1 ))
   (( segid "    " and resid 65   and name HB2 ))
      2.700     0.900     0.900 peak  2155 spectrum    1 weight  0.11000E+01 volume  0.54351E-02 ppm1      3.268 ppm2      1.752 CV     1
 ASSI { 2156}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HE1 ))
      5.100     3.200     0.900 peak  2156 spectrum    1 weight  0.11000E+01 volume  0.27374E-03 ppm1      4.118 ppm2      2.962 CV     1
 ASSI { 2157}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 71   and name HG  ))
      3.500     1.500     1.500 peak  2157 spectrum    1 weight  0.11000E+01 volume  0.15078E-02 ppm1      1.601 ppm2      1.168 CV     1
 ASSI { 2163}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 24   and name HB2 ))
      5.000     3.100     1.000 peak  2163 spectrum    1 weight  0.11000E+01 volume  0.13241E-03 ppm1      0.426 ppm2      2.896 CV     1
 ASSI { 2166}
   (  segid "    " and resid 28   and name HD2%)
   (  segid "    " and resid 71   and name HD2%)
      4.800     2.900     1.200 peak  2166 spectrum    1 weight  0.11000E+01 volume  0.18207E-03 ppm1      0.973 ppm2      0.411 CV     1
 ASSI { 2167}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      3.500     1.500     1.500 peak  2167 spectrum    1 weight  0.11000E+01 volume  0.23127E-02 ppm1      3.795 ppm2      1.976 CV     1
 ASSI { 2168}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HE1 ))
      5.200     5.200     0.800 peak  2168 spectrum    1 weight  0.11000E+01 volume  0.16170E-03 ppm1      3.804 ppm2      2.932 CV     1
 ASSI {    3}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 17   and name HE1 ))
      2.700     2.700     3.300 peak     3 spectrum    2 weight  0.11000E+01 volume  0.45878E-02 ppm1      0.960 ppm2     10.462 CV     1
 ASSI {    4}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 17   and name HE1 ))
      3.200     1.200     1.200 peak     4 spectrum    2 weight  0.11000E+01 volume  0.21946E-02 ppm1      0.892 ppm2     10.464 CV     1
 ASSI {    5}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak     5 spectrum    2 weight  0.11000E+01 volume  0.18576E-02 ppm1      2.943 ppm2      8.282 CV     1
 ASSI {    7}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD21))
      2.300     0.700     0.700 peak     7 spectrum    2 weight  0.11000E+01 volume  0.37725E-02 ppm1      2.934 ppm2      7.753 CV     1
 ASSI {    8}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD21))
      3.400     1.400     1.400 peak     8 spectrum    2 weight  0.11000E+01 volume  0.37100E-02 ppm1      2.782 ppm2      7.749 CV     1
 ASSI {   13}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak    13 spectrum    2 weight  0.11000E+01 volume  0.22747E-02 ppm1      0.994 ppm2      8.542 CV     1
 ASSI {   15}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      3.000     3.000     3.000 peak    15 spectrum    2 weight  0.11000E+01 volume  0.14040E-02 ppm1      0.980 ppm2      8.833 CV     1
 ASSI {   16}
   (  segid "    " and resid 79   and name HG1%)
   (( segid "    " and resid 80   and name HN  ))
      3.700     1.700     1.700 peak    16 spectrum    2 weight  0.11000E+01 volume  0.23883E-02 ppm1      1.365 ppm2      8.847 CV     1
 ASSI {   17}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak    17 spectrum    2 weight  0.11000E+01 volume  0.39369E-02 ppm1      1.471 ppm2      8.442 CV     1
 ASSI {   18}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.800     0.800 peak    18 spectrum    2 weight  0.11000E+01 volume  0.23023E-02 ppm1      0.768 ppm2      8.446 CV     1
 ASSI {   19}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.800     0.800 peak    19 spectrum    2 weight  0.11000E+01 volume  0.50424E-02 ppm1      2.444 ppm2      8.442 CV     1
 ASSI {   20}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak    20 spectrum    2 weight  0.11000E+01 volume  0.36425E-02 ppm1      1.997 ppm2      7.307 CV     1
 ASSI {   21}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak    21 spectrum    2 weight  0.11000E+01 volume  0.31351E-02 ppm1      1.741 ppm2      7.303 CV     1
 ASSI {   22}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      4.300     2.300     1.700 peak    22 spectrum    2 weight  0.11000E+01 volume  0.79108E-03 ppm1      3.136 ppm2      8.865 CV     1
 ASSI {   32}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak    32 spectrum    2 weight  0.11000E+01 volume  0.88928E-03 ppm1      2.805 ppm2      8.844 CV     1
 ASSI {   33}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak    33 spectrum    2 weight  0.11000E+01 volume  0.97472E-03 ppm1      2.535 ppm2      8.844 CV     1
 ASSI {   34}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.400     1.400 peak    34 spectrum    2 weight  0.11000E+01 volume  0.28209E-02 ppm1      2.928 ppm2      7.742 CV     1
 ASSI {   35}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     0.900     0.900 peak    35 spectrum    2 weight  0.11000E+01 volume  0.24824E-02 ppm1      2.800 ppm2      7.739 CV     1
 ASSI {   36}
   (( segid "    " and resid 96   and name HG1 ))
   (( segid "    " and resid 96   and name HN  ))
      3.700     1.700     1.700 peak    36 spectrum    2 weight  0.11000E+01 volume  0.20154E-02 ppm1      2.430 ppm2      8.135 CV     1
 ASSI {   37}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HN  ))
      3.500     3.500     2.500 peak    37 spectrum    2 weight  0.11000E+01 volume  0.27668E-02 ppm1      2.315 ppm2      8.100 CV     1
 ASSI {   39}
   (( segid "    " and resid 37   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     0.800     0.800 peak    39 spectrum    2 weight  0.11000E+01 volume  0.42640E-02 ppm1      2.142 ppm2      7.695 CV     1
 ASSI {   42}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     3.000     3.000 peak    42 spectrum    2 weight  0.11000E+01 volume  0.40831E-02 ppm1      2.463 ppm2      7.852 CV     1
 ASSI {   43}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak    43 spectrum    2 weight  0.11000E+01 volume  0.29019E-02 ppm1      2.489 ppm2      8.858 CV     1
 ASSI {   44}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.100     0.500     0.500 peak    44 spectrum    2 weight  0.11000E+01 volume  0.28048E-02 ppm1      2.262 ppm2      8.858 CV     1
 ASSI {   45}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HE21))
      3.000     1.100     1.100 peak    45 spectrum    2 weight  0.11000E+01 volume  0.13429E-02 ppm1      2.493 ppm2      7.363 CV     1
 ASSI {   46}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HE21))
      3.100     1.200     1.200 peak    46 spectrum    2 weight  0.11000E+01 volume  0.10985E-02 ppm1      2.261 ppm2      7.356 CV     1
 ASSI {   49}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      3.200     1.200     1.200 peak    49 spectrum    2 weight  0.11000E+01 volume  0.30522E-02 ppm1      2.616 ppm2      8.187 CV     1
 ASSI {   50}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak    50 spectrum    2 weight  0.11000E+01 volume  0.33266E-02 ppm1      2.443 ppm2      8.188 CV     1
 ASSI {   52}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD22))
      4.700     2.800     1.300 peak    52 spectrum    2 weight  0.11000E+01 volume  0.78276E-03 ppm1      2.780 ppm2      6.737 CV     1
 ASSI {   53}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak    53 spectrum    2 weight  0.11000E+01 volume  0.35478E-02 ppm1      2.828 ppm2      7.704 CV     1
 ASSI {   54}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.600     0.900     0.900 peak    54 spectrum    2 weight  0.11000E+01 volume  0.31276E-02 ppm1      2.579 ppm2      7.709 CV     1
 ASSI {   55}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak    55 spectrum    2 weight  0.11000E+01 volume  0.58066E-02 ppm1      2.024 ppm2      8.248 CV     1
 ASSI {   56}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      2.300     2.300     3.700 peak    56 spectrum    2 weight  0.11000E+01 volume  0.10461E-01 ppm1      0.887 ppm2      8.244 CV     1
 ASSI {   57}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.600     1.600     1.600 peak    57 spectrum    2 weight  0.11000E+01 volume  0.12991E-02 ppm1      2.409 ppm2      8.721 CV     1
 OR {   57}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {   58}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak    58 spectrum    2 weight  0.11000E+01 volume  0.14739E-02 ppm1      2.117 ppm2      8.721 CV     1
 OR {   58}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {   59}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.200     1.300     1.300 peak    59 spectrum    2 weight  0.11000E+01 volume  0.31637E-02 ppm1      2.347 ppm2      8.112 CV     1
 OR {   59}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {   60}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak    60 spectrum    2 weight  0.11000E+01 volume  0.64734E-02 ppm1      2.090 ppm2      8.087 CV     1
 OR {   60}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {   61}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      2.400     2.400     3.600 peak    61 spectrum    2 weight  0.11000E+01 volume  0.51084E-02 ppm1      0.680 ppm2      8.108 CV     1
 ASSI {   62}
   (  segid "    " and resid 22   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      2.200     0.600     0.600 peak    62 spectrum    2 weight  0.11000E+01 volume  0.12809E-01 ppm1      1.476 ppm2      9.302 CV     1
 ASSI {   66}
   (( segid "    " and resid 43   and name HG11))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.900     0.900 peak    66 spectrum    2 weight  0.11000E+01 volume  0.35991E-02 ppm1      1.599 ppm2      8.550 CV     1
 ASSI {   67}
   (( segid "    " and resid 43   and name HG12))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak    67 spectrum    2 weight  0.11000E+01 volume  0.21839E-02 ppm1      1.197 ppm2      8.546 CV     1
 ASSI {   68}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak    68 spectrum    2 weight  0.11000E+01 volume  0.49025E-02 ppm1      0.879 ppm2      8.554 CV     1
 ASSI {   69}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      2.700     2.700     3.300 peak    69 spectrum    2 weight  0.11000E+01 volume  0.45337E-02 ppm1      0.958 ppm2      8.141 CV     1
 ASSI {   70}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak    70 spectrum    2 weight  0.11000E+01 volume  0.25209E-02 ppm1      0.737 ppm2      8.124 CV     1
 ASSI {   71}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 91   and name HN  ))
      2.100     0.600     0.600 peak    71 spectrum    2 weight  0.11000E+01 volume  0.12072E-01 ppm1      2.002 ppm2      8.023 CV     1
 ASSI {   72}
   (( segid "    " and resid 91   and name HG11))
   (( segid "    " and resid 91   and name HN  ))
      2.900     2.900     3.100 peak    72 spectrum    2 weight  0.11000E+01 volume  0.22989E-02 ppm1      1.613 ppm2      8.016 CV     1
 ASSI {   73}
   (( segid "    " and resid 91   and name HG12))
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak    73 spectrum    2 weight  0.11000E+01 volume  0.74275E-03 ppm1      1.179 ppm2      8.008 CV     1
 ASSI {   74}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
      3.300     1.300     1.300 peak    74 spectrum    2 weight  0.11000E+01 volume  0.30292E-02 ppm1      0.786 ppm2      8.012 CV     1
 ASSI {   75}
   (( segid "    " and resid 79   and name HB  ))
   (( segid "    " and resid 80   and name HN  ))
      3.300     1.400     1.400 peak    75 spectrum    2 weight  0.11000E+01 volume  0.22460E-02 ppm1      2.356 ppm2      8.825 CV     1
 ASSI {   76}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      2.500     2.500     3.500 peak    76 spectrum    2 weight  0.11000E+01 volume  0.48675E-02 ppm1      2.002 ppm2      8.837 CV     1
 ASSI {   77}
   (( segid "    " and resid 80   and name HD1 ))
   (( segid "    " and resid 80   and name HN  ))
      3.600     1.600     1.600 peak    77 spectrum    2 weight  0.11000E+01 volume  0.19183E-02 ppm1      1.679 ppm2      8.833 CV     1
 ASSI {   78}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.000     2.000 peak    78 spectrum    2 weight  0.11000E+01 volume  0.11584E-02 ppm1      1.365 ppm2      8.847 CV     1
 ASSI {   80}
   (( segid "    " and resid 79   and name HB  ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak    80 spectrum    2 weight  0.11000E+01 volume  0.34244E-02 ppm1      2.356 ppm2      8.521 CV     1
 ASSI {   82}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      3.300     1.400     1.400 peak    82 spectrum    2 weight  0.11000E+01 volume  0.68415E-02 ppm1      1.334 ppm2      8.887 CV     1
 ASSI {   83}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 82   and name HN  ))
      3.600     3.600     2.400 peak    83 spectrum    2 weight  0.11000E+01 volume  0.13717E-02 ppm1      2.068 ppm2      7.950 CV     1
 ASSI {   85}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak    85 spectrum    2 weight  0.11000E+01 volume  0.47582E-02 ppm1      2.024 ppm2      7.695 CV     1
 ASSI {   86}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak    86 spectrum    2 weight  0.11000E+01 volume  0.23437E-02 ppm1      2.028 ppm2      8.519 CV     1
 ASSI {   87}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.200     3.200     2.800 peak    87 spectrum    2 weight  0.11000E+01 volume  0.35901E-02 ppm1      0.883 ppm2      8.515 CV     1
 ASSI {   88}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak    88 spectrum    2 weight  0.11000E+01 volume  0.31332E-02 ppm1      1.975 ppm2      8.855 CV     1
 ASSI {   89}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      2.900     1.000     1.000 peak    89 spectrum    2 weight  0.11000E+01 volume  0.18523E-02 ppm1      0.923 ppm2      8.880 CV     1
 ASSI {   90}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.700     1.700     1.700 peak    90 spectrum    2 weight  0.11000E+01 volume  0.20504E-02 ppm1      0.786 ppm2      8.868 CV     1
 ASSI {   91}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak    91 spectrum    2 weight  0.11000E+01 volume  0.40335E-02 ppm1      1.966 ppm2      7.539 CV     1
 ASSI {   92}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.500     1.500 peak    92 spectrum    2 weight  0.11000E+01 volume  0.38582E-02 ppm1      0.927 ppm2      7.535 CV     1
 ASSI {   95}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak    95 spectrum    2 weight  0.11000E+01 volume  0.15313E-02 ppm1      2.740 ppm2      8.081 CV     1
 ASSI {   97}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
      2.000     0.500     0.500 peak    97 spectrum    2 weight  0.11000E+01 volume  0.18055E-01 ppm1      1.330 ppm2      8.087 CV     1
 ASSI {   98}
   (( segid "    " and resid 41   and name HG1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.800     3.800     2.200 peak    98 spectrum    2 weight  0.11000E+01 volume  0.33972E-03 ppm1      2.249 ppm2      8.575 CV     1
 ASSI {   99}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak    99 spectrum    2 weight  0.11000E+01 volume  0.43386E-02 ppm1      1.989 ppm2      7.601 CV     1
 ASSI {  100}
   (( segid "    " and resid 90   and name HG11))
   (( segid "    " and resid 90   and name HN  ))
      3.600     1.600     1.600 peak   100 spectrum    2 weight  0.11000E+01 volume  0.44039E-02 ppm1      1.418 ppm2      7.599 CV     1
 ASSI {  101}
   (( segid "    " and resid 90   and name HG12))
   (( segid "    " and resid 90   and name HN  ))
      2.200     0.600     0.600 peak   101 spectrum    2 weight  0.11000E+01 volume  0.37019E-02 ppm1      1.188 ppm2      7.597 CV     1
 ASSI {  102}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 90   and name HN  ))
      3.800     1.800     1.800 peak   102 spectrum    2 weight  0.11000E+01 volume  0.24344E-02 ppm1      0.781 ppm2      7.599 CV     1
 ASSI {  105}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   105 spectrum    2 weight  0.11000E+01 volume  0.44147E-02 ppm1      1.356 ppm2      8.310 CV     1
 ASSI {  106}
   (( segid "    " and resid 58   and name HG1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.400     1.400     1.400 peak   106 spectrum    2 weight  0.11000E+01 volume  0.23204E-02 ppm1      1.677 ppm2      7.314 CV     1
 ASSI {  108}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      3.800     1.800     1.800 peak   108 spectrum    2 weight  0.11000E+01 volume  0.20695E-02 ppm1      2.584 ppm2      7.486 CV     1
 ASSI {  109}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      3.400     1.500     1.500 peak   109 spectrum    2 weight  0.11000E+01 volume  0.36981E-02 ppm1      1.135 ppm2      8.016 CV     1
 ASSI {  110}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   110 spectrum    2 weight  0.11000E+01 volume  0.37870E-02 ppm1      1.364 ppm2      8.024 CV     1
 ASSI {  111}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      4.000     2.000     2.000 peak   111 spectrum    2 weight  0.11000E+01 volume  0.90700E-03 ppm1      2.771 ppm2      7.807 CV     1
 ASSI {  113}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HN  ))
      3.300     3.300     2.700 peak   113 spectrum    2 weight  0.11000E+01 volume  0.45206E-03 ppm1      2.714 ppm2      8.682 CV     1
 ASSI {  115}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.100     1.100 peak   115 spectrum    2 weight  0.11000E+01 volume  0.57219E-02 ppm1      2.081 ppm2      8.186 CV     1
 ASSI {  116}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak   116 spectrum    2 weight  0.11000E+01 volume  0.23312E-02 ppm1      2.148 ppm2      8.868 CV     1
 ASSI {  118}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   118 spectrum    2 weight  0.11000E+01 volume  0.18235E-02 ppm1      1.790 ppm2      8.244 CV     1
 ASSI {  119}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak   119 spectrum    2 weight  0.11000E+01 volume  0.13175E-02 ppm1      2.126 ppm2      8.434 CV     1
 OR {  119}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  120}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     3.000     3.000 peak   120 spectrum    2 weight  0.11000E+01 volume  0.22615E-02 ppm1      1.988 ppm2      7.349 CV     1
 ASSI {  121}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.100     1.100 peak   121 spectrum    2 weight  0.11000E+01 volume  0.33987E-02 ppm1      1.781 ppm2      7.345 CV     1
 ASSI {  122}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.300     1.300 peak   122 spectrum    2 weight  0.11000E+01 volume  0.21861E-02 ppm1      1.852 ppm2      7.702 CV     1
 ASSI {  123}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   123 spectrum    2 weight  0.11000E+01 volume  0.55008E-02 ppm1      2.444 ppm2      7.535 CV     1
 OR {  123}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  125}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HD22))
      4.900     3.000     1.100 peak   125 spectrum    2 weight  0.11000E+01 volume  0.33257E-03 ppm1      3.023 ppm2      6.935 CV     1
 ASSI {  126}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HD21))
      3.100     1.200     1.200 peak   126 spectrum    2 weight  0.11000E+01 volume  0.83774E-03 ppm1      2.586 ppm2      8.221 CV     1
 ASSI {  127}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD22))
      4.900     4.900     1.100 peak   127 spectrum    2 weight  0.11000E+01 volume  0.42312E-03 ppm1      2.935 ppm2      7.066 CV     1
 ASSI {  130}
   (  segid "    " and resid 22   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak   130 spectrum    2 weight  0.11000E+01 volume  0.27601E-02 ppm1      1.462 ppm2      7.349 CV     1
 ASSI {    2}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak     2 spectrum    3 weight  0.11000E+01 volume  0.15357E-02 ppm1      8.719 ppm2      9.311 CV     1
 ASSI {    3}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.500     2.500     1.500 peak     3 spectrum    3 weight  0.11000E+01 volume  0.31348E-03 ppm1      8.724 ppm2      8.095 CV     1
 ASSI {    4}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak     4 spectrum    3 weight  0.11000E+01 volume  0.14178E-02 ppm1      8.719 ppm2      7.794 CV     1
 ASSI {    5}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      3.500     1.500     1.500 peak     5 spectrum    3 weight  0.11000E+01 volume  0.13453E-02 ppm1      8.720 ppm2      7.522 CV     1
 ASSI {    7}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HE% )
      4.500     2.600     1.500 peak     7 spectrum    3 weight  0.11000E+01 volume  0.48003E-03 ppm1      8.718 ppm2      6.876 CV     1
 ASSI {    8}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      3.200     1.200     1.200 peak     8 spectrum    3 weight  0.11000E+01 volume  0.15132E-02 ppm1      8.719 ppm2      6.648 CV     1
 ASSI {    9}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      5.000     3.200     1.000 peak     9 spectrum    3 weight  0.11000E+01 volume  0.56928E-03 ppm1      8.719 ppm2      0.694 CV     1
 ASSI {   10}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      4.900     3.000     1.100 peak    10 spectrum    3 weight  0.11000E+01 volume  0.65025E-03 ppm1      8.718 ppm2      0.928 CV     1
 ASSI {   11}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      4.200     2.200     1.800 peak    11 spectrum    3 weight  0.11000E+01 volume  0.76393E-03 ppm1      8.720 ppm2      1.152 CV     1
 ASSI {   13}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HB% )
      4.700     2.800     1.300 peak    13 spectrum    3 weight  0.11000E+01 volume  0.55272E-03 ppm1      8.721 ppm2      1.492 CV     1
 ASSI {   14}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      5.000     3.100     1.000 peak    14 spectrum    3 weight  0.11000E+01 volume  0.32764E-03 ppm1      8.709 ppm2      1.833 CV     1
 ASSI {   16}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.600     0.800     0.800 peak    16 spectrum    3 weight  0.11000E+01 volume  0.22882E-02 ppm1      8.719 ppm2      3.145 CV     1
 ASSI {   17}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.200     2.300     1.800 peak    17 spectrum    3 weight  0.11000E+01 volume  0.29754E-03 ppm1      8.720 ppm2      3.693 CV     1
 ASSI {   18}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.300     2.300     1.700 peak    18 spectrum    3 weight  0.11000E+01 volume  0.37211E-03 ppm1      8.721 ppm2      3.921 CV     1
 ASSI {   19}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak    19 spectrum    3 weight  0.11000E+01 volume  0.12088E-02 ppm1      8.714 ppm2      4.160 CV     1
 ASSI {   20}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak    20 spectrum    3 weight  0.11000E+01 volume  0.10777E-02 ppm1      8.721 ppm2      4.299 CV     1
 ASSI {   21}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.500     1.500 peak    21 spectrum    3 weight  0.11000E+01 volume  0.68781E-03 ppm1      8.715 ppm2      4.392 CV     1
 ASSI {   24}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak    24 spectrum    3 weight  0.11000E+01 volume  0.12122E-02 ppm1      8.167 ppm2      8.510 CV     1
 ASSI {   34}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak    34 spectrum    3 weight  0.11000E+01 volume  0.13547E-02 ppm1      8.228 ppm2      8.524 CV     1
 ASSI {   36}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      4.800     4.800     1.200 peak    36 spectrum    3 weight  0.11000E+01 volume  0.50510E-03 ppm1      8.227 ppm2      2.315 CV     1
 ASSI {   37}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     3.000     3.000 peak    37 spectrum    3 weight  0.11000E+01 volume  0.21345E-02 ppm1      8.226 ppm2      4.431 CV     1
 ASSI {   38}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak    38 spectrum    3 weight  0.11000E+01 volume  0.80663E-03 ppm1      8.227 ppm2      4.203 CV     1
 ASSI {   39}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     3.800     2.200 peak    39 spectrum    3 weight  0.11000E+01 volume  0.61008E-03 ppm1      8.226 ppm2      3.966 CV     1
 ASSI {   40}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.800     0.900     0.900 peak    40 spectrum    3 weight  0.11000E+01 volume  0.47187E-02 ppm1      8.227 ppm2      3.285 CV     1
 ASSI {   41}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     3.400     2.600 peak    41 spectrum    3 weight  0.11000E+01 volume  0.27723E-02 ppm1      8.227 ppm2      2.135 CV     1
 ASSI {   43}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.600     3.600     2.400 peak    43 spectrum    3 weight  0.11000E+01 volume  0.10644E-02 ppm1      8.873 ppm2      8.751 CV     1
 ASSI {   44}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.700     4.700     1.300 peak    44 spectrum    3 weight  0.11000E+01 volume  0.34967E-03 ppm1      8.872 ppm2      8.317 CV     1
 ASSI {   45}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak    45 spectrum    3 weight  0.11000E+01 volume  0.17688E-02 ppm1      8.874 ppm2      8.102 CV     1
 ASSI {   46}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD21))
      3.400     1.400     1.400 peak    46 spectrum    3 weight  0.11000E+01 volume  0.70448E-03 ppm1      8.878 ppm2      7.557 CV     1
 ASSI {   48}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak    48 spectrum    3 weight  0.11000E+01 volume  0.37307E-02 ppm1      8.874 ppm2      4.405 CV     1
 ASSI {   49}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.000     2.000     2.000 peak    49 spectrum    3 weight  0.11000E+01 volume  0.63336E-03 ppm1      8.873 ppm2      3.939 CV     1
 ASSI {   50}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.500     1.500     1.500 peak    50 spectrum    3 weight  0.11000E+01 volume  0.88674E-03 ppm1      8.873 ppm2      3.688 CV     1
 ASSI {   51}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.400     1.400 peak    51 spectrum    3 weight  0.11000E+01 volume  0.95052E-03 ppm1      8.874 ppm2      3.393 CV     1
 ASSI {   53}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.800     1.000     1.000 peak    53 spectrum    3 weight  0.11000E+01 volume  0.21777E-02 ppm1      8.874 ppm2      2.892 CV     1
 ASSI {   54}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 55   and name HG2%)
      3.700     3.700     2.300 peak    54 spectrum    3 weight  0.11000E+01 volume  0.12881E-02 ppm1      8.873 ppm2      1.379 CV     1
 ASSI {   55}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      4.500     2.600     1.500 peak    55 spectrum    3 weight  0.11000E+01 volume  0.10071E-02 ppm1      8.875 ppm2      1.163 CV     1
 ASSI {   57}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak    57 spectrum    3 weight  0.11000E+01 volume  0.65476E-03 ppm1      8.874 ppm2      8.528 CV     1
 ASSI {   62}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak    62 spectrum    3 weight  0.11000E+01 volume  0.13426E-02 ppm1      8.535 ppm2      8.287 CV     1
 ASSI {   63}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      4.000     2.000     2.000 peak    63 spectrum    3 weight  0.11000E+01 volume  0.61407E-03 ppm1      8.535 ppm2      7.583 CV     1
 ASSI {   64}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.700     2.800     1.300 peak    64 spectrum    3 weight  0.11000E+01 volume  0.39015E-03 ppm1      8.535 ppm2      6.866 CV     1
 ASSI {   67}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.200     3.200     2.800 peak    67 spectrum    3 weight  0.11000E+01 volume  0.13935E-02 ppm1      8.534 ppm2      4.193 CV     1
 ASSI {   68}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HD2 ))
      4.900     3.000     1.100 peak    68 spectrum    3 weight  0.11000E+01 volume  0.17452E-03 ppm1      8.536 ppm2      7.075 CV     1
 ASSI {   69}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.600     0.800     0.800 peak    69 spectrum    3 weight  0.11000E+01 volume  0.31671E-02 ppm1      8.534 ppm2      3.302 CV     1
 ASSI {   71}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.700     1.700     1.700 peak    71 spectrum    3 weight  0.11000E+01 volume  0.24247E-02 ppm1      8.535 ppm2      2.774 CV     1
 ASSI {   72}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak    72 spectrum    3 weight  0.11000E+01 volume  0.13553E-02 ppm1      8.535 ppm2      2.513 CV     1
 ASSI {   73}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
      4.600     2.700     1.400 peak    73 spectrum    3 weight  0.11000E+01 volume  0.40567E-03 ppm1      8.536 ppm2      0.868 CV     1
 ASSI {   78}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.900     0.900 peak    78 spectrum    3 weight  0.11000E+01 volume  0.29029E-02 ppm1      7.376 ppm2      7.714 CV     1
 ASSI {   80}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak    80 spectrum    3 weight  0.11000E+01 volume  0.30832E-02 ppm1      7.375 ppm2      8.501 CV     1
 ASSI {   81}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak    81 spectrum    3 weight  0.11000E+01 volume  0.53311E-03 ppm1      7.376 ppm2      8.862 CV     1
 ASSI {   82}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak    82 spectrum    3 weight  0.11000E+01 volume  0.11350E-02 ppm1      7.374 ppm2      3.731 CV     1
 ASSI {   84}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     3.300     2.700 peak    84 spectrum    3 weight  0.11000E+01 volume  0.18560E-02 ppm1      7.376 ppm2      4.333 CV     1
 ASSI {   85}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.200     1.200 peak    85 spectrum    3 weight  0.11000E+01 volume  0.15624E-02 ppm1      7.377 ppm2      4.213 CV     1
 ASSI {   86}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.800     3.800     2.200 peak    86 spectrum    3 weight  0.11000E+01 volume  0.46691E-03 ppm1      7.376 ppm2      4.450 CV     1
 ASSI {   87}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.300     4.300     1.700 peak    87 spectrum    3 weight  0.11000E+01 volume  0.77254E-03 ppm1      7.377 ppm2      2.289 CV     1
 ASSI {   96}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak    96 spectrum    3 weight  0.11000E+01 volume  0.42569E-03 ppm1      9.313 ppm2      8.101 CV     1
 ASSI {   98}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     1.500     1.500 peak    98 spectrum    3 weight  0.11000E+01 volume  0.63746E-03 ppm1      9.313 ppm2      4.407 CV     1
 ASSI {   99}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     3.600     2.400 peak    99 spectrum    3 weight  0.11000E+01 volume  0.74726E-03 ppm1      9.312 ppm2      4.176 CV     1
 ASSI {  100}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     3.500     2.500 peak   100 spectrum    3 weight  0.11000E+01 volume  0.10026E-02 ppm1      9.312 ppm2      3.875 CV     1
 ASSI {  101}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.400     1.400 peak   101 spectrum    3 weight  0.11000E+01 volume  0.97379E-03 ppm1      9.313 ppm2      3.747 CV     1
 ASSI {  102}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      4.100     4.100     1.900 peak   102 spectrum    3 weight  0.11000E+01 volume  0.82498E-03 ppm1      9.312 ppm2      3.133 CV     1
 ASSI {  103}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     2.800     3.200 peak   103 spectrum    3 weight  0.11000E+01 volume  0.69724E-03 ppm1      9.312 ppm2      2.902 CV     1
 ASSI {  104}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      4.100     2.100     1.900 peak   104 spectrum    3 weight  0.11000E+01 volume  0.52818E-03 ppm1      9.315 ppm2      1.848 CV     1
 ASSI {  106}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      3.400     1.400     1.400 peak   106 spectrum    3 weight  0.11000E+01 volume  0.13740E-02 ppm1      9.310 ppm2      1.157 CV     1
 ASSI {  107}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.300     1.300     1.300 peak   107 spectrum    3 weight  0.11000E+01 volume  0.14542E-02 ppm1      9.312 ppm2      0.922 CV     1
 ASSI {  108}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      4.600     4.600     1.400 peak   108 spectrum    3 weight  0.11000E+01 volume  0.44259E-03 ppm1      9.312 ppm2      0.702 CV     1
 ASSI {  109}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.700     2.700     1.300 peak   109 spectrum    3 weight  0.11000E+01 volume  0.34033E-03 ppm1      9.312 ppm2      7.158 CV     1
 ASSI {  110}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.000     0.500     0.500 peak   110 spectrum    3 weight  0.11000E+01 volume  0.17136E-01 ppm1      8.548 ppm2      8.549 CV     1
 ASSI {  112}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak   112 spectrum    3 weight  0.11000E+01 volume  0.30191E-02 ppm1      8.547 ppm2      7.690 CV     1
 ASSI {  114}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak   114 spectrum    3 weight  0.11000E+01 volume  0.85318E-03 ppm1      8.548 ppm2      4.554 CV     1
 ASSI {  115}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.600     3.600     2.400 peak   115 spectrum    3 weight  0.11000E+01 volume  0.93038E-03 ppm1      8.549 ppm2      4.278 CV     1
 ASSI {  117}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.000     1.000 peak   117 spectrum    3 weight  0.11000E+01 volume  0.20286E-02 ppm1      8.548 ppm2      3.676 CV     1
 ASSI {  118}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.200     1.300     1.300 peak   118 spectrum    3 weight  0.11000E+01 volume  0.18465E-02 ppm1      8.547 ppm2      3.063 CV     1
 ASSI {  120}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.100     3.100     2.900 peak   120 spectrum    3 weight  0.11000E+01 volume  0.10041E-02 ppm1      8.548 ppm2      2.623 CV     1
 ASSI {  121}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.500     2.500     3.500 peak   121 spectrum    3 weight  0.11000E+01 volume  0.34023E-02 ppm1      8.546 ppm2      2.066 CV     1
 ASSI {  126}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.000     0.500     0.500 peak   126 spectrum    3 weight  0.11000E+01 volume  0.14944E-01 ppm1      8.020 ppm2      7.998 CV     1
 ASSI {  127}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     2.800     3.200 peak   127 spectrum    3 weight  0.11000E+01 volume  0.17909E-02 ppm1      8.021 ppm2      7.575 CV     1
 ASSI {  128}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.800     1.800     1.800 peak   128 spectrum    3 weight  0.11000E+01 volume  0.47530E-03 ppm1      8.020 ppm2      4.363 CV     1
 ASSI {  135}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HG11))
      4.700     2.800     1.300 peak   135 spectrum    3 weight  0.11000E+01 volume  0.92147E-03 ppm1      8.020 ppm2      1.396 CV     1
 ASSI {  139}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.100     1.100 peak   139 spectrum    3 weight  0.11000E+01 volume  0.15994E-02 ppm1      8.148 ppm2      8.364 CV     1
 ASSI {  141}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak   141 spectrum    3 weight  0.11000E+01 volume  0.15236E-02 ppm1      8.149 ppm2      7.553 CV     1
 ASSI {  142}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak   142 spectrum    3 weight  0.11000E+01 volume  0.38374E-03 ppm1      8.147 ppm2      4.366 CV     1
 ASSI {  143}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     3.700     2.300 peak   143 spectrum    3 weight  0.11000E+01 volume  0.67774E-03 ppm1      8.149 ppm2      4.115 CV     1
 ASSI {  144}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     3.100     2.900 peak   144 spectrum    3 weight  0.11000E+01 volume  0.16841E-02 ppm1      8.148 ppm2      3.563 CV     1
 ASSI {  145}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.700     3.700     2.300 peak   145 spectrum    3 weight  0.11000E+01 volume  0.54034E-03 ppm1      8.149 ppm2      3.230 CV     1
 ASSI {  146}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.000     3.000     3.000 peak   146 spectrum    3 weight  0.11000E+01 volume  0.13455E-02 ppm1      8.147 ppm2      2.016 CV     1
 ASSI {  151}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      2.700     0.900     0.900 peak   151 spectrum    3 weight  0.11000E+01 volume  0.24823E-02 ppm1      8.146 ppm2      1.685 CV     1
 ASSI {  154}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      3.800     1.800     1.800 peak   154 spectrum    3 weight  0.11000E+01 volume  0.11286E-02 ppm1      8.120 ppm2      7.912 CV     1
 ASSI {  159}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.000     3.000     3.000 peak   159 spectrum    3 weight  0.11000E+01 volume  0.46650E-03 ppm1      8.115 ppm2      2.041 CV     1
 ASSI {  160}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      2.600     0.800     0.800 peak   160 spectrum    3 weight  0.11000E+01 volume  0.84576E-02 ppm1      8.115 ppm2      1.796 CV     1
 ASSI {  165}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.200     3.200     2.800 peak   165 spectrum    3 weight  0.11000E+01 volume  0.15490E-02 ppm1      7.999 ppm2      3.981 CV     1
 ASSI {  170}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB  ))
      2.900     1.100     1.100 peak   170 spectrum    3 weight  0.11000E+01 volume  0.22459E-02 ppm1      8.003 ppm2      2.007 CV     1
 ASSI {  171}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.000     3.000     3.000 peak   171 spectrum    3 weight  0.11000E+01 volume  0.27484E-02 ppm1      8.003 ppm2      0.838 CV     1
 ASSI {  172}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG12))
      4.500     2.500     1.500 peak   172 spectrum    3 weight  0.11000E+01 volume  0.48559E-03 ppm1      8.004 ppm2      1.213 CV     1
 ASSI {  174}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      2.500     0.800     0.800 peak   174 spectrum    3 weight  0.11000E+01 volume  0.52621E-02 ppm1      8.004 ppm2      1.663 CV     1
 OR {  174}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI {  175}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.200     3.200     2.800 peak   175 spectrum    3 weight  0.11000E+01 volume  0.11074E-02 ppm1      8.004 ppm2      7.731 CV     1
 ASSI {  180}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
      4.100     2.100     1.900 peak   180 spectrum    3 weight  0.11000E+01 volume  0.57559E-03 ppm1      8.394 ppm2      3.908 CV     1
 ASSI {  181}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HE22))
      1.700     0.300     0.500 peak   181 spectrum    3 weight  0.11000E+01 volume  0.26115E-01 ppm1      7.375 ppm2      6.968 CV     1
 ASSI {  183}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HA  ))
      4.400     4.400     1.600 peak   183 spectrum    3 weight  0.11000E+01 volume  0.55313E-03 ppm1      7.378 ppm2      4.388 CV     1
 ASSI {  187}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HB1 ))
      3.300     1.300     1.300 peak   187 spectrum    3 weight  0.11000E+01 volume  0.66965E-03 ppm1      7.369 ppm2      2.163 CV     1
 ASSI {  188}
   (( segid "    " and resid 34   and name HE21))
   (( segid "    " and resid 34   and name HB2 ))
      4.000     2.000     2.000 peak   188 spectrum    3 weight  0.11000E+01 volume  0.66211E-03 ppm1      7.369 ppm2      1.902 CV     1
 ASSI {  191}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak   191 spectrum    3 weight  0.11000E+01 volume  0.83777E-03 ppm1      7.375 ppm2      8.118 CV     1
 ASSI {  192}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak   192 spectrum    3 weight  0.11000E+01 volume  0.35837E-03 ppm1      7.375 ppm2      8.717 CV     1
 ASSI {  193}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak   193 spectrum    3 weight  0.11000E+01 volume  0.24353E-02 ppm1      7.374 ppm2      9.309 CV     1
 ASSI {  194}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HD% )
      3.700     3.700     2.300 peak   194 spectrum    3 weight  0.11000E+01 volume  0.13095E-02 ppm1      7.376 ppm2      6.993 CV     1
 ASSI {  196}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   196 spectrum    3 weight  0.11000E+01 volume  0.31434E-02 ppm1      7.372 ppm2      4.239 CV     1
 ASSI {  197}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.900     2.900     3.100 peak   197 spectrum    3 weight  0.11000E+01 volume  0.43826E-02 ppm1      7.374 ppm2      3.951 CV     1
 ASSI {  198}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.400     4.400     1.600 peak   198 spectrum    3 weight  0.11000E+01 volume  0.40306E-03 ppm1      7.376 ppm2      3.098 CV     1
 ASSI {  203}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.300     3.300     2.700 peak   203 spectrum    3 weight  0.11000E+01 volume  0.13939E-02 ppm1      7.374 ppm2      3.818 CV     1
 ASSI {  204}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     2.700     3.300 peak   204 spectrum    3 weight  0.11000E+01 volume  0.30373E-02 ppm1      7.375 ppm2      7.180 CV     1
 ASSI {  207}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HD22))
      1.800     0.400     0.400 peak   207 spectrum    3 weight  0.11000E+01 volume  0.11238E-01 ppm1      7.583 ppm2      6.861 CV     1
 ASSI {  209}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HB1 ))
      3.300     1.300     1.300 peak   209 spectrum    3 weight  0.11000E+01 volume  0.11768E-02 ppm1      7.586 ppm2      2.800 CV     1
 ASSI {  210}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HB2 ))
      3.900     3.900     2.100 peak   210 spectrum    3 weight  0.11000E+01 volume  0.91371E-03 ppm1      7.579 ppm2      2.553 CV     1
 ASSI {  213}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HB1 ))
      4.100     2.100     1.900 peak   213 spectrum    3 weight  0.11000E+01 volume  0.10758E-02 ppm1      6.864 ppm2      2.810 CV     1
 ASSI {  214}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HB2 ))
      4.400     4.400     1.600 peak   214 spectrum    3 weight  0.11000E+01 volume  0.77557E-03 ppm1      6.861 ppm2      2.545 CV     1
 ASSI {  219}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HA  ))
      5.200     5.200     0.800 peak   219 spectrum    3 weight  0.11000E+01 volume  0.54127E-03 ppm1      6.976 ppm2      4.383 CV     1
 ASSI {  221}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HG1 ))
      4.400     2.400     1.600 peak   221 spectrum    3 weight  0.11000E+01 volume  0.47899E-03 ppm1      6.977 ppm2      2.494 CV     1
 ASSI {  222}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HG2 ))
      4.500     2.600     1.500 peak   222 spectrum    3 weight  0.11000E+01 volume  0.36435E-03 ppm1      6.976 ppm2      2.249 CV     1
 ASSI {  223}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HB2 ))
      5.400     3.600     0.600 peak   223 spectrum    3 weight  0.11000E+01 volume  0.38586E-03 ppm1      6.976 ppm2      1.932 CV     1
 ASSI {  224}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HB1 ))
      4.700     2.800     1.300 peak   224 spectrum    3 weight  0.11000E+01 volume  0.32502E-03 ppm1      6.979 ppm2      2.142 CV     1
 ASSI {  228}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.000     3.000     3.000 peak   228 spectrum    3 weight  0.11000E+01 volume  0.22302E-02 ppm1      8.211 ppm2      4.289 CV     1
 ASSI {  229}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA1 ))
      2.500     0.800     0.800 peak   229 spectrum    3 weight  0.11000E+01 volume  0.77072E-02 ppm1      8.211 ppm2      3.914 CV     1
 ASSI {  231}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.500     1.500     1.500 peak   231 spectrum    3 weight  0.11000E+01 volume  0.13930E-02 ppm1      8.212 ppm2      1.676 CV     1
 ASSI {  250}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA1 ))
      2.900     1.000     1.000 peak   250 spectrum    3 weight  0.11000E+01 volume  0.20085E-02 ppm1      8.753 ppm2      3.914 CV     1
 ASSI {  252}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      5.200     5.200     0.800 peak   252 spectrum    3 weight  0.11000E+01 volume  0.33110E-03 ppm1      8.755 ppm2      1.377 CV     1
 ASSI {  253}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      4.700     2.800     1.300 peak   253 spectrum    3 weight  0.11000E+01 volume  0.35764E-03 ppm1      7.377 ppm2      0.916 CV     1
 ASSI {  254}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      5.000     5.000     1.000 peak   254 spectrum    3 weight  0.11000E+01 volume  0.32554E-03 ppm1      7.375 ppm2      1.156 CV     1
 ASSI {  256}
   (( segid "    " and resid 18   and name HD21))
   (( segid "    " and resid 18   and name HD22))
      1.700     0.300     0.500 peak   256 spectrum    3 weight  0.11000E+01 volume  0.13566E-01 ppm1      7.565 ppm2      7.399 CV     1
 ASSI {  261}
   (( segid "    " and resid 18   and name HD21))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   261 spectrum    3 weight  0.11000E+01 volume  0.17549E-02 ppm1      7.559 ppm2      4.390 CV     1
 ASSI {  264}
   (( segid "    " and resid 18   and name HD21))
   (( segid "    " and resid 18   and name HB1 ))
      3.600     1.600     1.600 peak   264 spectrum    3 weight  0.11000E+01 volume  0.69997E-03 ppm1      7.564 ppm2      3.131 CV     1
 ASSI {  265}
   (( segid "    " and resid 18   and name HD21))
   (( segid "    " and resid 18   and name HB2 ))
      3.900     3.900     2.100 peak   265 spectrum    3 weight  0.11000E+01 volume  0.83222E-03 ppm1      7.561 ppm2      2.906 CV     1
 ASSI {  268}
   (( segid "    " and resid 18   and name HD21))
   (  segid "    " and resid 55   and name HG2%)
      3.400     1.500     1.500 peak   268 spectrum    3 weight  0.11000E+01 volume  0.10126E-02 ppm1      7.566 ppm2      1.384 CV     1
 ASSI {  269}
   (( segid "    " and resid 18   and name HD21))
   (  segid "    " and resid 51   and name HG1%)
      3.000     1.100     1.100 peak   269 spectrum    3 weight  0.11000E+01 volume  0.97003E-03 ppm1      7.566 ppm2      1.160 CV     1
 ASSI {  270}
   (( segid "    " and resid 18   and name HD22))
   (  segid "    " and resid 51   and name HG1%)
      4.400     2.500     1.600 peak   270 spectrum    3 weight  0.11000E+01 volume  0.71571E-03 ppm1      7.400 ppm2      1.153 CV     1
 ASSI {  271}
   (( segid "    " and resid 18   and name HD22))
   (  segid "    " and resid 55   and name HG2%)
      3.100     1.200     1.200 peak   271 spectrum    3 weight  0.11000E+01 volume  0.94138E-03 ppm1      7.405 ppm2      1.380 CV     1
 ASSI {  272}
   (( segid "    " and resid 18   and name HD22))
   (( segid "    " and resid 18   and name HB2 ))
      4.800     4.800     1.200 peak   272 spectrum    3 weight  0.11000E+01 volume  0.35942E-03 ppm1      7.405 ppm2      2.896 CV     1
 ASSI {  273}
   (( segid "    " and resid 18   and name HD22))
   (( segid "    " and resid 18   and name HB1 ))
      4.700     2.800     1.300 peak   273 spectrum    3 weight  0.11000E+01 volume  0.39131E-03 ppm1      7.404 ppm2      3.129 CV     1
 ASSI {  275}
   (( segid "    " and resid 18   and name HD22))
   (( segid "    " and resid 18   and name HA  ))
      4.500     2.500     1.500 peak   275 spectrum    3 weight  0.11000E+01 volume  0.12860E-02 ppm1      7.400 ppm2      4.390 CV     1
 ASSI {  278}
   (( segid "    " and resid 18   and name HD22))
   (( segid "    " and resid 18   and name HN  ))
      4.600     2.600     1.400 peak   278 spectrum    3 weight  0.11000E+01 volume  0.29817E-03 ppm1      7.406 ppm2      8.874 CV     1
 ASSI {  280}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HE22))
      1.700     0.400     0.500 peak   280 spectrum    3 weight  0.11000E+01 volume  0.28532E-01 ppm1      7.456 ppm2      6.817 CV     1
 ASSI {  283}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HG1 ))
      3.200     1.300     1.300 peak   283 spectrum    3 weight  0.11000E+01 volume  0.14554E-02 ppm1      7.456 ppm2      2.423 CV     1
 ASSI {  285}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HB1 ))
      4.100     4.100     1.900 peak   285 spectrum    3 weight  0.11000E+01 volume  0.45098E-03 ppm1      7.454 ppm2      1.953 CV     1
 ASSI {  288}
   (( segid "    " and resid 96   and name HE21))
   (( segid "    " and resid 96   and name HA  ))
      4.800     2.800     1.200 peak   288 spectrum    3 weight  0.11000E+01 volume  0.23115E-03 ppm1      7.457 ppm2      4.156 CV     1
 ASSI {  292}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 96   and name HG1 ))
      4.500     4.500     1.500 peak   292 spectrum    3 weight  0.11000E+01 volume  0.64824E-03 ppm1      6.839 ppm2      2.394 CV     1
 ASSI {  294}
   (( segid "    " and resid 96   and name HE22))
   (( segid "    " and resid 96   and name HB1 ))
      5.100     5.100     0.900 peak   294 spectrum    3 weight  0.11000E+01 volume  0.32450E-03 ppm1      6.820 ppm2      1.953 CV     1
 ASSI {  302}
   (( segid "    " and resid 27   and name HD21))
   (( segid "    " and resid 27   and name HD22))
      1.900     0.500     0.500 peak   302 spectrum    3 weight  0.11000E+01 volume  0.88249E-02 ppm1      7.749 ppm2      7.049 CV     1
 ASSI {  304}
   (( segid "    " and resid 27   and name HD21))
   (( segid "    " and resid 27   and name HB2 ))
      3.700     3.700     2.300 peak   304 spectrum    3 weight  0.11000E+01 volume  0.33278E-03 ppm1      7.745 ppm2      2.834 CV     1
 ASSI {  310}
   (( segid "    " and resid 27   and name HD22))
   (( segid "    " and resid 27   and name HD21))
      2.100     2.100     3.900 peak   310 spectrum    3 weight  0.11000E+01 volume  0.63108E-02 ppm1      7.033 ppm2      7.770 CV     1
 OR {  310}
   (( segid "    " and resid 27   and name HD22))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  313}
   (( segid "    " and resid 27   and name HD22))
   (( segid "    " and resid 27   and name HB2 ))
      5.000     5.000     1.000 peak   313 spectrum    3 weight  0.11000E+01 volume  0.32271E-03 ppm1      7.036 ppm2      2.853 CV     1
 ASSI {  319}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 42   and name HD22))
      1.600     0.300     0.600 peak   319 spectrum    3 weight  0.11000E+01 volume  0.16430E-01 ppm1      8.221 ppm2      6.933 CV     1
 ASSI {  320}
   (( segid "    " and resid 42   and name HD21))
   (  segid "    " and resid 38   and name HD% )
      3.500     3.500     2.500 peak   320 spectrum    3 weight  0.11000E+01 volume  0.31117E-03 ppm1      8.221 ppm2      7.142 CV     1
 ASSI {  321}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 38   and name HN  ))
      5.000     3.200     1.000 peak   321 spectrum    3 weight  0.11000E+01 volume  0.33372E-03 ppm1      8.237 ppm2      7.770 CV     1
 ASSI {  322}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 91   and name HN  ))
      3.800     1.800     1.800 peak   322 spectrum    3 weight  0.11000E+01 volume  0.56425E-03 ppm1      8.221 ppm2      8.026 CV     1
 ASSI {  323}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 39   and name HN  ))
      3.100     3.100     2.900 peak   323 spectrum    3 weight  0.11000E+01 volume  0.71496E-03 ppm1      8.221 ppm2      8.444 CV     1
 ASSI {  325}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 42   and name HA  ))
      4.500     4.500     1.500 peak   325 spectrum    3 weight  0.11000E+01 volume  0.65465E-03 ppm1      8.221 ppm2      4.585 CV     1
 ASSI {  326}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 42   and name HB1 ))
      3.100     1.200     1.200 peak   326 spectrum    3 weight  0.11000E+01 volume  0.81480E-03 ppm1      8.221 ppm2      3.051 CV     1
 ASSI {  327}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 39   and name HB2 ))
      3.800     1.800     1.800 peak   327 spectrum    3 weight  0.11000E+01 volume  0.49566E-03 ppm1      8.237 ppm2      2.725 CV     1
 ASSI {  329}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 41   and name HG1 ))
      4.300     4.300     1.700 peak   329 spectrum    3 weight  0.11000E+01 volume  0.27950E-03 ppm1      8.221 ppm2      2.260 CV     1
 ASSI {  330}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 91   and name HB  ))
      4.400     2.400     1.600 peak   330 spectrum    3 weight  0.11000E+01 volume  0.32774E-03 ppm1      8.229 ppm2      2.013 CV     1
 ASSI {  331}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 90   and name HG11))
      4.700     4.700     1.300 peak   331 spectrum    3 weight  0.11000E+01 volume  0.26818E-03 ppm1      8.227 ppm2      1.433 CV     1
 ASSI {  332}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 91   and name HG12))
      4.200     2.200     1.800 peak   332 spectrum    3 weight  0.11000E+01 volume  0.25517E-03 ppm1      8.226 ppm2      1.206 CV     1
 ASSI {  335}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak   335 spectrum    3 weight  0.11000E+01 volume  0.52050E-03 ppm1      6.946 ppm2      8.018 CV     1
 ASSI {  336}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 40   and name HN  ))
      3.000     3.000     3.000 peak   336 spectrum    3 weight  0.11000E+01 volume  0.51916E-03 ppm1      6.946 ppm2      8.471 CV     1
 ASSI {  339}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 42   and name HA  ))
      4.700     2.800     1.300 peak   339 spectrum    3 weight  0.11000E+01 volume  0.58909E-03 ppm1      6.945 ppm2      4.561 CV     1
 ASSI {  342}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 39   and name HB2 ))
      3.500     3.500     2.500 peak   342 spectrum    3 weight  0.11000E+01 volume  0.58856E-03 ppm1      6.946 ppm2      2.722 CV     1
 ASSI {  344}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 91   and name HB  ))
      4.800     4.800     1.200 peak   344 spectrum    3 weight  0.11000E+01 volume  0.23807E-03 ppm1      6.943 ppm2      2.038 CV     1
 ASSI {  345}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 90   and name HG11))
      5.000     5.000     1.000 peak   345 spectrum    3 weight  0.11000E+01 volume  0.30079E-03 ppm1      6.952 ppm2      1.431 CV     1
 ASSI {  346}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak   346 spectrum    3 weight  0.11000E+01 volume  0.64910E-03 ppm1      6.943 ppm2      8.567 CV     1
 ASSI {  347}
   (( segid "    " and resid 42   and name HD22))
   (  segid "    " and resid 38   and name HD% )
      4.600     4.600     1.400 peak   347 spectrum    3 weight  0.11000E+01 volume  0.39131E-03 ppm1      6.945 ppm2      7.152 CV     1
 ASSI {  349}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak   349 spectrum    3 weight  0.11000E+01 volume  0.27185E-02 ppm1      8.506 ppm2      8.877 CV     1
 ASSI {  352}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     3.600     2.400 peak   352 spectrum    3 weight  0.11000E+01 volume  0.41659E-03 ppm1      8.506 ppm2      7.604 CV     1
 ASSI {  354}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HD% )
      3.900     3.900     2.100 peak   354 spectrum    3 weight  0.11000E+01 volume  0.45758E-03 ppm1      8.507 ppm2      7.144 CV     1
 ASSI {  356}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.300     1.300 peak   356 spectrum    3 weight  0.11000E+01 volume  0.15258E-02 ppm1      8.506 ppm2      4.380 CV     1
 ASSI {  357}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.500     0.800     0.800 peak   357 spectrum    3 weight  0.11000E+01 volume  0.17992E-02 ppm1      8.506 ppm2      4.116 CV     1
 ASSI {  358}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.400     2.400     3.600 peak   358 spectrum    3 weight  0.11000E+01 volume  0.29438E-02 ppm1      8.507 ppm2      3.743 CV     1
 ASSI {  360}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.200     4.200     1.800 peak   360 spectrum    3 weight  0.11000E+01 volume  0.61008E-03 ppm1      8.508 ppm2      3.088 CV     1
 ASSI {  361}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.100     4.100     1.900 peak   361 spectrum    3 weight  0.11000E+01 volume  0.45243E-03 ppm1      8.505 ppm2      2.723 CV     1
 ASSI {  362}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.400     4.400     1.600 peak   362 spectrum    3 weight  0.11000E+01 volume  0.31233E-03 ppm1      8.506 ppm2      2.449 CV     1
 ASSI {  363}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.000     3.000     3.000 peak   363 spectrum    3 weight  0.11000E+01 volume  0.49063E-03 ppm1      8.503 ppm2      2.208 CV     1
 ASSI {  364}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.400     2.500     1.600 peak   364 spectrum    3 weight  0.11000E+01 volume  0.58114E-03 ppm1      8.514 ppm2      2.144 CV     1
 ASSI {  365}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.400     1.400 peak   365 spectrum    3 weight  0.11000E+01 volume  0.12719E-02 ppm1      8.506 ppm2      1.923 CV     1
 ASSI {  366}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HG11))
      4.500     4.500     1.500 peak   366 spectrum    3 weight  0.11000E+01 volume  0.12039E-02 ppm1      8.506 ppm2      1.528 CV     1
 ASSI {  367}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HG12))
      5.100     3.200     0.900 peak   367 spectrum    3 weight  0.11000E+01 volume  0.35124E-03 ppm1      8.506 ppm2      1.177 CV     1
 ASSI {  368}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      4.600     4.600     1.400 peak   368 spectrum    3 weight  0.11000E+01 volume  0.68938E-03 ppm1      8.506 ppm2      0.782 CV     1
 ASSI {  369}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.600     4.600     1.400 peak   369 spectrum    3 weight  0.11000E+01 volume  0.35449E-03 ppm1      8.507 ppm2      4.863 CV     1
 ASSI {  372}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     2.500     3.500 peak   372 spectrum    3 weight  0.11000E+01 volume  0.32607E-02 ppm1      7.170 ppm2      8.133 CV     1
 ASSI {  373}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HD% )
      3.100     3.100     2.900 peak   373 spectrum    3 weight  0.11000E+01 volume  0.12126E-02 ppm1      7.169 ppm2      6.973 CV     1
 ASSI {  374}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak   374 spectrum    3 weight  0.11000E+01 volume  0.11925E-02 ppm1      7.169 ppm2      5.201 CV     1
 ASSI {  375}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.900     3.900     2.100 peak   375 spectrum    3 weight  0.11000E+01 volume  0.56037E-03 ppm1      7.168 ppm2      4.208 CV     1
 ASSI {  378}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.800     1.800     1.800 peak   378 spectrum    3 weight  0.11000E+01 volume  0.57189E-03 ppm1      7.169 ppm2      3.321 CV     1
 ASSI {  379}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.500     1.600     1.600 peak   379 spectrum    3 weight  0.11000E+01 volume  0.66890E-03 ppm1      7.169 ppm2      3.108 CV     1
 ASSI {  380}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.200     2.200     1.800 peak   380 spectrum    3 weight  0.11000E+01 volume  0.58051E-03 ppm1      7.168 ppm2      2.884 CV     1
 ASSI {  381}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      4.400     2.400     1.600 peak   381 spectrum    3 weight  0.11000E+01 volume  0.79738E-03 ppm1      7.169 ppm2      1.869 CV     1
 ASSI {  385}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      4.300     2.300     1.700 peak   385 spectrum    3 weight  0.11000E+01 volume  0.83904E-03 ppm1      7.168 ppm2      0.673 CV     1
 ASSI {  387}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.900     0.900 peak   387 spectrum    3 weight  0.11000E+01 volume  0.64007E-02 ppm1      7.549 ppm2      8.186 CV     1
 ASSI {  390}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak   390 spectrum    3 weight  0.11000E+01 volume  0.37299E-02 ppm1      7.551 ppm2      4.780 CV     1
 ASSI {  392}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.100     1.200     1.200 peak   392 spectrum    3 weight  0.11000E+01 volume  0.32631E-02 ppm1      7.549 ppm2      4.288 CV     1
 ASSI {  393}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.400     1.500     1.500 peak   393 spectrum    3 weight  0.11000E+01 volume  0.11293E-02 ppm1      7.552 ppm2      2.619 CV     1
 ASSI {  395}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.400     3.400     2.600 peak   395 spectrum    3 weight  0.11000E+01 volume  0.36735E-02 ppm1      7.548 ppm2      2.126 CV     1
 ASSI {  396}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      4.000     4.000     2.000 peak   396 spectrum    3 weight  0.11000E+01 volume  0.13687E-02 ppm1      7.549 ppm2      1.868 CV     1
 ASSI {  397}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.700     3.700     2.300 peak   397 spectrum    3 weight  0.11000E+01 volume  0.93542E-03 ppm1      7.551 ppm2      1.633 CV     1
 ASSI {  400}
   (( segid "    " and resid 45   and name HE22))
   (( segid "    " and resid 45   and name HE21))
      1.800     0.400     0.400 peak   400 spectrum    3 weight  0.11000E+01 volume  0.18295E-01 ppm1      6.887 ppm2      7.845 CV     1
 ASSI {  403}
   (( segid "    " and resid 45   and name HE21))
   (( segid "    " and resid 45   and name HG2 ))
      2.900     2.900     3.100 peak   403 spectrum    3 weight  0.11000E+01 volume  0.21367E-02 ppm1      7.838 ppm2      2.481 CV     1
 OR {  403}
   (( segid "    " and resid 45   and name HE21))
   (( segid "    " and resid 45   and name HG1 ))
 ASSI {  404}
   (( segid "    " and resid 45   and name HE21))
   (( segid "    " and resid 45   and name HB2 ))
      4.300     4.300     1.700 peak   404 spectrum    3 weight  0.11000E+01 volume  0.28527E-03 ppm1      7.847 ppm2      2.225 CV     1
 OR {  404}
   (( segid "    " and resid 45   and name HE21))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  407}
   (( segid "    " and resid 45   and name HE22))
   (( segid "    " and resid 45   and name HG2 ))
      3.800     3.800     2.200 peak   407 spectrum    3 weight  0.11000E+01 volume  0.17209E-02 ppm1      6.890 ppm2      2.472 CV     1
 OR {  407}
   (( segid "    " and resid 45   and name HE22))
   (( segid "    " and resid 45   and name HG1 ))
 ASSI {  408}
   (( segid "    " and resid 45   and name HE22))
   (( segid "    " and resid 45   and name HB1 ))
      4.900     3.000     1.100 peak   408 spectrum    3 weight  0.11000E+01 volume  0.32114E-03 ppm1      6.890 ppm2      2.201 CV     1
 OR {  408}
   (( segid "    " and resid 45   and name HE22))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  413}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak   413 spectrum    3 weight  0.11000E+01 volume  0.37829E-03 ppm1      7.705 ppm2      8.506 CV     1
 ASSI {  415}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HD% )
      4.500     2.600     1.500 peak   415 spectrum    3 weight  0.11000E+01 volume  0.11079E-02 ppm1      7.705 ppm2      7.114 CV     1
 ASSI {  418}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.300     2.300     1.700 peak   418 spectrum    3 weight  0.11000E+01 volume  0.67323E-03 ppm1      7.705 ppm2      3.714 CV     1
 ASSI {  419}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     6.000     0.000 peak   419 spectrum    3 weight  0.11000E+01 volume  0.37967E-03 ppm1      7.704 ppm2      3.239 CV     1
 ASSI {  420}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      5.200     3.400     0.800 peak   420 spectrum    3 weight  0.11000E+01 volume  0.26922E-03 ppm1      7.705 ppm2      3.044 CV     1
 ASSI {  422}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      5.900     4.400     0.100 peak   422 spectrum    3 weight  0.11000E+01 volume  0.32260E-03 ppm1      7.707 ppm2      0.734 CV     1
 ASSI {  423}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 43   and name HG11))
      5.800     5.800     0.200 peak   423 spectrum    3 weight  0.11000E+01 volume  0.95638E-03 ppm1      7.708 ppm2      1.552 CV     1
 ASSI {  424}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.800     2.800     3.200 peak   424 spectrum    3 weight  0.11000E+01 volume  0.34606E-02 ppm1      7.705 ppm2      1.857 CV     1
 OR {  424}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  426}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HG1 ))
      3.000     1.100     1.100 peak   426 spectrum    3 weight  0.11000E+01 volume  0.20596E-02 ppm1      7.707 ppm2      2.246 CV     1
 ASSI {  428}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   428 spectrum    3 weight  0.11000E+01 volume  0.30753E-02 ppm1      7.366 ppm2      7.621 CV     1
 ASSI {  429}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   429 spectrum    3 weight  0.11000E+01 volume  0.49767E-02 ppm1      7.367 ppm2      4.135 CV     1
 ASSI {  430}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.600     3.600     2.400 peak   430 spectrum    3 weight  0.11000E+01 volume  0.88454E-03 ppm1      7.366 ppm2      3.940 CV     1
 ASSI {  432}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HD1 ))
      3.700     3.700     2.300 peak   432 spectrum    3 weight  0.11000E+01 volume  0.15105E-02 ppm1      7.366 ppm2      1.522 CV     1
 ASSI {  433}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      3.000     3.000     3.000 peak   433 spectrum    3 weight  0.11000E+01 volume  0.45378E-02 ppm1      7.366 ppm2      1.825 CV     1
 ASSI {  435}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      4.600     4.600     1.400 peak   435 spectrum    3 weight  0.11000E+01 volume  0.25045E-03 ppm1      7.363 ppm2      0.733 CV     1
 ASSI {  436}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     3.300     2.700 peak   436 spectrum    3 weight  0.11000E+01 volume  0.30509E-03 ppm1      7.367 ppm2      4.404 CV     1
 ASSI {  437}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.000     0.500     0.500 peak   437 spectrum    3 weight  0.11000E+01 volume  0.21732E-01 ppm1      8.626 ppm2      8.618 CV     1
 ASSI {  440}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   440 spectrum    3 weight  0.11000E+01 volume  0.72179E-03 ppm1      8.627 ppm2      8.389 CV     1
 ASSI {  441}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.100     1.100 peak   441 spectrum    3 weight  0.11000E+01 volume  0.26598E-02 ppm1      8.626 ppm2      4.610 CV     1
 ASSI {  442}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.100     2.100     1.900 peak   442 spectrum    3 weight  0.11000E+01 volume  0.58249E-03 ppm1      8.629 ppm2      4.284 CV     1
 ASSI {  444}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   444 spectrum    3 weight  0.11000E+01 volume  0.15893E-02 ppm1      8.625 ppm2      4.031 CV     1
 OR {  444}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  445}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak   445 spectrum    3 weight  0.11000E+01 volume  0.21192E-02 ppm1      8.627 ppm2      3.818 CV     1
 ASSI {  446}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.700     2.800     1.300 peak   446 spectrum    3 weight  0.11000E+01 volume  0.43912E-03 ppm1      8.624 ppm2      1.990 CV     1
 ASSI {  447}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.800     1.800     1.800 peak   447 spectrum    3 weight  0.11000E+01 volume  0.82950E-03 ppm1      8.624 ppm2      1.748 CV     1
 ASSI {  448}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      2.800     2.800     3.200 peak   448 spectrum    3 weight  0.11000E+01 volume  0.82771E-03 ppm1      8.621 ppm2      0.794 CV     1
 ASSI {  452}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     3.500     2.500 peak   452 spectrum    3 weight  0.11000E+01 volume  0.10886E-02 ppm1      8.427 ppm2      4.215 CV     1
 ASSI {  453}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     3.400     2.600 peak   453 spectrum    3 weight  0.11000E+01 volume  0.19459E-02 ppm1      8.430 ppm2      3.947 CV     1
 ASSI {  461}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.700     3.700     2.300 peak   461 spectrum    3 weight  0.11000E+01 volume  0.61952E-03 ppm1      8.237 ppm2      8.439 CV     1
 ASSI {  464}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.900     1.900     1.900 peak   464 spectrum    3 weight  0.11000E+01 volume  0.77012E-03 ppm1      8.237 ppm2      4.158 CV     1
 ASSI {  467}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.700     3.700     2.300 peak   467 spectrum    3 weight  0.11000E+01 volume  0.83998E-03 ppm1      8.236 ppm2      1.403 CV     1
 ASSI {  468}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.300     3.300     2.700 peak   468 spectrum    3 weight  0.11000E+01 volume  0.11490E-02 ppm1      8.237 ppm2      1.178 CV     1
 ASSI {  471}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.400     2.400     1.600 peak   471 spectrum    3 weight  0.11000E+01 volume  0.43513E-03 ppm1      8.869 ppm2      4.909 CV     1
 ASSI {  473}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.600     4.600     1.400 peak   473 spectrum    3 weight  0.11000E+01 volume  0.35764E-03 ppm1      8.867 ppm2      7.599 CV     1
 ASSI {  477}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HD1 ))
      4.200     2.200     1.800 peak   477 spectrum    3 weight  0.11000E+01 volume  0.72745E-03 ppm1      8.870 ppm2      4.026 CV     1
 ASSI {  479}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.400     4.400     1.600 peak   479 spectrum    3 weight  0.11000E+01 volume  0.53456E-03 ppm1      8.870 ppm2      2.721 CV     1
 ASSI {  482}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.400     1.400 peak   482 spectrum    3 weight  0.11000E+01 volume  0.24686E-02 ppm1      8.870 ppm2      1.916 CV     1
 ASSI {  483}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 29   and name HG11))
      6.000     6.000     0.000 peak   483 spectrum    3 weight  0.11000E+01 volume  0.32240E-03 ppm1      8.866 ppm2      1.708 CV     1
 ASSI {  484}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      5.300     5.300     0.700 peak   484 spectrum    3 weight  0.11000E+01 volume  0.40022E-03 ppm1      8.868 ppm2      0.802 CV     1
 ASSI {  488}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.600     0.800     0.800 peak   488 spectrum    3 weight  0.11000E+01 volume  0.45173E-02 ppm1      7.809 ppm2      7.256 CV     1
 ASSI {  490}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.900     2.900     3.100 peak   490 spectrum    3 weight  0.11000E+01 volume  0.27396E-02 ppm1      7.806 ppm2      4.554 CV     1
 ASSI {  494}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HE1 ))
      2.600     2.600     3.400 peak   494 spectrum    3 weight  0.11000E+01 volume  0.10774E-02 ppm1      7.800 ppm2      2.812 CV     1
 ASSI {  495}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.100     1.200     1.200 peak   495 spectrum    3 weight  0.11000E+01 volume  0.13310E-02 ppm1      7.803 ppm2      2.636 CV     1
 ASSI {  497}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.700     0.900     0.900 peak   497 spectrum    3 weight  0.11000E+01 volume  0.40149E-02 ppm1      7.806 ppm2      1.863 CV     1
 ASSI {  502}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak   502 spectrum    3 weight  0.11000E+01 volume  0.20337E-02 ppm1      8.686 ppm2      7.708 CV     1
 ASSI {  503}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.100     2.100     1.900 peak   503 spectrum    3 weight  0.11000E+01 volume  0.41290E-03 ppm1      8.686 ppm2      7.482 CV     1
 ASSI {  504}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HD% )
      3.700     1.700     1.700 peak   504 spectrum    3 weight  0.11000E+01 volume  0.11503E-02 ppm1      8.686 ppm2      6.771 CV     1
 ASSI {  505}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.100     1.200     1.200 peak   505 spectrum    3 weight  0.11000E+01 volume  0.14027E-02 ppm1      8.685 ppm2      4.095 CV     1
 ASSI {  506}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.600     1.600     1.600 peak   506 spectrum    3 weight  0.11000E+01 volume  0.78440E-03 ppm1      8.687 ppm2      3.734 CV     1
 ASSI {  507}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      4.200     2.200     1.800 peak   507 spectrum    3 weight  0.11000E+01 volume  0.51528E-03 ppm1      8.686 ppm2      3.249 CV     1
 ASSI {  508}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.600     2.600     3.400 peak   508 spectrum    3 weight  0.11000E+01 volume  0.21236E-02 ppm1      8.687 ppm2      2.752 CV     1
 ASSI {  509}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.800     1.800     1.800 peak   509 spectrum    3 weight  0.11000E+01 volume  0.15502E-02 ppm1      8.687 ppm2      2.492 CV     1
 ASSI {  510}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      3.800     3.800     2.200 peak   510 spectrum    3 weight  0.11000E+01 volume  0.17306E-02 ppm1      8.687 ppm2      2.165 CV     1
 ASSI {  511}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.900     1.100     1.100 peak   511 spectrum    3 weight  0.11000E+01 volume  0.15493E-02 ppm1      8.685 ppm2      1.883 CV     1
 ASSI {  512}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      4.200     4.200     1.800 peak   512 spectrum    3 weight  0.11000E+01 volume  0.63358E-03 ppm1      8.684 ppm2      0.745 CV     1
 ASSI {  515}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.500     1.500     1.500 peak   515 spectrum    3 weight  0.11000E+01 volume  0.95313E-03 ppm1      8.318 ppm2      8.118 CV     1
 ASSI {  516}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      3.600     1.600     1.600 peak   516 spectrum    3 weight  0.11000E+01 volume  0.71675E-03 ppm1      8.318 ppm2      7.979 CV     1
 ASSI {  518}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 83   and name HG11))
      3.700     1.700     1.700 peak   518 spectrum    3 weight  0.11000E+01 volume  0.82509E-03 ppm1      8.687 ppm2      2.076 CV     1
 ASSI {  522}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 101  and name HA1 ))
      4.700     4.700     1.300 peak   522 spectrum    3 weight  0.11000E+01 volume  0.37242E-03 ppm1      8.318 ppm2      3.878 CV     1
 ASSI {  523}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB1 ))
      4.200     4.200     1.800 peak   523 spectrum    3 weight  0.11000E+01 volume  0.52501E-03 ppm1      8.318 ppm2      1.633 CV     1
 ASSI {  541}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 86   and name HD% )
      4.400     2.400     1.600 peak   541 spectrum    3 weight  0.11000E+01 volume  0.34631E-03 ppm1      7.472 ppm2      6.770 CV     1
 ASSI {  542}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.700     2.700     3.300 peak   542 spectrum    3 weight  0.11000E+01 volume  0.22363E-02 ppm1      7.475 ppm2      7.647 CV     1
 ASSI {  543}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.300     2.300     1.700 peak   543 spectrum    3 weight  0.11000E+01 volume  0.46400E-03 ppm1      7.475 ppm2      8.000 CV     1
 ASSI {  545}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   545 spectrum    3 weight  0.11000E+01 volume  0.12588E-02 ppm1      7.472 ppm2      3.725 CV     1
 ASSI {  546}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.700     2.700     3.300 peak   546 spectrum    3 weight  0.11000E+01 volume  0.37279E-02 ppm1      7.475 ppm2      3.964 CV     1
 ASSI {  547}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.800     3.800     2.200 peak   547 spectrum    3 weight  0.11000E+01 volume  0.82256E-03 ppm1      7.472 ppm2      4.167 CV     1
 ASSI {  548}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.900     1.100     1.100 peak   548 spectrum    3 weight  0.11000E+01 volume  0.18510E-02 ppm1      7.475 ppm2      2.828 CV     1
 ASSI {  551}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.500     2.500     3.500 peak   551 spectrum    3 weight  0.11000E+01 volume  0.69754E-02 ppm1      7.473 ppm2      1.736 CV     1
 ASSI {  553}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
      3.600     1.700     1.700 peak   553 spectrum    3 weight  0.11000E+01 volume  0.10842E-02 ppm1      7.473 ppm2      1.297 CV     1
 ASSI {  559}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak   559 spectrum    3 weight  0.11000E+01 volume  0.26763E-02 ppm1      7.691 ppm2      7.245 CV     1
 ASSI {  561}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.300     1.400     1.400 peak   561 spectrum    3 weight  0.11000E+01 volume  0.12889E-02 ppm1      7.692 ppm2      3.734 CV     1
 ASSI {  562}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      4.800     2.800     1.200 peak   562 spectrum    3 weight  0.11000E+01 volume  0.54452E-03 ppm1      7.692 ppm2      0.851 CV     1
 OR {  562}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  563}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      4.600     2.700     1.400 peak   563 spectrum    3 weight  0.11000E+01 volume  0.63589E-03 ppm1      7.693 ppm2      1.147 CV     1
 ASSI {  565}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.400     0.700     0.700 peak   565 spectrum    3 weight  0.11000E+01 volume  0.57391E-02 ppm1      7.693 ppm2      1.791 CV     1
 ASSI {  566}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.600     3.600     2.400 peak   566 spectrum    3 weight  0.11000E+01 volume  0.90480E-03 ppm1      7.472 ppm2      4.399 CV     1
 ASSI {  574}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000 peak   574 spectrum    3 weight  0.11000E+01 volume  0.24034E-02 ppm1      8.102 ppm2      3.920 CV     1
 ASSI {  575}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.800     1.800     1.800 peak   575 spectrum    3 weight  0.11000E+01 volume  0.18402E-02 ppm1      8.100 ppm2      3.128 CV     1
 ASSI {  576}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak   576 spectrum    3 weight  0.11000E+01 volume  0.12270E-02 ppm1      8.100 ppm2      2.869 CV     1
 ASSI {  577}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.700     0.900     0.900 peak   577 spectrum    3 weight  0.11000E+01 volume  0.54724E-02 ppm1      8.102 ppm2      1.818 CV     1
 ASSI {  583}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.000     2.000     2.000 peak   583 spectrum    3 weight  0.11000E+01 volume  0.64261E-03 ppm1      8.144 ppm2      8.531 CV     1
 ASSI {  584}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.900     1.000     1.000 peak   584 spectrum    3 weight  0.11000E+01 volume  0.17878E-02 ppm1      8.143 ppm2      8.807 CV     1
 ASSI {  585}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.700     3.700     2.300 peak   585 spectrum    3 weight  0.11000E+01 volume  0.84553E-03 ppm1      8.144 ppm2      8.322 CV     1
 ASSI {  586}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.500     1.500     1.500 peak   586 spectrum    3 weight  0.11000E+01 volume  0.85642E-03 ppm1      8.143 ppm2      3.785 CV     1
 ASSI {  588}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.800     2.800     3.200 peak   588 spectrum    3 weight  0.11000E+01 volume  0.32788E-02 ppm1      8.146 ppm2      4.024 CV     1
 ASSI {  591}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD% )
      4.400     2.400     1.600 peak   591 spectrum    3 weight  0.11000E+01 volume  0.10712E-02 ppm1      7.798 ppm2      6.636 CV     1
 ASSI {  592}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      2.900     2.900     3.100 peak   592 spectrum    3 weight  0.11000E+01 volume  0.61206E-03 ppm1      7.796 ppm2      7.579 CV     1
 ASSI {  593}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak   593 spectrum    3 weight  0.11000E+01 volume  0.34243E-03 ppm1      7.798 ppm2      9.306 CV     1
 ASSI {  594}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.300     4.300     1.700 peak   594 spectrum    3 weight  0.11000E+01 volume  0.37295E-03 ppm1      7.797 ppm2      8.902 CV     1
 ASSI {  596}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak   596 spectrum    3 weight  0.11000E+01 volume  0.19402E-02 ppm1      7.796 ppm2      8.093 CV     1
 ASSI {  597}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   597 spectrum    3 weight  0.11000E+01 volume  0.71675E-03 ppm1      7.797 ppm2      7.350 CV     1
 ASSI {  600}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak   600 spectrum    3 weight  0.11000E+01 volume  0.58763E-03 ppm1      7.798 ppm2      3.892 CV     1
 ASSI {  601}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.600     0.900     0.900 peak   601 spectrum    3 weight  0.11000E+01 volume  0.24431E-02 ppm1      7.797 ppm2      3.157 CV     1
 ASSI {  602}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.000     1.000 peak   602 spectrum    3 weight  0.11000E+01 volume  0.31281E-02 ppm1      7.797 ppm2      2.924 CV     1
 ASSI {  603}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.800     1.000     1.000 peak   603 spectrum    3 weight  0.11000E+01 volume  0.26285E-02 ppm1      7.800 ppm2      1.833 CV     1
 ASSI {  610}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      4.300     2.300     1.700 peak   610 spectrum    3 weight  0.11000E+01 volume  0.40358E-03 ppm1      8.869 ppm2      7.749 CV     1
 ASSI {  611}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD% )
      3.400     3.400     2.600 peak   611 spectrum    3 weight  0.11000E+01 volume  0.84605E-03 ppm1      8.871 ppm2      7.092 CV     1
 ASSI {  612}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.900     3.900     2.100 peak   612 spectrum    3 weight  0.11000E+01 volume  0.59162E-03 ppm1      8.869 ppm2      4.235 CV     1
 ASSI {  613}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak   613 spectrum    3 weight  0.11000E+01 volume  0.83158E-03 ppm1      8.871 ppm2      3.790 CV     1
 ASSI {  617}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 79   and name HG1%)
      3.200     3.200     2.800 peak   617 spectrum    3 weight  0.11000E+01 volume  0.37138E-03 ppm1      8.869 ppm2      1.378 CV     1
 ASSI {  618}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG12))
      3.800     1.800     1.800 peak   618 spectrum    3 weight  0.11000E+01 volume  0.20008E-02 ppm1      8.871 ppm2      0.963 CV     1
 ASSI {  621}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HB  ))
      4.400     2.400     1.600 peak   621 spectrum    3 weight  0.11000E+01 volume  0.24164E-03 ppm1      8.865 ppm2      2.346 CV     1
 ASSI {  623}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.200     2.200     1.800 peak   623 spectrum    3 weight  0.11000E+01 volume  0.45978E-03 ppm1      8.515 ppm2      8.708 CV     1
 ASSI {  624}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.600     3.600     2.400 peak   624 spectrum    3 weight  0.11000E+01 volume  0.65130E-03 ppm1      8.515 ppm2      8.294 CV     1
 ASSI {  625}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     2.600     3.400 peak   625 spectrum    3 weight  0.11000E+01 volume  0.53061E-02 ppm1      8.514 ppm2      4.167 CV     1
 ASSI {  626}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.200     3.200     2.800 peak   626 spectrum    3 weight  0.11000E+01 volume  0.15339E-02 ppm1      8.514 ppm2      3.911 CV     1
 ASSI {  637}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HE% )
      4.800     2.900     1.200 peak   637 spectrum    3 weight  0.11000E+01 volume  0.49879E-03 ppm1      8.416 ppm2      7.165 CV     1
 ASSI {  640}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.100     3.100     2.900 peak   640 spectrum    3 weight  0.11000E+01 volume  0.24722E-02 ppm1      8.416 ppm2      3.092 CV     1
 ASSI {  641}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.800     2.800     3.200 peak   641 spectrum    3 weight  0.11000E+01 volume  0.14413E-02 ppm1      8.416 ppm2      3.231 CV     1
 ASSI {  642}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.100     1.200     1.200 peak   642 spectrum    3 weight  0.11000E+01 volume  0.10939E-02 ppm1      8.416 ppm2      2.733 CV     1
 ASSI {  664}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     2.700     3.300 peak   664 spectrum    3 weight  0.11000E+01 volume  0.87343E-03 ppm1      7.264 ppm2      7.881 CV     1
 ASSI {  666}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   666 spectrum    3 weight  0.11000E+01 volume  0.29516E-02 ppm1      7.265 ppm2      4.063 CV     1
 ASSI {  674}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.300     1.300 peak   674 spectrum    3 weight  0.11000E+01 volume  0.13220E-02 ppm1      7.561 ppm2      4.388 CV     1
 ASSI {  675}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     1.000     1.000 peak   675 spectrum    3 weight  0.11000E+01 volume  0.23685E-02 ppm1      7.561 ppm2      4.093 CV     1
 ASSI {  676}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.700     1.700     1.700 peak   676 spectrum    3 weight  0.11000E+01 volume  0.66010E-03 ppm1      7.554 ppm2      3.174 CV     1
 ASSI {  679}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      3.400     1.400     1.400 peak   679 spectrum    3 weight  0.11000E+01 volume  0.13014E-02 ppm1      7.561 ppm2      1.154 CV     1
 ASSI {  683}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      2.700     2.700     3.300 peak   683 spectrum    3 weight  0.11000E+01 volume  0.25240E-02 ppm1      7.561 ppm2      2.133 CV     1
 ASSI {  688}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.200     2.200     1.800 peak   688 spectrum    3 weight  0.11000E+01 volume  0.76393E-03 ppm1      7.786 ppm2      7.361 CV     1
 ASSI {  689}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD% )
      3.700     1.700     1.700 peak   689 spectrum    3 weight  0.11000E+01 volume  0.17974E-02 ppm1      7.787 ppm2      7.135 CV     1
 ASSI {  690}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   690 spectrum    3 weight  0.11000E+01 volume  0.24807E-02 ppm1      7.787 ppm2      4.262 CV     1
 ASSI {  691}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   691 spectrum    3 weight  0.11000E+01 volume  0.42297E-03 ppm1      7.789 ppm2      3.702 CV     1
 ASSI {  692}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.200     3.200     2.800 peak   692 spectrum    3 weight  0.11000E+01 volume  0.25207E-02 ppm1      7.789 ppm2      3.165 CV     1
 ASSI {  693}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     2.300     3.700 peak   693 spectrum    3 weight  0.11000E+01 volume  0.20985E-02 ppm1      7.788 ppm2      3.011 CV     1
 ASSI {  694}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HG2 ))
      4.400     2.400     1.600 peak   694 spectrum    3 weight  0.11000E+01 volume  0.65159E-03 ppm1      7.787 ppm2      2.134 CV     1
 ASSI {  695}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.600     3.600     2.400 peak   695 spectrum    3 weight  0.11000E+01 volume  0.91979E-03 ppm1      7.789 ppm2      1.881 CV     1
 OR {  695}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  696}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 43   and name HG11))
      5.400     3.600     0.600 peak   696 spectrum    3 weight  0.11000E+01 volume  0.56615E-03 ppm1      7.787 ppm2      1.585 CV     1
 ASSI {  697}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 43   and name HG12))
      6.000     4.800     0.000 peak   697 spectrum    3 weight  0.11000E+01 volume  0.35701E-03 ppm1      7.784 ppm2      1.212 CV     1
 ASSI {  698}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      4.700     2.700     1.300 peak   698 spectrum    3 weight  0.11000E+01 volume  0.98617E-03 ppm1      7.786 ppm2      0.764 CV     1
 ASSI {  699}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.400     2.400     1.600 peak   699 spectrum    3 weight  0.11000E+01 volume  0.54075E-03 ppm1      7.787 ppm2      8.408 CV     1
 ASSI {  700}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   700 spectrum    3 weight  0.11000E+01 volume  0.19850E-02 ppm1      7.787 ppm2      4.788 CV     1
 ASSI {  715}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     2.500     3.500 peak   715 spectrum    3 weight  0.11000E+01 volume  0.64537E-02 ppm1      8.151 ppm2      4.149 CV     1
 ASSI {  722}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.200     4.200     1.800 peak   722 spectrum    3 weight  0.11000E+01 volume  0.58133E-03 ppm1      8.716 ppm2      8.468 CV     1
 ASSI {  723}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      4.600     4.600     1.400 peak   723 spectrum    3 weight  0.11000E+01 volume  0.26744E-03 ppm1      8.715 ppm2      7.882 CV     1
 ASSI {  724}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 71   and name HD2%)
      3.600     3.600     2.400 peak   724 spectrum    3 weight  0.11000E+01 volume  0.20492E-02 ppm1      8.714 ppm2      0.447 CV     1
 ASSI {  725}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.400     2.400     3.600 peak   725 spectrum    3 weight  0.11000E+01 volume  0.43655E-02 ppm1      8.714 ppm2      4.599 CV     1
 ASSI {  726}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.200     1.200 peak   726 spectrum    3 weight  0.11000E+01 volume  0.15360E-02 ppm1      8.714 ppm2      4.381 CV     1
 ASSI {  727}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG  ))
      4.600     2.600     1.400 peak   727 spectrum    3 weight  0.11000E+01 volume  0.63127E-03 ppm1      8.714 ppm2      1.133 CV     1
 ASSI {  728}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      2.700     0.900     0.900 peak   728 spectrum    3 weight  0.11000E+01 volume  0.33214E-02 ppm1      8.715 ppm2      1.340 CV     1
 ASSI {  732}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 71   and name HD1%)
      4.300     4.300     1.700 peak   732 spectrum    3 weight  0.11000E+01 volume  0.35418E-03 ppm1      8.711 ppm2      0.048 CV     1
 ASSI {  733}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     2.400     3.600 peak   733 spectrum    3 weight  0.11000E+01 volume  0.20298E-02 ppm1      8.712 ppm2      4.759 CV     1
 ASSI {  736}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HD21))
      3.700     1.700     1.700 peak   736 spectrum    3 weight  0.11000E+01 volume  0.11004E-02 ppm1      8.567 ppm2      8.218 CV     1
 ASSI {  740}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   740 spectrum    3 weight  0.11000E+01 volume  0.32435E-02 ppm1      8.568 ppm2      4.561 CV     1
 ASSI {  742}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     3.400     2.600 peak   742 spectrum    3 weight  0.11000E+01 volume  0.13094E-02 ppm1      8.566 ppm2      4.033 CV     1
 ASSI {  744}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.900     1.000     1.000 peak   744 spectrum    3 weight  0.11000E+01 volume  0.31572E-02 ppm1      8.569 ppm2      3.039 CV     1
 ASSI {  746}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak   746 spectrum    3 weight  0.11000E+01 volume  0.24325E-02 ppm1      8.567 ppm2      2.619 CV     1
 ASSI {  748}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.400     1.400     1.400 peak   748 spectrum    3 weight  0.11000E+01 volume  0.39325E-02 ppm1      8.568 ppm2      2.039 CV     1
 ASSI {  756}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.300     2.300     1.700 peak   756 spectrum    3 weight  0.11000E+01 volume  0.48802E-03 ppm1      8.430 ppm2      3.646 CV     1
 ASSI {  757}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.200     1.200 peak   757 spectrum    3 weight  0.11000E+01 volume  0.11553E-02 ppm1      8.433 ppm2      3.276 CV     1
 ASSI {  758}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.400     3.400     2.600 peak   758 spectrum    3 weight  0.11000E+01 volume  0.89316E-03 ppm1      8.431 ppm2      2.872 CV     1
 ASSI {  760}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.700     2.700     3.300 peak   760 spectrum    3 weight  0.11000E+01 volume  0.22557E-02 ppm1      8.428 ppm2      1.586 CV     1
 ASSI {  763}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      2.900     1.000     1.000 peak   763 spectrum    3 weight  0.11000E+01 volume  0.13580E-02 ppm1      8.431 ppm2      0.686 CV     1
 ASSI {  764}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      4.600     2.700     1.400 peak   764 spectrum    3 weight  0.11000E+01 volume  0.97767E-03 ppm1      8.430 ppm2      0.462 CV     1
 ASSI {  766}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
      4.200     2.200     1.800 peak   766 spectrum    3 weight  0.11000E+01 volume  0.11011E-02 ppm1      8.429 ppm2      0.012 CV     1
 ASSI {  767}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.600     1.600     1.600 peak   767 spectrum    3 weight  0.11000E+01 volume  0.77075E-03 ppm1      8.431 ppm2      2.652 CV     1
 ASSI {  771}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.600     1.600 peak   771 spectrum    3 weight  0.11000E+01 volume  0.77672E-03 ppm1      8.543 ppm2      4.269 CV     1
 ASSI {  773}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak   773 spectrum    3 weight  0.11000E+01 volume  0.18490E-02 ppm1      8.543 ppm2      3.697 CV     1
 ASSI {  776}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.600     2.600     3.400 peak   776 spectrum    3 weight  0.11000E+01 volume  0.27469E-02 ppm1      8.546 ppm2      1.953 CV     1
 ASSI {  777}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.700     0.900     0.900 peak   777 spectrum    3 weight  0.11000E+01 volume  0.27465E-02 ppm1      8.544 ppm2      1.605 CV     1
 ASSI {  778}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      4.200     2.200     1.800 peak   778 spectrum    3 weight  0.11000E+01 volume  0.10953E-02 ppm1      8.541 ppm2      1.366 CV     1
 ASSI {  779}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 71   and name HG  ))
      4.300     2.300     1.700 peak   779 spectrum    3 weight  0.11000E+01 volume  0.79384E-03 ppm1      8.543 ppm2      1.151 CV     1
 ASSI {  780}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 71   and name HD2%)
      3.700     1.700     1.700 peak   780 spectrum    3 weight  0.11000E+01 volume  0.10350E-02 ppm1      8.541 ppm2      0.422 CV     1
 ASSI {  781}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 71   and name HD1%)
      4.300     2.300     1.700 peak   781 spectrum    3 weight  0.11000E+01 volume  0.48298E-03 ppm1      8.539 ppm2      0.030 CV     1
 ASSI {  784}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     3.000     3.000 peak   784 spectrum    3 weight  0.11000E+01 volume  0.14499E-02 ppm1      8.302 ppm2      8.103 CV     1
 ASSI {  787}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.900     1.000     1.000 peak   787 spectrum    3 weight  0.11000E+01 volume  0.19611E-02 ppm1      8.299 ppm2      1.878 CV     1
 ASSI {  789}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.100     4.100     1.900 peak   789 spectrum    3 weight  0.11000E+01 volume  0.94810E-03 ppm1      8.297 ppm2      4.275 CV     1
 ASSI {  790}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     3.500     2.500 peak   790 spectrum    3 weight  0.11000E+01 volume  0.80074E-03 ppm1      8.296 ppm2      4.120 CV     1
 ASSI {  791}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     0.900     0.900 peak   791 spectrum    3 weight  0.11000E+01 volume  0.28237E-02 ppm1      8.298 ppm2      3.926 CV     1
 ASSI {  797}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.000     1.100     1.100 peak   797 spectrum    3 weight  0.11000E+01 volume  0.82677E-02 ppm1      8.298 ppm2      2.137 CV     1
 OR {  797}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  798}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      2.900     2.900     3.100 peak   798 spectrum    3 weight  0.11000E+01 volume  0.13313E-02 ppm1      8.298 ppm2      2.319 CV     1
 ASSI {  800}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
      3.900     1.900     1.900 peak   800 spectrum    3 weight  0.11000E+01 volume  0.10148E-02 ppm1      8.300 ppm2      0.876 CV     1
 ASSI {  801}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.300     1.400     1.400 peak   801 spectrum    3 weight  0.11000E+01 volume  0.21179E-02 ppm1      8.299 ppm2      1.780 CV     1
 ASSI {  805}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.700     1.700 peak   805 spectrum    3 weight  0.11000E+01 volume  0.92859E-03 ppm1      8.090 ppm2      8.421 CV     1
 ASSI {  808}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     2.800     3.200 peak   808 spectrum    3 weight  0.11000E+01 volume  0.26975E-02 ppm1      8.090 ppm2      7.561 CV     1
 ASSI {  809}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.700     1.700     1.700 peak   809 spectrum    3 weight  0.11000E+01 volume  0.86567E-03 ppm1      8.094 ppm2      4.306 CV     1
 ASSI {  810}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.500     1.500 peak   810 spectrum    3 weight  0.11000E+01 volume  0.13752E-02 ppm1      8.090 ppm2      3.911 CV     1
 ASSI {  811}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     2.800     3.200 peak   811 spectrum    3 weight  0.11000E+01 volume  0.20338E-02 ppm1      8.090 ppm2      3.655 CV     1
 ASSI {  813}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.900     1.000     1.000 peak   813 spectrum    3 weight  0.11000E+01 volume  0.14182E-02 ppm1      8.090 ppm2      3.074 CV     1
 ASSI {  821}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 29   and name HG12))
      4.200     2.200     1.800 peak   821 spectrum    3 weight  0.11000E+01 volume  0.86377E-03 ppm1      8.095 ppm2      0.885 CV     1
 ASSI {  822}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      3.400     3.400     2.600 peak   822 spectrum    3 weight  0.11000E+01 volume  0.11260E-02 ppm1      8.095 ppm2      0.740 CV     1
 ASSI {  825}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 18   and name HD21))
      5.000     5.000     1.000 peak   825 spectrum    3 weight  0.11000E+01 volume  0.59308E-03 ppm1      8.272 ppm2      7.596 CV     1
 ASSI {  827}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak   827 spectrum    3 weight  0.11000E+01 volume  0.98867E-03 ppm1      8.269 ppm2      8.444 CV     1
 ASSI {  829}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      5.100     3.200     0.900 peak   829 spectrum    3 weight  0.11000E+01 volume  0.27824E-03 ppm1      8.273 ppm2      3.613 CV     1
 ASSI {  831}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.200     1.200 peak   831 spectrum    3 weight  0.11000E+01 volume  0.14323E-02 ppm1      8.269 ppm2      3.167 CV     1
 ASSI {  833}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      2.500     2.500     3.500 peak   833 spectrum    3 weight  0.11000E+01 volume  0.34073E-02 ppm1      8.269 ppm2      2.191 CV     1
 ASSI {  836}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      3.900     1.900     1.900 peak   836 spectrum    3 weight  0.11000E+01 volume  0.98397E-03 ppm1      8.269 ppm2      1.633 CV     1
 ASSI {  838}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HG1%)
      4.100     4.100     1.900 peak   838 spectrum    3 weight  0.11000E+01 volume  0.10539E-02 ppm1      8.269 ppm2      1.191 CV     1
 ASSI {  839}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      2.800     2.800     3.200 peak   839 spectrum    3 weight  0.11000E+01 volume  0.19650E-02 ppm1      8.269 ppm2      0.952 CV     1
 ASSI {  840}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.100     1.200     1.200 peak   840 spectrum    3 weight  0.11000E+01 volume  0.86977E-03 ppm1      8.269 ppm2      0.656 CV     1
 ASSI {  841}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      5.700     4.000     0.300 peak   841 spectrum    3 weight  0.11000E+01 volume  0.28873E-03 ppm1      8.269 ppm2      0.470 CV     1
 ASSI {  846}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     3.300     2.700 peak   846 spectrum    3 weight  0.11000E+01 volume  0.41048E-02 ppm1      8.389 ppm2      4.756 CV     1
 ASSI {  848}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.600     1.600     1.600 peak   848 spectrum    3 weight  0.11000E+01 volume  0.89368E-03 ppm1      8.390 ppm2      4.261 CV     1
 ASSI {  852}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.000     1.200     1.200 peak   852 spectrum    3 weight  0.11000E+01 volume  0.18899E-02 ppm1      8.389 ppm2      3.177 CV     1
 ASSI {  855}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      5.000     5.000     1.000 peak   855 spectrum    3 weight  0.11000E+01 volume  0.28149E-03 ppm1      8.389 ppm2      2.718 CV     1
 ASSI {  856}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      3.800     3.800     2.200 peak   856 spectrum    3 weight  0.11000E+01 volume  0.19056E-02 ppm1      8.389 ppm2      2.247 CV     1
 ASSI {  857}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      2.200     2.200     3.800 peak   857 spectrum    3 weight  0.11000E+01 volume  0.59528E-02 ppm1      8.389 ppm2      2.023 CV     1
 ASSI {  866}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak   866 spectrum    3 weight  0.11000E+01 volume  0.54579E-03 ppm1      8.395 ppm2      7.556 CV     1
 ASSI {  867}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.700     3.700     2.300 peak   867 spectrum    3 weight  0.11000E+01 volume  0.55470E-03 ppm1      8.396 ppm2      3.180 CV     1
 ASSI {  869}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.900     3.900     2.100 peak   869 spectrum    3 weight  0.11000E+01 volume  0.47657E-03 ppm1      8.392 ppm2      3.577 CV     1
 ASSI {  870}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.800     1.800     1.800 peak   870 spectrum    3 weight  0.11000E+01 volume  0.61993E-03 ppm1      8.431 ppm2      4.374 CV     1
 ASSI {  871}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   871 spectrum    3 weight  0.11000E+01 volume  0.16578E-02 ppm1      8.395 ppm2      3.350 CV     1
 ASSI {  873}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG12))
      4.400     2.400     1.600 peak   873 spectrum    3 weight  0.11000E+01 volume  0.40440E-03 ppm1      8.392 ppm2      1.799 CV     1
 ASSI {  874}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.300     3.300     2.700 peak   874 spectrum    3 weight  0.11000E+01 volume  0.16912E-02 ppm1      8.390 ppm2      1.654 CV     1
 ASSI {  876}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.700     3.700     2.300 peak   876 spectrum    3 weight  0.11000E+01 volume  0.19109E-02 ppm1      8.393 ppm2      1.237 CV     1
 ASSI {  877}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.200     3.200     2.800 peak   877 spectrum    3 weight  0.11000E+01 volume  0.10041E-02 ppm1      8.393 ppm2      0.975 CV     1
 ASSI {  878}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.200     3.200     2.800 peak   878 spectrum    3 weight  0.11000E+01 volume  0.27120E-02 ppm1      8.392 ppm2      0.726 CV     1
 ASSI {  879}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      4.400     4.400     1.600 peak   879 spectrum    3 weight  0.11000E+01 volume  0.12025E-02 ppm1      8.394 ppm2      0.245 CV     1
 ASSI {  880}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      4.400     4.400     1.600 peak   880 spectrum    3 weight  0.11000E+01 volume  0.13851E-02 ppm1      8.395 ppm2     -0.051 CV     1
 ASSI {  883}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak   883 spectrum    3 weight  0.11000E+01 volume  0.71022E-03 ppm1      7.687 ppm2      8.341 CV     1
 ASSI {  886}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.000     2.000     2.000 peak   886 spectrum    3 weight  0.11000E+01 volume  0.48664E-03 ppm1      7.687 ppm2      4.530 CV     1
 ASSI {  887}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     3.700     2.300 peak   887 spectrum    3 weight  0.11000E+01 volume  0.61281E-03 ppm1      7.684 ppm2      4.283 CV     1
 ASSI {  890}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     3.400     2.600 peak   890 spectrum    3 weight  0.11000E+01 volume  0.93888E-03 ppm1      7.686 ppm2      3.703 CV     1
 ASSI {  896}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.300     1.300     1.300 peak   896 spectrum    3 weight  0.11000E+01 volume  0.11589E-02 ppm1      7.684 ppm2      0.866 CV     1
 ASSI {  900}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak   900 spectrum    3 weight  0.11000E+01 volume  0.21734E-02 ppm1      8.549 ppm2      8.844 CV     1
 ASSI {  902}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.200     2.200     1.800 peak   902 spectrum    3 weight  0.11000E+01 volume  0.51494E-03 ppm1      8.547 ppm2      8.180 CV     1
 ASSI {  906}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak   906 spectrum    3 weight  0.11000E+01 volume  0.58543E-03 ppm1      8.547 ppm2      4.070 CV     1
 ASSI {  907}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak   907 spectrum    3 weight  0.11000E+01 volume  0.23477E-02 ppm1      8.546 ppm2      3.702 CV     1
 ASSI {  911}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HG1%)
      2.400     0.700     0.700 peak   911 spectrum    3 weight  0.11000E+01 volume  0.45643E-02 ppm1      8.547 ppm2      1.379 CV     1
 ASSI {  916}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.600     3.600     2.400 peak   916 spectrum    3 weight  0.11000E+01 volume  0.90782E-03 ppm1      8.827 ppm2      8.191 CV     1
 ASSI {  917}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   917 spectrum    3 weight  0.11000E+01 volume  0.15306E-02 ppm1      8.828 ppm2      3.766 CV     1
 ASSI {  924}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      4.300     4.300     1.700 peak   924 spectrum    3 weight  0.11000E+01 volume  0.39455E-03 ppm1      8.826 ppm2      7.943 CV     1
 ASSI {  945}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.000     1.000 peak   945 spectrum    3 weight  0.11000E+01 volume  0.27679E-02 ppm1      8.881 ppm2      4.350 CV     1
 ASSI {  952}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak   952 spectrum    3 weight  0.11000E+01 volume  0.13844E-02 ppm1      8.025 ppm2      8.304 CV     1
 ASSI {  953}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.000     4.000     2.000 peak   953 spectrum    3 weight  0.11000E+01 volume  0.52095E-03 ppm1      8.025 ppm2      7.561 CV     1
 ASSI {  954}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.200     2.200     1.800 peak   954 spectrum    3 weight  0.11000E+01 volume  0.49376E-03 ppm1      8.025 ppm2      7.305 CV     1
 ASSI {  955}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.100     1.200     1.200 peak   955 spectrum    3 weight  0.11000E+01 volume  0.17330E-02 ppm1      8.025 ppm2      4.399 CV     1
 ASSI {  956}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      2.800     1.000     1.000 peak   956 spectrum    3 weight  0.11000E+01 volume  0.21514E-02 ppm1      8.025 ppm2      4.212 CV     1
 ASSI {  960}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      2.800     2.800     3.200 peak   960 spectrum    3 weight  0.11000E+01 volume  0.74685E-03 ppm1      8.025 ppm2      1.679 CV     1
 ASSI {  968}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      2.900     1.000     1.000 peak   968 spectrum    3 weight  0.11000E+01 volume  0.19454E-02 ppm1      8.488 ppm2      8.676 CV     1
 ASSI {  969}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.100     3.100     2.900 peak   969 spectrum    3 weight  0.11000E+01 volume  0.41186E-03 ppm1      8.490 ppm2      8.000 CV     1
 ASSI {  970}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak   970 spectrum    3 weight  0.11000E+01 volume  0.21640E-02 ppm1      8.486 ppm2      7.759 CV     1
 ASSI {  971}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HD% )
      4.500     4.500     1.500 peak   971 spectrum    3 weight  0.11000E+01 volume  0.87321E-03 ppm1      8.488 ppm2      6.745 CV     1
 ASSI {  973}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.100     3.100     2.900 peak   973 spectrum    3 weight  0.11000E+01 volume  0.14852E-02 ppm1      8.490 ppm2      3.886 CV     1
 ASSI {  974}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak   974 spectrum    3 weight  0.11000E+01 volume  0.17497E-02 ppm1      8.490 ppm2      3.712 CV     1
 ASSI {  975}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.600     1.600     1.600 peak   975 spectrum    3 weight  0.11000E+01 volume  0.97443E-03 ppm1      8.486 ppm2      3.264 CV     1
 ASSI {  976}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.800     1.000     1.000 peak   976 spectrum    3 weight  0.11000E+01 volume  0.22329E-02 ppm1      8.490 ppm2      2.784 CV     1
 ASSI {  978}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.900     1.000     1.000 peak   978 spectrum    3 weight  0.11000E+01 volume  0.22140E-02 ppm1      8.486 ppm2      2.250 CV     1
 ASSI {  980}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      4.800     2.900     1.200 peak   980 spectrum    3 weight  0.11000E+01 volume  0.32229E-03 ppm1      8.486 ppm2      0.919 CV     1
 ASSI {  981}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.200     4.200     1.800 peak   981 spectrum    3 weight  0.11000E+01 volume  0.34683E-03 ppm1      8.486 ppm2      8.254 CV     1
 ASSI {  982}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 82   and name HD% )
      4.200     4.200     1.800 peak   982 spectrum    3 weight  0.11000E+01 volume  0.37012E-03 ppm1      8.487 ppm2      7.099 CV     1
 ASSI {  984}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.200     0.600     0.600 peak   984 spectrum    3 weight  0.11000E+01 volume  0.97812E-02 ppm1      8.855 ppm2      8.876 CV     1
 ASSI {  985}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak   985 spectrum    3 weight  0.11000E+01 volume  0.15499E-02 ppm1      8.856 ppm2      8.530 CV     1
 ASSI {  986}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.300     2.300     1.700 peak   986 spectrum    3 weight  0.11000E+01 volume  0.36519E-03 ppm1      8.853 ppm2      8.276 CV     1
 ASSI {  987}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      5.000     3.100     1.000 peak   987 spectrum    3 weight  0.11000E+01 volume  0.32848E-03 ppm1      8.855 ppm2      7.584 CV     1
 ASSI {  988}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.900     3.900     2.100 peak   988 spectrum    3 weight  0.11000E+01 volume  0.71287E-03 ppm1      8.852 ppm2      7.144 CV     1
 ASSI {  989}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE3 ))
      5.400     5.400     0.600 peak   989 spectrum    3 weight  0.11000E+01 volume  0.27929E-03 ppm1      8.858 ppm2      7.375 CV     1
 ASSI {  990}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.500     1.500 peak   990 spectrum    3 weight  0.11000E+01 volume  0.72723E-03 ppm1      8.855 ppm2      4.260 CV     1
 ASSI {  991}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.000     4.000     2.000 peak   991 spectrum    3 weight  0.11000E+01 volume  0.74979E-03 ppm1      8.855 ppm2      3.957 CV     1
 ASSI {  992}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.900     1.900     1.900 peak   992 spectrum    3 weight  0.11000E+01 volume  0.15787E-02 ppm1      8.855 ppm2      3.702 CV     1
 ASSI {  993}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.600     2.600     3.400 peak   993 spectrum    3 weight  0.11000E+01 volume  0.15298E-02 ppm1      8.855 ppm2      3.376 CV     1
 ASSI {  997}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 55   and name HG2%)
      4.700     4.700     1.300 peak   997 spectrum    3 weight  0.11000E+01 volume  0.86713E-03 ppm1      8.856 ppm2      1.371 CV     1
 ASSI {  998}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.800     3.800     2.200 peak   998 spectrum    3 weight  0.11000E+01 volume  0.49861E-03 ppm1      8.855 ppm2      1.140 CV     1
 ASSI {  999}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
      4.200     2.200     1.800 peak   999 spectrum    3 weight  0.11000E+01 volume  0.45769E-03 ppm1      8.855 ppm2      0.889 CV     1
 ASSI { 1000}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.700     2.700     1.300 peak  1000 spectrum    3 weight  0.11000E+01 volume  0.29743E-03 ppm1      8.853 ppm2      0.195 CV     1
 ASSI { 1002}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      1.800     1.800     4.200 peak  1002 spectrum    3 weight  0.11000E+01 volume  0.49641E-01 ppm1      8.142 ppm2      8.142 CV     1
 ASSI { 1012}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HB% )
      2.800     1.000     1.000 peak  1012 spectrum    3 weight  0.11000E+01 volume  0.36266E-02 ppm1      8.141 ppm2      1.391 CV     1
 ASSI { 1019}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     4.000     2.000 peak  1019 spectrum    3 weight  0.11000E+01 volume  0.66409E-03 ppm1      7.909 ppm2      8.094 CV     1
 ASSI { 1020}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.900     1.000     1.000 peak  1020 spectrum    3 weight  0.11000E+01 volume  0.16706E-02 ppm1      7.909 ppm2      8.531 CV     1
 ASSI { 1021}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.500     1.500 peak  1021 spectrum    3 weight  0.11000E+01 volume  0.70165E-03 ppm1      7.909 ppm2      8.732 CV     1
 ASSI { 1022}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak  1022 spectrum    3 weight  0.11000E+01 volume  0.15392E-02 ppm1      7.909 ppm2      4.263 CV     1
 ASSI { 1023}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA1 ))
      2.900     2.900     3.100 peak  1023 spectrum    3 weight  0.11000E+01 volume  0.16026E-02 ppm1      7.910 ppm2      3.927 CV     1
 ASSI { 1024}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      5.400     3.700     0.600 peak  1024 spectrum    3 weight  0.11000E+01 volume  0.29188E-03 ppm1      7.909 ppm2      4.545 CV     1
 ASSI { 1028}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 71   and name HD2%)
      4.900     4.900     1.100 peak  1028 spectrum    3 weight  0.11000E+01 volume  0.38060E-03 ppm1      7.907 ppm2      0.460 CV     1
 ASSI { 1030}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.800     1.800     1.800 peak  1030 spectrum    3 weight  0.11000E+01 volume  0.88078E-03 ppm1      7.330 ppm2      8.398 CV     1
 ASSI { 1031}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak  1031 spectrum    3 weight  0.11000E+01 volume  0.54996E-02 ppm1      7.333 ppm2      8.629 CV     1
 ASSI { 1032}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      4.300     4.300     1.700 peak  1032 spectrum    3 weight  0.11000E+01 volume  0.46795E-03 ppm1      7.334 ppm2      7.134 CV     1
 ASSI { 1033}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 17   and name HZ2 ))
      4.500     2.600     1.500 peak  1033 spectrum    3 weight  0.11000E+01 volume  0.38366E-03 ppm1      7.334 ppm2      6.997 CV     1
 ASSI { 1035}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  1035 spectrum    3 weight  0.11000E+01 volume  0.22437E-02 ppm1      7.332 ppm2      4.284 CV     1
 ASSI { 1037}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      4.400     4.400     1.600 peak  1037 spectrum    3 weight  0.11000E+01 volume  0.68706E-03 ppm1      7.333 ppm2      3.947 CV     1
 ASSI { 1038}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.100     4.100     1.900 peak  1038 spectrum    3 weight  0.11000E+01 volume  0.85728E-03 ppm1      7.333 ppm2      3.835 CV     1
 ASSI { 1039}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HD1 ))
      4.700     4.700     1.300 peak  1039 spectrum    3 weight  0.11000E+01 volume  0.42633E-03 ppm1      7.334 ppm2      3.290 CV     1
 ASSI { 1040}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.000     4.000     2.000 peak  1040 spectrum    3 weight  0.11000E+01 volume  0.57189E-03 ppm1      7.331 ppm2      2.790 CV     1
 ASSI { 1041}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.700     4.700     1.300 peak  1041 spectrum    3 weight  0.11000E+01 volume  0.36519E-03 ppm1      7.333 ppm2      2.585 CV     1
 ASSI { 1045}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 13   and name HD1%)
      4.000     2.000     2.000 peak  1045 spectrum    3 weight  0.11000E+01 volume  0.41499E-03 ppm1      7.331 ppm2      0.986 CV     1
 ASSI { 1046}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.700     1.700     1.700 peak  1046 spectrum    3 weight  0.11000E+01 volume  0.52471E-03 ppm1      7.331 ppm2      0.888 CV     1
 ASSI { 1048}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.800     2.800     3.200 peak  1048 spectrum    3 weight  0.11000E+01 volume  0.74338E-03 ppm1      7.333 ppm2      1.662 CV     1
 ASSI { 1049}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.200     3.200     2.800 peak  1049 spectrum    3 weight  0.11000E+01 volume  0.12691E-02 ppm1      7.333 ppm2      4.577 CV     1
 ASSI { 1050}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 17   and name HE1 ))
      4.700     2.700     1.300 peak  1050 spectrum    3 weight  0.11000E+01 volume  0.17169E-03 ppm1      7.333 ppm2     10.466 CV     1
 ASSI { 1052}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak  1052 spectrum    3 weight  0.11000E+01 volume  0.45904E-03 ppm1      8.440 ppm2      7.528 CV     1
 ASSI { 1053}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     3.000     3.000 peak  1053 spectrum    3 weight  0.11000E+01 volume  0.14814E-02 ppm1      8.440 ppm2      4.594 CV     1
 ASSI { 1054}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.800     2.800     3.200 peak  1054 spectrum    3 weight  0.11000E+01 volume  0.33517E-02 ppm1      8.436 ppm2      2.473 CV     1
 OR { 1054}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI { 1058}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HD2%)
      4.500     2.600     1.500 peak  1058 spectrum    3 weight  0.11000E+01 volume  0.63619E-03 ppm1      8.438 ppm2      0.411 CV     1
 ASSI { 1059}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HD1%)
      4.200     4.200     1.800 peak  1059 spectrum    3 weight  0.11000E+01 volume  0.11545E-02 ppm1      8.440 ppm2      0.057 CV     1
 ASSI { 1060}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      1.600     0.300     0.600 peak  1060 spectrum    3 weight  0.11000E+01 volume  0.44811E-01 ppm1      8.253 ppm2      8.258 CV     1
 ASSI { 1064}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     2.500     3.500 peak  1064 spectrum    3 weight  0.11000E+01 volume  0.92796E-02 ppm1      8.257 ppm2      4.349 CV     1
 ASSI { 1070}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.600     1.600     1.600 peak  1070 spectrum    3 weight  0.11000E+01 volume  0.27310E-02 ppm1      8.253 ppm2      1.168 CV     1
 ASSI { 1073}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      1.600     1.600     4.400 peak  1073 spectrum    3 weight  0.11000E+01 volume  0.22230E-01 ppm1      7.570 ppm2      7.584 CV     1
 ASSI { 1074}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak  1074 spectrum    3 weight  0.11000E+01 volume  0.48973E-02 ppm1      7.570 ppm2      7.351 CV     1
 ASSI { 1075}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HD% )
      4.600     4.600     1.400 peak  1075 spectrum    3 weight  0.11000E+01 volume  0.76363E-03 ppm1      7.570 ppm2      7.142 CV     1
 ASSI { 1076}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      5.200     5.200     0.800 peak  1076 spectrum    3 weight  0.11000E+01 volume  0.68046E-03 ppm1      7.570 ppm2      7.811 CV     1
 ASSI { 1077}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak  1077 spectrum    3 weight  0.11000E+01 volume  0.23585E-02 ppm1      7.573 ppm2      4.932 CV     1
 ASSI { 1079}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     3.900     2.100 peak  1079 spectrum    3 weight  0.11000E+01 volume  0.82088E-03 ppm1      7.570 ppm2      3.934 CV     1
 ASSI { 1081}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.400     1.400 peak  1081 spectrum    3 weight  0.11000E+01 volume  0.10263E-02 ppm1      7.570 ppm2      3.539 CV     1
 ASSI { 1083}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.800     1.000     1.000 peak  1083 spectrum    3 weight  0.11000E+01 volume  0.42719E-02 ppm1      7.570 ppm2      3.074 CV     1
 ASSI { 1084}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak  1084 spectrum    3 weight  0.11000E+01 volume  0.38594E-02 ppm1      7.570 ppm2      2.713 CV     1
 ASSI { 1086}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
      3.800     3.800     2.200 peak  1086 spectrum    3 weight  0.11000E+01 volume  0.15137E-02 ppm1      7.570 ppm2      1.819 CV     1
 ASSI { 1088}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      4.400     2.400     1.600 peak  1088 spectrum    3 weight  0.11000E+01 volume  0.57872E-03 ppm1      7.570 ppm2      0.773 CV     1
 ASSI { 1090}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     2.200     3.800 peak  1090 spectrum    3 weight  0.11000E+01 volume  0.11707E-01 ppm1      8.107 ppm2      8.107 CV     1
 ASSI { 1091}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  1091 spectrum    3 weight  0.11000E+01 volume  0.63377E-03 ppm1      8.107 ppm2      8.416 CV     1
 ASSI { 1094}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.100     4.100     1.900 peak  1094 spectrum    3 weight  0.11000E+01 volume  0.45035E-03 ppm1      8.106 ppm2      4.399 CV     1
 ASSI { 1095}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.100     1.100 peak  1095 spectrum    3 weight  0.11000E+01 volume  0.23846E-02 ppm1      8.106 ppm2      4.214 CV     1
 ASSI { 1096}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      4.100     2.100     1.900 peak  1096 spectrum    3 weight  0.11000E+01 volume  0.91822E-03 ppm1      8.114 ppm2      3.956 CV     1
 ASSI { 1100}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB  ))
      2.700     0.900     0.900 peak  1100 spectrum    3 weight  0.11000E+01 volume  0.15780E-02 ppm1      8.113 ppm2      1.866 CV     1
 ASSI { 1102}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HG2%)
      3.000     1.100     1.100 peak  1102 spectrum    3 weight  0.11000E+01 volume  0.19409E-02 ppm1      8.115 ppm2      0.719 CV     1
 OR { 1102}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HG1%)
 ASSI { 1107}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.200     1.300     1.300 peak  1107 spectrum    3 weight  0.11000E+01 volume  0.95649E-03 ppm1      7.817 ppm2      8.147 CV     1
 ASSI { 1108}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak  1108 spectrum    3 weight  0.11000E+01 volume  0.92628E-03 ppm1      7.819 ppm2      8.522 CV     1
 ASSI { 1110}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.300     1.300 peak  1110 spectrum    3 weight  0.11000E+01 volume  0.12518E-02 ppm1      7.811 ppm2      4.075 CV     1
 ASSI { 1118}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.100     0.500     0.500 peak  1118 spectrum    3 weight  0.11000E+01 volume  0.10849E-01 ppm1      8.442 ppm2      4.771 CV     1
 ASSI { 1124}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.100     3.100     2.900 peak  1124 spectrum    3 weight  0.11000E+01 volume  0.99266E-03 ppm1      8.114 ppm2      3.358 CV     1
 ASSI { 1125}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      4.400     4.400     1.600 peak  1125 spectrum    3 weight  0.11000E+01 volume  0.45012E-03 ppm1      8.109 ppm2      3.114 CV     1
 ASSI { 1127}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak  1127 spectrum    3 weight  0.11000E+01 volume  0.48686E-03 ppm1      8.867 ppm2      3.713 CV     1
 ASSI { 1128}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.600     2.600     1.400 peak  1128 spectrum    3 weight  0.11000E+01 volume  0.26797E-03 ppm1      8.871 ppm2      4.011 CV     1
 ASSI { 1130}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.800     2.800     1.200 peak  1130 spectrum    3 weight  0.11000E+01 volume  0.36708E-03 ppm1      8.533 ppm2      1.738 CV     1
 ASSI { 1131}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      4.300     4.300     1.700 peak  1131 spectrum    3 weight  0.11000E+01 volume  0.52859E-03 ppm1      8.533 ppm2      1.851 CV     1
 ASSI { 1134}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  1134 spectrum    3 weight  0.11000E+01 volume  0.26887E-02 ppm1      7.542 ppm2      7.321 CV     1
 ASSI { 1136}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.200     4.200     1.800 peak  1136 spectrum    3 weight  0.11000E+01 volume  0.39843E-03 ppm1      7.538 ppm2      7.907 CV     1
 ASSI { 1137}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak  1137 spectrum    3 weight  0.11000E+01 volume  0.16988E-02 ppm1      7.541 ppm2      4.018 CV     1
 ASSI { 1138}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.400     3.400     2.600 peak  1138 spectrum    3 weight  0.11000E+01 volume  0.11932E-02 ppm1      7.542 ppm2      3.668 CV     1
 ASSI { 1140}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.900     1.100     1.100 peak  1140 spectrum    3 weight  0.11000E+01 volume  0.37382E-02 ppm1      7.542 ppm2      1.645 CV     1
 ASSI { 1141}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.600     0.900     0.900 peak  1141 spectrum    3 weight  0.11000E+01 volume  0.24038E-02 ppm1      7.543 ppm2      1.377 CV     1
 ASSI { 1142}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      3.700     3.700     2.300 peak  1142 spectrum    3 weight  0.11000E+01 volume  0.12703E-02 ppm1      7.542 ppm2      1.049 CV     1
 ASSI { 1143}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.800     1.800     1.800 peak  1143 spectrum    3 weight  0.11000E+01 volume  0.21138E-02 ppm1      7.541 ppm2      0.817 CV     1
 ASSI { 1149}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     1.000     1.000 peak  1149 spectrum    3 weight  0.11000E+01 volume  0.26463E-02 ppm1      7.548 ppm2      8.199 CV     1
 ASSI { 1150}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.600     1.600 peak  1150 spectrum    3 weight  0.11000E+01 volume  0.70299E-03 ppm1      7.553 ppm2      4.029 CV     1
 ASSI { 1151}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     2.900     3.100 peak  1151 spectrum    3 weight  0.11000E+01 volume  0.26232E-02 ppm1      7.547 ppm2      3.874 CV     1
 ASSI { 1153}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     1.600     1.600 peak  1153 spectrum    3 weight  0.11000E+01 volume  0.79888E-03 ppm1      7.555 ppm2      3.605 CV     1
 ASSI { 1156}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.600     0.800     0.800 peak  1156 spectrum    3 weight  0.11000E+01 volume  0.66487E-02 ppm1      7.547 ppm2      1.912 CV     1
 ASSI { 1158}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      2.700     2.700     3.300 peak  1158 spectrum    3 weight  0.11000E+01 volume  0.36560E-02 ppm1      7.547 ppm2      1.369 CV     1
 ASSI { 1159}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.200     2.200     3.800 peak  1159 spectrum    3 weight  0.11000E+01 volume  0.15927E-01 ppm1      7.628 ppm2      7.629 CV     1
 ASSI { 1160}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak  1160 spectrum    3 weight  0.11000E+01 volume  0.17321E-02 ppm1      7.628 ppm2      8.231 CV     1
 ASSI { 1161}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.500     1.600     1.600 peak  1161 spectrum    3 weight  0.11000E+01 volume  0.10403E-02 ppm1      7.630 ppm2      4.112 CV     1
 ASSI { 1162}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     2.900     3.100 peak  1162 spectrum    3 weight  0.11000E+01 volume  0.25515E-02 ppm1      7.628 ppm2      3.922 CV     1
 ASSI { 1163}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.500     3.500     2.500 peak  1163 spectrum    3 weight  0.11000E+01 volume  0.86903E-03 ppm1      7.628 ppm2      3.573 CV     1
 ASSI { 1166}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HG2%)
      3.800     3.800     2.200 peak  1166 spectrum    3 weight  0.11000E+01 volume  0.92147E-03 ppm1      7.630 ppm2      0.732 CV     1
 ASSI { 1169}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HG12))
      4.400     2.500     1.600 peak  1169 spectrum    3 weight  0.11000E+01 volume  0.10657E-02 ppm1      7.630 ppm2      0.880 CV     1
 ASSI { 1170}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HE1 ))
      5.400     3.700     0.600 peak  1170 spectrum    3 weight  0.11000E+01 volume  0.40104E-03 ppm1      7.630 ppm2      2.918 CV     1
 ASSI { 1171}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE1 ))
      4.500     4.500     1.500 peak  1171 spectrum    3 weight  0.11000E+01 volume  0.32523E-03 ppm1      7.547 ppm2      2.897 CV     1
 ASSI { 1172}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      4.000     2.000     2.000 peak  1172 spectrum    3 weight  0.11000E+01 volume  0.53079E-03 ppm1      7.547 ppm2      4.307 CV     1
 ASSI { 1173}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.600     1.600     1.600 peak  1173 spectrum    3 weight  0.11000E+01 volume  0.11248E-02 ppm1      7.628 ppm2      4.408 CV     1
 ASSI { 1175}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.700     3.700     2.300 peak  1175 spectrum    3 weight  0.11000E+01 volume  0.22622E-02 ppm1      7.543 ppm2      0.902 CV     1
 ASSI { 1176}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.800     1.000     1.000 peak  1176 spectrum    3 weight  0.11000E+01 volume  0.21121E-02 ppm1      7.544 ppm2      7.680 CV     1
 ASSI { 1202}
   (( segid "    " and resid 84   and name HD21))
   (( segid "    " and resid 84   and name HD22))
      1.800     0.400     0.400 peak  1202 spectrum    3 weight  0.11000E+01 volume  0.14817E-01 ppm1      7.758 ppm2      6.749 CV     1
 ASSI { 1203}
   (( segid "    " and resid 84   and name HD21))
   (( segid "    " and resid 85   and name HN  ))
      2.000     0.500     0.500 peak  1203 spectrum    3 weight  0.11000E+01 volume  0.14105E-01 ppm1      7.758 ppm2      7.756 CV     1
 ASSI { 1206}
   (( segid "    " and resid 84   and name HD22))
   (( segid "    " and resid 84   and name HB1 ))
      4.300     2.300     1.700 peak  1206 spectrum    3 weight  0.11000E+01 volume  0.97860E-03 ppm1      6.753 ppm2      2.937 CV     1
 ASSI { 1212}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      4.000     2.000     2.000 peak  1212 spectrum    3 weight  0.11000E+01 volume  0.41574E-03 ppm1      8.757 ppm2      4.631 CV     1
 ASSI { 1218}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 91   and name HG12))
      4.500     2.500     1.500 peak  1218 spectrum    3 weight  0.11000E+01 volume  0.21059E-03 ppm1      6.939 ppm2      1.194 CV     1
 ASSI { 1219}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 90   and name HN  ))
      5.300     5.300     0.700 peak  1219 spectrum    3 weight  0.11000E+01 volume  0.24835E-03 ppm1      6.946 ppm2      7.648 CV     1
 ASSI { 1221}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 41   and name HG1 ))
      3.400     3.400     2.600 peak  1221 spectrum    3 weight  0.11000E+01 volume  0.22245E-03 ppm1      6.947 ppm2      2.258 CV     1
 ASSI { 1222}
   (( segid "    " and resid 42   and name HD21))
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.800     0.800 peak  1222 spectrum    3 weight  0.11000E+01 volume  0.43606E-02 ppm1      8.229 ppm2      4.770 CV     1
 ASSI { 1223}
   (( segid "    " and resid 42   and name HD22))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak  1223 spectrum    3 weight  0.11000E+01 volume  0.42860E-02 ppm1      6.944 ppm2      4.771 CV     1
 ASSI { 1228}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD21))
      1.800     0.400     0.400 peak  1228 spectrum    3 weight  0.11000E+01 volume  0.18081E-01 ppm1      7.737 ppm2      7.739 CV     1
 ASSI { 1229}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.800     1.800     1.800 peak  1229 spectrum    3 weight  0.11000E+01 volume  0.65726E-03 ppm1      7.742 ppm2      5.203 CV     1
 ASSI { 1231}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak  1231 spectrum    3 weight  0.11000E+01 volume  0.31145E-02 ppm1      7.740 ppm2      4.409 CV     1
 ASSI { 1232}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      3.800     1.800     1.800 peak  1232 spectrum    3 weight  0.11000E+01 volume  0.12136E-02 ppm1      7.740 ppm2      3.590 CV     1
 ASSI { 1234}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.900     1.900     1.900 peak  1234 spectrum    3 weight  0.11000E+01 volume  0.15089E-02 ppm1      7.742 ppm2      2.268 CV     1
 OR { 1234}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
 ASSI { 1236}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     3.100     2.900 peak  1236 spectrum    3 weight  0.11000E+01 volume  0.10016E-02 ppm1      7.743 ppm2      1.887 CV     1
 ASSI { 1237}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
      3.300     3.300     2.700 peak  1237 spectrum    3 weight  0.11000E+01 volume  0.76195E-03 ppm1      7.744 ppm2      1.738 CV     1
 ASSI { 1239}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.300     1.300 peak  1239 spectrum    3 weight  0.11000E+01 volume  0.11069E-02 ppm1      7.774 ppm2      8.267 CV     1
 ASSI { 1241}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      4.100     4.100     1.900 peak  1241 spectrum    3 weight  0.11000E+01 volume  0.44490E-03 ppm1      7.775 ppm2      8.701 CV     1
 ASSI { 1243}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.700     0.900     0.900 peak  1243 spectrum    3 weight  0.11000E+01 volume  0.41984E-02 ppm1      7.774 ppm2      3.865 CV     1
 ASSI { 1244}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      4.100     2.100     1.900 peak  1244 spectrum    3 weight  0.11000E+01 volume  0.54642E-03 ppm1      7.779 ppm2      3.259 CV     1
 ASSI { 1247}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     0.900     0.900 peak  1247 spectrum    3 weight  0.11000E+01 volume  0.26402E-02 ppm1      8.317 ppm2      4.374 CV     1
 ASSI { 1248}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.800     2.800     3.200 peak  1248 spectrum    3 weight  0.11000E+01 volume  0.14688E-02 ppm1      8.307 ppm2      0.735 CV     1
 ASSI { 1254}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     3.000     3.000 peak  1254 spectrum    3 weight  0.11000E+01 volume  0.16269E-02 ppm1      7.673 ppm2      8.232 CV     1
 ASSI { 1255}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.200     3.200     2.800 peak  1255 spectrum    3 weight  0.11000E+01 volume  0.12533E-02 ppm1      7.675 ppm2      4.132 CV     1
 ASSI { 1256}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak  1256 spectrum    3 weight  0.11000E+01 volume  0.57641E-03 ppm1      7.675 ppm2      4.388 CV     1
 ASSI { 1257}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.700     1.700     1.700 peak  1257 spectrum    3 weight  0.11000E+01 volume  0.73752E-03 ppm1      7.675 ppm2      3.588 CV     1
 ASSI { 1258}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.900     3.900     2.100 peak  1258 spectrum    3 weight  0.11000E+01 volume  0.94097E-03 ppm1      7.676 ppm2      2.883 CV     1
 ASSI { 1259}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.500     1.600     1.600 peak  1259 spectrum    3 weight  0.11000E+01 volume  0.36106E-02 ppm1      7.675 ppm2      2.071 CV     1
 ASSI { 1260}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.900     2.900     3.100 peak  1260 spectrum    3 weight  0.11000E+01 volume  0.12568E-02 ppm1      7.675 ppm2      1.399 CV     1
 ASSI { 1261}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.600     3.600     2.400 peak  1261 spectrum    3 weight  0.11000E+01 volume  0.18205E-02 ppm1      7.675 ppm2      0.950 CV     1
 ASSI { 1264}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     3.000     3.000 peak  1264 spectrum    3 weight  0.11000E+01 volume  0.15812E-02 ppm1      8.214 ppm2      3.577 CV     1
 ASSI { 1272}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.500     1.500 peak  1272 spectrum    3 weight  0.11000E+01 volume  0.38019E-03 ppm1      8.866 ppm2      3.052 CV     1
 ASSI { 1276}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.900     1.900     1.900 peak  1276 spectrum    3 weight  0.11000E+01 volume  0.85959E-03 ppm1      8.601 ppm2      7.819 CV     1
 ASSI { 1277}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.900     3.000     1.100 peak  1277 spectrum    3 weight  0.11000E+01 volume  0.30488E-03 ppm1      8.602 ppm2      7.293 CV     1
 ASSI { 1278}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.200     0.600     0.600 peak  1278 spectrum    3 weight  0.11000E+01 volume  0.90733E-02 ppm1      8.601 ppm2      4.529 CV     1
 ASSI { 1279}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.300     3.300     2.700 peak  1279 spectrum    3 weight  0.11000E+01 volume  0.12532E-02 ppm1      8.603 ppm2      3.964 CV     1
 OR { 1279}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1281}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.500     2.500     1.500 peak  1281 spectrum    3 weight  0.11000E+01 volume  0.80149E-03 ppm1      8.600 ppm2      2.646 CV     1
 ASSI { 1284}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.400     2.400     1.600 peak  1284 spectrum    3 weight  0.11000E+01 volume  0.53258E-03 ppm1      8.604 ppm2      2.763 CV     1
 ASSI { 1287}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.100     2.100     3.900 peak  1287 spectrum    3 weight  0.11000E+01 volume  0.15848E-01 ppm1      8.219 ppm2      8.222 CV     1
 ASSI { 1288}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.900     3.900     2.100 peak  1288 spectrum    3 weight  0.11000E+01 volume  0.58323E-03 ppm1      8.222 ppm2      8.428 CV     1
 ASSI { 1291}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.600     3.600     2.400 peak  1291 spectrum    3 weight  0.11000E+01 volume  0.70269E-03 ppm1      8.219 ppm2      4.372 CV     1
 ASSI { 1292}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA1 ))
      3.100     1.200     1.200 peak  1292 spectrum    3 weight  0.11000E+01 volume  0.20309E-02 ppm1      8.223 ppm2      3.941 CV     1
 ASSI { 1295}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      1.900     0.500     0.500 peak  1295 spectrum    3 weight  0.11000E+01 volume  0.20308E-01 ppm1      8.153 ppm2      8.155 CV     1
 ASSI { 1299}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD1 ))
      4.400     4.400     1.600 peak  1299 spectrum    3 weight  0.11000E+01 volume  0.70500E-03 ppm1      8.152 ppm2      3.221 CV     1
 ASSI { 1300}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      4.000     2.000     2.000 peak  1300 spectrum    3 weight  0.11000E+01 volume  0.68180E-03 ppm1      8.156 ppm2      2.365 CV     1
 ASSI { 1302}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      4.100     2.100     1.900 peak  1302 spectrum    3 weight  0.11000E+01 volume  0.66409E-03 ppm1      8.156 ppm2      1.590 CV     1
 ASSI { 1304}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.900     2.900     3.100 peak  1304 spectrum    3 weight  0.11000E+01 volume  0.24220E-02 ppm1      8.158 ppm2      2.114 CV     1
 ASSI { 1306}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      1.800     0.400     0.400 peak  1306 spectrum    3 weight  0.11000E+01 volume  0.27508E-01 ppm1      8.086 ppm2      8.090 CV     1
 ASSI { 1313}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD% )
      4.400     2.400     1.600 peak  1313 spectrum    3 weight  0.11000E+01 volume  0.94884E-03 ppm1      7.985 ppm2      7.095 CV     1
 ASSI { 1316}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.000     1.100     1.100 peak  1316 spectrum    3 weight  0.11000E+01 volume  0.15364E-02 ppm1      7.985 ppm2      8.867 CV     1
 ASSI { 1318}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak  1318 spectrum    3 weight  0.11000E+01 volume  0.27483E-02 ppm1      7.986 ppm2      3.278 CV     1
 OR { 1318}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1319}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak  1319 spectrum    3 weight  0.11000E+01 volume  0.12380E-02 ppm1      7.986 ppm2      3.707 CV     1
 ASSI { 1322}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.100     3.100     2.900 peak  1322 spectrum    3 weight  0.11000E+01 volume  0.18847E-02 ppm1      8.016 ppm2      4.412 CV     1
 ASSI { 1323}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA1 ))
      2.900     2.900     3.100 peak  1323 spectrum    3 weight  0.11000E+01 volume  0.28069E-02 ppm1      8.012 ppm2      3.964 CV     1
 ASSI { 1325}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.000     4.000     2.000 peak  1325 spectrum    3 weight  0.11000E+01 volume  0.42946E-03 ppm1      8.001 ppm2      4.401 CV     1
 ASSI { 1327}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak  1327 spectrum    3 weight  0.11000E+01 volume  0.15655E-02 ppm1      7.988 ppm2      4.170 CV     1
 ASSI { 1328}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
      4.700     2.700     1.300 peak  1328 spectrum    3 weight  0.11000E+01 volume  0.24636E-03 ppm1      7.985 ppm2      2.234 CV     1
 ASSI { 1329}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 15   and name HD2 ))
      4.100     2.100     1.900 peak  1329 spectrum    3 weight  0.11000E+01 volume  0.36057E-03 ppm1      7.579 ppm2      7.096 CV     1
 ASSI { 1330}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 15   and name HD2 ))
      4.500     2.500     1.500 peak  1330 spectrum    3 weight  0.11000E+01 volume  0.29796E-03 ppm1      6.859 ppm2      7.080 CV     1
 ASSI { 1332}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.700     2.800     1.300 peak  1332 spectrum    3 weight  0.11000E+01 volume  0.56622E-03 ppm1      8.534 ppm2      2.121 CV     1
 ASSI { 1340}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.600     2.600     1.400 peak  1340 spectrum    3 weight  0.11000E+01 volume  0.24888E-03 ppm1      7.570 ppm2      8.198 CV     1
 ASSI { 1345}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HG12))
      4.700     4.700     1.300 peak  1345 spectrum    3 weight  0.11000E+01 volume  0.45516E-03 ppm1      7.364 ppm2      0.928 CV     1
 ASSI { 1349}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.700     4.000     0.300 peak  1349 spectrum    3 weight  0.11000E+01 volume  0.29083E-03 ppm1      7.378 ppm2      2.508 CV     1
 ASSI { 1355}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      4.100     4.100     1.900 peak  1355 spectrum    3 weight  0.11000E+01 volume  0.59822E-03 ppm1      8.115 ppm2      3.818 CV     1
 ASSI { 1358}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak  1358 spectrum    3 weight  0.11000E+01 volume  0.59244E-03 ppm1      7.901 ppm2      8.558 CV     1
 ASSI { 1359}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     2.800     3.200 peak  1359 spectrum    3 weight  0.11000E+01 volume  0.32897E-02 ppm1      7.901 ppm2      3.939 CV     1
 ASSI { 1361}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.500     2.500     3.500 peak  1361 spectrum    3 weight  0.11000E+01 volume  0.48749E-02 ppm1      7.901 ppm2      2.220 CV     1
 OR { 1361}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1362}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak  1362 spectrum    3 weight  0.11000E+01 volume  0.17211E-02 ppm1      7.883 ppm2      4.247 CV     1
 ASSI { 1363}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak  1363 spectrum    3 weight  0.11000E+01 volume  0.58439E-03 ppm1      7.888 ppm2      3.335 CV     1
 ASSI { 1364}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.700     1.700     1.700 peak  1364 spectrum    3 weight  0.11000E+01 volume  0.15915E-02 ppm1      7.897 ppm2      2.463 CV     1
 OR { 1364}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
 ASSI { 1365}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
      3.100     3.100     2.900 peak  1365 spectrum    3 weight  0.11000E+01 volume  0.44904E-02 ppm1      7.889 ppm2      1.645 CV     1
 ASSI { 1368}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  1368 spectrum    3 weight  0.11000E+01 volume  0.19567E-02 ppm1      7.884 ppm2      7.332 CV     1
 ASSI { 1370}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak  1370 spectrum    3 weight  0.11000E+01 volume  0.13481E-02 ppm1      7.899 ppm2      4.556 CV     1
 ASSI { 1371}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak  1371 spectrum    3 weight  0.11000E+01 volume  0.70813E-03 ppm1      7.887 ppm2      3.552 CV     1
 ASSI { 1372}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.000     3.000     3.000 peak  1372 spectrum    3 weight  0.11000E+01 volume  0.17240E-02 ppm1      7.887 ppm2      3.705 CV     1
 ASSI { 1373}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  1373 spectrum    3 weight  0.11000E+01 volume  0.22810E-02 ppm1      7.901 ppm2      8.324 CV     1
 ASSI { 1374}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     3.400     2.600 peak  1374 spectrum    3 weight  0.11000E+01 volume  0.22844E-02 ppm1      7.903 ppm2      8.053 CV     1
 ASSI { 1375}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.900     1.000     1.000 peak  1375 spectrum    3 weight  0.11000E+01 volume  0.20469E-02 ppm1      7.903 ppm2      7.687 CV     1
 ASSI { 1390}
   (( segid "    " and resid 45   and name HE21))
   (( segid "    " and resid 45   and name HA  ))
      4.900     4.900     1.100 peak  1390 spectrum    3 weight  0.11000E+01 volume  0.23451E-03 ppm1      7.843 ppm2      3.936 CV     1
 ASSI { 1391}
   (( segid "    " and resid 45   and name HE22))
   (( segid "    " and resid 45   and name HA  ))
      3.500     3.500     2.500 peak  1391 spectrum    3 weight  0.11000E+01 volume  0.19277E-03 ppm1      6.886 ppm2      3.934 CV     1
 ASSI { 1393}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.900     1.000     1.000 peak  1393 spectrum    3 weight  0.11000E+01 volume  0.17345E-02 ppm1      8.291 ppm2      8.880 CV     1
 ASSI { 1395}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak  1395 spectrum    3 weight  0.11000E+01 volume  0.16641E-02 ppm1      8.319 ppm2      3.932 CV     1
 ASSI { 1396}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.500     1.500 peak  1396 spectrum    3 weight  0.11000E+01 volume  0.85172E-03 ppm1      8.320 ppm2      3.642 CV     1
 ASSI { 1397}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.600     1.600 peak  1397 spectrum    3 weight  0.11000E+01 volume  0.85750E-03 ppm1      8.319 ppm2      4.544 CV     1
 ASSI { 1398}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.700     2.700     3.300 peak  1398 spectrum    3 weight  0.11000E+01 volume  0.30978E-02 ppm1      8.320 ppm2      2.751 CV     1
 ASSI { 1399}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak  1399 spectrum    3 weight  0.11000E+01 volume  0.61240E-03 ppm1      8.308 ppm2      3.337 CV     1
 ASSI { 1400}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.900     1.100     1.100 peak  1400 spectrum    3 weight  0.11000E+01 volume  0.22951E-02 ppm1      8.290 ppm2      4.196 CV     1
 ASSI { 1402}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.000     1.100     1.100 peak  1402 spectrum    3 weight  0.11000E+01 volume  0.23644E-02 ppm1      8.291 ppm2      2.757 CV     1
 ASSI { 1405}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.700     0.900     0.900 peak  1405 spectrum    3 weight  0.11000E+01 volume  0.25667E-02 ppm1      8.320 ppm2      3.084 CV     1
 ASSI { 1407}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.000     1.100     1.100 peak  1407 spectrum    3 weight  0.11000E+01 volume  0.26515E-02 ppm1      8.319 ppm2      2.203 CV     1
 OR { 1407}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1408}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     3.900     2.100 peak  1408 spectrum    3 weight  0.11000E+01 volume  0.66263E-03 ppm1      8.306 ppm2     -0.083 CV     1
 ASSI { 1409}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD22))
      6.000     6.000     0.000 peak  1409 spectrum    3 weight  0.11000E+01 volume  0.30132E-03 ppm1      8.300 ppm2      6.772 CV     1
 ASSI { 1410}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 82   and name HD% )
      5.200     5.200     0.800 peak  1410 spectrum    3 weight  0.11000E+01 volume  0.21280E-03 ppm1      8.293 ppm2      7.048 CV     1
 ASSI { 1411}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.100     1.100 peak  1411 spectrum    3 weight  0.11000E+01 volume  0.20995E-02 ppm1      8.319 ppm2      8.100 CV     1
 ASSI { 1412}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.800     3.800     2.200 peak  1412 spectrum    3 weight  0.11000E+01 volume  0.68967E-03 ppm1      8.318 ppm2      7.561 CV     1
 ASSI { 1415}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HD1%)
      3.600     1.600     1.600 peak  1415 spectrum    3 weight  0.11000E+01 volume  0.19669E-02 ppm1      8.217 ppm2      0.693 CV     1
 ASSI { 1416}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG12))
      3.500     1.600     1.600 peak  1416 spectrum    3 weight  0.11000E+01 volume  0.23234E-02 ppm1      8.217 ppm2      0.882 CV     1
 ASSI { 1418}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG1 ))
      3.900     1.900     1.900 peak  1418 spectrum    3 weight  0.11000E+01 volume  0.11876E-02 ppm1      8.143 ppm2      2.254 CV     1
 ASSI { 1426}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HE1 ))
      5.100     3.200     0.900 peak  1426 spectrum    3 weight  0.11000E+01 volume  0.31621E-03 ppm1      7.264 ppm2      2.854 CV     1
 ASSI { 1428}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HG  ))
      4.500     2.600     1.500 peak  1428 spectrum    3 weight  0.11000E+01 volume  0.31705E-03 ppm1      8.855 ppm2      1.772 CV     1
 ASSI { 1431}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      4.500     2.500     1.500 peak  1431 spectrum    3 weight  0.11000E+01 volume  0.33865E-03 ppm1      8.025 ppm2      0.935 CV     1
 ASSI { 1432}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 53   and name HD1%)
      4.700     4.700     1.300 peak  1432 spectrum    3 weight  0.11000E+01 volume  0.38321E-03 ppm1      8.024 ppm2      0.762 CV     1
 ASSI { 1433}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HG11))
      5.000     5.000     1.000 peak  1433 spectrum    3 weight  0.11000E+01 volume  0.20315E-03 ppm1      8.025 ppm2      1.892 CV     1
 ASSI { 1434}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HD2 ))
      5.100     3.200     0.900 peak  1434 spectrum    3 weight  0.11000E+01 volume  0.29356E-03 ppm1      8.227 ppm2      7.097 CV     1
 ASSI { 1436}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HD21))
      5.000     5.000     1.000 peak  1436 spectrum    3 weight  0.11000E+01 volume  0.22654E-03 ppm1      8.227 ppm2      7.522 CV     1
 ASSI { 1437}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      4.400     2.400     1.600 peak  1437 spectrum    3 weight  0.11000E+01 volume  0.49786E-03 ppm1      8.225 ppm2      1.895 CV     1
 ASSI { 1438}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.200     2.200     1.800 peak  1438 spectrum    3 weight  0.11000E+01 volume  0.33142E-03 ppm1      8.224 ppm2      8.860 CV     1
 ASSI { 1439}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HD2%)
      5.200     3.400     0.800 peak  1439 spectrum    3 weight  0.11000E+01 volume  0.19570E-03 ppm1      8.227 ppm2      0.892 CV     1
 ASSI { 1441}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HD22))
      5.900     4.400     0.100 peak  1441 spectrum    3 weight  0.11000E+01 volume  0.21573E-03 ppm1      8.104 ppm2      7.364 CV     1
 ASSI { 1442}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HD21))
      5.200     3.400     0.800 peak  1442 spectrum    3 weight  0.11000E+01 volume  0.22056E-03 ppm1      8.103 ppm2      7.548 CV     1
 ASSI {    1}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.100     1.200     1.200 peak     1 spectrum    4 weight  0.11000E+01 volume  0.57861E-02 ppm1      7.182 ppm2      1.762 CV     1
 ASSI {    7}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 13   and name HB1 ))
      3.100     1.200     1.200 peak     7 spectrum    4 weight  0.11000E+01 volume  0.98774E-03 ppm1      7.179 ppm2      1.885 CV     1
 ASSI {    9}
   (( segid "    " and resid 17   and name HD1 ))
   (  segid "    " and resid 13   and name HD1%)
      2.800     2.800     3.200 peak     9 spectrum    4 weight  0.11000E+01 volume  0.32050E-02 ppm1      7.183 ppm2      0.967 CV     1
 ASSI {   10}
   (( segid "    " and resid 17   and name HD1 ))
   (  segid "    " and resid 13   and name HD2%)
      2.600     0.800     0.800 peak    10 spectrum    4 weight  0.11000E+01 volume  0.49700E-02 ppm1      7.181 ppm2      0.887 CV     1
 ASSI {   11}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 17   and name HZ3 ))
      3.600     1.600     1.600 peak    11 spectrum    4 weight  0.11000E+01 volume  0.15982E-02 ppm1      6.982 ppm2      6.394 CV     1
 ASSI {   14}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 68   and name HD1 ))
      3.800     1.800     1.800 peak    14 spectrum    4 weight  0.11000E+01 volume  0.67636E-03 ppm1      6.989 ppm2      3.135 CV     1
 ASSI {   15}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak    15 spectrum    4 weight  0.11000E+01 volume  0.15822E-02 ppm1      6.970 ppm2      2.802 CV     1
 ASSI {   27}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 75   and name HE1 ))
      3.800     1.800     1.800 peak    27 spectrum    4 weight  0.11000E+01 volume  0.59479E-03 ppm1      6.385 ppm2      3.115 CV     1
 ASSI {   33}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 86   and name HB1 ))
      3.600     1.600     1.600 peak    33 spectrum    4 weight  0.11000E+01 volume  0.19855E-02 ppm1      6.742 ppm2      2.799 CV     1
 ASSI {   35}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 86   and name HB2 ))
      3.700     1.700     1.700 peak    35 spectrum    4 weight  0.11000E+01 volume  0.15009E-02 ppm1      6.749 ppm2      2.263 CV     1
 ASSI {   36}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 90   and name HG11))
      3.500     1.500     1.500 peak    36 spectrum    4 weight  0.11000E+01 volume  0.10460E-02 ppm1      6.748 ppm2      1.383 CV     1
 ASSI {   37}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 90   and name HG12))
      3.400     1.500     1.500 peak    37 spectrum    4 weight  0.11000E+01 volume  0.12472E-02 ppm1      6.740 ppm2      1.196 CV     1
 ASSI {   39}
   (  segid "    " and resid 86   and name HE% )
   (  segid "    " and resid 50   and name HD1%)
      2.300     2.300     3.700 peak    39 spectrum    4 weight  0.11000E+01 volume  0.28557E-02 ppm1      6.746 ppm2      0.448 CV     1
 ASSI {   40}
   (  segid "    " and resid 86   and name HE% )
   (  segid "    " and resid 53   and name HG2%)
      2.100     2.100     3.900 peak    40 spectrum    4 weight  0.11000E+01 volume  0.43520E-02 ppm1      6.744 ppm2      0.946 CV     1
 ASSI {   44}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak    44 spectrum    4 weight  0.11000E+01 volume  0.41961E-03 ppm1      6.751 ppm2      3.270 CV     1
 ASSI {   45}
   (( segid "    " and resid 17   and name HH2 ))
   (  segid "    " and resid 21   and name HD% )
      4.500     4.500     1.500 peak    45 spectrum    4 weight  0.11000E+01 volume  0.44759E-03 ppm1      6.899 ppm2      7.545 CV     1
 ASSI {   46}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.100     2.100     1.900 peak    46 spectrum    4 weight  0.11000E+01 volume  0.76397E-03 ppm1      6.918 ppm2      7.340 CV     1
 ASSI {   49}
   (( segid "    " and resid 17   and name HH2 ))
   (  segid "    " and resid 20   and name HD% )
      4.700     4.700     1.300 peak    49 spectrum    4 weight  0.11000E+01 volume  0.52684E-03 ppm1      6.917 ppm2      6.635 CV     1
 ASSI {   50}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 68   and name HD1 ))
      2.900     1.000     1.000 peak    50 spectrum    4 weight  0.11000E+01 volume  0.25117E-02 ppm1      6.923 ppm2      3.130 CV     1
 ASSI {   52}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.000     1.100     1.100 peak    52 spectrum    4 weight  0.11000E+01 volume  0.13514E-02 ppm1      6.928 ppm2      1.747 CV     1
 ASSI {   58}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.800     0.800 peak    58 spectrum    4 weight  0.11000E+01 volume  0.43133E-02 ppm1      6.643 ppm2      4.290 CV     1
 ASSI {   60}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 20   and name HB2 ))
      2.700     0.900     0.900 peak    60 spectrum    4 weight  0.11000E+01 volume  0.32840E-02 ppm1      6.651 ppm2      2.923 CV     1
 ASSI {   65}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 20   and name HA  ))
      4.600     2.600     1.400 peak    65 spectrum    4 weight  0.11000E+01 volume  0.43860E-03 ppm1      6.886 ppm2      4.282 CV     1
 ASSI {   70}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 54   and name HD1%)
      3.700     1.800     1.800 peak    70 spectrum    4 weight  0.11000E+01 volume  0.71000E-03 ppm1      7.515 ppm2      0.219 CV     1
 ASSI {   71}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 54   and name HB1 ))
      3.400     1.400     1.400 peak    71 spectrum    4 weight  0.11000E+01 volume  0.94511E-03 ppm1      7.512 ppm2      0.689 CV     1
 ASSI {   84}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.400     1.400 peak    84 spectrum    4 weight  0.11000E+01 volume  0.30309E-02 ppm1      7.006 ppm2      5.199 CV     1
 ASSI {   86}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 24   and name HB2 ))
      2.500     0.800     0.800 peak    86 spectrum    4 weight  0.11000E+01 volume  0.47858E-02 ppm1      6.998 ppm2      2.899 CV     1
 ASSI {   88}
   (  segid "    " and resid 24   and name HD% )
   (  segid "    " and resid 71   and name HD1%)
      4.400     2.400     1.600 peak    88 spectrum    4 weight  0.11000E+01 volume  0.42260E-03 ppm1      6.995 ppm2      0.039 CV     1
 ASSI {   94}
   (  segid "    " and resid 24   and name HE% )
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak    94 spectrum    4 weight  0.11000E+01 volume  0.19635E-02 ppm1      6.628 ppm2      4.137 CV     1
 ASSI {   95}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
      3.500     3.500     2.500 peak    95 spectrum    4 weight  0.11000E+01 volume  0.25103E-02 ppm1      7.138 ppm2      3.712 CV     1
 ASSI {  103}
   (  segid "    " and resid 82   and name HD% )
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak   103 spectrum    4 weight  0.11000E+01 volume  0.56865E-02 ppm1      7.081 ppm2      3.269 CV     1
 ASSI {  117}
   (  segid "    " and resid 86   and name HD% )
   (( segid "    " and resid 86   and name HB2 ))
      2.700     0.900     0.900 peak   117 spectrum    4 weight  0.11000E+01 volume  0.44643E-02 ppm1      6.784 ppm2      2.261 CV     1
 ASSI {  118}
   (  segid "    " and resid 86   and name HD% )
   (  segid "    " and resid 53   and name HG2%)
      2.400     2.400     3.600 peak   118 spectrum    4 weight  0.11000E+01 volume  0.19196E-02 ppm1      6.787 ppm2      0.944 CV     1
 ASSI {  120}
   (  segid "    " and resid 86   and name HD% )
   (  segid "    " and resid 50   and name HD1%)
      2.400     2.400     3.600 peak   120 spectrum    4 weight  0.11000E+01 volume  0.17327E-02 ppm1      6.784 ppm2      0.463 CV     1
 OR {  120}
   (  segid "    " and resid 86   and name HE% )
   (  segid "    " and resid 50   and name HD1%)
 ASSI {  122}
   (  segid "    " and resid 86   and name HD% )
   (( segid "    " and resid 50   and name HA  ))
      3.400     1.400     1.400 peak   122 spectrum    4 weight  0.11000E+01 volume  0.10714E-02 ppm1      6.783 ppm2      3.269 CV     1
 ASSI {  127}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HB1 ))
      2.800     1.000     1.000 peak   127 spectrum    4 weight  0.11000E+01 volume  0.50204E-02 ppm1      7.067 ppm2      3.310 CV     1
 ASSI {  128}
   (( segid "    " and resid 77   and name HD2 ))
   (( segid "    " and resid 77   and name HB1 ))
      3.100     1.200     1.200 peak   128 spectrum    4 weight  0.11000E+01 volume  0.18896E-02 ppm1      7.088 ppm2      3.192 CV     1
 ASSI {  132}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   132 spectrum    4 weight  0.11000E+01 volume  0.23558E-02 ppm1      7.077 ppm2      4.396 CV     1
 ASSI {  133}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HB1 ))
      2.600     0.900     0.900 peak   133 spectrum    4 weight  0.11000E+01 volume  0.34938E-02 ppm1      7.075 ppm2      3.297 CV     1
 ASSI {  141}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 38   and name HB2 ))
      3.500     3.500     2.500 peak   141 spectrum    4 weight  0.11000E+01 volume  0.18410E-02 ppm1      7.128 ppm2      3.047 CV     1
 ASSI {  143}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 55   and name HG2%)
      3.800     1.800     1.800 peak   143 spectrum    4 weight  0.11000E+01 volume  0.12069E-02 ppm1      7.332 ppm2      1.371 CV     1
 ASSI {  149}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 38   and name HB1 ))
      3.100     3.100     2.900 peak   149 spectrum    4 weight  0.11000E+01 volume  0.37367E-02 ppm1      7.130 ppm2      3.200 CV     1
 ASSI {  150}
   (  segid "    " and resid 24   and name HE% )
   (  segid "    " and resid 71   and name HD1%)
      6.000     5.700     0.000 peak   150 spectrum    4 weight  0.11000E+01 volume  0.32303E-04 ppm1      6.618 ppm2      0.023 CV     1
 ASSI {  152}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 71   and name HD2%)
      3.400     3.400     2.600 peak   152 spectrum    4 weight  0.11000E+01 volume  0.14190E-02 ppm1      6.880 ppm2      0.409 CV     1
 ASSI {  154}
   (( segid "    " and resid 24   and name HZ  ))
   (  segid "    " and resid 71   and name HD1%)
      4.300     4.300     1.700 peak   154 spectrum    4 weight  0.11000E+01 volume  0.40529E-03 ppm1      7.158 ppm2      0.011 CV     1
 ASSI {  155}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 71   and name HD1%)
      4.600     4.600     1.400 peak   155 spectrum    4 weight  0.11000E+01 volume  0.35967E-03 ppm1      6.878 ppm2      0.011 CV     1
 ASSI {  157}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   157 spectrum    4 weight  0.11000E+01 volume  0.85187E-03 ppm1      7.499 ppm2      3.153 CV     1
 ASSI {  162}
   (  segid "    " and resid 86   and name HE% )
   (( segid "    " and resid 50   and name HB  ))
      3.600     1.600     1.600 peak   162 spectrum    4 weight  0.11000E+01 volume  0.48854E-03 ppm1      6.743 ppm2      1.613 CV     1
 ASSI {  169}
   (  segid "    " and resid 82   and name HD% )
   (  segid "    " and resid 54   and name HD1%)
      3.200     3.200     2.800 peak   169 spectrum    4 weight  0.11000E+01 volume  0.10850E-02 ppm1      7.078 ppm2      0.194 CV     1
 ASSI {  175}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.700     1.700 peak   175 spectrum    4 weight  0.11000E+01 volume  0.86355E-03 ppm1      6.384 ppm2      2.782 CV     1
 ASSI {  178}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 20   and name HB1 ))
      4.200     2.200     1.800 peak   178 spectrum    4 weight  0.11000E+01 volume  0.79828E-03 ppm1      6.873 ppm2      3.152 CV     1
 ASSI {  184}
   (  segid "    " and resid 82   and name HD% )
   (( segid "    " and resid 79   and name HA  ))
      2.800     2.800     3.200 peak   184 spectrum    4 weight  0.11000E+01 volume  0.27931E-02 ppm1      7.085 ppm2      3.697 CV     1
 ASSI {  185}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 79   and name HG2%)
      4.600     4.600     1.400 peak   185 spectrum    4 weight  0.11000E+01 volume  0.51121E-03 ppm1      7.546 ppm2      0.996 CV     1
 ASSI {  186}
   (  segid "    " and resid 24   and name HE% )
   (( segid "    " and resid 79   and name HA  ))
      5.500     3.800     0.500 peak   186 spectrum    4 weight  0.11000E+01 volume  0.27475E-03 ppm1      6.613 ppm2      3.713 CV     1
 ASSI {  187}
   (( segid "    " and resid 24   and name HZ  ))
   (( segid "    " and resid 79   and name HA  ))
      4.600     2.700     1.400 peak   187 spectrum    4 weight  0.11000E+01 volume  0.89782E-03 ppm1      7.170 ppm2      3.705 CV     1
 ASSI {  188}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 65   and name HG1 ))
      3.400     1.400     1.400 peak   188 spectrum    4 weight  0.11000E+01 volume  0.13867E-02 ppm1      6.974 ppm2      1.812 CV     1
 ASSI {  191}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 75   and name HE1 ))
      3.400     1.500     1.500 peak   191 spectrum    4 weight  0.11000E+01 volume  0.11793E-02 ppm1      6.873 ppm2      3.113 CV     1
 ASSI {    1}
   (( segid "    " and resid 21   and name HZ  ))
   (  segid "    " and resid 21   and name HE% )
      2.000     0.500     0.500 peak     1 spectrum    5 weight  0.11000E+01 volume  0.95570E-02 ppm1      7.554 ppm2      7.321 CV     1
 ASSI {    1}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 21   and name HE% )
      2.100     0.500     0.500 peak     1 spectrum    5 weight  0.11000E+01 volume  0.95693E-02 ppm1      7.515 ppm2      7.321 CV     1
 ASSI {    4}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 17   and name HZ3 ))
      2.400     0.700     0.700 peak     4 spectrum    5 weight  0.11000E+01 volume  0.44498E-02 ppm1      7.346 ppm2      6.393 CV     1
 ASSI {    6}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 17   and name HE3 ))
      2.600     0.800     0.800 peak     6 spectrum    5 weight  0.11000E+01 volume  0.37948E-02 ppm1      6.650 ppm2      7.343 CV     1
 ASSI {    8}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 17   and name HH2 ))
      2.300     0.700     0.700 peak     8 spectrum    5 weight  0.11000E+01 volume  0.57256E-02 ppm1      6.395 ppm2      6.914 CV     1
 ASSI {   11}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 17   and name HH2 ))
      2.200     0.600     0.600 peak    11 spectrum    5 weight  0.11000E+01 volume  0.10330E-01 ppm1      6.976 ppm2      6.916 CV     1
 ASSI {   15}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 17   and name HB1 ))
      2.900     1.100     1.100 peak    15 spectrum    5 weight  0.11000E+01 volume  0.12519E-02 ppm1      7.346 ppm2      3.686 CV     1
 ASSI {   20}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 82   and name HZ  ))
      2.100     2.100     3.900 peak    20 spectrum    5 weight  0.11000E+01 volume  0.10976E-01 ppm1      7.132 ppm2      7.316 CV     1
 ASSI {   22}
   (( segid "    " and resid 82   and name HZ  ))
   (  segid "    " and resid 82   and name HD% )
      3.300     1.300     1.300 peak    22 spectrum    5 weight  0.11000E+01 volume  0.27924E-02 ppm1      7.319 ppm2      7.084 CV     1
 ASSI {   24}
   (( segid "    " and resid 82   and name HZ  ))
   (  segid "    " and resid 86   and name HD% )
      2.800     1.000     1.000 peak    24 spectrum    5 weight  0.11000E+01 volume  0.27682E-02 ppm1      7.320 ppm2      6.785 CV     1
 ASSI {   26}
   (  segid "    " and resid 86   and name HD% )
   (( segid "    " and resid 86   and name HB1 ))
      2.400     0.700     0.700 peak    26 spectrum    5 weight  0.11000E+01 volume  0.42812E-02 ppm1      6.788 ppm2      2.768 CV     1
 ASSI {   27}
   (  segid "    " and resid 86   and name HD% )
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak    27 spectrum    5 weight  0.11000E+01 volume  0.42499E-02 ppm1      6.788 ppm2      3.716 CV     1
 ASSI {   28}
   (( segid "    " and resid 82   and name HZ  ))
   (  segid "    " and resid 86   and name HE% )
      3.400     1.400     1.400 peak    28 spectrum    5 weight  0.11000E+01 volume  0.11325E-02 ppm1      7.320 ppm2      6.741 CV     1
 ASSI {   29}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 86   and name HD% )
      2.900     2.900     3.100 peak    29 spectrum    5 weight  0.11000E+01 volume  0.21890E-02 ppm1      7.132 ppm2      6.786 CV     1
 ASSI {   30}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 86   and name HE% )
      3.600     3.600     2.400 peak    30 spectrum    5 weight  0.11000E+01 volume  0.10619E-02 ppm1      7.133 ppm2      6.741 CV     1
 ASSI {   33}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.600     0.800     0.800 peak    33 spectrum    5 weight  0.11000E+01 volume  0.24255E-02 ppm1      7.182 ppm2      3.423 CV     1
 ASSI {   34}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HB1 ))
      3.600     1.600     1.600 peak    34 spectrum    5 weight  0.11000E+01 volume  0.16883E-02 ppm1      7.181 ppm2      3.691 CV     1
 ASSI {   37}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak    37 spectrum    5 weight  0.11000E+01 volume  0.31494E-02 ppm1      7.516 ppm2      2.953 CV     1
 ASSI {   38}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 21   and name HB1 ))
      2.700     0.900     0.900 peak    38 spectrum    5 weight  0.11000E+01 volume  0.34096E-02 ppm1      7.516 ppm2      3.078 CV     1
 ASSI {   40}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HB1 ))
      4.500     2.500     1.500 peak    40 spectrum    5 weight  0.11000E+01 volume  0.40749E-03 ppm1      7.323 ppm2      3.077 CV     1
 ASSI {   41}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HB2 ))
      4.600     2.600     1.400 peak    41 spectrum    5 weight  0.11000E+01 volume  0.38665E-03 ppm1      7.323 ppm2      2.953 CV     1
 ASSI {   44}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 24   and name HB1 ))
      2.400     0.700     0.700 peak    44 spectrum    5 weight  0.11000E+01 volume  0.52654E-02 ppm1      7.014 ppm2      3.097 CV     1
 ASSI {   45}
   (  segid "    " and resid 24   and name HD% )
   (  segid "    " and resid 24   and name HE% )
      2.000     0.500     0.500 peak    45 spectrum    5 weight  0.11000E+01 volume  0.14468E-01 ppm1      7.013 ppm2      6.628 CV     1
 ASSI {   48}
   (  segid "    " and resid 24   and name HE% )
   (( segid "    " and resid 24   and name HZ  ))
      2.100     0.500     0.500 peak    48 spectrum    5 weight  0.11000E+01 volume  0.96980E-02 ppm1      6.631 ppm2      7.161 CV     1
 ASSI {   50}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 20   and name HB1 ))
      2.500     0.800     0.800 peak    50 spectrum    5 weight  0.11000E+01 volume  0.37631E-02 ppm1      6.650 ppm2      3.170 CV     1
 ASSI {   51}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 20   and name HB1 ))
      3.300     3.300     2.700 peak    51 spectrum    5 weight  0.11000E+01 volume  0.14302E-02 ppm1      7.516 ppm2      3.160 CV     1
 ASSI {   53}
   (  segid "    " and resid 20   and name HD% )
   (  segid "    " and resid 20   and name HE% )
      2.000     0.500     0.500 peak    53 spectrum    5 weight  0.11000E+01 volume  0.14841E-01 ppm1      6.649 ppm2      6.873 CV     1
 ASSI {   54}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 20   and name HZ  ))
      3.600     1.600     1.600 peak    54 spectrum    5 weight  0.11000E+01 volume  0.13747E-02 ppm1      6.648 ppm2      7.051 CV     1
 ASSI {   55}
   (( segid "    " and resid 20   and name HZ  ))
   (  segid "    " and resid 20   and name HE% )
      2.100     0.500     0.500 peak    55 spectrum    5 weight  0.11000E+01 volume  0.10326E-01 ppm1      7.054 ppm2      6.874 CV     1
 ASSI {   59}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 17   and name HZ3 ))
      2.700     0.900     0.900 peak    59 spectrum    5 weight  0.11000E+01 volume  0.23159E-02 ppm1      6.650 ppm2      6.392 CV     1
 ASSI {   60}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 17   and name HZ3 ))
      2.800     1.000     1.000 peak    60 spectrum    5 weight  0.11000E+01 volume  0.19968E-02 ppm1      6.876 ppm2      6.392 CV     1
 ASSI {   62}
   (( segid "    " and resid 21   and name HZ  ))
   (( segid "    " and resid 17   and name HZ3 ))
      2.900     1.000     1.000 peak    62 spectrum    5 weight  0.11000E+01 volume  0.14307E-02 ppm1      7.556 ppm2      6.392 CV     1
 ASSI {   64}
   (  segid "    " and resid 20   and name HD% )
   (  segid "    " and resid 21   and name HD% )
      2.900     2.900     3.100 peak    64 spectrum    5 weight  0.11000E+01 volume  0.26430E-02 ppm1      6.649 ppm2      7.512 CV     1
 ASSI {   66}
   (( segid "    " and resid 24   and name HZ  ))
   (  segid "    " and resid 21   and name HD% )
      2.500     0.800     0.800 peak    66 spectrum    5 weight  0.11000E+01 volume  0.27612E-02 ppm1      7.163 ppm2      7.513 CV     1
 ASSI {   67}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 21   and name HD% )
      3.600     1.600     1.600 peak    67 spectrum    5 weight  0.11000E+01 volume  0.10969E-02 ppm1      6.877 ppm2      7.511 CV     1
 ASSI {   70}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 24   and name HD% )
      4.000     2.000     2.000 peak    70 spectrum    5 weight  0.11000E+01 volume  0.89107E-03 ppm1      7.516 ppm2      7.011 CV     1
 ASSI {   72}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 24   and name HE% )
      2.800     1.000     1.000 peak    72 spectrum    5 weight  0.11000E+01 volume  0.31722E-02 ppm1      7.516 ppm2      6.629 CV     1
 ASSI {   77}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak    77 spectrum    5 weight  0.11000E+01 volume  0.24111E-02 ppm1      7.127 ppm2      3.043 CV     1
 ASSI {   78}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HB1 ))
      3.000     1.100     1.100 peak    78 spectrum    5 weight  0.11000E+01 volume  0.16446E-02 ppm1      7.128 ppm2      3.194 CV     1
 ASSI {   79}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 20   and name HE% )
      2.800     2.800     3.200 peak    79 spectrum    5 weight  0.11000E+01 volume  0.17231E-02 ppm1      7.324 ppm2      6.873 CV     1
 ASSI {   80}
   (( segid "    " and resid 24   and name HZ  ))
   (  segid "    " and resid 20   and name HE% )
      2.900     1.000     1.000 peak    80 spectrum    5 weight  0.11000E+01 volume  0.13617E-02 ppm1      7.164 ppm2      6.874 CV     1
 ASSI {   83}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 24   and name HZ  ))
      3.400     1.400     1.400 peak    83 spectrum    5 weight  0.11000E+01 volume  0.18252E-02 ppm1      7.015 ppm2      7.159 CV     1
 ASSI {   84}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 21   and name HZ  ))
      3.500     1.500     1.500 peak    84 spectrum    5 weight  0.11000E+01 volume  0.68259E-03 ppm1      6.876 ppm2      7.550 CV     1
 ASSI {   88}
   (  segid "    " and resid 82   and name HE% )
   (( segid "    " and resid 50   and name HG12))
      3.800     3.800     2.200 peak    88 spectrum    5 weight  0.11000E+01 volume  0.29545E-02 ppm1      7.131 ppm2      0.007 CV     1
 ASSI {   90}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 50   and name HG12))
      3.100     3.100     2.900 peak    90 spectrum    5 weight  0.11000E+01 volume  0.26129E-02 ppm1      7.013 ppm2      0.024 CV     1
 ASSI {   91}
   (( segid "    " and resid 82   and name HZ  ))
   (  segid "    " and resid 54   and name HD2%)
      2.500     2.500     3.500 peak    91 spectrum    5 weight  0.11000E+01 volume  0.16789E-02 ppm1      7.321 ppm2      0.010 CV     1
 ASSI {   92}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
      3.000     1.100     1.100 peak    92 spectrum    5 weight  0.11000E+01 volume  0.17966E-02 ppm1      7.323 ppm2      0.226 CV     1
 ASSI {   93}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
      3.600     3.600     2.400 peak    93 spectrum    5 weight  0.11000E+01 volume  0.72712E-03 ppm1      7.129 ppm2      0.226 CV     1
 ASSI {   95}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 54   and name HB2 ))
      4.200     2.200     1.800 peak    95 spectrum    5 weight  0.11000E+01 volume  0.90867E-03 ppm1      7.323 ppm2     -0.096 CV     1
 ASSI {   97}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 50   and name HD1%)
      3.900     3.900     2.100 peak    97 spectrum    5 weight  0.11000E+01 volume  0.87209E-03 ppm1      7.131 ppm2      0.470 CV     1
 ASSI {  100}
   (  segid "    " and resid 82   and name HE% )
   (  segid "    " and resid 50   and name HG2%)
      3.600     3.600     2.400 peak   100 spectrum    5 weight  0.11000E+01 volume  0.41092E-02 ppm1      7.131 ppm2      0.670 CV     1
 ASSI {  102}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 54   and name HB1 ))
      2.800     1.000     1.000 peak   102 spectrum    5 weight  0.11000E+01 volume  0.12540E-02 ppm1      7.321 ppm2      0.697 CV     1
 ASSI {  104}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 43   and name HG11))
      3.800     3.800     2.200 peak   104 spectrum    5 weight  0.11000E+01 volume  0.10353E-02 ppm1      7.093 ppm2      1.609 CV     1
 ASSI {  108}
   (  segid "    " and resid 86   and name HD% )
   (  segid "    " and resid 82   and name HD% )
      2.800     2.800     3.200 peak   108 spectrum    5 weight  0.11000E+01 volume  0.76173E-03 ppm1      6.789 ppm2      7.083 CV     1
 ASSI {  111}
   (( segid "    " and resid 17   and name HZ3 ))
   (( segid "    " and resid 67   and name HB1 ))
      4.000     2.000     2.000 peak   111 spectrum    5 weight  0.11000E+01 volume  0.24593E-03 ppm1      6.395 ppm2      0.644 CV     1
 ASSI {  112}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 67   and name HB1 ))
      3.300     1.400     1.400 peak   112 spectrum    5 weight  0.11000E+01 volume  0.10321E-02 ppm1      6.650 ppm2      0.646 CV     1
 ASSI {  113}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 67   and name HB2 ))
      3.500     1.600     1.600 peak   113 spectrum    5 weight  0.11000E+01 volume  0.99542E-03 ppm1      6.649 ppm2      0.000 CV     1
 ASSI {  114}
   (  segid "    " and resid 20   and name HE% )
   (( segid "    " and resid 67   and name HB1 ))
      4.300     2.300     1.700 peak   114 spectrum    5 weight  0.11000E+01 volume  0.35742E-03 ppm1      6.876 ppm2      0.646 CV     1
 ASSI {  115}
   (( segid "    " and resid 17   and name HH2 ))
   (( segid "    " and resid 67   and name HB1 ))
      4.800     2.800     1.200 peak   115 spectrum    5 weight  0.11000E+01 volume  0.17664E-03 ppm1      6.916 ppm2      0.641 CV     1
 ASSI {  116}
   (( segid "    " and resid 17   and name HE3 ))
   (( segid "    " and resid 67   and name HB1 ))
      3.700     1.700     1.700 peak   116 spectrum    5 weight  0.11000E+01 volume  0.30960E-03 ppm1      7.346 ppm2      0.644 CV     1
 ASSI {  117}
   (( segid "    " and resid 21   and name HZ  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.600     2.600     1.400 peak   117 spectrum    5 weight  0.11000E+01 volume  0.68296E-03 ppm1      7.555 ppm2     -0.095 CV     1
 ASSI {  119}
   (( segid "    " and resid 21   and name HZ  ))
   (  segid "    " and resid 54   and name HD2%)
      3.300     1.300     1.300 peak   119 spectrum    5 weight  0.11000E+01 volume  0.63425E-03 ppm1      7.555 ppm2      0.006 CV     1
 ASSI {  120}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 54   and name HD2%)
      4.500     2.600     1.500 peak   120 spectrum    5 weight  0.11000E+01 volume  0.64309E-03 ppm1      7.516 ppm2      0.007 CV     1
 ASSI {  122}
   (( segid "    " and resid 21   and name HZ  ))
   (  segid "    " and resid 54   and name HD1%)
      3.700     1.700     1.700 peak   122 spectrum    5 weight  0.11000E+01 volume  0.49398E-03 ppm1      7.555 ppm2      0.225 CV     1
 ASSI {  123}
   (( segid "    " and resid 21   and name HZ  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.700     1.700     1.700 peak   123 spectrum    5 weight  0.11000E+01 volume  0.39716E-03 ppm1      7.556 ppm2      0.706 CV     1
 ASSI {  125}
   (  segid "    " and resid 86   and name HD% )
   (( segid "    " and resid 50   and name HG12))
      2.800     2.800     3.200 peak   125 spectrum    5 weight  0.11000E+01 volume  0.78564E-03 ppm1      6.788 ppm2      0.009 CV     1
 ASSI {  127}
   (  segid "    " and resid 24   and name HE% )
   (( segid "    " and resid 50   and name HG12))
      3.200     3.200     2.800 peak   127 spectrum    5 weight  0.11000E+01 volume  0.12936E-02 ppm1      6.631 ppm2      0.024 CV     1
 ASSI {  128}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 71   and name HD2%)
      5.100     3.200     0.900 peak   128 spectrum    5 weight  0.11000E+01 volume  0.24140E-03 ppm1      7.515 ppm2      0.421 CV     1
 ASSI {  129}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 50   and name HD1%)
      4.500     4.500     1.500 peak   129 spectrum    5 weight  0.11000E+01 volume  0.34261E-03 ppm1      7.323 ppm2      0.418 CV     1
 ASSI {  131}
   (( segid "    " and resid 20   and name HZ  ))
   (  segid "    " and resid 71   and name HD2%)
      2.700     2.700     3.300 peak   131 spectrum    5 weight  0.11000E+01 volume  0.39041E-02 ppm1      7.055 ppm2      0.419 CV     1
 ASSI {  132}
   (  segid "    " and resid 24   and name HD% )
   (  segid "    " and resid 50   and name HD1%)
      3.500     3.500     2.500 peak   132 spectrum    5 weight  0.11000E+01 volume  0.10671E-02 ppm1      7.013 ppm2      0.419 CV     1
 ASSI {  134}
   (  segid "    " and resid 24   and name HE% )
   (  segid "    " and resid 71   and name HD2%)
      3.000     1.100     1.100 peak   134 spectrum    5 weight  0.11000E+01 volume  0.20557E-02 ppm1      6.631 ppm2      0.419 CV     1
 ASSI {  137}
   (  segid "    " and resid 71   and name HD1%)
   (  segid "    " and resid 71   and name HD2%)
      2.300     0.700     0.700 peak   137 spectrum    5 weight  0.11000E+01 volume  0.98006E-02 ppm1      0.026 ppm2      0.419 CV     1
 ASSI {  138}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 71   and name HD2%)
      2.800     0.900     0.900 peak   138 spectrum    5 weight  0.11000E+01 volume  0.24319E-02 ppm1      0.797 ppm2      0.419 CV     1
 ASSI {  146}
   (  segid "    " and resid 20   and name HD% )
   (( segid "    " and resid 67   and name HG2 ))
      4.900     3.000     1.100 peak   146 spectrum    5 weight  0.11000E+01 volume  0.32355E-03 ppm1      6.651 ppm2      0.195 CV     1
 ASSI {  148}
   (( segid "    " and resid 24   and name HZ  ))
   (  segid "    " and resid 54   and name HD1%)
      4.900     3.000     1.100 peak   148 spectrum    5 weight  0.11000E+01 volume  0.30726E-03 ppm1      7.164 ppm2      0.225 CV     1
 ASSI {  149}
   (( segid "    " and resid 24   and name HZ  ))
   (( segid "    " and resid 50   and name HG12))
      4.400     4.400     1.600 peak   149 spectrum    5 weight  0.11000E+01 volume  0.34978E-03 ppm1      7.163 ppm2      0.024 CV     1
 ASSI {  156}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 43   and name HG11))
      3.200     3.200     2.800 peak   156 spectrum    5 weight  0.11000E+01 volume  0.36193E-02 ppm1      7.182 ppm2      1.606 CV     1
 ASSI {  157}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 43   and name HG12))
      3.500     1.500     1.500 peak   157 spectrum    5 weight  0.11000E+01 volume  0.13109E-02 ppm1      7.092 ppm2      1.200 CV     1
 ASSI {  159}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 43   and name HG12))
      3.400     1.500     1.500 peak   159 spectrum    5 weight  0.11000E+01 volume  0.10334E-02 ppm1      7.180 ppm2      1.199 CV     1
 ASSI {  160}
   (( segid "    " and resid 38   and name HZ  ))
   (  segid "    " and resid 43   and name HD1%)
      3.800     3.800     2.200 peak   160 spectrum    5 weight  0.11000E+01 volume  0.17608E-02 ppm1      7.095 ppm2      0.718 CV     1
 ASSI {  161}
   (  segid "    " and resid 38   and name HE% )
   (  segid "    " and resid 43   and name HD1%)
      4.200     4.200     1.800 peak   161 spectrum    5 weight  0.11000E+01 volume  0.13616E-02 ppm1      7.179 ppm2      0.718 CV     1
 ASSI {  162}
   (( segid "    " and resid 38   and name HZ  ))
   (  segid "    " and resid 38   and name HE% )
      2.200     0.600     0.600 peak   162 spectrum    5 weight  0.11000E+01 volume  0.69993E-02 ppm1      7.097 ppm2      7.173 CV     1
 ASSI {  163}
   (  segid "    " and resid 86   and name HD% )
   (  segid "    " and resid 90   and name HD1%)
      3.100     3.100     2.900 peak   163 spectrum    5 weight  0.11000E+01 volume  0.24106E-02 ppm1      6.787 ppm2      0.718 CV     1
 ASSI {  165}
   (  segid "    " and resid 86   and name HD% )
   (  segid "    " and resid 90   and name HG2%)
      4.200     4.200     1.800 peak   165 spectrum    5 weight  0.11000E+01 volume  0.11693E-02 ppm1      6.788 ppm2      0.795 CV     1
 ASSI {  166}
   (  segid "    " and resid 86   and name HE% )
   (  segid "    " and resid 90   and name HG2%)
      4.100     4.100     1.900 peak   166 spectrum    5 weight  0.11000E+01 volume  0.18996E-02 ppm1      6.741 ppm2      0.798 CV     1
 ASSI {  171}
   (  segid "    " and resid 86   and name HD% )
   (( segid "    " and resid 87   and name HG2 ))
      3.800     3.800     2.200 peak   171 spectrum    5 weight  0.11000E+01 volume  0.86638E-03 ppm1      6.788 ppm2      2.509 CV     1
 ASSI {  173}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 34   and name HG1 ))
      4.400     2.500     1.600 peak   173 spectrum    5 weight  0.11000E+01 volume  0.26154E-03 ppm1      7.178 ppm2      2.503 CV     1
 ASSI {  181}
   (( segid "    " and resid 38   and name HZ  ))
   (( segid "    " and resid 43   and name HA  ))
      3.600     1.600     1.600 peak   181 spectrum    5 weight  0.11000E+01 volume  0.89383E-03 ppm1      7.095 ppm2      3.697 CV     1
 ASSI {  184}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.800     0.900     0.900 peak   184 spectrum    5 weight  0.11000E+01 volume  0.16893E-02 ppm1      4.156 ppm2      3.079 CV     1
 ASSI {  185}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak   185 spectrum    5 weight  0.11000E+01 volume  0.23706E-02 ppm1      4.156 ppm2      2.953 CV     1
 ASSI {  188}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HE% )
      4.500     2.500     1.500 peak   188 spectrum    5 weight  0.11000E+01 volume  0.78597E-03 ppm1      4.156 ppm2      7.321 CV     1
 ASSI {  190}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 24   and name HD% )
      3.300     3.300     2.700 peak   190 spectrum    5 weight  0.11000E+01 volume  0.12674E-02 ppm1      4.155 ppm2      7.010 CV     1
 ASSI {  191}
   (( segid "    " and resid 24   and name HZ  ))
   (( segid "    " and resid 21   and name HA  ))
      3.500     1.500     1.500 peak   191 spectrum    5 weight  0.11000E+01 volume  0.90383E-03 ppm1      7.164 ppm2      4.153 CV     1
 ASSI {  193}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 28   and name HB1 ))
      3.400     1.400     1.400 peak   193 spectrum    5 weight  0.11000E+01 volume  0.24803E-02 ppm1      7.014 ppm2      2.057 CV     1
 ASSI {  194}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 28   and name HB2 ))
      3.300     3.300     2.700 peak   194 spectrum    5 weight  0.11000E+01 volume  0.90800E-03 ppm1      7.013 ppm2      1.384 CV     1
 ASSI {  195}
   (  segid "    " and resid 24   and name HE% )
   (( segid "    " and resid 76   and name HA  ))
      4.000     2.000     2.000 peak   195 spectrum    5 weight  0.11000E+01 volume  0.14942E-02 ppm1      6.631 ppm2      3.687 CV     1
 ASSI {  196}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      2.500     0.800     0.800 peak   196 spectrum    5 weight  0.11000E+01 volume  0.37549E-02 ppm1      4.307 ppm2      7.343 CV     1
 ASSI {  199}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak   199 spectrum    5 weight  0.11000E+01 volume  0.24481E-02 ppm1      4.306 ppm2      3.684 CV     1
 ASSI {  200}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak   200 spectrum    5 weight  0.11000E+01 volume  0.19643E-02 ppm1      4.306 ppm2      3.423 CV     1
 ASSI {  202}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak   202 spectrum    5 weight  0.11000E+01 volume  0.54922E-02 ppm1      4.307 ppm2      3.938 CV     1
 ASSI {  204}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.600     0.900     0.900 peak   204 spectrum    5 weight  0.11000E+01 volume  0.65917E-02 ppm1      4.306 ppm2      3.074 CV     1
 ASSI {  206}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.500     0.800     0.800 peak   206 spectrum    5 weight  0.11000E+01 volume  0.39101E-02 ppm1      4.305 ppm2      2.736 CV     1
 ASSI {  207}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.200     1.300     1.300 peak   207 spectrum    5 weight  0.11000E+01 volume  0.23280E-02 ppm1      4.307 ppm2      0.198 CV     1
 ASSI {  208}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak   208 spectrum    5 weight  0.11000E+01 volume  0.10056E-02 ppm1      4.305 ppm2     -0.002 CV     1
 ASSI {  210}
   (  segid "    " and resid 20   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
      5.200     3.400     0.800 peak   210 spectrum    5 weight  0.11000E+01 volume  0.16488E-03 ppm1      6.879 ppm2      0.228 CV     1
 ASSI {  211}
   (  segid "    " and resid 24   and name HE% )
   (  segid "    " and resid 54   and name HD1%)
      4.500     2.500     1.500 peak   211 spectrum    5 weight  0.11000E+01 volume  0.36707E-03 ppm1      6.631 ppm2      0.226 CV     1
 ASSI {  212}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      5.100     3.300     0.900 peak   212 spectrum    5 weight  0.11000E+01 volume  0.46299E-03 ppm1      4.260 ppm2      0.197 CV     1
 ASSI {  216}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      3.600     1.600     1.600 peak   216 spectrum    5 weight  0.11000E+01 volume  0.12441E-02 ppm1      3.722 ppm2      0.006 CV     1
 ASSI {  219}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak   219 spectrum    5 weight  0.11000E+01 volume  0.24852E-02 ppm1      2.799 ppm2     -0.001 CV     1
 ASSI {  220}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.700     0.900     0.900 peak   220 spectrum    5 weight  0.11000E+01 volume  0.17043E-02 ppm1      2.799 ppm2      0.645 CV     1
 ASSI {  221}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HD2 ))
      2.400     0.700     0.700 peak   221 spectrum    5 weight  0.11000E+01 volume  0.33632E-02 ppm1      2.799 ppm2      1.766 CV     1
 ASSI {  222}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HD1 ))
      2.600     0.900     0.900 peak   222 spectrum    5 weight  0.11000E+01 volume  0.36086E-02 ppm1      2.799 ppm2      3.129 CV     1
 ASSI {  223}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 17   and name HH2 ))
      3.000     1.100     1.100 peak   223 spectrum    5 weight  0.11000E+01 volume  0.19139E-02 ppm1      2.799 ppm2      6.914 CV     1
 ASSI {  226}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 17   and name HE3 ))
      4.400     2.400     1.600 peak   226 spectrum    5 weight  0.11000E+01 volume  0.36110E-03 ppm1      2.800 ppm2      7.343 CV     1
 ASSI {  227}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
      4.800     2.900     1.200 peak   227 spectrum    5 weight  0.11000E+01 volume  0.31625E-03 ppm1      2.805 ppm2      7.179 CV     1
 ASSI {  228}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      4.600     2.700     1.400 peak   228 spectrum    5 weight  0.11000E+01 volume  0.39079E-03 ppm1      2.799 ppm2      6.874 CV     1
 ASSI {  229}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 20   and name HD% )
      4.600     2.700     1.400 peak   229 spectrum    5 weight  0.11000E+01 volume  0.33653E-03 ppm1      2.801 ppm2      6.646 CV     1
 ASSI {  231}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.400     0.700     0.700 peak   231 spectrum    5 weight  0.11000E+01 volume  0.48250E-02 ppm1      2.801 ppm2      4.209 CV     1
 ASSI {  233}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.600     0.800     0.800 peak   233 spectrum    5 weight  0.11000E+01 volume  0.32889E-02 ppm1      4.460 ppm2      2.803 CV     1
 ASSI {  237}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 13   and name HD1%)
      4.300     4.300     1.700 peak   237 spectrum    5 weight  0.11000E+01 volume  0.59681E-03 ppm1      2.803 ppm2      0.972 CV     1
 ASSI {  238}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
      4.300     2.300     1.700 peak   238 spectrum    5 weight  0.11000E+01 volume  0.25765E-03 ppm1      2.541 ppm2      0.971 CV     1
 ASSI {  244}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   244 spectrum    5 weight  0.11000E+01 volume  0.13159E-02 ppm1      4.211 ppm2      2.533 CV     1
 ASSI {  249}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak   249 spectrum    5 weight  0.11000E+01 volume  0.47119E-02 ppm1      4.207 ppm2      1.771 CV     1
 OR {  249}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
 ASSI {  251}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.800     1.000     1.000 peak   251 spectrum    5 weight  0.11000E+01 volume  0.48212E-02 ppm1      4.213 ppm2      2.938 CV     1
 ASSI {  252}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 13   and name HD2%)
      3.500     1.500     1.500 peak   252 spectrum    5 weight  0.11000E+01 volume  0.16186E-02 ppm1      4.308 ppm2      0.901 CV     1
 ASSI {  253}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      3.300     3.300     2.700 peak   253 spectrum    5 weight  0.11000E+01 volume  0.26979E-02 ppm1      4.307 ppm2      0.973 CV     1
 ASSI {  255}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak   255 spectrum    5 weight  0.11000E+01 volume  0.58129E-02 ppm1      4.618 ppm2      0.973 CV     1
 ASSI {  256}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.300     0.700     0.700 peak   256 spectrum    5 weight  0.11000E+01 volume  0.90427E-02 ppm1      4.618 ppm2      3.818 CV     1
 ASSI {  257}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.400     0.700     0.700 peak   257 spectrum    5 weight  0.11000E+01 volume  0.71310E-02 ppm1      4.618 ppm2      3.919 CV     1
 ASSI {  258}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 13   and name HG  ))
      4.300     2.300     1.700 peak   258 spectrum    5 weight  0.11000E+01 volume  0.25296E-03 ppm1      4.618 ppm2      1.771 CV     1
 ASSI {  259}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak   259 spectrum    5 weight  0.11000E+01 volume  0.10242E-02 ppm1      4.620 ppm2      4.304 CV     1
 ASSI {  262}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak   262 spectrum    5 weight  0.11000E+01 volume  0.41492E-02 ppm1      4.275 ppm2      3.201 CV     1
 ASSI {  263}
   (  segid "    " and resid 24   and name HE% )
   (( segid "    " and resid 79   and name HB  ))
      2.800     1.000     1.000 peak   263 spectrum    5 weight  0.11000E+01 volume  0.22931E-02 ppm1      6.630 ppm2      2.377 CV     1
 ASSI {  269}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB  ))
      3.800     1.800     1.800 peak   269 spectrum    5 weight  0.11000E+01 volume  0.22294E-02 ppm1      3.689 ppm2      2.376 CV     1
 ASSI {  270}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.000     1.100     1.100 peak   270 spectrum    5 weight  0.11000E+01 volume  0.22913E-02 ppm1      3.690 ppm2      1.946 CV     1
 ASSI {  271}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 71   and name HD2%)
      2.500     0.800     0.800 peak   271 spectrum    5 weight  0.11000E+01 volume  0.30427E-02 ppm1      3.689 ppm2      0.419 CV     1
 ASSI {  272}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 71   and name HD1%)
      2.700     0.900     0.900 peak   272 spectrum    5 weight  0.11000E+01 volume  0.20932E-02 ppm1      3.689 ppm2      0.024 CV     1
 ASSI {  273}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 71   and name HD1%)
      4.500     4.500     1.500 peak   273 spectrum    5 weight  0.11000E+01 volume  0.57510E-03 ppm1      5.204 ppm2      0.024 CV     1
 ASSI {  274}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      3.300     1.400     1.400 peak   274 spectrum    5 weight  0.11000E+01 volume  0.79205E-03 ppm1      3.722 ppm2      0.226 CV     1
 ASSI {  276}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.800     1.000     1.000 peak   276 spectrum    5 weight  0.11000E+01 volume  0.16144E-02 ppm1      3.723 ppm2      3.324 CV     1
 ASSI {  277}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB  ))
      2.900     1.000     1.000 peak   277 spectrum    5 weight  0.11000E+01 volume  0.17978E-02 ppm1      3.723 ppm2      2.379 CV     1
 ASSI {  280}
   (  segid "    " and resid 24   and name HD% )
   (( segid "    " and resid 76   and name HA  ))
      4.700     2.800     1.300 peak   280 spectrum    5 weight  0.11000E+01 volume  0.45527E-03 ppm1      7.013 ppm2      3.687 CV     1
 ASSI {  282}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.100     0.500     0.500 peak   282 spectrum    5 weight  0.11000E+01 volume  0.43162E-02 ppm1      3.687 ppm2      3.422 CV     1
 ASSI {  285}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      3.900     1.900     1.900 peak   285 spectrum    5 weight  0.11000E+01 volume  0.99304E-03 ppm1      4.307 ppm2      7.178 CV     1
 ASSI {  287}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HZ3 ))
      4.400     2.400     1.600 peak   287 spectrum    5 weight  0.11000E+01 volume  0.49991E-03 ppm1      4.305 ppm2      6.394 CV     1
 ASSI {  291}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.500     0.800     0.800 peak   291 spectrum    5 weight  0.11000E+01 volume  0.74241E-02 ppm1      4.297 ppm2      2.065 CV     1
 ASSI {  292}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      2.300     0.700     0.700 peak   292 spectrum    5 weight  0.11000E+01 volume  0.58375E-02 ppm1      4.296 ppm2      2.125 CV     1
 ASSI {  293}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.500     0.800     0.800 peak   293 spectrum    5 weight  0.11000E+01 volume  0.39869E-02 ppm1      4.297 ppm2      2.926 CV     1
 ASSI {  294}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      4.200     2.200     1.800 peak   294 spectrum    5 weight  0.11000E+01 volume  0.52967E-03 ppm1      4.306 ppm2      0.694 CV     1
 ASSI {  297}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 66   and name HB% )
      4.500     2.600     1.500 peak   297 spectrum    5 weight  0.11000E+01 volume  0.91240E-03 ppm1      4.305 ppm2      1.195 CV     1
 ASSI {  299}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      4.400     4.400     1.600 peak   299 spectrum    5 weight  0.11000E+01 volume  0.59311E-03 ppm1      4.307 ppm2      0.819 CV     1
 ASSI {  300}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.700     0.900     0.900 peak   300 spectrum    5 weight  0.11000E+01 volume  0.47261E-02 ppm1      4.284 ppm2      2.453 CV     1
 ASSI {  303}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.100     1.200     1.200 peak   303 spectrum    5 weight  0.11000E+01 volume  0.30317E-02 ppm1      4.301 ppm2      3.170 CV     1
 ASSI {  307}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      3.900     3.900     2.100 peak   307 spectrum    5 weight  0.11000E+01 volume  0.10151E-02 ppm1      4.343 ppm2      0.911 CV     1
 ASSI {  308}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak   308 spectrum    5 weight  0.11000E+01 volume  0.91423E-02 ppm1      4.240 ppm2      3.923 CV     1
 ASSI {  310}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      3.800     1.800     1.800 peak   310 spectrum    5 weight  0.11000E+01 volume  0.56678E-03 ppm1      4.241 ppm2      5.202 CV     1
 ASSI {  312}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.300     0.600     0.600 peak   312 spectrum    5 weight  0.11000E+01 volume  0.66226E-02 ppm1      4.305 ppm2      1.751 CV     1
 ASSI {  317}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HB2 ))
      3.900     1.900     1.900 peak   317 spectrum    5 weight  0.11000E+01 volume  0.12778E-02 ppm1      3.144 ppm2      2.050 CV     1
 ASSI {  318}
   (( segid "    " and resid 68   and name HD1 ))
   (  segid "    " and resid 54   and name HD2%)
      3.800     3.800     2.200 peak   318 spectrum    5 weight  0.11000E+01 volume  0.12753E-02 ppm1      3.142 ppm2      0.023 CV     1
 ASSI {  320}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 67   and name HB2 ))
      3.600     1.600     1.600 peak   320 spectrum    5 weight  0.11000E+01 volume  0.79283E-03 ppm1      1.769 ppm2      0.000 CV     1
 ASSI {  322}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.400     0.700     0.700 peak   322 spectrum    5 weight  0.11000E+01 volume  0.57141E-02 ppm1      5.205 ppm2      3.097 CV     1
 ASSI {  323}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.400     0.700     0.700 peak   323 spectrum    5 weight  0.11000E+01 volume  0.72037E-02 ppm1      5.204 ppm2      2.913 CV     1
 ASSI {  325}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.700     2.700     1.300 peak   325 spectrum    5 weight  0.11000E+01 volume  0.21375E-03 ppm1      5.204 ppm2      3.921 CV     1
 ASSI {  326}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.600     4.600     1.400 peak   326 spectrum    5 weight  0.11000E+01 volume  0.21252E-03 ppm1      5.205 ppm2      3.970 CV     1
 ASSI {  328}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.700     1.700     1.700 peak   328 spectrum    5 weight  0.11000E+01 volume  0.39791E-03 ppm1      5.204 ppm2      3.347 CV     1
 ASSI {  329}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
      5.200     5.200     0.800 peak   329 spectrum    5 weight  0.11000E+01 volume  0.20419E-03 ppm1      5.204 ppm2      0.691 CV     1
 ASSI {  332}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 25   and name HG1%)
      5.500     5.500     0.500 peak   332 spectrum    5 weight  0.11000E+01 volume  0.14713E-03 ppm1      5.206 ppm2      0.781 CV     1
 ASSI {  333}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 71   and name HD2%)
      6.000     6.000     0.000 peak   333 spectrum    5 weight  0.11000E+01 volume  0.10334E-03 ppm1      5.204 ppm2      0.419 CV     1
 ASSI {  337}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   337 spectrum    5 weight  0.11000E+01 volume  0.23144E-02 ppm1      1.878 ppm2      3.560 CV     1
 ASSI {  345}
   (( segid "    " and resid 55   and name HB  ))
   (  segid "    " and resid 55   and name HG2%)
      2.300     0.600     0.600 peak   345 spectrum    5 weight  0.11000E+01 volume  0.62858E-02 ppm1      3.602 ppm2      1.381 CV     1
 ASSI {  346}
   (( segid "    " and resid 25   and name HB  ))
   (( segid "    " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak   346 spectrum    5 weight  0.11000E+01 volume  0.25447E-02 ppm1      1.875 ppm2      3.588 CV     1
 ASSI {  347}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.400     1.500     1.500 peak   347 spectrum    5 weight  0.11000E+01 volume  0.22922E-02 ppm1      2.261 ppm2      3.347 CV     1
 ASSI {  349}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HD1 ))
      3.200     1.300     1.300 peak   349 spectrum    5 weight  0.11000E+01 volume  0.17310E-02 ppm1      1.749 ppm2      3.576 CV     1
 ASSI {  353}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.900     1.000     1.000 peak   353 spectrum    5 weight  0.11000E+01 volume  0.18802E-02 ppm1      4.932 ppm2      3.069 CV     1
 ASSI {  359}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   359 spectrum    5 weight  0.11000E+01 volume  0.62340E-02 ppm1      3.800 ppm2      4.929 CV     1
 ASSI {  360}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG1 ))
      2.800     0.900     0.900 peak   360 spectrum    5 weight  0.11000E+01 volume  0.63384E-02 ppm1      3.804 ppm2      2.068 CV     1
 ASSI {  361}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.200     0.600     0.600 peak   361 spectrum    5 weight  0.11000E+01 volume  0.50924E-02 ppm1      3.806 ppm2      1.995 CV     1
 ASSI {  363}
   (( segid "    " and resid 33   and name HD1 ))
   (( segid "    " and resid 33   and name HG1 ))
      1.900     0.500     0.500 peak   363 spectrum    5 weight  0.11000E+01 volume  0.13460E-01 ppm1      4.028 ppm2      2.081 CV     1
 ASSI {  364}
   (( segid "    " and resid 33   and name HD1 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.600     0.800     0.800 peak   364 spectrum    5 weight  0.11000E+01 volume  0.62705E-02 ppm1      4.028 ppm2      2.010 CV     1
 ASSI {  365}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      5.500     3.800     0.500 peak   365 spectrum    5 weight  0.11000E+01 volume  0.36369E-03 ppm1      4.933 ppm2      2.007 CV     1
 ASSI {  374}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HD2 ))
      4.300     2.300     1.700 peak   374 spectrum    5 weight  0.11000E+01 volume  0.79488E-03 ppm1      2.413 ppm2      3.796 CV     1
 ASSI {  379}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      5.300     3.600     0.700 peak   379 spectrum    5 weight  0.11000E+01 volume  0.34039E-03 ppm1      4.798 ppm2      2.044 CV     1
 ASSI {  382}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.200     0.600     0.600 peak   382 spectrum    5 weight  0.11000E+01 volume  0.89834E-02 ppm1      4.785 ppm2      2.447 CV     1
 OR {  382}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  383}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 71   and name HD1%)
      5.400     5.400     0.600 peak   383 spectrum    5 weight  0.11000E+01 volume  0.17693E-03 ppm1      4.786 ppm2      0.027 CV     1
 ASSI {  384}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 71   and name HD2%)
      5.300     5.300     0.700 peak   384 spectrum    5 weight  0.11000E+01 volume  0.17827E-03 ppm1      4.784 ppm2      0.420 CV     1
 ASSI {  385}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.800     2.800     1.200 peak   385 spectrum    5 weight  0.11000E+01 volume  0.34165E-03 ppm1      4.786 ppm2      0.796 CV     1
 ASSI {  386}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
      5.300     5.300     0.700 peak   386 spectrum    5 weight  0.11000E+01 volume  0.53258E-03 ppm1      4.797 ppm2      0.753 CV     1
 ASSI {  387}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 43   and name HG12))
      6.000     4.900     0.000 peak   387 spectrum    5 weight  0.11000E+01 volume  0.26838E-03 ppm1      4.797 ppm2      1.205 CV     1
 ASSI {  388}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      5.600     3.900     0.400 peak   388 spectrum    5 weight  0.11000E+01 volume  0.24940E-03 ppm1      4.784 ppm2      1.490 CV     1
 ASSI {  389}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.200     2.200     1.800 peak   389 spectrum    5 weight  0.11000E+01 volume  0.24137E-03 ppm1      4.800 ppm2      1.846 CV     1
 OR {  389}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  395}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak   395 spectrum    5 weight  0.11000E+01 volume  0.32855E-02 ppm1      4.579 ppm2      0.796 CV     1
 ASSI {  396}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG  ))
      3.400     1.400     1.400 peak   396 spectrum    5 weight  0.11000E+01 volume  0.14341E-02 ppm1      4.579 ppm2      1.158 CV     1
 ASSI {  397}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.000     1.100     1.100 peak   397 spectrum    5 weight  0.11000E+01 volume  0.19866E-02 ppm1      4.579 ppm2      1.489 CV     1
 ASSI {  400}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
      3.800     1.800     1.800 peak   400 spectrum    5 weight  0.11000E+01 volume  0.93631E-03 ppm1      4.565 ppm2      2.459 CV     1
 OR {  400}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  402}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.900     2.900     3.100 peak   402 spectrum    5 weight  0.11000E+01 volume  0.24745E-02 ppm1      4.564 ppm2      2.222 CV     1
 ASSI {  411}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 24   and name HZ  ))
      5.300     3.600     0.700 peak   411 spectrum    5 weight  0.11000E+01 volume  0.71425E-03 ppm1      4.784 ppm2      7.163 CV     1
 ASSI {  412}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 20   and name HZ  ))
      5.100     3.200     0.900 peak   412 spectrum    5 weight  0.11000E+01 volume  0.35019E-03 ppm1      4.786 ppm2      7.052 CV     1
 ASSI {  413}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      3.000     1.100     1.100 peak   413 spectrum    5 weight  0.11000E+01 volume  0.10046E-02 ppm1      4.785 ppm2      6.874 CV     1
 ASSI {  415}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 20   and name HZ  ))
      2.700     0.900     0.900 peak   415 spectrum    5 weight  0.11000E+01 volume  0.24730E-02 ppm1      4.579 ppm2      7.052 CV     1
 ASSI {  416}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      3.300     1.300     1.300 peak   416 spectrum    5 weight  0.11000E+01 volume  0.12740E-02 ppm1      4.579 ppm2      6.874 CV     1
 ASSI {  417}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 24   and name HE% )
      4.300     2.300     1.700 peak   417 spectrum    5 weight  0.11000E+01 volume  0.23767E-03 ppm1      4.578 ppm2      6.636 CV     1
 ASSI {  418}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      5.300     3.500     0.700 peak   418 spectrum    5 weight  0.11000E+01 volume  0.24889E-03 ppm1      4.800 ppm2      7.177 CV     1
 ASSI {  419}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HE% )
      5.000     5.000     1.000 peak   419 spectrum    5 weight  0.11000E+01 volume  0.34341E-03 ppm1      5.205 ppm2      6.626 CV     1
 ASSI {  421}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 38   and name HD% )
      4.800     2.900     1.200 peak   421 spectrum    5 weight  0.11000E+01 volume  0.31248E-03 ppm1      4.566 ppm2      7.125 CV     1
 ASSI {  424}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HD% )
      3.000     1.200     1.200 peak   424 spectrum    5 weight  0.11000E+01 volume  0.14927E-02 ppm1      4.403 ppm2      7.513 CV     1
 ASSI {  425}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak   425 spectrum    5 weight  0.11000E+01 volume  0.33682E-02 ppm1      2.461 ppm2      2.220 CV     1
 OR {  425}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  426}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.900     0.900 peak   426 spectrum    5 weight  0.11000E+01 volume  0.40962E-02 ppm1      2.461 ppm2      2.186 CV     1
 OR {  426}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  429}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.300     1.700 peak   429 spectrum    5 weight  0.11000E+01 volume  0.63388E-03 ppm1      3.930 ppm2      4.563 CV     1
 ASSI {  431}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.600     2.600     3.400 peak   431 spectrum    5 weight  0.11000E+01 volume  0.50879E-02 ppm1      3.933 ppm2      2.223 CV     1
 ASSI {  433}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.500     1.500 peak   433 spectrum    5 weight  0.11000E+01 volume  0.96331E-03 ppm1      4.536 ppm2      4.037 CV     1
 ASSI {  435}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak   435 spectrum    5 weight  0.11000E+01 volume  0.40757E-02 ppm1      4.535 ppm2      2.638 CV     1
 ASSI {  437}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.600     0.800     0.800 peak   437 spectrum    5 weight  0.11000E+01 volume  0.50118E-02 ppm1      4.727 ppm2      2.763 CV     1
 ASSI {  443}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.200     0.600     0.600 peak   443 spectrum    5 weight  0.11000E+01 volume  0.85851E-02 ppm1      4.486 ppm2      4.081 CV     1
 ASSI {  444}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   444 spectrum    5 weight  0.11000E+01 volume  0.59196E-02 ppm1      4.486 ppm2      4.050 CV     1
 ASSI {  445}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.300     0.700     0.700 peak   445 spectrum    5 weight  0.11000E+01 volume  0.77818E-02 ppm1      4.485 ppm2      3.989 CV     1
 ASSI {  451}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
      1.800     0.400     0.400 peak   451 spectrum    5 weight  0.11000E+01 volume  0.16268E-01 ppm1      3.992 ppm2      4.081 CV     1
 ASSI {  452}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      4.000     2.000     2.000 peak   452 spectrum    5 weight  0.11000E+01 volume  0.44762E-03 ppm1      4.565 ppm2      3.664 CV     1
 ASSI {  453}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.500     0.800     0.800 peak   453 spectrum    5 weight  0.11000E+01 volume  0.33613E-02 ppm1      3.668 ppm2      3.074 CV     1
 ASSI {  455}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB  ))
      2.700     0.900     0.900 peak   455 spectrum    5 weight  0.11000E+01 volume  0.31529E-02 ppm1      3.668 ppm2      2.043 CV     1
 ASSI {  456}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 43   and name HB  ))
      4.700     2.800     1.300 peak   456 spectrum    5 weight  0.11000E+01 volume  0.43826E-03 ppm1      7.127 ppm2      2.048 CV     1
 ASSI {  459}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD1%)
      3.300     1.300     1.300 peak   459 spectrum    5 weight  0.11000E+01 volume  0.47187E-02 ppm1      3.668 ppm2      0.753 CV     1
 ASSI {  460}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG12))
      2.400     0.700     0.700 peak   460 spectrum    5 weight  0.11000E+01 volume  0.24974E-02 ppm1      3.667 ppm2      1.207 CV     1
 ASSI {  462}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      2.500     0.800     0.800 peak   462 spectrum    5 weight  0.11000E+01 volume  0.46683E-02 ppm1      4.485 ppm2      0.893 CV     1
 ASSI {  463}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      4.100     2.100     1.900 peak   463 spectrum    5 weight  0.11000E+01 volume  0.85646E-03 ppm1      4.485 ppm2      0.822 CV     1
 ASSI {  464}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.900     1.900     1.900 peak   464 spectrum    5 weight  0.11000E+01 volume  0.12692E-02 ppm1      4.485 ppm2      1.386 CV     1
 ASSI {  465}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.900     1.900     1.900 peak   465 spectrum    5 weight  0.11000E+01 volume  0.81816E-03 ppm1      4.486 ppm2      1.651 CV     1
 ASSI {  466}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   466 spectrum    5 weight  0.11000E+01 volume  0.42939E-03 ppm1      4.486 ppm2      1.555 CV     1
 ASSI {  468}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak   468 spectrum    5 weight  0.11000E+01 volume  0.38735E-02 ppm1      4.044 ppm2      1.372 CV     1
 ASSI {  474}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HB2 ))
      1.600     0.300     0.600 peak   474 spectrum    5 weight  0.11000E+01 volume  0.27816E-01 ppm1      4.067 ppm2      3.894 CV     1
 ASSI {  479}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.700     2.700     3.300 peak   479 spectrum    5 weight  0.11000E+01 volume  0.10617E-02 ppm1      4.455 ppm2      0.914 CV     1
 ASSI {  486}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak   486 spectrum    5 weight  0.11000E+01 volume  0.68173E-02 ppm1      4.411 ppm2      3.321 CV     1
 ASSI {  487}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB  ))
      2.700     0.900     0.900 peak   487 spectrum    5 weight  0.11000E+01 volume  0.23994E-02 ppm1      4.389 ppm2      3.601 CV     1
 ASSI {  495}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     0.900     0.900 peak   495 spectrum    5 weight  0.11000E+01 volume  0.50353E-02 ppm1      4.406 ppm2      2.896 CV     1
 ASSI {  496}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.300     0.600     0.600 peak   496 spectrum    5 weight  0.11000E+01 volume  0.53848E-02 ppm1      4.408 ppm2      3.128 CV     1
 ASSI {  504}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HD2 ))
      3.700     1.700     1.700 peak   504 spectrum    5 weight  0.11000E+01 volume  0.98405E-03 ppm1      4.412 ppm2      3.798 CV     1
 ASSI {  505}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HD1 ))
      3.300     1.400     1.400 peak   505 spectrum    5 weight  0.11000E+01 volume  0.12079E-02 ppm1      4.413 ppm2      4.033 CV     1
 ASSI {  506}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      3.600     1.600     1.600 peak   506 spectrum    5 weight  0.11000E+01 volume  0.26140E-02 ppm1      4.415 ppm2      2.004 CV     1
 ASSI {  512}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.600     0.800     0.800 peak   512 spectrum    5 weight  0.11000E+01 volume  0.49145E-02 ppm1      4.393 ppm2      2.668 CV     1
 ASSI {  513}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB1 ))
      2.100     0.500     0.500 peak   513 spectrum    5 weight  0.11000E+01 volume  0.68781E-02 ppm1      2.681 ppm2      2.841 CV     1
 ASSI {  518}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak   518 spectrum    5 weight  0.11000E+01 volume  0.47791E-02 ppm1      4.353 ppm2      2.157 CV     1
 ASSI {  527}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.900     0.500     0.500 peak   527 spectrum    5 weight  0.11000E+01 volume  0.81514E-02 ppm1      1.945 ppm2      2.156 CV     1
 ASSI {  529}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HG2 ))
      1.700     0.300     0.500 peak   529 spectrum    5 weight  0.11000E+01 volume  0.10210E-01 ppm1      2.501 ppm2      2.269 CV     1
 ASSI {  536}
   (( segid "    " and resid 34   and name HG2 ))
   (  segid "    " and resid 38   and name HD% )
      3.800     3.800     2.200 peak   536 spectrum    5 weight  0.11000E+01 volume  0.77419E-03 ppm1      2.271 ppm2      7.127 CV     1
 ASSI {  537}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      5.100     5.100     0.900 peak   537 spectrum    5 weight  0.11000E+01 volume  0.23521E-03 ppm1      4.353 ppm2      7.176 CV     1
 ASSI {  540}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 34   and name HB1 ))
      4.600     2.600     1.400 peak   540 spectrum    5 weight  0.11000E+01 volume  0.58513E-03 ppm1      7.132 ppm2      2.158 CV     1
 ASSI {  545}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 86   and name HD% )
      4.700     2.800     1.300 peak   545 spectrum    5 weight  0.11000E+01 volume  0.32624E-03 ppm1      4.304 ppm2      6.783 CV     1
 ASSI {  547}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 86   and name HD% )
      5.300     5.300     0.700 peak   547 spectrum    5 weight  0.11000E+01 volume  0.18057E-03 ppm1      3.080 ppm2      6.784 CV     1
 ASSI {  552}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 38   and name HE% )
      3.500     1.600     1.600 peak   552 spectrum    5 weight  0.11000E+01 volume  0.80909E-03 ppm1      3.082 ppm2      7.176 CV     1
 ASSI {  556}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak   556 spectrum    5 weight  0.11000E+01 volume  0.83606E-03 ppm1      1.119 ppm2      2.799 CV     1
 ASSI {  560}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.100     2.100     1.900 peak   560 spectrum    5 weight  0.11000E+01 volume  0.80052E-03 ppm1      0.201 ppm2      2.799 CV     1
 ASSI {  562}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.100     0.500     0.500 peak   562 spectrum    5 weight  0.11000E+01 volume  0.87503E-02 ppm1      0.003 ppm2      0.195 CV     1
 ASSI {  566}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.900     1.900     1.900 peak   566 spectrum    5 weight  0.11000E+01 volume  0.54877E-03 ppm1      0.003 ppm2      2.099 CV     1
 ASSI {  568}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.400     1.400 peak   568 spectrum    5 weight  0.11000E+01 volume  0.61717E-03 ppm1      0.648 ppm2      4.300 CV     1
 ASSI {  571}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 17   and name HZ3 ))
      4.600     2.600     1.400 peak   571 spectrum    5 weight  0.11000E+01 volume  0.41533E-03 ppm1      0.004 ppm2      6.391 CV     1
 ASSI {  573}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 17   and name HD1 ))
      4.900     3.000     1.100 peak   573 spectrum    5 weight  0.11000E+01 volume  0.27149E-03 ppm1      0.202 ppm2      7.178 CV     1
 ASSI {  574}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 17   and name HE3 ))
      3.500     1.600     1.600 peak   574 spectrum    5 weight  0.11000E+01 volume  0.18876E-03 ppm1      0.201 ppm2      7.343 CV     1
 ASSI {  576}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.400     2.400     1.600 peak   576 spectrum    5 weight  0.11000E+01 volume  0.69732E-03 ppm1      0.001 ppm2      7.341 CV     1
 ASSI {  581}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 20   and name HE% )
      4.400     2.400     1.600 peak   581 spectrum    5 weight  0.11000E+01 volume  0.30836E-03 ppm1     -0.001 ppm2      6.876 CV     1
 ASSI {  582}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 17   and name HH2 ))
      5.100     3.300     0.900 peak   582 spectrum    5 weight  0.11000E+01 volume  0.30783E-03 ppm1      0.004 ppm2      6.914 CV     1
 ASSI {  583}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 17   and name HZ2 ))
      5.400     3.600     0.600 peak   583 spectrum    5 weight  0.11000E+01 volume  0.23459E-03 ppm1      0.004 ppm2      6.973 CV     1
 ASSI {  584}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 17   and name HZ2 ))
      4.900     3.000     1.100 peak   584 spectrum    5 weight  0.11000E+01 volume  0.15688E-03 ppm1      0.650 ppm2      6.972 CV     1
 ASSI {  586}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak   586 spectrum    5 weight  0.11000E+01 volume  0.11586E-02 ppm1      1.119 ppm2      4.304 CV     1
 ASSI {  587}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 17   and name HZ3 ))
      3.500     1.500     1.500 peak   587 spectrum    5 weight  0.11000E+01 volume  0.49395E-03 ppm1      1.769 ppm2      6.392 CV     1
 ASSI {  588}
   (( segid "    " and resid 68   and name HD2 ))
   (  segid "    " and resid 20   and name HD% )
      3.900     3.900     2.100 peak   588 spectrum    5 weight  0.11000E+01 volume  0.36281E-03 ppm1      1.770 ppm2      6.647 CV     1
 ASSI {  589}
   (( segid "    " and resid 68   and name HD2 ))
   (  segid "    " and resid 20   and name HE% )
      3.500     3.500     2.500 peak   589 spectrum    5 weight  0.11000E+01 volume  0.64235E-03 ppm1      1.768 ppm2      6.874 CV     1
 ASSI {  591}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 17   and name HD1 ))
      3.100     1.200     1.200 peak   591 spectrum    5 weight  0.11000E+01 volume  0.32067E-02 ppm1      1.772 ppm2      7.179 CV     1
 OR {  591}
   (( segid "    " and resid 13   and name HG  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  592}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 17   and name HZ2 ))
      4.300     2.300     1.700 peak   592 spectrum    5 weight  0.11000E+01 volume  0.56231E-03 ppm1      1.762 ppm2      6.974 CV     1
 ASSI {  595}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      4.200     2.200     1.800 peak   595 spectrum    5 weight  0.11000E+01 volume  0.45217E-03 ppm1      3.582 ppm2      5.202 CV     1
 ASSI {  596}
   (( segid "    " and resid 55   and name HB  ))
   (( segid "    " and resid 21   and name HZ  ))
      4.200     2.200     1.800 peak   596 spectrum    5 weight  0.11000E+01 volume  0.67073E-03 ppm1      3.603 ppm2      7.551 CV     1
 ASSI {  597}
   (( segid "    " and resid 55   and name HB  ))
   (  segid "    " and resid 21   and name HD% )
      2.700     0.900     0.900 peak   597 spectrum    5 weight  0.11000E+01 volume  0.18623E-02 ppm1      3.602 ppm2      7.513 CV     1
 ASSI {  598}
   (( segid "    " and resid 55   and name HB  ))
   (  segid "    " and resid 21   and name HE% )
      2.300     0.600     0.600 peak   598 spectrum    5 weight  0.11000E+01 volume  0.61553E-02 ppm1      3.603 ppm2      7.320 CV     1
 ASSI {  599}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 21   and name HE% )
      3.800     1.800     1.800 peak   599 spectrum    5 weight  0.11000E+01 volume  0.30143E-03 ppm1      4.391 ppm2      7.324 CV     1
 ASSI {  603}
   (  segid "    " and resid 55   and name HG2%)
   (  segid "    " and resid 21   and name HD% )
      2.400     2.400     3.600 peak   603 spectrum    5 weight  0.11000E+01 volume  0.19666E-02 ppm1      1.381 ppm2      7.512 CV     1
 ASSI {  604}
   (  segid "    " and resid 55   and name HG2%)
   (( segid "    " and resid 21   and name HZ  ))
      4.400     4.400     1.600 peak   604 spectrum    5 weight  0.11000E+01 volume  0.84121E-03 ppm1      1.382 ppm2      7.553 CV     1
 ASSI {  605}
   (  segid "    " and resid 79   and name HG1%)
   (  segid "    " and resid 24   and name HE% )
      2.800     1.000     1.000 peak   605 spectrum    5 weight  0.11000E+01 volume  0.24897E-02 ppm1      1.382 ppm2      6.626 CV     1
 ASSI {  607}
   (  segid "    " and resid 79   and name HG1%)
   (  segid "    " and resid 54   and name HD1%)
      2.600     0.900     0.900 peak   607 spectrum    5 weight  0.11000E+01 volume  0.29475E-02 ppm1      1.381 ppm2      0.226 CV     1
 ASSI {  619}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak   619 spectrum    5 weight  0.11000E+01 volume  0.56622E-02 ppm1      1.033 ppm2      3.720 CV     1
 ASSI {  622}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 24   and name HZ  ))
      3.500     1.600     1.600 peak   622 spectrum    5 weight  0.11000E+01 volume  0.12920E-02 ppm1      1.034 ppm2      7.161 CV     1
 ASSI {  628}
   (( segid "    " and resid 79   and name HB  ))
   (( segid "    " and resid 24   and name HZ  ))
      4.300     2.300     1.700 peak   628 spectrum    5 weight  0.11000E+01 volume  0.50648E-03 ppm1      2.378 ppm2      7.162 CV     1
 ASSI {  631}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      3.400     1.500     1.500 peak   631 spectrum    5 weight  0.11000E+01 volume  0.27975E-02 ppm1     -0.092 ppm2      0.006 CV     1
 ASSI {  635}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      2.000     0.500     0.500 peak   635 spectrum    5 weight  0.11000E+01 volume  0.42674E-02 ppm1     -0.092 ppm2      0.709 CV     1
 ASSI {  639}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.900     1.000     1.000 peak   639 spectrum    5 weight  0.11000E+01 volume  0.19555E-02 ppm1     -0.092 ppm2      3.337 CV     1
 ASSI {  640}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HB  ))
      5.500     3.800     0.500 peak   640 spectrum    5 weight  0.11000E+01 volume  0.16139E-03 ppm1     -0.090 ppm2      3.601 CV     1
 ASSI {  642}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
      4.300     2.300     1.700 peak   642 spectrum    5 weight  0.11000E+01 volume  0.47683E-03 ppm1     -0.091 ppm2      7.512 CV     1
 ASSI {  656}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 76   and name HB1 ))
      4.000     2.000     2.000 peak   656 spectrum    5 weight  0.11000E+01 volume  0.16703E-02 ppm1      0.422 ppm2      1.933 CV     1
 ASSI {  661}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak   661 spectrum    5 weight  0.11000E+01 volume  0.17503E-02 ppm1      0.027 ppm2      4.576 CV     1
 ASSI {  667}
   (  segid "    " and resid 71   and name HD2%)
   (  segid "    " and resid 24   and name HD% )
      3.400     1.500     1.500 peak   667 spectrum    5 weight  0.11000E+01 volume  0.10347E-02 ppm1      0.421 ppm2      7.011 CV     1
 ASSI {  669}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 24   and name HZ  ))
      3.400     1.400     1.400 peak   669 spectrum    5 weight  0.11000E+01 volume  0.64566E-03 ppm1      0.422 ppm2      7.161 CV     1
 ASSI {  673}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 20   and name HZ  ))
      4.300     4.300     1.700 peak   673 spectrum    5 weight  0.11000E+01 volume  0.39500E-03 ppm1      0.025 ppm2      7.051 CV     1
 ASSI {  683}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG  ))
      2.400     0.700     0.700 peak   683 spectrum    5 weight  0.11000E+01 volume  0.52994E-02 ppm1      1.496 ppm2      1.156 CV     1
 ASSI {  686}
   (( segid "    " and resid 71   and name HG  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   686 spectrum    5 weight  0.11000E+01 volume  0.21441E-02 ppm1      1.160 ppm2      0.795 CV     1
 ASSI {  689}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 24   and name HD% )
      5.300     3.500     0.700 peak   689 spectrum    5 weight  0.11000E+01 volume  0.24927E-03 ppm1      1.494 ppm2      7.011 CV     1
 ASSI {  690}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 20   and name HE% )
      5.500     3.800     0.500 peak   690 spectrum    5 weight  0.11000E+01 volume  0.22797E-03 ppm1      1.493 ppm2      6.875 CV     1
 ASSI {  691}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 20   and name HE% )
      4.300     4.300     1.700 peak   691 spectrum    5 weight  0.11000E+01 volume  0.42081E-03 ppm1      0.799 ppm2      6.875 CV     1
 ASSI {  692}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 24   and name HD% )
      3.400     1.500     1.500 peak   692 spectrum    5 weight  0.11000E+01 volume  0.45661E-03 ppm1      0.791 ppm2      7.011 CV     1
 ASSI {  693}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 20   and name HZ  ))
      5.100     3.200     0.900 peak   693 spectrum    5 weight  0.11000E+01 volume  0.24901E-03 ppm1      1.492 ppm2      7.050 CV     1
 ASSI {  694}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 20   and name HD% )
      3.800     3.800     2.200 peak   694 spectrum    5 weight  0.11000E+01 volume  0.12955E-03 ppm1      1.496 ppm2      6.641 CV     1
 ASSI {  695}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 24   and name HE% )
      5.800     4.200     0.200 peak   695 spectrum    5 weight  0.11000E+01 volume  0.16143E-03 ppm1      1.495 ppm2      6.625 CV     1
 ASSI {  697}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 21   and name HZ  ))
      4.900     4.900     1.100 peak   697 spectrum    5 weight  0.11000E+01 volume  0.24958E-03 ppm1      0.420 ppm2      7.513 CV     1
 ASSI {  698}
   (  segid "    " and resid 71   and name HD2%)
   (  segid "    " and resid 21   and name HE% )
      4.900     3.000     1.100 peak   698 spectrum    5 weight  0.11000E+01 volume  0.23429E-03 ppm1      0.419 ppm2      7.319 CV     1
 ASSI {  700}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 76   and name HD2 ))
      4.600     4.600     1.400 peak   700 spectrum    5 weight  0.11000E+01 volume  0.42290E-03 ppm1      0.421 ppm2      3.145 CV     1
 ASSI {  706}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 79   and name HB  ))
      5.500     5.500     0.500 peak   706 spectrum    5 weight  0.11000E+01 volume  0.15500E-03 ppm1      0.019 ppm2      2.372 CV     1
 ASSI {  709}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HB2 ))
      1.900     0.400     0.400 peak   709 spectrum    5 weight  0.11000E+01 volume  0.71973E-02 ppm1      1.945 ppm2      1.612 CV     1
 ASSI {  710}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HG1 ))
      2.700     0.900     0.900 peak   710 spectrum    5 weight  0.11000E+01 volume  0.55235E-02 ppm1      1.943 ppm2      1.556 CV     1
 ASSI {  713}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.300     0.600     0.600 peak   713 spectrum    5 weight  0.11000E+01 volume  0.46504E-02 ppm1      3.696 ppm2      1.612 CV     1
 ASSI {  714}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HG2 ))
      2.400     0.700     0.700 peak   714 spectrum    5 weight  0.11000E+01 volume  0.36701E-02 ppm1      1.946 ppm2      1.397 CV     1
 ASSI {  717}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      4.300     2.300     1.700 peak   717 spectrum    5 weight  0.11000E+01 volume  0.54519E-03 ppm1      2.618 ppm2      4.793 CV     1
 ASSI {  719}
   (( segid "    " and resid 43   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      5.100     3.200     0.900 peak   719 spectrum    5 weight  0.11000E+01 volume  0.30994E-03 ppm1      1.605 ppm2      4.789 CV     1
 ASSI {  721}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      4.300     2.300     1.700 peak   721 spectrum    5 weight  0.11000E+01 volume  0.17788E-03 ppm1      1.859 ppm2      4.793 CV     1
 ASSI {  725}
   (( segid "    " and resid 83   and name HG11))
   (  segid "    " and resid 38   and name HE% )
      3.900     1.900     1.900 peak   725 spectrum    5 weight  0.11000E+01 volume  0.97942E-03 ppm1      2.104 ppm2      7.178 CV     1
 ASSI {  726}
   (( segid "    " and resid 83   and name HG11))
   (  segid "    " and resid 38   and name HD% )
      4.400     4.400     1.600 peak   726 spectrum    5 weight  0.11000E+01 volume  0.70825E-03 ppm1      2.091 ppm2      7.122 CV     1
 ASSI {  727}
   (( segid "    " and resid 83   and name HG11))
   (( segid "    " and resid 38   and name HZ  ))
      3.700     1.700     1.700 peak   727 spectrum    5 weight  0.11000E+01 volume  0.91143E-03 ppm1      2.106 ppm2      7.081 CV     1
 ASSI {  729}
   (( segid "    " and resid 43   and name HG12))
   (  segid "    " and resid 38   and name HD% )
      2.900     1.100     1.100 peak   729 spectrum    5 weight  0.11000E+01 volume  0.99285E-03 ppm1      1.202 ppm2      7.126 CV     1
 ASSI {  731}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 38   and name HZ  ))
      3.700     1.700     1.700 peak   731 spectrum    5 weight  0.11000E+01 volume  0.12883E-02 ppm1      1.987 ppm2      7.092 CV     1
 ASSI {  732}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 38   and name HE% )
      3.700     1.800     1.800 peak   732 spectrum    5 weight  0.11000E+01 volume  0.31536E-03 ppm1      1.986 ppm2      7.174 CV     1
 ASSI {  738}
   (  segid "    " and resid 50   and name HD1%)
   (  segid "    " and resid 25   and name HG2%)
      2.600     2.600     3.400 peak   738 spectrum    5 weight  0.11000E+01 volume  0.29367E-02 ppm1      0.473 ppm2      0.692 CV     1
 ASSI {  739}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 50   and name HG2%)
      2.700     2.700     3.300 peak   739 spectrum    5 weight  0.11000E+01 volume  0.83065E-02 ppm1      0.229 ppm2      0.671 CV     1
 ASSI {  742}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 50   and name HB  ))
      3.000     1.100     1.100 peak   742 spectrum    5 weight  0.11000E+01 volume  0.21783E-02 ppm1      0.025 ppm2      1.608 CV     1
 ASSI {  743}
   (( segid "    " and resid 43   and name HG12))
   (( segid "    " and resid 43   and name HG11))
      1.500     1.500     4.500 peak   743 spectrum    5 weight  0.11000E+01 volume  0.12859E-01 ppm1      1.206 ppm2      1.610 CV     1
 ASSI {  753}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak   753 spectrum    5 weight  0.11000E+01 volume  0.34356E-02 ppm1      0.473 ppm2      3.277 CV     1
 ASSI {  754}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.200     1.200 peak   754 spectrum    5 weight  0.11000E+01 volume  0.28024E-02 ppm1      0.013 ppm2      3.274 CV     1
 ASSI {  757}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HA  ))
      2.900     1.000     1.000 peak   757 spectrum    5 weight  0.11000E+01 volume  0.16318E-02 ppm1      1.605 ppm2      3.273 CV     1
 ASSI {  779}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 82   and name HZ  ))
      4.800     2.900     1.200 peak   779 spectrum    5 weight  0.11000E+01 volume  0.12920E-02 ppm1      0.009 ppm2      7.319 CV     1
 ASSI {  780}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 82   and name HZ  ))
      5.800     4.300     0.200 peak   780 spectrum    5 weight  0.11000E+01 volume  0.15261E-03 ppm1      0.472 ppm2      7.314 CV     1
 ASSI {  782}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 82   and name HE% )
      3.100     3.100     2.900 peak   782 spectrum    5 weight  0.11000E+01 volume  0.63011E-03 ppm1      1.259 ppm2      7.128 CV     1
 ASSI {  783}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 86   and name HE% )
      4.100     4.100     1.900 peak   783 spectrum    5 weight  0.11000E+01 volume  0.53859E-03 ppm1      1.259 ppm2      6.784 CV     1
 ASSI {  785}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 86   and name HD% )
      4.100     4.100     1.900 peak   785 spectrum    5 weight  0.11000E+01 volume  0.23649E-03 ppm1      1.606 ppm2      6.739 CV     1
 ASSI {  787}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 86   and name HD% )
      5.100     5.100     0.900 peak   787 spectrum    5 weight  0.11000E+01 volume  0.21557E-03 ppm1      0.673 ppm2      6.739 CV     1
 ASSI {  788}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 86   and name HE% )
      4.400     4.400     1.600 peak   788 spectrum    5 weight  0.11000E+01 volume  0.41991E-03 ppm1      0.673 ppm2      6.785 CV     1
 ASSI {  791}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 82   and name HZ  ))
      4.800     4.800     1.200 peak   791 spectrum    5 weight  0.11000E+01 volume  0.50875E-03 ppm1      0.676 ppm2      7.315 CV     1
 ASSI {  795}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.900     1.000     1.000 peak   795 spectrum    5 weight  0.11000E+01 volume  0.13422E-02 ppm1      1.195 ppm2     -0.095 CV     1
 ASSI {  800}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HG  ))
      2.400     0.700     0.700 peak   800 spectrum    5 weight  0.11000E+01 volume  0.44997E-02 ppm1      0.229 ppm2      1.193 CV     1
 ASSI {  803}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD2%)
      2.400     0.700     0.700 peak   803 spectrum    5 weight  0.11000E+01 volume  0.49842E-02 ppm1      1.195 ppm2      0.007 CV     1
 ASSI {  807}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 79   and name HG2%)
      4.100     4.100     1.900 peak   807 spectrum    5 weight  0.11000E+01 volume  0.13748E-02 ppm1      0.011 ppm2      1.031 CV     1
 ASSI {  811}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 54   and name HD1%)
      4.200     2.200     1.800 peak   811 spectrum    5 weight  0.11000E+01 volume  0.27668E-03 ppm1      2.380 ppm2      0.227 CV     1
 ASSI {  812}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 71   and name HD2%)
      4.700     2.800     1.300 peak   812 spectrum    5 weight  0.11000E+01 volume  0.43196E-03 ppm1      2.379 ppm2      0.418 CV     1
 ASSI {  813}
   (( segid "    " and resid 79   and name HB  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.400     3.400     2.600 peak   813 spectrum    5 weight  0.11000E+01 volume  0.25032E-03 ppm1      2.383 ppm2      0.692 CV     1
 ASSI {  816}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
      3.600     1.600     1.600 peak   816 spectrum    5 weight  0.11000E+01 volume  0.99729E-03 ppm1      1.119 ppm2     -0.002 CV     1
 ASSI {  825}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.400     1.500     1.500 peak   825 spectrum    5 weight  0.11000E+01 volume  0.11095E-02 ppm1      2.799 ppm2      2.097 CV     1
 ASSI {  841}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   841 spectrum    5 weight  0.11000E+01 volume  0.76206E-02 ppm1      3.856 ppm2      4.225 CV     1
 ASSI {  843}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.300     0.700     0.700 peak   843 spectrum    5 weight  0.11000E+01 volume  0.84042E-02 ppm1      4.228 ppm2      3.853 CV     1
 ASSI {  846}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HE1 ))
      4.100     2.100     1.900 peak   846 spectrum    5 weight  0.11000E+01 volume  0.71500E-03 ppm1      4.097 ppm2      2.960 CV     1
 ASSI {  847}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 86   and name HD% )
      3.000     3.000     3.000 peak   847 spectrum    5 weight  0.11000E+01 volume  0.19817E-02 ppm1      4.102 ppm2      6.784 CV     1
 ASSI {  848}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 86   and name HE% )
      3.900     3.900     2.100 peak   848 spectrum    5 weight  0.11000E+01 volume  0.64809E-03 ppm1      4.101 ppm2      6.739 CV     1
 ASSI {  851}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.800     1.000     1.000 peak   851 spectrum    5 weight  0.11000E+01 volume  0.55645E-02 ppm1      4.203 ppm2      3.324 CV     1
 ASSI {  853}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD% )
      2.700     0.900     0.900 peak   853 spectrum    5 weight  0.11000E+01 volume  0.43047E-02 ppm1      4.203 ppm2      7.081 CV     1
 ASSI {  854}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HE% )
      4.200     4.200     1.800 peak   854 spectrum    5 weight  0.11000E+01 volume  0.83513E-03 ppm1      4.203 ppm2      7.127 CV     1
 ASSI {  856}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.600     0.800     0.800 peak   856 spectrum    5 weight  0.11000E+01 volume  0.40831E-02 ppm1      4.227 ppm2      2.833 CV     1
 ASSI {  869}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG12))
      2.600     0.900     0.900 peak   869 spectrum    5 weight  0.11000E+01 volume  0.28187E-02 ppm1      3.559 ppm2      0.872 CV     1
 ASSI {  877}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.100     1.100 peak   877 spectrum    5 weight  0.11000E+01 volume  0.12218E-02 ppm1      3.560 ppm2      2.707 CV     1
 ASSI {  880}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.400     1.400     1.400 peak   880 spectrum    5 weight  0.11000E+01 volume  0.28092E-02 ppm1      3.596 ppm2      2.062 CV     1
 ASSI {  885}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.600     1.600     1.600 peak   885 spectrum    5 weight  0.11000E+01 volume  0.10112E-02 ppm1      3.350 ppm2      1.833 CV     1
 ASSI {  886}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HB1 ))
      2.600     0.800     0.800 peak   886 spectrum    5 weight  0.11000E+01 volume  0.75908E-02 ppm1      1.747 ppm2      2.259 CV     1
 ASSI {  895}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HD1 ))
      3.400     1.500     1.500 peak   895 spectrum    5 weight  0.11000E+01 volume  0.90353E-03 ppm1      3.991 ppm2      3.571 CV     1
 ASSI {  896}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.800     1.800     1.800 peak   896 spectrum    5 weight  0.11000E+01 volume  0.79291E-03 ppm1      3.990 ppm2      3.347 CV     1
 ASSI {  897}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.400     0.700     0.700 peak   897 spectrum    5 weight  0.11000E+01 volume  0.43252E-02 ppm1      3.990 ppm2      2.266 CV     1
 ASSI {  906}
   (  segid "    " and resid 83   and name HD1%)
   (  segid "    " and resid 83   and name HG2%)
      2.400     2.400     3.600 peak   906 spectrum    5 weight  0.11000E+01 volume  0.16109E-01 ppm1      0.787 ppm2      0.923 CV     1
 ASSI {  908}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG12))
      2.300     0.600     0.600 peak   908 spectrum    5 weight  0.11000E+01 volume  0.51625E-02 ppm1      0.762 ppm2      1.203 CV     1
 ASSI {  911}
   (( segid "    " and resid 43   and name HG12))
   (  segid "    " and resid 43   and name HG2%)
      2.500     0.800     0.800 peak   911 spectrum    5 weight  0.11000E+01 volume  0.49809E-02 ppm1      1.203 ppm2      0.887 CV     1
 ASSI {  914}
   (( segid "    " and resid 43   and name HG11))
   (  segid "    " and resid 43   and name HG2%)
      3.000     3.000     3.000 peak   914 spectrum    5 weight  0.11000E+01 volume  0.39705E-02 ppm1      1.614 ppm2      0.879 CV     1
 ASSI {  915}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG11))
      3.000     1.100     1.100 peak   915 spectrum    5 weight  0.11000E+01 volume  0.19619E-02 ppm1      3.667 ppm2      1.605 CV     1
 ASSI {  918}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG11))
      3.300     1.300     1.300 peak   918 spectrum    5 weight  0.11000E+01 volume  0.34189E-02 ppm1      3.740 ppm2      1.398 CV     1
 ASSI {  923}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      2.800     2.800     3.200 peak   923 spectrum    5 weight  0.11000E+01 volume  0.56305E-02 ppm1      1.350 ppm2      3.929 CV     1
 ASSI {  926}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.500     0.800     0.800 peak   926 spectrum    5 weight  0.11000E+01 volume  0.39422E-02 ppm1      3.718 ppm2      2.270 CV     1
 ASSI {  928}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HE% )
      4.300     2.400     1.700 peak   928 spectrum    5 weight  0.11000E+01 volume  0.94455E-03 ppm1      3.718 ppm2      6.740 CV     1
 ASSI {  929}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB1 ))
      3.100     1.200     1.200 peak   929 spectrum    5 weight  0.11000E+01 volume  0.22941E-02 ppm1      3.715 ppm2      2.768 CV     1
 ASSI {  933}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HB1 ))
      2.000     0.500     0.500 peak   933 spectrum    5 weight  0.11000E+01 volume  0.55500E-02 ppm1      2.274 ppm2      2.768 CV     1
 ASSI {  939}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     0.800     0.800 peak   939 spectrum    5 weight  0.11000E+01 volume  0.22082E-02 ppm1      2.770 ppm2      3.279 CV     1
 ASSI {  940}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      3.500     1.500     1.500 peak   940 spectrum    5 weight  0.11000E+01 volume  0.15506E-02 ppm1      2.273 ppm2      3.279 CV     1
 ASSI {  943}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG11))
      2.600     0.800     0.800 peak   943 spectrum    5 weight  0.11000E+01 volume  0.24335E-02 ppm1      3.282 ppm2      2.104 CV     1
 ASSI {  944}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      2.600     0.800     0.800 peak   944 spectrum    5 weight  0.11000E+01 volume  0.27166E-02 ppm1      3.283 ppm2      2.002 CV     1
 ASSI {  949}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG12))
      3.100     1.200     1.200 peak   949 spectrum    5 weight  0.11000E+01 volume  0.29121E-02 ppm1      3.281 ppm2      0.975 CV     1
 ASSI {  954}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HD1%)
      2.500     0.800     0.800 peak   954 spectrum    5 weight  0.11000E+01 volume  0.42648E-02 ppm1      2.001 ppm2      0.782 CV     1
 ASSI {  955}
   (( segid "    " and resid 83   and name HG11))
   (  segid "    " and resid 83   and name HD1%)
      2.700     0.900     0.900 peak   955 spectrum    5 weight  0.11000E+01 volume  0.23186E-02 ppm1      2.106 ppm2      0.785 CV     1
 ASSI {  956}
   (( segid "    " and resid 83   and name HG11))
   (( segid "    " and resid 83   and name HG12))
      2.000     0.500     0.500 peak   956 spectrum    5 weight  0.11000E+01 volume  0.47959E-02 ppm1      2.106 ppm2      0.972 CV     1
 ASSI {  957}
   (( segid "    " and resid 83   and name HG11))
   (  segid "    " and resid 83   and name HG2%)
      2.500     0.800     0.800 peak   957 spectrum    5 weight  0.11000E+01 volume  0.52714E-02 ppm1      2.108 ppm2      0.924 CV     1
 ASSI {  958}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      2.400     0.700     0.700 peak   958 spectrum    5 weight  0.11000E+01 volume  0.42346E-02 ppm1      1.996 ppm2      0.925 CV     1
 ASSI {  959}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HG12))
      2.800     1.000     1.000 peak   959 spectrum    5 weight  0.11000E+01 volume  0.15362E-02 ppm1      1.997 ppm2      0.973 CV     1
 ASSI {  965}
   (( segid "    " and resid 29   and name HG11))
   (  segid "    " and resid 25   and name HG1%)
      2.800     2.800     3.200 peak   965 spectrum    5 weight  0.11000E+01 volume  0.28489E-02 ppm1      1.760 ppm2      0.785 CV     1
 ASSI {  967}
   (( segid "    " and resid 29   and name HG11))
   (( segid "    " and resid 29   and name HG12))
      1.900     0.500     0.500 peak   967 spectrum    5 weight  0.11000E+01 volume  0.62288E-02 ppm1      1.759 ppm2      0.873 CV     1
 ASSI {  969}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 29   and name HG12))
      2.900     1.100     1.100 peak   969 spectrum    5 weight  0.11000E+01 volume  0.27061E-02 ppm1      1.880 ppm2      0.868 CV     1
 ASSI {  987}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      2.200     0.600     0.600 peak   987 spectrum    5 weight  0.11000E+01 volume  0.81767E-02 ppm1      0.695 ppm2      3.593 CV     1
 ASSI {  988}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HA  ))
      3.600     1.600     1.600 peak   988 spectrum    5 weight  0.11000E+01 volume  0.21768E-02 ppm1      0.697 ppm2      3.560 CV     1
 ASSI {  994}
   (( segid "    " and resid 29   and name HG11))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   994 spectrum    5 weight  0.11000E+01 volume  0.21870E-02 ppm1      1.759 ppm2      3.559 CV     1
 ASSI {  996}
   (( segid "    " and resid 90   and name HG12))
   (  segid "    " and resid 90   and name HD1%)
      2.400     0.700     0.700 peak   996 spectrum    5 weight  0.11000E+01 volume  0.46788E-02 ppm1      1.204 ppm2      0.717 CV     1
 ASSI {  998}
   (( segid "    " and resid 90   and name HG12))
   (  segid "    " and resid 90   and name HG2%)
      3.200     1.300     1.300 peak   998 spectrum    5 weight  0.11000E+01 volume  0.41574E-02 ppm1      1.211 ppm2      0.799 CV     1
 ASSI { 1027}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 90   and name HG11))
      2.700     0.900     0.900 peak  1027 spectrum    5 weight  0.11000E+01 volume  0.27941E-02 ppm1      0.801 ppm2      1.405 CV     1
 ASSI { 1041}
   (( segid "    " and resid 90   and name HG11))
   (  segid "    " and resid 86   and name HD% )
      3.800     3.800     2.200 peak  1041 spectrum    5 weight  0.11000E+01 volume  0.78925E-03 ppm1      1.408 ppm2      6.738 CV     1
 ASSI { 1044}
   (( segid "    " and resid 90   and name HG12))
   (  segid "    " and resid 86   and name HD% )
      3.500     1.500     1.500 peak  1044 spectrum    5 weight  0.11000E+01 volume  0.50760E-03 ppm1      1.212 ppm2      6.784 CV     1
 ASSI { 1045}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 86   and name HD% )
      4.800     4.800     1.200 peak  1045 spectrum    5 weight  0.11000E+01 volume  0.32716E-03 ppm1      1.987 ppm2      6.736 CV     1
 ASSI { 1046}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 86   and name HE% )
      5.500     5.500     0.500 peak  1046 spectrum    5 weight  0.11000E+01 volume  0.22489E-03 ppm1      1.990 ppm2      6.785 CV     1
 ASSI { 1053}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 38   and name HZ  ))
      2.500     2.500     3.500 peak  1053 spectrum    5 weight  0.11000E+01 volume  0.15361E-02 ppm1      0.721 ppm2      7.094 CV     1
 ASSI { 1054}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 38   and name HD% )
      3.200     3.200     2.800 peak  1054 spectrum    5 weight  0.11000E+01 volume  0.34107E-03 ppm1      0.718 ppm2      7.125 CV     1
 ASSI { 1055}
   (  segid "    " and resid 90   and name HD1%)
   (  segid "    " and resid 38   and name HE% )
      2.800     2.800     3.200 peak  1055 spectrum    5 weight  0.11000E+01 volume  0.70053E-03 ppm1      0.721 ppm2      7.175 CV     1
 ASSI { 1056}
   (  segid "    " and resid 90   and name HG2%)
   (  segid "    " and resid 38   and name HE% )
      3.400     1.400     1.400 peak  1056 spectrum    5 weight  0.11000E+01 volume  0.12430E-02 ppm1      0.804 ppm2      7.174 CV     1
 ASSI { 1057}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 38   and name HZ  ))
      2.400     2.400     3.600 peak  1057 spectrum    5 weight  0.11000E+01 volume  0.18072E-02 ppm1      0.802 ppm2      7.093 CV     1
 ASSI { 1059}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 38   and name HD% )
      3.100     3.100     2.900 peak  1059 spectrum    5 weight  0.11000E+01 volume  0.11011E-02 ppm1      2.616 ppm2      7.125 CV     1
 ASSI { 1060}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 38   and name HE% )
      4.600     2.600     1.400 peak  1060 spectrum    5 weight  0.11000E+01 volume  0.18300E-03 ppm1      2.611 ppm2      7.173 CV     1
 ASSI { 1065}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      3.700     1.700     1.700 peak  1065 spectrum    5 weight  0.11000E+01 volume  0.12348E-02 ppm1      3.046 ppm2      0.753 CV     1
 ASSI { 1067}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 43   and name HG12))
      4.100     2.100     1.900 peak  1067 spectrum    5 weight  0.11000E+01 volume  0.93769E-03 ppm1      3.046 ppm2      1.208 CV     1
 ASSI { 1070}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      5.100     3.300     0.900 peak  1070 spectrum    5 weight  0.11000E+01 volume  0.33544E-03 ppm1      3.192 ppm2      3.668 CV     1
 ASSI { 1071}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      5.200     3.300     0.800 peak  1071 spectrum    5 weight  0.11000E+01 volume  0.52266E-03 ppm1      3.045 ppm2      3.665 CV     1
 ASSI { 1082}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 24   and name HD% )
      4.700     2.800     1.300 peak  1082 spectrum    5 weight  0.11000E+01 volume  0.28277E-03 ppm1      2.383 ppm2      7.011 CV     1
 ASSI { 1094}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG1 ))
      2.900     1.100     1.100 peak  1094 spectrum    5 weight  0.11000E+01 volume  0.56443E-02 ppm1      3.742 ppm2      1.664 CV     1
 ASSI { 1095}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
      2.500     0.800     0.800 peak  1095 spectrum    5 weight  0.11000E+01 volume  0.42823E-02 ppm1      3.745 ppm2      1.634 CV     1
 ASSI { 1096}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.400     0.700     0.700 peak  1096 spectrum    5 weight  0.11000E+01 volume  0.46213E-02 ppm1      3.746 ppm2      1.760 CV     1
 ASSI { 1097}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.400     0.700     0.700 peak  1097 spectrum    5 weight  0.11000E+01 volume  0.10694E-01 ppm1      4.000 ppm2      1.760 CV     1
 ASSI { 1103}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HE2 ))
      3.600     3.600     2.400 peak  1103 spectrum    5 weight  0.11000E+01 volume  0.54780E-03 ppm1      1.267 ppm2      2.740 CV     1
 ASSI { 1105}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HG1 ))
      3.100     3.100     2.900 peak  1105 spectrum    5 weight  0.11000E+01 volume  0.16718E-02 ppm1      3.789 ppm2      1.872 CV     1
 ASSI { 1106}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.400     1.500     1.500 peak  1106 spectrum    5 weight  0.11000E+01 volume  0.21856E-02 ppm1      3.788 ppm2      3.346 CV     1
 ASSI { 1107}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HD1 ))
      2.900     1.000     1.000 peak  1107 spectrum    5 weight  0.11000E+01 volume  0.13073E-02 ppm1      3.789 ppm2      3.575 CV     1
 ASSI { 1108}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.300     2.300     1.700 peak  1108 spectrum    5 weight  0.11000E+01 volume  0.67766E-03 ppm1      3.791 ppm2      2.259 CV     1
 ASSI { 1112}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      2.300     0.700     0.700 peak  1112 spectrum    5 weight  0.11000E+01 volume  0.72477E-02 ppm1      3.164 ppm2      0.918 CV     1
 ASSI { 1120}
   (( segid "    " and resid 26   and name HD2 ))
   (  segid "    " and resid 22   and name HB% )
      2.900     2.900     3.100 peak  1120 spectrum    5 weight  0.11000E+01 volume  0.60994E-03 ppm1      3.349 ppm2      1.494 CV     1
 ASSI { 1122}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 22   and name HB% )
      3.900     3.900     2.100 peak  1122 spectrum    5 weight  0.11000E+01 volume  0.83468E-03 ppm1      2.264 ppm2      1.496 CV     1
 ASSI { 1130}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 21   and name HB1 ))
      3.500     1.500     1.500 peak  1130 spectrum    5 weight  0.11000E+01 volume  0.21242E-02 ppm1      1.159 ppm2      3.075 CV     1
 ASSI { 1132}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak  1132 spectrum    5 weight  0.11000E+01 volume  0.26292E-02 ppm1      0.924 ppm2      2.955 CV     1
 ASSI { 1133}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 18   and name HB2 ))
      3.700     1.700     1.700 peak  1133 spectrum    5 weight  0.11000E+01 volume  0.31594E-02 ppm1      1.156 ppm2      2.885 CV     1
 ASSI { 1140}
   (  segid "    " and resid 51   and name HG2%)
   (  segid "    " and resid 21   and name HD% )
      4.200     2.200     1.800 peak  1140 spectrum    5 weight  0.11000E+01 volume  0.97980E-03 ppm1      0.921 ppm2      7.512 CV     1
 ASSI { 1142}
   (( segid "    " and resid 58   and name HG1 ))
   (  segid "    " and resid 21   and name HD% )
      3.400     3.400     2.600 peak  1142 spectrum    5 weight  0.11000E+01 volume  0.24470E-03 ppm1      1.677 ppm2      7.510 CV     1
 ASSI { 1143}
   (( segid "    " and resid 58   and name HG1 ))
   (( segid "    " and resid 21   and name HZ  ))
      3.300     1.400     1.400 peak  1143 spectrum    5 weight  0.11000E+01 volume  0.10740E-02 ppm1      1.678 ppm2      7.552 CV     1
 ASSI { 1146}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      3.900     1.900     1.900 peak  1146 spectrum    5 weight  0.11000E+01 volume  0.11931E-02 ppm1      4.402 ppm2      0.920 CV     1
 ASSI { 1151}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 51   and name HG1%)
      3.200     1.300     1.300 peak  1151 spectrum    5 weight  0.11000E+01 volume  0.93534E-03 ppm1      3.129 ppm2      1.157 CV     1
 ASSI { 1152}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 21   and name HZ  ))
      4.200     4.200     1.800 peak  1152 spectrum    5 weight  0.11000E+01 volume  0.50655E-03 ppm1      0.009 ppm2      7.513 CV     1
 ASSI { 1153}
   (( segid "    " and resid 50   and name HG12))
   (  segid "    " and resid 21   and name HD% )
      3.700     3.700     2.300 peak  1153 spectrum    5 weight  0.11000E+01 volume  0.43464E-03 ppm1      0.008 ppm2      7.553 CV     1
 ASSI { 1158}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name HB  ))
      5.100     5.100     0.900 peak  1158 spectrum    5 weight  0.11000E+01 volume  0.36618E-03 ppm1      0.229 ppm2      3.596 CV     1
 ASSI { 1161}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.300     3.300     2.700 peak  1161 spectrum    5 weight  0.11000E+01 volume  0.29048E-03 ppm1      0.229 ppm2      4.151 CV     1
 ASSI { 1167}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 55   and name HB  ))
      5.200     5.200     0.800 peak  1167 spectrum    5 weight  0.11000E+01 volume  0.16898E-03 ppm1      0.008 ppm2      3.599 CV     1
 ASSI { 1171}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      4.800     2.900     1.200 peak  1171 spectrum    5 weight  0.11000E+01 volume  0.26642E-03 ppm1      0.026 ppm2      3.911 CV     1
 ASSI { 1172}
   (  segid "    " and resid 71   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.500     1.500 peak  1172 spectrum    5 weight  0.11000E+01 volume  0.19886E-03 ppm1      0.027 ppm2      4.390 CV     1
 ASSI { 1173}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
      5.200     5.200     0.800 peak  1173 spectrum    5 weight  0.11000E+01 volume  0.19128E-03 ppm1      0.424 ppm2      3.914 CV     1
 ASSI { 1174}
   (  segid "    " and resid 71   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      4.900     4.900     1.100 peak  1174 spectrum    5 weight  0.11000E+01 volume  0.24071E-03 ppm1      0.420 ppm2      4.390 CV     1
 ASSI { 1179}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.000     1.100     1.100 peak  1179 spectrum    5 weight  0.11000E+01 volume  0.19883E-02 ppm1      3.341 ppm2      0.707 CV     1
 ASSI { 1180}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      2.900     1.000     1.000 peak  1180 spectrum    5 weight  0.11000E+01 volume  0.17129E-02 ppm1      3.340 ppm2      1.192 CV     1
 ASSI { 1185}
   (( segid "    " and resid 25   and name HB  ))
   (  segid "    " and resid 50   and name HD1%)
      5.100     3.300     0.900 peak  1185 spectrum    5 weight  0.11000E+01 volume  0.32153E-03 ppm1      1.881 ppm2      0.470 CV     1
 ASSI { 1188}
   (  segid "    " and resid 83   and name HD1%)
   (  segid "    " and resid 50   and name HD1%)
      2.500     2.500     3.500 peak  1188 spectrum    5 weight  0.11000E+01 volume  0.33840E-02 ppm1      0.787 ppm2      0.470 CV     1
 ASSI { 1192}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 50   and name HD1%)
      3.400     3.400     2.600 peak  1192 spectrum    5 weight  0.11000E+01 volume  0.22032E-02 ppm1      0.928 ppm2      0.471 CV     1
 ASSI { 1193}
   (( segid "    " and resid 83   and name HG12))
   (  segid "    " and resid 50   and name HD1%)
      3.200     1.200     1.200 peak  1193 spectrum    5 weight  0.11000E+01 volume  0.14737E-02 ppm1      0.972 ppm2      0.469 CV     1
 ASSI { 1197}
   (  segid "    " and resid 50   and name HD1%)
   (( segid "    " and resid 29   and name HG11))
      4.200     2.200     1.800 peak  1197 spectrum    5 weight  0.11000E+01 volume  0.40205E-03 ppm1      0.472 ppm2      1.756 CV     1
 ASSI { 1206}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 24   and name HD% )
      4.800     2.900     1.200 peak  1206 spectrum    5 weight  0.11000E+01 volume  0.32217E-03 ppm1      4.240 ppm2      7.011 CV     1
 ASSI { 1212}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak  1212 spectrum    5 weight  0.11000E+01 volume  0.71586E-02 ppm1      4.101 ppm2      1.906 CV     1
 ASSI { 1215}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 20   and name HE% )
      5.900     4.400     0.100 peak  1215 spectrum    5 weight  0.11000E+01 volume  0.18706E-03 ppm1      2.449 ppm2      6.875 CV     1
 OR { 1215}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 20   and name HE% )
 ASSI { 1216}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 20   and name HZ  ))
      6.000     4.600     0.000 peak  1216 spectrum    5 weight  0.11000E+01 volume  0.12510E-03 ppm1      2.451 ppm2      7.047 CV     1
 OR { 1216}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 20   and name HZ  ))
 ASSI { 1217}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak  1217 spectrum    5 weight  0.11000E+01 volume  0.26551E-02 ppm1      2.712 ppm2      4.928 CV     1
 ASSI { 1219}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak  1219 spectrum    5 weight  0.11000E+01 volume  0.64003E-03 ppm1      4.414 ppm2      4.932 CV     1
 ASSI { 1226}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      3.400     3.400     2.600 peak  1226 spectrum    5 weight  0.11000E+01 volume  0.15622E-02 ppm1      3.991 ppm2      0.814 CV     1
 ASSI { 1232}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
      3.500     1.500     1.500 peak  1232 spectrum    5 weight  0.11000E+01 volume  0.19111E-02 ppm1      3.340 ppm2      1.635 CV     1
 ASSI { 1236}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HG2 ))
      2.400     2.400     3.600 peak  1236 spectrum    5 weight  0.11000E+01 volume  0.19665E-02 ppm1      1.350 ppm2      1.746 CV     1
 ASSI { 1238}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      2.400     0.700     0.700 peak  1238 spectrum    5 weight  0.11000E+01 volume  0.46206E-02 ppm1      4.102 ppm2      2.129 CV     1
 ASSI { 1241}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 90   and name HD1%)
      3.800     3.800     2.200 peak  1241 spectrum    5 weight  0.11000E+01 volume  0.15865E-02 ppm1      4.102 ppm2      0.718 CV     1
 ASSI { 1242}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 90   and name HG2%)
      3.800     3.800     2.200 peak  1242 spectrum    5 weight  0.11000E+01 volume  0.14840E-02 ppm1      4.102 ppm2      0.798 CV     1
 ASSI { 1243}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 90   and name HG12))
      2.800     1.000     1.000 peak  1243 spectrum    5 weight  0.11000E+01 volume  0.17814E-02 ppm1      4.102 ppm2      1.209 CV     1
 ASSI { 1244}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
      2.800     1.000     1.000 peak  1244 spectrum    5 weight  0.11000E+01 volume  0.23681E-02 ppm1      4.102 ppm2      2.508 CV     1
 ASSI { 1245}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG1 ))
      3.100     1.200     1.200 peak  1245 spectrum    5 weight  0.11000E+01 volume  0.15644E-02 ppm1      4.102 ppm2      2.683 CV     1
 ASSI { 1250}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB1 ))
      3.200     1.300     1.300 peak  1250 spectrum    5 weight  0.11000E+01 volume  0.17727E-02 ppm1      2.689 ppm2      2.142 CV     1
 ASSI { 1261}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      2.600     0.900     0.900 peak  1261 spectrum    5 weight  0.11000E+01 volume  0.69236E-02 ppm1      1.893 ppm2      4.096 CV     1
 ASSI { 1267}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 38   and name HZ  ))
      3.000     1.100     1.100 peak  1267 spectrum    5 weight  0.11000E+01 volume  0.15530E-02 ppm1      4.102 ppm2      7.093 CV     1
 ASSI { 1268}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 38   and name HD% )
      3.600     3.600     2.400 peak  1268 spectrum    5 weight  0.11000E+01 volume  0.11054E-02 ppm1      4.102 ppm2      7.120 CV     1
 ASSI { 1269}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 38   and name HD% )
      3.200     3.200     2.800 peak  1269 spectrum    5 weight  0.11000E+01 volume  0.16855E-02 ppm1      1.559 ppm2      7.125 CV     1
 ASSI { 1270}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 38   and name HZ  ))
      3.700     1.700     1.700 peak  1270 spectrum    5 weight  0.11000E+01 volume  0.13161E-02 ppm1      1.559 ppm2      7.095 CV     1
 ASSI { 1271}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 38   and name HE% )
      2.600     2.600     3.400 peak  1271 spectrum    5 weight  0.11000E+01 volume  0.26224E-02 ppm1      1.559 ppm2      7.177 CV     1
 ASSI { 1272}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 38   and name HE% )
      3.900     1.900     1.900 peak  1272 spectrum    5 weight  0.11000E+01 volume  0.36483E-03 ppm1      4.100 ppm2      7.175 CV     1
 ASSI { 1273}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 86   and name HE% )
      3.400     3.400     2.600 peak  1273 spectrum    5 weight  0.11000E+01 volume  0.26001E-03 ppm1      1.559 ppm2      6.738 CV     1
 ASSI { 1274}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 86   and name HD% )
      3.100     3.100     2.900 peak  1274 spectrum    5 weight  0.11000E+01 volume  0.42502E-03 ppm1      1.558 ppm2      6.786 CV     1
 ASSI { 1275}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 86   and name HD% )
      3.700     3.700     2.300 peak  1275 spectrum    5 weight  0.11000E+01 volume  0.67841E-03 ppm1      2.682 ppm2      6.736 CV     1
 ASSI { 1279}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 38   and name HZ  ))
      3.500     1.500     1.500 peak  1279 spectrum    5 weight  0.11000E+01 volume  0.45221E-03 ppm1      2.509 ppm2      7.093 CV     1
 ASSI { 1280}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 38   and name HE% )
      3.800     1.800     1.800 peak  1280 spectrum    5 weight  0.11000E+01 volume  0.22703E-03 ppm1      2.510 ppm2      7.174 CV     1
 ASSI { 1281}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 38   and name HD% )
      5.000     3.100     1.000 peak  1281 spectrum    5 weight  0.11000E+01 volume  0.31459E-03 ppm1      2.682 ppm2      7.131 CV     1
 ASSI { 1282}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 38   and name HZ  ))
      4.700     2.800     1.300 peak  1282 spectrum    5 weight  0.11000E+01 volume  0.24604E-03 ppm1      2.684 ppm2      7.088 CV     1
 ASSI { 1283}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 38   and name HZ  ))
      4.900     3.100     1.100 peak  1283 spectrum    5 weight  0.11000E+01 volume  0.41298E-03 ppm1      1.892 ppm2      7.094 CV     1
 ASSI { 1284}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 38   and name HZ  ))
      4.400     2.400     1.600 peak  1284 spectrum    5 weight  0.11000E+01 volume  0.29354E-03 ppm1      2.154 ppm2      7.094 CV     1
 ASSI { 1297}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 20   and name HE% )
      4.600     2.600     1.400 peak  1297 spectrum    5 weight  0.11000E+01 volume  0.45736E-03 ppm1      2.933 ppm2      6.874 CV     1
 ASSI { 1298}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 17   and name HE3 ))
      3.400     1.400     1.400 peak  1298 spectrum    5 weight  0.11000E+01 volume  0.68289E-03 ppm1      3.171 ppm2      7.342 CV     1
 ASSI { 1299}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.900     3.000     1.100 peak  1299 spectrum    5 weight  0.11000E+01 volume  0.44695E-03 ppm1      2.933 ppm2      7.342 CV     1
 ASSI { 1302}
   (( segid "    " and resid 24   and name HB1 ))
   (  segid "    " and resid 24   and name HE% )
      4.700     2.700     1.300 peak  1302 spectrum    5 weight  0.11000E+01 volume  0.46068E-03 ppm1      3.096 ppm2      6.629 CV     1
 ASSI { 1303}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 17   and name HZ3 ))
      4.100     2.100     1.900 peak  1303 spectrum    5 weight  0.11000E+01 volume  0.99968E-03 ppm1      3.142 ppm2      6.392 CV     1
 ASSI { 1310}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HE3 ))
      4.300     2.300     1.700 peak  1310 spectrum    5 weight  0.11000E+01 volume  0.67841E-03 ppm1      3.426 ppm2      7.342 CV     1
 ASSI { 1311}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 21   and name HE% )
      3.800     1.800     1.800 peak  1311 spectrum    5 weight  0.11000E+01 volume  0.67986E-03 ppm1      3.688 ppm2      7.321 CV     1
 ASSI { 1312}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 21   and name HD% )
      3.300     1.300     1.300 peak  1312 spectrum    5 weight  0.11000E+01 volume  0.81998E-03 ppm1      3.689 ppm2      7.514 CV     1
 ASSI { 1313}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 21   and name HD% )
      4.800     2.900     1.200 peak  1313 spectrum    5 weight  0.11000E+01 volume  0.38735E-03 ppm1      3.426 ppm2      7.513 CV     1
 ASSI { 1314}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 21   and name HZ  ))
      4.600     2.600     1.400 peak  1314 spectrum    5 weight  0.11000E+01 volume  0.45829E-03 ppm1      3.148 ppm2      7.551 CV     1
 ASSI { 1321}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HD2 ))
      3.500     3.500     2.500 peak  1321 spectrum    5 weight  0.11000E+01 volume  0.75610E-03 ppm1      3.203 ppm2      7.183 CV     1
 ASSI { 1327}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HD2 ))
      3.500     3.500     2.500 peak  1327 spectrum    5 weight  0.11000E+01 volume  0.10116E-02 ppm1      4.265 ppm2      7.179 CV     1
 ASSI { 1333}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.300     1.400     1.400 peak  1333 spectrum    5 weight  0.11000E+01 volume  0.15007E-02 ppm1      4.211 ppm2      7.179 CV     1
 ASSI { 1334}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
      3.000     1.200     1.200 peak  1334 spectrum    5 weight  0.11000E+01 volume  0.18337E-02 ppm1      3.943 ppm2      7.179 CV     1
 ASSI { 1335}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      2.300     0.700     0.700 peak  1335 spectrum    5 weight  0.11000E+01 volume  0.59192E-02 ppm1      3.942 ppm2      2.120 CV     1
 ASSI { 1336}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.000     1.100     1.100 peak  1336 spectrum    5 weight  0.11000E+01 volume  0.29578E-02 ppm1      3.942 ppm2      2.294 CV     1
 ASSI { 1341}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HG1 ))
      2.300     0.600     0.600 peak  1341 spectrum    5 weight  0.11000E+01 volume  0.33758E-02 ppm1      2.125 ppm2      2.294 CV     1
 ASSI { 1360}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 21   and name HE% )
      4.700     2.700     1.300 peak  1360 spectrum    5 weight  0.11000E+01 volume  0.44658E-03 ppm1      3.339 ppm2      7.319 CV     1
 ASSI { 1361}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 21   and name HD% )
      5.100     5.100     0.900 peak  1361 spectrum    5 weight  0.11000E+01 volume  0.23276E-03 ppm1      3.340 ppm2      7.513 CV     1
 ASSI { 1362}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 21   and name HZ  ))
      6.000     5.100     0.000 peak  1362 spectrum    5 weight  0.11000E+01 volume  0.13258E-03 ppm1      3.341 ppm2      7.554 CV     1
 ASSI { 1363}
   (  segid "    " and resid 25   and name HG2%)
   (  segid "    " and resid 21   and name HD% )
      2.700     2.700     3.300 peak  1363 spectrum    5 weight  0.11000E+01 volume  0.30063E-02 ppm1      0.695 ppm2      7.513 CV     1
 ASSI { 1364}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 21   and name HZ  ))
      4.500     4.500     1.500 peak  1364 spectrum    5 weight  0.11000E+01 volume  0.37073E-03 ppm1      0.698 ppm2      7.547 CV     1
 ASSI { 1365}
   (  segid "    " and resid 25   and name HG2%)
   (  segid "    " and resid 21   and name HE% )
      4.100     4.100     1.900 peak  1365 spectrum    5 weight  0.11000E+01 volume  0.64645E-03 ppm1      0.698 ppm2      7.320 CV     1
 ASSI { 1366}
   (  segid "    " and resid 25   and name HG2%)
   (( segid "    " and resid 24   and name HZ  ))
      4.300     2.300     1.700 peak  1366 spectrum    5 weight  0.11000E+01 volume  0.41898E-03 ppm1      0.694 ppm2      7.160 CV     1
 ASSI { 1367}
   (  segid "    " and resid 25   and name HG2%)
   (  segid "    " and resid 24   and name HE% )
      3.200     3.200     2.800 peak  1367 spectrum    5 weight  0.11000E+01 volume  0.10082E-02 ppm1      0.695 ppm2      6.627 CV     1
 ASSI { 1368}
   (  segid "    " and resid 25   and name HG2%)
   (  segid "    " and resid 24   and name HD% )
      3.300     3.300     2.700 peak  1368 spectrum    5 weight  0.11000E+01 volume  0.10611E-02 ppm1      0.695 ppm2      7.010 CV     1
 ASSI { 1369}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 24   and name HE% )
      2.800     2.800     3.200 peak  1369 spectrum    5 weight  0.11000E+01 volume  0.70362E-03 ppm1      0.930 ppm2      6.627 CV     1
 ASSI { 1370}
   (  segid "    " and resid 83   and name HG2%)
   (  segid "    " and resid 24   and name HD% )
      2.400     2.400     3.600 peak  1370 spectrum    5 weight  0.11000E+01 volume  0.17449E-02 ppm1      0.930 ppm2      7.011 CV     1
 ASSI { 1371}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 20   and name HE% )
      3.100     1.200     1.200 peak  1371 spectrum    5 weight  0.11000E+01 volume  0.12125E-02 ppm1      1.610 ppm2      6.874 CV     1
 ASSI { 1372}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 20   and name HZ  ))
      2.900     1.000     1.000 peak  1372 spectrum    5 weight  0.11000E+01 volume  0.11618E-02 ppm1      1.609 ppm2      7.052 CV     1
 ASSI { 1374}
   (( segid "    " and resid 43   and name HG11))
   (  segid "    " and resid 38   and name HD% )
      3.600     1.600     1.600 peak  1374 spectrum    5 weight  0.11000E+01 volume  0.65585E-03 ppm1      1.610 ppm2      7.124 CV     1
 ASSI { 1378}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 20   and name HD% )
      4.400     2.400     1.600 peak  1378 spectrum    5 weight  0.11000E+01 volume  0.25291E-03 ppm1      1.618 ppm2      6.644 CV     1
 ASSI { 1381}
   (( segid "    " and resid 58   and name HG1 ))
   (  segid "    " and resid 21   and name HE% )
      3.000     1.200     1.200 peak  1381 spectrum    5 weight  0.11000E+01 volume  0.15420E-02 ppm1      1.665 ppm2      7.317 CV     1
 ASSI { 1386}
   (( segid "    " and resid 58   and name HG2 ))
   (  segid "    " and resid 21   and name HE% )
      3.300     1.300     1.300 peak  1386 spectrum    5 weight  0.11000E+01 volume  0.13972E-02 ppm1      0.867 ppm2      7.319 CV     1
 ASSI { 1387}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 21   and name HZ  ))
      3.400     1.500     1.500 peak  1387 spectrum    5 weight  0.11000E+01 volume  0.13676E-02 ppm1      0.866 ppm2      7.551 CV     1
 ASSI { 1389}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 17   and name HE3 ))
      2.900     2.900     3.100 peak  1389 spectrum    5 weight  0.11000E+01 volume  0.64813E-03 ppm1      0.863 ppm2      7.340 CV     1
 ASSI { 1390}
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 21   and name HZ  ))
      4.600     2.600     1.400 peak  1390 spectrum    5 weight  0.11000E+01 volume  0.39511E-03 ppm1      1.028 ppm2      7.553 CV     1
 ASSI { 1391}
   (( segid "    " and resid 58   and name HB1 ))
   (  segid "    " and resid 21   and name HE% )
      3.800     3.800     2.200 peak  1391 spectrum    5 weight  0.11000E+01 volume  0.10394E-02 ppm1      1.030 ppm2      7.320 CV     1
 ASSI {   51}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak    51 spectrum    1 weight  0.11000E+01 volume  0.23790E-02 ppm1      3.115 ppm2      4.384 CV     1
 OR {   51}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {   52}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.900     0.900 peak    52 spectrum    1 weight  0.11000E+01 volume  0.43677E-02 ppm1      2.873 ppm2      4.380 CV     1
 OR {   52}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  130}
   (( segid "    " and resid 43   and name HG12))
   (( segid "    " and resid 43   and name HA  ))
      2.300     0.700     0.700 peak   130 spectrum    1 weight  0.11000E+01 volume  0.33345E-02 ppm1      1.191 ppm2      3.665 CV     1
 OR {  130}
   (( segid "    " and resid 91   and name HG12))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {  136}
   (( segid "    " and resid 91   and name HG12))
   (( segid "    " and resid 91   and name HB  ))
      2.900     1.100     1.100 peak   136 spectrum    1 weight  0.11000E+01 volume  0.27052E-02 ppm1      1.199 ppm2      1.997 CV     1
 OR {  136}
   (( segid "    " and resid 43   and name HG12))
   (( segid "    " and resid 43   and name HB  ))
 ASSI {  141}
   (( segid "    " and resid 43   and name HG11))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   141 spectrum    1 weight  0.11000E+01 volume  0.33482E-02 ppm1      1.576 ppm2      3.675 CV     1
 OR {  141}
   (( segid "    " and resid 91   and name HG11))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {  142}
   (( segid "    " and resid 43   and name HG11))
   (( segid "    " and resid 43   and name HB  ))
      2.100     0.600     0.600 peak   142 spectrum    1 weight  0.11000E+01 volume  0.76960E-02 ppm1      1.576 ppm2      2.005 CV     1
 OR {  142}
   (( segid "    " and resid 91   and name HG11))
   (( segid "    " and resid 91   and name HB  ))
 ASSI {  144}
   (( segid "    " and resid 43   and name HG11))
   (( segid "    " and resid 43   and name HG12))
      1.800     0.400     0.400 peak   144 spectrum    1 weight  0.11000E+01 volume  0.94921E-02 ppm1      1.576 ppm2      1.186 CV     1
 OR {  144}
   (( segid "    " and resid 91   and name HG11))
   (( segid "    " and resid 91   and name HG12))
 ASSI {  145}
   (( segid "    " and resid 91   and name HG11))
   (  segid "    " and resid 91   and name HG2%)
      2.900     1.100     1.100 peak   145 spectrum    1 weight  0.11000E+01 volume  0.52043E-02 ppm1      1.576 ppm2      0.865 CV     1
 OR {  145}
   (( segid "    " and resid 43   and name HG11))
   (  segid "    " and resid 43   and name HG2%)
 ASSI {  146}
   (( segid "    " and resid 43   and name HG11))
   (  segid "    " and resid 43   and name HD1%)
      2.300     0.700     0.700 peak   146 spectrum    1 weight  0.11000E+01 volume  0.67587E-02 ppm1      1.576 ppm2      0.721 CV     1
 OR {  146}
   (( segid "    " and resid 91   and name HG11))
   (  segid "    " and resid 91   and name HD1%)
 ASSI {  150}
   (( segid "    " and resid 43   and name HG12))
   (  segid "    " and resid 43   and name HD1%)
      2.400     0.700     0.700 peak   150 spectrum    1 weight  0.11000E+01 volume  0.58569E-02 ppm1      1.184 ppm2      0.746 CV     1
 OR {  150}
   (( segid "    " and resid 91   and name HG12))
   (  segid "    " and resid 91   and name HD1%)
 ASSI {  151}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 91   and name HA  ))
      2.600     0.900     0.900 peak   151 spectrum    1 weight  0.11000E+01 volume  0.58290E-02 ppm1      0.864 ppm2      3.673 CV     1
 OR {  151}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  152}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 91   and name HB  ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.11000E+01 volume  0.68650E-02 ppm1      0.864 ppm2      2.021 CV     1
 OR {  152}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HB  ))
 ASSI {  154}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HG12))
      2.600     0.800     0.800 peak   154 spectrum    1 weight  0.11000E+01 volume  0.47105E-02 ppm1      0.864 ppm2      1.188 CV     1
 OR {  154}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 91   and name HG12))
 ASSI {  156}
   (  segid "    " and resid 43   and name HG2%)
   (  segid "    " and resid 43   and name HD1%)
      1.900     1.900     4.100 peak   156 spectrum    1 weight  0.11000E+01 volume  0.32139E-01 ppm1      0.864 ppm2      0.748 CV     1
 OR {  156}
   (  segid "    " and resid 91   and name HG2%)
   (  segid "    " and resid 91   and name HD1%)
 ASSI {  157}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HA  ))
      2.700     2.700     3.300 peak   157 spectrum    1 weight  0.11000E+01 volume  0.42107E-02 ppm1      0.753 ppm2      3.667 CV     1
 OR {  157}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  160}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG12))
      2.100     2.100     3.900 peak   160 spectrum    1 weight  0.11000E+01 volume  0.10806E-01 ppm1      0.753 ppm2      1.179 CV     1
 OR {  160}
   (  segid "    " and resid 90   and name HD1%)
   (( segid "    " and resid 90   and name HG12))
 ASSI {  420}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 25   and name HB  ))
      3.500     1.500     1.500 peak   420 spectrum    1 weight  0.11000E+01 volume  0.18764E-02 ppm1      3.331 ppm2      1.851 CV     1
 OR {  420}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  462}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 18   and name HB1 ))
      2.400     0.700     0.700 peak   462 spectrum    1 weight  0.11000E+01 volume  0.55056E-02 ppm1      1.148 ppm2      3.132 CV     1
 OR {  462}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  701}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 26   and name HB2 ))
      2.300     2.300     3.700 peak   701 spectrum    1 weight  0.11000E+01 volume  0.24684E-02 ppm1      1.340 ppm2      1.851 CV     1
 OR {  701}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 29   and name HB  ))
 ASSI {  764}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      3.200     3.200     2.800 peak   764 spectrum    1 weight  0.11000E+01 volume  0.24121E-02 ppm1      3.978 ppm2      0.668 CV     1
 OR {  764}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 25   and name HG2%)
 ASSI { 1092}
   (( segid "    " and resid 25   and name HB  ))
   (( segid "    " and resid 26   and name HD1 ))
      2.400     0.700     0.700 peak  1092 spectrum    1 weight  0.11000E+01 volume  0.21886E-02 ppm1      1.857 ppm2      3.571 CV     1
 OR { 1092}
   (( segid "    " and resid 25   and name HB  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1202}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  1202 spectrum    1 weight  0.11000E+01 volume  0.95999E-03 ppm1      3.085 ppm2      2.783 CV     1
 OR { 1202}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1203}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak  1203 spectrum    1 weight  0.11000E+01 volume  0.77601E-03 ppm1      2.095 ppm2      2.781 CV     1
 OR { 1203}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1294}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 34   and name HG1 ))
      2.600     0.800     0.800 peak  1294 spectrum    1 weight  0.11000E+01 volume  0.23440E-02 ppm1      1.545 ppm2      2.474 CV     1
 OR { 1294}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 1335}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HD1 ))
      4.100     2.100     1.900 peak  1335 spectrum    1 weight  0.11000E+01 volume  0.76393E-03 ppm1      0.636 ppm2      3.124 CV     1
 OR { 1335}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 1459}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      3.200     1.300     1.300 peak  1459 spectrum    1 weight  0.11000E+01 volume  0.18041E-02 ppm1      4.606 ppm2      0.870 CV     1
 OR { 1459}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 13   and name HD2%)
 ASSI { 1471}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HD1 ))
      4.600     4.600     1.400 peak  1471 spectrum    1 weight  0.11000E+01 volume  0.55034E-03 ppm1     -0.007 ppm2      3.123 CV     1
 OR { 1471}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 1557}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.500     1.500     1.500 peak  1557 spectrum    1 weight  0.11000E+01 volume  0.11411E-02 ppm1      1.104 ppm2      2.779 CV     1
 OR { 1557}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2004}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      4.600     2.600     1.400 peak  2004 spectrum    1 weight  0.11000E+01 volume  0.36222E-03 ppm1      0.951 ppm2      3.918 CV     1
 OR { 2004}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2131}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      3.900     3.900     2.100 peak  2131 spectrum    1 weight  0.11000E+01 volume  0.11933E-02 ppm1      0.878 ppm2      3.922 CV     1
 OR { 2131}
   (  segid "    " and resid 13   and name HD2%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {   63}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak    63 spectrum    2 weight  0.11000E+01 volume  0.16765E-02 ppm1      3.050 ppm2      8.546 CV     1
 OR {   63}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {   64}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.900     0.900 peak    64 spectrum    2 weight  0.11000E+01 volume  0.30873E-02 ppm1      2.608 ppm2      8.542 CV     1
 OR {   64}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {   65}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
      2.300     0.600     0.600 peak    65 spectrum    2 weight  0.11000E+01 volume  0.79164E-02 ppm1      2.024 ppm2      8.550 CV     1
 OR {   65}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI {    6}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 17   and name HE3 ))
      3.900     1.900     1.900 peak     6 spectrum    3 weight  0.11000E+01 volume  0.55944E-03 ppm1      8.716 ppm2      7.325 CV     1
 OR {    6}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {   15}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.600     0.900     0.900 peak    15 spectrum    3 weight  0.11000E+01 volume  0.24120E-02 ppm1      8.718 ppm2      2.951 CV     1
 OR {   15}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {   66}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak    66 spectrum    3 weight  0.11000E+01 volume  0.23734E-02 ppm1      8.535 ppm2      4.416 CV     1
 OR {   66}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  130}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.000     1.000 peak   130 spectrum    3 weight  0.11000E+01 volume  0.24773E-02 ppm1      8.019 ppm2      3.685 CV     1
 OR {  130}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  132}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB  ))
      2.400     2.400     3.600 peak   132 spectrum    3 weight  0.11000E+01 volume  0.58715E-02 ppm1      8.022 ppm2      2.018 CV     1
 OR {  132}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
 ASSI {  136}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG12))
      3.500     1.500     1.500 peak   136 spectrum    3 weight  0.11000E+01 volume  0.19613E-02 ppm1      8.018 ppm2      1.218 CV     1
 OR {  136}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HG12))
 ASSI {  137}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.300     1.300     1.300 peak   137 spectrum    3 weight  0.11000E+01 volume  0.27615E-02 ppm1      8.020 ppm2      0.818 CV     1
 OR {  137}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
 ASSI {  152}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      1.800     0.400     0.400 peak   152 spectrum    3 weight  0.11000E+01 volume  0.39336E-01 ppm1      8.118 ppm2      8.109 CV     1
 OR {  152}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI {  158}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.500     2.500     3.500 peak   158 spectrum    3 weight  0.11000E+01 volume  0.67416E-02 ppm1      8.117 ppm2      4.177 CV     1
 OR {  158}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI {  164}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.200     3.200     2.800 peak   164 spectrum    3 weight  0.11000E+01 volume  0.17347E-02 ppm1      8.002 ppm2      3.703 CV     1
 OR {  164}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  235}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      2.700     2.700     3.300 peak   235 spectrum    3 weight  0.11000E+01 volume  0.36894E-02 ppm1      8.211 ppm2      8.047 CV     1
 OR {  235}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
 ASSI {  377}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      4.300     2.400     1.700 peak   377 spectrum    3 weight  0.11000E+01 volume  0.92807E-03 ppm1      7.168 ppm2      3.599 CV     1
 OR {  377}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  394}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.700     2.700     3.300 peak   394 spectrum    3 weight  0.11000E+01 volume  0.41630E-02 ppm1      7.549 ppm2      2.417 CV     1
 OR {  394}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  416}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.600     2.600     3.400 peak   416 spectrum    3 weight  0.11000E+01 volume  0.40742E-02 ppm1      7.707 ppm2      4.264 CV     1
 OR {  416}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  463}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.800     0.900     0.900 peak   463 spectrum    3 weight  0.11000E+01 volume  0.31305E-02 ppm1      8.237 ppm2      4.353 CV     1
 OR {  463}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  472}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HE21))
      3.700     1.700     1.700 peak   472 spectrum    3 weight  0.11000E+01 volume  0.67278E-03 ppm1      8.866 ppm2      7.353 CV     1
 OR {  472}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  475}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak   475 spectrum    3 weight  0.11000E+01 volume  0.30094E-02 ppm1      8.868 ppm2      4.355 CV     1
 OR {  475}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI {  478}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HD2 ))
      3.400     1.500     1.500 peak   478 spectrum    3 weight  0.11000E+01 volume  0.96510E-03 ppm1      8.868 ppm2      3.779 CV     1
 OR {  478}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  492}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.200     1.200 peak   492 spectrum    3 weight  0.11000E+01 volume  0.27982E-02 ppm1      7.809 ppm2      4.036 CV     1
 OR {  492}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  531}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   531 spectrum    3 weight  0.11000E+01 volume  0.91460E-02 ppm1      8.181 ppm2      4.279 CV     1
 OR {  531}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  560}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     2.700     3.300 peak   560 spectrum    3 weight  0.11000E+01 volume  0.39343E-02 ppm1      7.692 ppm2      4.035 CV     1
 OR {  560}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  564}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.500     1.500     1.500 peak   564 spectrum    3 weight  0.11000E+01 volume  0.22280E-02 ppm1      7.693 ppm2      1.372 CV     1
 OR {  564}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  568}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.000     1.100     1.100 peak   568 spectrum    3 weight  0.11000E+01 volume  0.15011E-02 ppm1      7.694 ppm2      1.587 CV     1
 OR {  568}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  573}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     3.000     3.000 peak   573 spectrum    3 weight  0.11000E+01 volume  0.15870E-02 ppm1      8.102 ppm2      4.439 CV     1
 OR {  573}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  589}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.400     0.700     0.700 peak   589 spectrum    3 weight  0.11000E+01 volume  0.73887E-02 ppm1      8.145 ppm2      2.049 CV     1
 OR {  589}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HG2 ))
 ASSI {  599}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   599 spectrum    3 weight  0.11000E+01 volume  0.33428E-02 ppm1      7.796 ppm2      4.311 CV     1
 OR {  599}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  614}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.900     1.100     1.100 peak   614 spectrum    3 weight  0.11000E+01 volume  0.20115E-02 ppm1      8.871 ppm2      3.279 CV     1
 OR {  614}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 OR {  614}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  667}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.600     1.600     1.600 peak   667 spectrum    3 weight  0.11000E+01 volume  0.95041E-03 ppm1      7.261 ppm2      3.731 CV     1
 OR {  667}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  669}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak   669 spectrum    3 weight  0.11000E+01 volume  0.57283E-02 ppm1      7.263 ppm2      1.817 CV     1
 OR {  669}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI {  670}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      3.700     3.700     2.300 peak   670 spectrum    3 weight  0.11000E+01 volume  0.15094E-02 ppm1      7.261 ppm2      1.470 CV     1
 OR {  670}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  754}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     1.000     1.000 peak   754 spectrum    3 weight  0.11000E+01 volume  0.19601E-02 ppm1      8.429 ppm2      8.225 CV     1
 OR {  754}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  755}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.000     4.000     2.000 peak   755 spectrum    3 weight  0.11000E+01 volume  0.57137E-03 ppm1      8.431 ppm2      7.565 CV     1
 OR {  755}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  772}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.500     1.500 peak   772 spectrum    3 weight  0.11000E+01 volume  0.13531E-02 ppm1      8.545 ppm2      3.915 CV     1
 OR {  772}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA1 ))
 ASSI {  845}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak   845 spectrum    3 weight  0.11000E+01 volume  0.25920E-02 ppm1      8.389 ppm2      8.539 CV     1
 OR {  845}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  915}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.800     2.800     3.200 peak   915 spectrum    3 weight  0.11000E+01 volume  0.18849E-02 ppm1      8.827 ppm2      8.529 CV     1
 OR {  915}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI {  921}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      4.000     4.000     2.000 peak   921 spectrum    3 weight  0.11000E+01 volume  0.13349E-02 ppm1      8.823 ppm2      1.400 CV     1
 OR {  921}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HG1%)
 ASSI {  959}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     3.300     2.700 peak   959 spectrum    3 weight  0.11000E+01 volume  0.15961E-02 ppm1      8.027 ppm2      3.599 CV     1
 OR {  959}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB  ))
 ASSI {  972}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.500     1.500     1.500 peak   972 spectrum    3 weight  0.11000E+01 volume  0.10908E-02 ppm1      8.486 ppm2      4.203 CV     1
 OR {  972}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  994}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.600     1.600     1.600 peak   994 spectrum    3 weight  0.11000E+01 volume  0.76382E-03 ppm1      8.856 ppm2      4.439 CV     1
 OR {  994}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1009}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.500     0.800     0.800 peak  1009 spectrum    3 weight  0.11000E+01 volume  0.66088E-02 ppm1      8.139 ppm2      4.236 CV     1
 OR { 1009}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 1065}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak  1065 spectrum    3 weight  0.11000E+01 volume  0.16489E-02 ppm1      8.253 ppm2      4.129 CV     1
 OR { 1065}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI { 1097}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1097 spectrum    3 weight  0.11000E+01 volume  0.17974E-02 ppm1      8.113 ppm2      3.599 CV     1
 OR { 1097}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
 ASSI { 1167}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.800     0.800 peak  1167 spectrum    3 weight  0.11000E+01 volume  0.54295E-02 ppm1      7.629 ppm2      1.861 CV     1
 OR { 1167}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB  ))
 ASSI { 1242}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.700     0.900     0.900 peak  1242 spectrum    3 weight  0.11000E+01 volume  0.41189E-02 ppm1      7.775 ppm2      4.208 CV     1
 OR { 1242}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 1265}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak  1265 spectrum    3 weight  0.11000E+01 volume  0.31407E-02 ppm1      8.215 ppm2      7.627 CV     1
 OR { 1265}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 1298}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     3.100     2.900 peak  1298 spectrum    3 weight  0.11000E+01 volume  0.20768E-02 ppm1      8.156 ppm2      4.153 CV     1
 OR { 1298}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 1307}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.500     2.500     3.500 peak  1307 spectrum    3 weight  0.11000E+01 volume  0.61993E-02 ppm1      8.086 ppm2      4.153 CV     1
 OR { 1307}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI {   16}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 65   and name HG2 ))
      3.200     1.300     1.300 peak    16 spectrum    4 weight  0.11000E+01 volume  0.22283E-02 ppm1      6.981 ppm2      1.749 CV     1
 OR {   16}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 68   and name HD2 ))
 OR {   16}
   (( segid "    " and resid 17   and name HZ2 ))
   (( segid "    " and resid 65   and name HB2 ))
 ASSI {   87}
   (  segid "    " and resid 24   and name HD% )
   (  segid "    " and resid 28   and name HD2%)
      2.600     2.600     3.400 peak    87 spectrum    4 weight  0.11000E+01 volume  0.50349E-02 ppm1      7.010 ppm2      0.984 CV     1
 OR {   87}
   (  segid "    " and resid 24   and name HD% )
   (  segid "    " and resid 79   and name HG2%)
 ASSI {  146}
   (  segid "    " and resid 82   and name HD% )
   (( segid "    " and resid 50   and name HG11))
      3.700     1.700     1.700 peak   146 spectrum    4 weight  0.11000E+01 volume  0.63108E-03 ppm1      7.084 ppm2      1.179 CV     1
 OR {  146}
   (  segid "    " and resid 82   and name HD% )
   (( segid "    " and resid 54   and name HG  ))
 ASSI {  218}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.400     1.400     1.400 peak   218 spectrum    5 weight  0.11000E+01 volume  0.98308E-03 ppm1      2.801 ppm2      0.197 CV     1
 OR {  218}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  327}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      4.000     2.000     2.000 peak   327 spectrum    5 weight  0.11000E+01 volume  0.79869E-03 ppm1      5.204 ppm2      3.585 CV     1
 OR {  327}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HD1 ))
 ASSI {  335}
   (( segid "    " and resid 25   and name HB  ))
   (  segid "    " and resid 25   and name HG2%)
      2.200     0.600     0.600 peak   335 spectrum    5 weight  0.11000E+01 volume  0.72372E-02 ppm1      1.877 ppm2      0.694 CV     1
 OR {  335}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI {  338}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.300     3.300     2.700 peak   338 spectrum    5 weight  0.11000E+01 volume  0.20588E-02 ppm1      1.876 ppm2      3.347 CV     1
 OR {  338}
   (( segid "    " and resid 25   and name HB  ))
   (( segid "    " and resid 26   and name HD2 ))
 ASSI {  414}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 20   and name HD% )
      4.300     2.300     1.700 peak   414 spectrum    5 weight  0.11000E+01 volume  0.27728E-03 ppm1      4.785 ppm2      6.632 CV     1
 OR {  414}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 24   and name HE% )
 ASSI {  432}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.600     2.600     3.400 peak   432 spectrum    5 weight  0.11000E+01 volume  0.31373E-02 ppm1      3.936 ppm2      2.184 CV     1
 OR {  432}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  500}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD% )
      2.800     2.800     3.200 peak   500 spectrum    5 weight  0.11000E+01 volume  0.19241E-02 ppm1      3.325 ppm2      7.134 CV     1
 OR {  500}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HD2 ))
 ASSI {  511}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.300     0.700     0.700 peak   511 spectrum    5 weight  0.11000E+01 volume  0.11947E-01 ppm1      4.394 ppm2      2.835 CV     1
 OR {  511}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
 ASSI {  531}
   (( segid "    " and resid 87   and name HB1 ))
   (  segid "    " and resid 38   and name HE% )
      3.900     1.900     1.900 peak   531 spectrum    5 weight  0.11000E+01 volume  0.56085E-03 ppm1      2.155 ppm2      7.175 CV     1
 OR {  531}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 38   and name HE% )
 ASSI {  532}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 38   and name HD% )
      4.100     2.100     1.900 peak   532 spectrum    5 weight  0.11000E+01 volume  0.48291E-03 ppm1      2.157 ppm2      7.126 CV     1
 OR {  532}
   (( segid "    " and resid 87   and name HB1 ))
   (  segid "    " and resid 38   and name HD% )
 ASSI {  553}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
      4.100     2.100     1.900 peak   553 spectrum    5 weight  0.11000E+01 volume  0.87190E-03 ppm1      4.292 ppm2      6.873 CV     1
 OR {  553}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 20   and name HE% )
 ASSI {  728}
   (( segid "    " and resid 43   and name HG12))
   (  segid "    " and resid 38   and name HE% )
      3.700     1.700     1.700 peak   728 spectrum    5 weight  0.11000E+01 volume  0.79962E-03 ppm1      1.201 ppm2      7.177 CV     1
 OR {  728}
   (( segid "    " and resid 90   and name HG12))
   (  segid "    " and resid 38   and name HE% )
 ASSI {  730}
   (( segid "    " and resid 90   and name HG12))
   (( segid "    " and resid 38   and name HZ  ))
      3.700     1.700     1.700 peak   730 spectrum    5 weight  0.11000E+01 volume  0.88551E-03 ppm1      1.202 ppm2      7.090 CV     1
 OR {  730}
   (( segid "    " and resid 43   and name HG12))
   (( segid "    " and resid 38   and name HZ  ))
 ASSI { 1061}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 38   and name HD% )
      2.700     0.900     0.900 peak  1061 spectrum    5 weight  0.11000E+01 volume  0.19634E-02 ppm1      3.046 ppm2      7.125 CV     1
 OR { 1061}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 38   and name HD% )
 ASSI { 1062}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 38   and name HE% )
      3.800     1.800     1.800 peak  1062 spectrum    5 weight  0.11000E+01 volume  0.38444E-03 ppm1      3.049 ppm2      7.174 CV     1
 OR { 1062}
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 38   and name HE% )
 ASSI { 1285}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 38   and name HE% )
      3.200     1.300     1.300 peak  1285 spectrum    5 weight  0.11000E+01 volume  0.13018E-02 ppm1      1.898 ppm2      7.178 CV     1
 OR { 1285}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 17   and name HD1 ))
! using 1.5 times the talos error! 

!    9 Q 	TALOS PHI = -59.00 +/-  4.00  
ASSIGN (resid    8 and name C ) (resid    9 and name N )
       (resid    9 and name CA) (resid    9 and name C )  1.00  -59.00   6.00   2

!   10 S 	TALOS PHI = -67.00 +/-  6.00  
ASSIGN (resid    9 and name C ) (resid   10 and name N )
       (resid   10 and name CA) (resid   10 and name C )  1.00  -67.00   9.00   2

!   11 Q 	TALOS PHI = -68.00 +/-  6.00  
ASSIGN (resid   10 and name C ) (resid   11 and name N )
       (resid   11 and name CA) (resid   11 and name C )  1.00  -68.00   9.00   2

!   12 R 	TALOS PHI = -67.00 +/-  4.00  
ASSIGN (resid   11 and name C ) (resid   12 and name N )
       (resid   12 and name CA) (resid   12 and name C )  1.00  -67.00   6.00   2

!   13 L 	TALOS PHI = -65.00 +/-  6.00  
ASSIGN (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -65.00   9.00   2

!   14 E 	TALOS PHI = -66.00 +/-  2.00  
ASSIGN (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -66.00   3.00   2

!   15 H 	TALOS PHI = -64.00 +/-  5.00  
ASSIGN (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -64.00   7.50   2

!   16 N 	TALOS PHI = -67.00 +/-  7.00  
ASSIGN (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )  1.00  -67.00   10.50   2

!   17 W 	TALOS PHI = -66.00 +/-  7.00  
ASSIGN (resid   16 and name C ) (resid   17 and name N )
       (resid   17 and name CA) (resid   17 and name C )  1.00  -66.00   10.50   2

!   18 N 	TALOS PHI = -60.00 +/-  5.00  
ASSIGN (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.00  -60.00   7.50   2

!   19 K 	TALOS PHI = -67.00 +/-  6.00  
ASSIGN (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )  1.00  -67.00   9.00   2

!   20 F 	TALOS PHI = -67.00 +/-  3.00  
ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -67.00   8.00   2

!   21 F 	TALOS PHI = -64.00 +/-  3.00  
ASSIGN (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.00  -64.00   8.00   2

!   22 A 	TALOS PHI = -63.00 +/-  6.00  
ASSIGN (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.00  -63.00  12.00   2

!   23 S 	TALOS PHI = -72.00 +/- 12.00  
ASSIGN (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -72.00   18.00   2

!   24 F 	TALOS PHI = -92.00 +/- 12.00  
ASSIGN (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -92.00   18.00   2

!   25 V 	TALOS PHI = -57.00 +/- 13.00  
ASSIGN (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -57.00   19.50   2

!   26 P 	TALOS PHI = -58.00 +/-  6.00  
ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -58.00  12.00   2

!   27 N 	TALOS PHI = -63.00 +/-  6.00  
ASSIGN (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -63.00  12.00   2

!   28 L 	TALOS PHI = -65.00 +/-  4.00  
ASSIGN (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -65.00   8.00   2

!   29 I 	TALOS PHI = -64.00 +/-  5.00  
ASSIGN (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -64.00   13.00  2

!   30 K 	TALOS PHI = -61.00 +/-  6.00  
ASSIGN (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.00  -61.00   15.00   2

!   32 N 	TALOS PHI = -109.00 +/- 23.00  
ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -109.00   34.50   2

!   33 P 	TALOS PHI = -57.00 +/-  5.00  
ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -57.00   7.50   2

!   34 Q 	TALOS PHI = -69.00 +/- 11.00  
ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -69.00   16.50   2

!   35 S 	TALOS PHI = -62.00 +/-  6.00  
ASSIGN (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -62.00   9.00   2

!   36 K 	TALOS PHI = -65.00 +/-  6.00  
ASSIGN (resid   35 and name C ) (resid   36 and name N )
       (resid   36 and name CA) (resid   36 and name C )  1.00  -65.00   9.00   2

!   37 Q 	TALOS PHI = -82.00 +/- 17.00  
ASSIGN (resid   36 and name C ) (resid   37 and name N )
       (resid   37 and name CA) (resid   37 and name C )  1.00  -82.00   25.50   2

!   38 F 	TALOS PHI = -105.00 +/- 22.00  
ASSIGN (resid   37 and name C ) (resid   38 and name N )
       (resid   38 and name CA) (resid   38 and name C )  1.00  -105.00   33.00   2

!   39 D 	TALOS PHI = -82.00 +/- 15.00  
ASSIGN (resid   38 and name C ) (resid   39 and name N )
       (resid   39 and name CA) (resid   39 and name C )  1.00  -82.00   22.50   2

!   40 H 	TALOS PHI = -58.00 +/-  5.00  
ASSIGN (resid   39 and name C ) (resid   40 and name N )
       (resid   40 and name CA) (resid   40 and name C )  1.00  -58.00   12.00  2

!   41 E 	TALOS PHI = -67.00 +/-  4.00  
ASSIGN (resid   40 and name C ) (resid   41 and name N )
       (resid   41 and name CA) (resid   41 and name C )  1.00  -67.00   6.00   2

!   42 N 	TALOS PHI = -66.00 +/-  4.00  
ASSIGN (resid   41 and name C ) (resid   42 and name N )
       (resid   42 and name CA) (resid   42 and name C )  1.00  -66.00   6.00   2

!   43 I 	TALOS PHI = -64.00 +/-  4.00  
ASSIGN (resid   42 and name C ) (resid   43 and name N )
       (resid   43 and name CA) (resid   43 and name C )  1.00  -64.00   6.00   2

!   44 K 	TALOS PHI = -63.00 +/-  5.00  
ASSIGN (resid   43 and name C ) (resid   44 and name N )
       (resid   44 and name CA) (resid   44 and name C )  1.00  -63.00   7.50   2

!   45 Q 	TALOS PHI = -66.00 +/-  4.00  
ASSIGN (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -66.00   6.00   2

!   46 C 	TALOS PHI = -66.00 +/-  7.00  
ASSIGN (resid   45 and name C ) (resid   46 and name N )
       (resid   46 and name CA) (resid   46 and name C )  1.00  -66.00   10.50   2

!   47 A 	TALOS PHI = -62.00 +/-  5.00  
ASSIGN (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -62.00   7.50   2

!   48 K 	TALOS PHI = -64.00 +/-  4.00  
ASSIGN (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -64.00   6.00   2

!   49 D 	TALOS PHI = -69.00 +/-  7.00  
ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -69.00   10.50   2

!   50 I 	TALOS PHI = -65.00 +/-  4.00  
ASSIGN (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -65.00   6.00   2

!   51 V 	TALOS PHI = -66.00 +/-  5.00  
ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -66.00   7.50   2

!   52 K 	TALOS PHI = -64.00 +/-  7.00  
ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -64.00   10.50   2

!   53 I 	TALOS PHI = -67.00 +/-  7.00  
ASSIGN (resid   52 and name C ) (resid   53 and name N )
       (resid   53 and name CA) (resid   53 and name C )  1.00  -67.00   10.50   2

!   54 L 	TALOS PHI = -63.00 +/-  7.00  
ASSIGN (resid   53 and name C ) (resid   54 and name N )
       (resid   54 and name CA) (resid   54 and name C )  1.00  -63.00   10.50   2

!   55 T 	TALOS PHI = -65.00 +/-  5.00  
ASSIGN (resid   54 and name C ) (resid   55 and name N )
       (resid   55 and name CA) (resid   55 and name C )  1.00  -65.00   7.50   2

!   56 T 	TALOS PHI = -64.00 +/-  5.00  
ASSIGN (resid   55 and name C ) (resid   56 and name N )
       (resid   56 and name CA) (resid   56 and name C )  1.00  -64.00   7.50   2

!   57 K 	TALOS PHI = -63.00 +/-  5.00  
ASSIGN (resid   56 and name C ) (resid   57 and name N )
       (resid   57 and name CA) (resid   57 and name C )  1.00  -63.00   7.50   2

!   58 E 	TALOS PHI = -63.00 +/-  4.00  
ASSIGN (resid   57 and name C ) (resid   58 and name N )
       (resid   58 and name CA) (resid   58 and name C )  1.00  -63.00   6.00   2

!   59 L 	TALOS PHI = -68.00 +/-  7.00  
ASSIGN (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -68.00   10.50   2

!   61 K 	TALOS PHI = -66.00 +/-  7.00  
ASSIGN (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -66.00   10.50   2

!   63 S 	TALOS PHI = -70.00 +/- 11.00  
ASSIGN (resid   62 and name C ) (resid   63 and name N )
       (resid   63 and name CA) (resid   63 and name C )  1.00  -70.00   16.50   2

!   66 A 	TALOS PHI = -75.00 +/- 11.00  
ASSIGN (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.00  -75.00   16.50   2

!   68 P 	TALOS PHI = -61.00 +/-  6.00  
ASSIGN (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.00  -61.00   9.00   2

!   70 D 	TALOS PHI = -117.00 +/- 25.00  
ASSIGN (resid   69 and name C ) (resid   70 and name N )
       (resid   70 and name CA) (resid   70 and name C )  1.00  -117.00   25.00   2

!   71 L 	TALOS PHI = -99.00 +/- 22.00  
ASSIGN (resid   70 and name C ) (resid   71 and name N )
       (resid   71 and name CA) (resid   71 and name C )  1.00  -99.00   33.00   2

!   72 T 	TALOS PHI = -83.00 +/-  9.00  
ASSIGN (resid   71 and name C ) (resid   72 and name N )
       (resid   72 and name CA) (resid   72 and name C )  1.00  -83.00   13.50   2

!   73 K 	TALOS PHI = -62.00 +/- 11.00  
ASSIGN (resid   72 and name C ) (resid   73 and name N )
       (resid   73 and name CA) (resid   73 and name C )  1.00  -62.00   16.50   2

!   74 G 	TALOS PHI = -68.00 +/-  9.00  
ASSIGN (resid   73 and name C ) (resid   74 and name N )
       (resid   74 and name CA) (resid   74 and name C )  1.00  -68.00   13.50   2

!   75 K 	TALOS PHI = -67.00 +/- 16.00  
ASSIGN (resid   74 and name C ) (resid   75 and name N )
       (resid   75 and name CA) (resid   75 and name C )  1.00  -67.00   24.00   2

!   76 R 	TALOS PHI = -61.00 +/-  3.00  
ASSIGN (resid   75 and name C ) (resid   76 and name N )
       (resid   76 and name CA) (resid   76 and name C )  1.00  -61.00   4.50   2

!   77 H 	TALOS PHI = -65.00 +/-  5.00  
ASSIGN (resid   76 and name C ) (resid   77 and name N )
       (resid   77 and name CA) (resid   77 and name C )  1.00  -65.00   7.50   2

!   78 K 	TALOS PHI = -64.00 +/-  3.00  
ASSIGN (resid   77 and name C ) (resid   78 and name N )
       (resid   78 and name CA) (resid   78 and name C )  1.00  -64.00   4.50   2

!   79 V 	TALOS PHI = -68.00 +/-  8.00  
ASSIGN (resid   78 and name C ) (resid   79 and name N )
       (resid   79 and name CA) (resid   79 and name C )  1.00  -68.00   12.00   2

!   80 K 	TALOS PHI = -62.00 +/-  5.00  
ASSIGN (resid   79 and name C ) (resid   80 and name N )
       (resid   80 and name CA) (resid   80 and name C )  1.00  -62.00   7.50   2

!   81 E 	TALOS PHI = -64.00 +/-  4.00  
ASSIGN (resid   80 and name C ) (resid   81 and name N )
       (resid   81 and name CA) (resid   81 and name C )  1.00  -64.00   6.00   2

!   82 F 	TALOS PHI = -67.00 +/-  8.00  
ASSIGN (resid   81 and name C ) (resid   82 and name N )
       (resid   82 and name CA) (resid   82 and name C )  1.00  -67.00   12.00   2

!   83 I 	TALOS PHI = -65.00 +/-  4.00  
ASSIGN (resid   82 and name C ) (resid   83 and name N )
       (resid   83 and name CA) (resid   83 and name C )  1.00  -65.00   6.00   2

!   84 N 	TALOS PHI = -58.00 +/-  4.00  
ASSIGN (resid   83 and name C ) (resid   84 and name N )
       (resid   84 and name CA) (resid   84 and name C )  1.00  -58.00   6.00   2

!   85 S 	TALOS PHI = -65.00 +/-  4.00  
ASSIGN (resid   84 and name C ) (resid   85 and name N )
       (resid   85 and name CA) (resid   85 and name C )  1.00  -65.00   6.00   2

!   86 Y 	TALOS PHI = -61.00 +/-  8.00  
ASSIGN (resid   85 and name C ) (resid   86 and name N )
       (resid   86 and name CA) (resid   86 and name C )  1.00  -61.00   12.00   2

!   87 M 	TALOS PHI = -63.00 +/-  4.00  
ASSIGN (resid   86 and name C ) (resid   87 and name N )
       (resid   87 and name CA) (resid   87 and name C )  1.00  -63.00   6.00   2

!   88 D 	TALOS PHI = -63.00 +/-  5.00  
ASSIGN (resid   87 and name C ) (resid   88 and name N )
       (resid   88 and name CA) (resid   88 and name C )  1.00  -63.00   7.50   2

!   89 K 	TALOS PHI = -68.00 +/-  6.00  
ASSIGN (resid   88 and name C ) (resid   89 and name N )
       (resid   89 and name CA) (resid   89 and name C )  1.00  -68.00   9.00   2

!   90 I 	TALOS PHI = -66.00 +/- 10.00  
ASSIGN (resid   89 and name C ) (resid   90 and name N )
       (resid   90 and name CA) (resid   90 and name C )  1.00  -66.00   15.00   2

!   91 I 	TALOS PHI = -65.00 +/-  5.00  
ASSIGN (resid   90 and name C ) (resid   91 and name N )
       (resid   91 and name CA) (resid   91 and name C )  1.00  -65.00   7.50   2

!   92 L 	TALOS PHI = -66.00 +/-  7.00  
ASSIGN (resid   91 and name C ) (resid   92 and name N )
       (resid   92 and name CA) (resid   92 and name C )  1.00  -66.00   10.50   2

!   93 K 	TALOS PHI = -64.00 +/-  4.00  
ASSIGN (resid   92 and name C ) (resid   93 and name N )
       (resid   93 and name CA) (resid   93 and name C )  1.00  -64.00   6.00   2

!   94 K 	TALOS PHI = -65.00 +/-  7.00  
ASSIGN (resid   93 and name C ) (resid   94 and name N )
       (resid   94 and name CA) (resid   94 and name C )  1.00  -65.00   10.50   2

!   95 K 	TALOS PHI = -67.00 +/- 11.00  
ASSIGN (resid   94 and name C ) (resid   95 and name N )
       (resid   95 and name CA) (resid   95 and name C )  1.00  -67.00   16.50   2

!   96 Q 	TALOS PHI = -68.00 +/- 12.00  
ASSIGN (resid   95 and name C ) (resid   96 and name N )
       (resid   96 and name CA) (resid   96 and name C )  1.00  -68.00   18.00   2

!   97 K 	TALOS PHI = -66.00 +/- 14.00  
ASSIGN (resid   96 and name C ) (resid   97 and name N )
       (resid   97 and name CA) (resid   97 and name C )  1.00  -66.00   21.00   2

!   99 A 	TALOS PHI = -67.00 +/- 12.00  
ASSIGN (resid   98 and name C ) (resid   99 and name N )
       (resid   99 and name CA) (resid   99 and name C )  1.00  -67.00   18.00   2

! using 1.5 times the talos error! 

!    9 Q 	TALOS PSI = -41.00 +/-  7.00  
ASSIGN (resid    9 and name N ) (resid    9 and name CA )
       (resid    9 and name C) (resid   10 and name N )  1.00  -41.00   10.50   2

!   10 S 	TALOS PSI = -38.00 +/-  6.00  
ASSIGN (resid   10 and name N ) (resid   10 and name CA )
       (resid   10 and name C) (resid   11 and name N )  1.00  -38.00   9.00   2

!   11 Q 	TALOS PSI = -42.00 +/-  9.00  
ASSIGN (resid   11 and name N ) (resid   11 and name CA )
       (resid   11 and name C) (resid   12 and name N )  1.00  -42.00   13.50   2

!   12 R 	TALOS PSI = -38.00 +/- 10.00  
ASSIGN (resid   12 and name N ) (resid   12 and name CA )
       (resid   12 and name C) (resid   13 and name N )  1.00  -38.00   15.00   2

!   13 L 	TALOS PSI = -38.00 +/- 10.00  
ASSIGN (resid   13 and name N ) (resid   13 and name CA )
       (resid   13 and name C) (resid   14 and name N )  1.00  -38.00   15.00   2

!   14 E 	TALOS PSI = -41.00 +/-  5.00  
ASSIGN (resid   14 and name N ) (resid   14 and name CA )
       (resid   14 and name C) (resid   15 and name N )  1.00  -41.00   7.50   2

!   15 H 	TALOS PSI = -44.00 +/-  6.00  
ASSIGN (resid   15 and name N ) (resid   15 and name CA )
       (resid   15 and name C) (resid   16 and name N )  1.00  -44.00   9.00   2

!   16 N 	TALOS PSI = -34.00 +/-  6.00  
ASSIGN (resid   16 and name N ) (resid   16 and name CA )
       (resid   16 and name C) (resid   17 and name N )  1.00  -34.00   9.00   2

!   17 W 	TALOS PSI = -44.00 +/-  5.00  
ASSIGN (resid   17 and name N ) (resid   17 and name CA )
       (resid   17 and name C) (resid   18 and name N )  1.00  -44.00   7.50   2

!   18 N 	TALOS PSI = -43.00 +/-  4.00  
ASSIGN (resid   18 and name N ) (resid   18 and name CA )
       (resid   18 and name C) (resid   19 and name N )  1.00  -43.00   6.00   2

!   19 K 	TALOS PSI = -39.00 +/-  5.00  
ASSIGN (resid   19 and name N ) (resid   19 and name CA )
       (resid   19 and name C) (resid   20 and name N )  1.00  -39.00   7.50   2

!   20 F 	TALOS PSI = -44.00 +/-  5.00  
ASSIGN (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.00  -44.00  12.00   2

!   21 F 	TALOS PSI = -39.00 +/-  6.00  
ASSIGN (resid   21 and name N ) (resid   21 and name CA )
       (resid   21 and name C) (resid   22 and name N )  1.00  -39.00  15.00   2

!   22 A 	TALOS PSI = -40.00 +/-  8.00  
ASSIGN (resid   22 and name N ) (resid   22 and name CA )
       (resid   22 and name C) (resid   23 and name N )  1.00  -40.00   16.00   2

!   23 S 	TALOS PSI = -34.00 +/- 15.00  
ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name C) (resid   24 and name N )  1.00  -34.00   22.50   2

!   24 F 	TALOS PSI = -15.00 +/- 15.00  
ASSIGN (resid   24 and name N ) (resid   24 and name CA )
       (resid   24 and name C) (resid   25 and name N )  1.00  -15.00   22.50   2

!   25 V 	TALOS PSI = -44.00 +/-  6.00  
ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name C) (resid   26 and name N )  1.00  -44.00   9.00   2

!   26 P 	TALOS PSI = -37.00 +/-  8.00  
ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00  -37.00   16.00   2

!   27 N 	TALOS PSI = -40.00 +/-  8.00  
ASSIGN (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.00  -40.00   16.00   2

!   28 L 	TALOS PSI = -42.00 +/-  7.00  
ASSIGN (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.00  -42.00   14.00   2

!   29 I 	TALOS PSI = -44.00 +/-  4.00  
ASSIGN (resid   29 and name N ) (resid   29 and name CA )
       (resid   29 and name C) (resid   30 and name N )  1.00  -44.00   16.00   2

!   30 K 	TALOS PSI = -44.00 +/-  9.00  
ASSIGN (resid   30 and name N ) (resid   30 and name CA )
       (resid   30 and name C) (resid   31 and name N )  1.00  -44.00   18.00   2

!   32 N 	TALOS PSI = 130.00 +/- 28.00  
ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00   130.00   42.00   2

!   33 P 	TALOS PSI = -31.00 +/- 12.00  
ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00  -31.00   18.00   2

!   34 Q 	TALOS PSI = -32.00 +/- 17.00  
ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00  -32.00   25.50   2

!   35 S 	TALOS PSI = -45.00 +/-  9.00  
ASSIGN (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name C) (resid   36 and name N )  1.00  -45.00   13.50   2

!   36 K 	TALOS PSI = -27.00 +/- 11.00  
ASSIGN (resid   36 and name N ) (resid   36 and name CA )
       (resid   36 and name C) (resid   37 and name N )  1.00  -27.00   16.50   2

!   37 Q 	TALOS PSI = -17.00 +/- 20.00  
ASSIGN (resid   37 and name N ) (resid   37 and name CA )
       (resid   37 and name C) (resid   38 and name N )  1.00  -17.00   30.00   2

!   38 F 	TALOS PSI = 134.00 +/- 26.00  
ASSIGN (resid   38 and name N ) (resid   38 and name CA )
       (resid   38 and name C) (resid   39 and name N )  1.00   134.00   39.00   2

!   39 D 	TALOS PSI = 161.00 +/- 19.00  
ASSIGN (resid   39 and name N ) (resid   39 and name CA )
       (resid   39 and name C) (resid   40 and name N )  1.00   161.00   25.00   2

!   40 H 	TALOS PSI = -36.00 +/-  6.00  
ASSIGN (resid   40 and name N ) (resid   40 and name CA )
       (resid   40 and name C) (resid   41 and name N )  1.00  -36.00   12.00  2

!   41 E 	TALOS PSI = -42.00 +/-  4.00  
ASSIGN (resid   41 and name N ) (resid   41 and name CA )
       (resid   41 and name C) (resid   42 and name N )  1.00  -42.00   6.00   2

!   42 N 	TALOS PSI = -41.00 +/-  3.00  
ASSIGN (resid   42 and name N ) (resid   42 and name CA )
       (resid   42 and name C) (resid   43 and name N )  1.00  -41.00   4.50   2

!   43 I 	TALOS PSI = -44.00 +/-  5.00  
ASSIGN (resid   43 and name N ) (resid   43 and name CA )
       (resid   43 and name C) (resid   44 and name N )  1.00  -44.00   7.50   2

!   44 K 	TALOS PSI = -39.00 +/-  6.00  
ASSIGN (resid   44 and name N ) (resid   44 and name CA )
       (resid   44 and name C) (resid   45 and name N )  1.00  -39.00   9.00   2

!   45 Q 	TALOS PSI = -40.00 +/- 13.00  
ASSIGN (resid   45 and name N ) (resid   45 and name CA )
       (resid   45 and name C) (resid   46 and name N )  1.00  -40.00   19.50   2

!   46 C 	TALOS PSI = -43.00 +/-  7.00  
ASSIGN (resid   46 and name N ) (resid   46 and name CA )
       (resid   46 and name C) (resid   47 and name N )  1.00  -43.00   10.50   2

!   47 A 	TALOS PSI = -42.00 +/-  7.00  
ASSIGN (resid   47 and name N ) (resid   47 and name CA )
       (resid   47 and name C) (resid   48 and name N )  1.00  -42.00   10.50   2

!   48 K 	TALOS PSI = -44.00 +/-  5.00  
ASSIGN (resid   48 and name N ) (resid   48 and name CA )
       (resid   48 and name C) (resid   49 and name N )  1.00  -44.00   7.50   2

!   49 D 	TALOS PSI = -40.00 +/-  8.00  
ASSIGN (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name C) (resid   50 and name N )  1.00  -40.00   12.00   2

!   50 I 	TALOS PSI = -44.00 +/-  4.00  
ASSIGN (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name C) (resid   51 and name N )  1.00  -44.00   6.00   2

!   51 V 	TALOS PSI = -43.00 +/-  6.00  
ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00  -43.00   9.00   2

!   52 K 	TALOS PSI = -38.00 +/- 10.00  
ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00  -38.00   15.00   2

!   53 I 	TALOS PSI = -45.00 +/-  3.00  
ASSIGN (resid   53 and name N ) (resid   53 and name CA )
       (resid   53 and name C) (resid   54 and name N )  1.00  -45.00   4.50   2

!   54 L 	TALOS PSI = -41.00 +/-  8.00  
ASSIGN (resid   54 and name N ) (resid   54 and name CA )
       (resid   54 and name C) (resid   55 and name N )  1.00  -41.00   12.00   2

!   55 T 	TALOS PSI = -42.00 +/-  7.00  
ASSIGN (resid   55 and name N ) (resid   55 and name CA )
       (resid   55 and name C) (resid   56 and name N )  1.00  -42.00   10.50   2

!   56 T 	TALOS PSI = -43.00 +/-  5.00  
ASSIGN (resid   56 and name N ) (resid   56 and name CA )
       (resid   56 and name C) (resid   57 and name N )  1.00  -43.00   7.50   2

!   57 K 	TALOS PSI = -39.00 +/-  4.00  
ASSIGN (resid   57 and name N ) (resid   57 and name CA )
       (resid   57 and name C) (resid   58 and name N )  1.00  -39.00   6.00   2

!   58 E 	TALOS PSI = -35.00 +/- 11.00  
ASSIGN (resid   58 and name N ) (resid   58 and name CA )
       (resid   58 and name C) (resid   59 and name N )  1.00  -35.00   16.50   2

!   59 L 	TALOS PSI = -32.00 +/- 13.00  
ASSIGN (resid   59 and name N ) (resid   59 and name CA )
       (resid   59 and name C) (resid   60 and name N )  1.00  -32.00   19.50   2

!   61 K 	TALOS PSI = -35.00 +/- 12.00  
ASSIGN (resid   61 and name N ) (resid   61 and name CA )
       (resid   61 and name C) (resid   62 and name N )  1.00  -35.00   18.00   2

!   63 S 	TALOS PSI = -35.00 +/- 18.00  
ASSIGN (resid   63 and name N ) (resid   63 and name CA )
       (resid   63 and name C) (resid   64 and name N )  1.00  -35.00   27.00   2

!   66 A 	TALOS PSI = 140.00 +/- 18.00  
ASSIGN (resid   66 and name N ) (resid   66 and name CA )
       (resid   66 and name C) (resid   67 and name N )  1.00   140.00   27.00   2

!   68 P 	TALOS PSI = 150.00 +/- 12.00  
ASSIGN (resid   68 and name N ) (resid   68 and name CA )
       (resid   68 and name C) (resid   69 and name N )  1.00   150.00   18.00   2

!   70 D 	TALOS PSI = 139.00 +/- 40.00  
ASSIGN (resid   70 and name N ) (resid   70 and name CA )
       (resid   70 and name C) (resid   71 and name N )  1.00   139.00   40.00   2

!   71 L 	TALOS PSI = 119.00 +/- 15.00  
ASSIGN (resid   71 and name N ) (resid   71 and name CA )
       (resid   71 and name C) (resid   72 and name N )  1.00   119.00   22.50   2

!   72 T 	TALOS PSI = 164.00 +/- 11.00  
ASSIGN (resid   72 and name N ) (resid   72 and name CA )
       (resid   72 and name C) (resid   73 and name N )  1.00   164.00   16.50   2

!   73 K 	TALOS PSI = -39.00 +/-  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  -39.00   13.50   2

!   74 G 	TALOS PSI = -42.00 +/- 10.00  
ASSIGN (resid   74 and name N ) (resid   74 and name CA )
       (resid   74 and name C) (resid   75 and name N )  1.00  -42.00   15.00   2

!   75 K 	TALOS PSI = -36.00 +/- 18.00  
ASSIGN (resid   75 and name N ) (resid   75 and name CA )
       (resid   75 and name C) (resid   76 and name N )  1.00  -36.00   27.00   2

!   76 R 	TALOS PSI = -39.00 +/-  6.00  
ASSIGN (resid   76 and name N ) (resid   76 and name CA )
       (resid   76 and name C) (resid   77 and name N )  1.00  -39.00   9.00   2

!   77 H 	TALOS PSI = -41.00 +/- 11.00  
ASSIGN (resid   77 and name N ) (resid   77 and name CA )
       (resid   77 and name C) (resid   78 and name N )  1.00  -41.00   16.50   2

!   78 K 	TALOS PSI = -37.00 +/-  8.00  
ASSIGN (resid   78 and name N ) (resid   78 and name CA )
       (resid   78 and name C) (resid   79 and name N )  1.00  -37.00   12.00   2

!   79 V 	TALOS PSI = -41.00 +/-  7.00  
ASSIGN (resid   79 and name N ) (resid   79 and name CA )
       (resid   79 and name C) (resid   80 and name N )  1.00  -41.00   10.50   2

!   80 K 	TALOS PSI = -42.00 +/-  6.00  
ASSIGN (resid   80 and name N ) (resid   80 and name CA )
       (resid   80 and name C) (resid   81 and name N )  1.00  -42.00   9.00   2

!   81 E 	TALOS PSI = -39.00 +/-  4.00  
ASSIGN (resid   81 and name N ) (resid   81 and name CA )
       (resid   81 and name C) (resid   82 and name N )  1.00  -39.00   6.00   2

!   82 F 	TALOS PSI = -41.00 +/-  7.00  
ASSIGN (resid   82 and name N ) (resid   82 and name CA )
       (resid   82 and name C) (resid   83 and name N )  1.00  -41.00   10.50   2

!   83 I 	TALOS PSI = -45.00 +/-  5.00  
ASSIGN (resid   83 and name N ) (resid   83 and name CA )
       (resid   83 and name C) (resid   84 and name N )  1.00  -45.00   7.50   2

!   84 N 	TALOS PSI = -42.00 +/-  5.00  
ASSIGN (resid   84 and name N ) (resid   84 and name CA )
       (resid   84 and name C) (resid   85 and name N )  1.00  -42.00   7.50   2

!   85 S 	TALOS PSI = -42.00 +/-  5.00  
ASSIGN (resid   85 and name N ) (resid   85 and name CA )
       (resid   85 and name C) (resid   86 and name N )  1.00  -42.00   7.50   2

!   86 Y 	TALOS PSI = -44.00 +/-  3.00  
ASSIGN (resid   86 and name N ) (resid   86 and name CA )
       (resid   86 and name C) (resid   87 and name N )  1.00  -44.00   4.50   2

!   87 M 	TALOS PSI = -40.00 +/-  6.00  
ASSIGN (resid   87 and name N ) (resid   87 and name CA )
       (resid   87 and name C) (resid   88 and name N )  1.00  -40.00   9.00   2

!   88 D 	TALOS PSI = -45.00 +/-  6.00  
ASSIGN (resid   88 and name N ) (resid   88 and name CA )
       (resid   88 and name C) (resid   89 and name N )  1.00  -45.00   9.00   2

!   89 K 	TALOS PSI = -42.00 +/-  7.00  
ASSIGN (resid   89 and name N ) (resid   89 and name CA )
       (resid   89 and name C) (resid   90 and name N )  1.00  -42.00   10.50   2

!   90 I 	TALOS PSI = -44.00 +/-  5.00  
ASSIGN (resid   90 and name N ) (resid   90 and name CA )
       (resid   90 and name C) (resid   91 and name N )  1.00  -44.00   7.50   2

!   91 I 	TALOS PSI = -42.00 +/-  5.00  
ASSIGN (resid   91 and name N ) (resid   91 and name CA )
       (resid   91 and name C) (resid   92 and name N )  1.00  -42.00   7.50   2

!   92 L 	TALOS PSI = -41.00 +/-  8.00  
ASSIGN (resid   92 and name N ) (resid   92 and name CA )
       (resid   92 and name C) (resid   93 and name N )  1.00  -41.00   12.00   2

!   93 K 	TALOS PSI = -40.00 +/- 11.00  
ASSIGN (resid   93 and name N ) (resid   93 and name CA )
       (resid   93 and name C) (resid   94 and name N )  1.00  -40.00   16.50   2

!   94 K 	TALOS PSI = -40.00 +/-  8.00  
ASSIGN (resid   94 and name N ) (resid   94 and name CA )
       (resid   94 and name C) (resid   95 and name N )  1.00  -40.00   12.00   2

!   95 K 	TALOS PSI = -37.00 +/-  9.00  
ASSIGN (resid   95 and name N ) (resid   95 and name CA )
       (resid   95 and name C) (resid   96 and name N )  1.00  -37.00   13.50   2

!   96 Q 	TALOS PSI = -38.00 +/- 15.00  
ASSIGN (resid   96 and name N ) (resid   96 and name CA )
       (resid   96 and name C) (resid   97 and name N )  1.00  -38.00   22.50   2

!   97 K 	TALOS PSI = -37.00 +/- 11.00  
ASSIGN (resid   97 and name N ) (resid   97 and name CA )
       (resid   97 and name C) (resid   98 and name N )  1.00  -37.00   16.50   2

!   99 A 	TALOS PSI = -34.00 +/- 15.00  
ASSIGN (resid   99 and name N ) (resid   99 and name CA )
       (resid   99 and name C) (resid  100 and name N )  1.00  -34.00   22.50   2

assign ( residue   18 and name HN  ) ( residue   14  and name O )  1.80  0.00  0.50
assign ( residue   18 and name N  )  ( residue   14  and name O )  2.80  0.00  0.50

assign ( residue   19 and name HN  ) ( residue   15  and name O )  1.80  0.00  0.50
assign ( residue   19 and name N  )  ( residue   15  and name O )  2.80  0.00  0.50

assign ( residue   20 and name HN  ) ( residue   16  and name O )  1.80  0.00  0.50
assign ( residue   20 and name N  )  ( residue   16  and name O )  2.80  0.00  0.50

assign ( residue   21 and name HN  ) ( residue   17  and name O )  1.80  0.00  0.50
assign ( residue   21 and name N  )  ( residue   17  and name O )  2.80  0.00  0.50

assign ( residue   22 and name HN  ) ( residue   18  and name O )  1.80  0.00  0.50
assign ( residue   22 and name N  )  ( residue   18  and name O )  2.80  0.00  0.50

! changed, ms 20.10.
!assign ( residue   28 and name HN  ) ( residue   24  and name O )  1.80  0.00  1.00
!assign ( residue   28 and name N  )  ( residue   24  and name O )  2.80  0.00  1.00

! changed, ms 20.10.
!assign ( residue   29 and name HN  ) ( residue   25  and name O )  1.80  0.00  1.00
!assign ( residue   29 and name N  )  ( residue   25  and name O )  2.80  0.00  1.00

! changed, ms 20.10.
!assign ( residue   30 and name HN  ) ( residue   26  and name O )  1.80  0.00  1.00
!assign ( residue   30 and name N  )  ( residue   26  and name O )  2.80  0.00  1.00

assign ( residue   48 and name HN  ) ( residue   44  and name O )  1.80  0.00  0.50
assign ( residue   48 and name N  )  ( residue   44  and name O )  2.80  0.00  0.50

assign ( residue   50 and name HN  ) ( residue   46  and name O )  1.80  0.00  0.50
assign ( residue   50 and name N  )  ( residue   46  and name O )  2.80  0.00  0.50

assign ( residue   51 and name HN  ) ( residue   47  and name O )  1.80  0.00  0.50
assign ( residue   51 and name N  )  ( residue   47  and name O )  2.80  0.00  0.50

assign ( residue   52 and name HN  ) ( residue   48  and name O )  1.80  0.00  0.50
assign ( residue   52 and name N  )  ( residue   48  and name O )  2.80  0.00  0.50

assign ( residue   53 and name HN  ) ( residue   49  and name O )  1.80  0.00  0.50
assign ( residue   53 and name N  )  ( residue   49  and name O )  2.80  0.00  0.50

assign ( residue   56 and name HN  ) ( residue   52  and name O )  1.80  0.00  0.50
assign ( residue   56 and name N  )  ( residue   52  and name O )  2.80  0.00  0.50

assign ( residue   58 and name HN  ) ( residue   54  and name O )  1.80  0.00  0.50
assign ( residue   58 and name N  )  ( residue   54  and name O )  2.80  0.00  0.50

assign ( residue   59 and name HN  ) ( residue   55  and name O )  1.80  0.00  0.50
assign ( residue   59 and name N  )  ( residue   55  and name O )  2.80  0.00  0.50

assign ( residue   60 and name HN  ) ( residue   56  and name O )  1.80  0.00  0.50
assign ( residue   60 and name N  )  ( residue   56  and name O )  2.80  0.00  0.50

assign ( residue   80 and name HN  ) ( residue   76  and name O )  1.80  0.00  0.50
assign ( residue   80 and name N  )  ( residue   76  and name O )  2.80  0.00  0.50

assign ( residue   83 and name HN  ) ( residue   79  and name O )  1.80  0.00  0.50
assign ( residue   83 and name N  )  ( residue   79  and name O )  2.80  0.00  0.50

assign ( residue   86 and name HN  ) ( residue   82  and name O )  1.80  0.00  0.50
assign ( residue   86 and name N  )  ( residue   82  and name O )  2.80  0.00  0.50

assign ( residue   87 and name HN  ) ( residue   83  and name O )  1.80  0.00  0.50
assign ( residue   87 and name N  )  ( residue   83  and name O )  2.80  0.00  0.50

assign ( residue   88 and name HN  ) ( residue   84  and name O )  1.80  0.00  0.50
assign ( residue   88 and name N  )  ( residue   84  and name O )  2.80  0.00  0.50

assign ( residue   89 and name HN  ) ( residue   85  and name O )  1.80  0.00  0.50
assign ( residue   89 and name N  )  ( residue   85  and name O )  2.80  0.00  0.50

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    VAL 622           HN       VAL 622  22.892  13.586  -0.206
    2    HA   VAL 622           HA       VAL 622  23.038  11.893  -2.475
    3    HB   VAL 622           HB       VAL 622  22.903  11.088   0.441
    4   1HG1  VAL 622          3HG1      VAL 622  22.472   9.229  -1.084
    5   2HG1  VAL 622          2HG1      VAL 622  23.955   9.598  -1.963
    6   3HG1  VAL 622          1HG1      VAL 622  24.036   9.047  -0.290
    7   1HG2  VAL 622          3HG2      VAL 622  24.722  12.657   0.050
    8   2HG2  VAL 622          2HG2      VAL 622  25.352  11.035   0.345
    9   3HG2  VAL 622          1HG2      VAL 622  25.296  11.675  -1.299
   10    H    SER 623           HN       SER 623  20.899  11.621   0.364
   11    HA   SER 623           HA       SER 623  18.825  10.761   0.640
   12   1HB   SER 623           HB2      SER 623  18.432  11.973  -2.105
   13   2HB   SER 623           HB1      SER 623  17.139  11.497  -1.002
   14    HG   SER 623           HG       SER 623  17.660  13.742  -0.861
   15    H    GLN 624           HN       GLN 624  20.358   8.757   0.186
   16    HA   GLN 624           HA       GLN 624  19.974   7.171  -2.089
   17   1HB   GLN 624           HB2      GLN 624  21.776   6.770  -0.506
   18   2HB   GLN 624           HB1      GLN 624  20.618   6.397   0.761
   19   1HG   GLN 624           HG2      GLN 624  21.593   4.367  -0.070
   20   2HG   GLN 624           HG1      GLN 624  19.888   4.427  -0.507
   21   1HE2  GLN 624          1HE2      GLN 624  19.304   4.664  -2.653
   22   2HE2  GLN 624          2HE2      GLN 624  20.427   4.411  -3.953
   23    H    SER 625           HN       SER 625  18.036   7.636   0.766
   24    HA   SER 625           HA       SER 625  16.497   5.293   0.647
   25   1HB   SER 625           HB2      SER 625  15.589   7.954   1.749
   26   2HB   SER 625           HB1      SER 625  15.074   6.339   2.246
   27    HG   SER 625           HG       SER 625  16.912   6.048   3.320
   28    H    GLN 626           HN       GLN 626  16.229   8.335  -1.086
   29    HA   GLN 626           HA       GLN 626  13.551   8.006  -1.949
   30   1HB   GLN 626           HB2      GLN 626  14.640  10.176  -2.144
   31   2HB   GLN 626           HB1      GLN 626  15.827   9.509  -3.260
   32   1HG   GLN 626           HG2      GLN 626  14.042   9.039  -4.868
   33   2HG   GLN 626           HG1      GLN 626  12.865   9.731  -3.755
   34   1HE2  GLN 626          1HE2      GLN 626  12.789  11.933  -3.465
   35   2HE2  GLN 626          2HE2      GLN 626  13.564  13.044  -4.550
   36    H    ARG 627           HN       ARG 627  16.657   6.965  -3.238
   37    HA   ARG 627           HA       ARG 627  15.599   5.850  -5.631
   38   1HB   ARG 627           HB2      ARG 627  17.988   6.482  -5.360
   39   2HB   ARG 627           HB1      ARG 627  18.167   5.161  -4.216
   40   1HG   ARG 627           HG2      ARG 627  18.995   4.510  -6.396
   41   2HG   ARG 627           HG1      ARG 627  17.567   3.562  -5.972
   42   1HD   ARG 627           HD2      ARG 627  16.231   5.285  -7.273
   43   2HD   ARG 627           HD1      ARG 627  17.775   5.865  -7.891
   44    HE   ARG 627           HE       ARG 627  17.316   3.027  -8.232
   45   1HH1  ARG 627          1HH1      ARG 627  17.080   6.232  -9.627
   46   2HH1  ARG 627          2HH1      ARG 627  16.856   5.649 -11.248
   47   1HH2  ARG 627          1HH2      ARG 627  16.959   2.252 -10.358
   48   2HH2  ARG 627          2HH2      ARG 627  16.743   3.391 -11.661
   49    H    LEU 628           HN       LEU 628  16.059   4.772  -2.367
   50    HA   LEU 628           HA       LEU 628  15.714   2.008  -2.799
   51   1HB   LEU 628           HB2      LEU 628  15.759   3.786  -0.483
   52   2HB   LEU 628           HB1      LEU 628  14.667   2.425  -0.296
   53    HG   LEU 628           HG       LEU 628  17.627   2.359  -0.768
   54   1HD1  LEU 628          2HD1      LEU 628  16.875   2.660   1.537
   55   2HD1  LEU 628          1HD1      LEU 628  15.872   1.213   1.393
   56   3HD1  LEU 628          3HD1      LEU 628  17.631   1.083   1.308
   57   1HD2  LEU 628          1HD2      LEU 628  15.687   0.062  -0.870
   58   2HD2  LEU 628          3HD2      LEU 628  16.639   0.690  -2.215
   59   3HD2  LEU 628          2HD2      LEU 628  17.445  -0.083  -0.850
   60    H    GLU 629           HN       GLU 629  13.436   4.647  -2.544
   61    HA   GLU 629           HA       GLU 629  11.137   3.126  -2.042
   62   1HB   GLU 629           HB2      GLU 629  11.516   5.716  -3.525
   63   2HB   GLU 629           HB1      GLU 629   9.935   4.979  -3.321
   64   1HG   GLU 629           HG2      GLU 629  10.467   5.008  -0.813
   65   2HG   GLU 629           HG1      GLU 629  11.746   6.144  -1.245
   66    H    HIS 630           HN       HIS 630  12.761   3.935  -5.069
   67    HA   HIS 630           HA       HIS 630  10.943   2.796  -6.850
   68   1HB   HIS 630           HB2      HIS 630  12.921   4.213  -7.477
   69   2HB   HIS 630           HB1      HIS 630  13.957   2.830  -7.154
   70    HD1  HIS 630           HD1      HIS 630  11.943   4.389  -9.783
   71    HD2  HIS 630           HD2      HIS 630  13.489   0.605  -8.985
   72    HE1  HIS 630           HE1      HIS 630  11.838   3.136 -11.960
   73    HE2  HIS 630           HE2      HIS 630  12.629   0.807 -11.420
   74    H    ASN 631           HN       ASN 631  13.734   1.328  -5.195
   75    HA   ASN 631           HA       ASN 631  13.326  -1.279  -6.239
   76   1HB   ASN 631           HB2      ASN 631  14.805  -0.265  -3.817
   77   2HB   ASN 631           HB1      ASN 631  14.724  -1.977  -4.217
   78   1HD2  ASN 631          1HD2      ASN 631  15.726  -2.723  -6.069
   79   2HD2  ASN 631          2HD2      ASN 631  16.980  -1.818  -6.859
   80    H    TRP 632           HN       TRP 632  12.388   0.292  -3.221
   81    HA   TRP 632           HA       TRP 632  11.029  -1.801  -2.021
   82   1HB   TRP 632           HB2      TRP 632  11.046   1.117  -1.821
   83   2HB   TRP 632           HB1      TRP 632   9.531   0.372  -1.318
   84    HD1  TRP 632           HD1      TRP 632  12.874   1.225   0.014
   85    HE1  TRP 632           HE1      TRP 632  13.249   0.057   2.278
   86    HE3  TRP 632           HE3      TRP 632   9.001  -2.093  -0.147
   87    HZ2  TRP 632           HZ2      TRP 632  12.042  -2.008   3.791
   88    HZ3  TRP 632           HZ3      TRP 632   8.678  -3.627   1.739
   89    HH2  TRP 632           HH2      TRP 632  10.160  -3.587   3.662
   90    H    ASN 633           HN       ASN 633   9.897   0.483  -4.465
   91    HA   ASN 633           HA       ASN 633   7.192  -0.233  -4.503
   92   1HB   ASN 633           HB2      ASN 633   8.905   0.715  -6.816
   93   2HB   ASN 633           HB1      ASN 633   7.152   0.637  -6.829
   94   1HD2  ASN 633          1HD2      ASN 633   7.188   1.559  -3.927
   95   2HD2  ASN 633          2HD2      ASN 633   7.453   3.264  -4.032
   96    H    LYS 634           HN       LYS 634   9.985  -1.557  -6.200
   97    HA   LYS 634           HA       LYS 634   8.668  -3.356  -7.879
   98   1HB   LYS 634           HB2      LYS 634  11.120  -2.770  -7.901
   99   2HB   LYS 634           HB1      LYS 634  11.325  -3.833  -6.516
  100   1HG   LYS 634           HG2      LYS 634  10.387  -5.686  -7.929
  101   2HG   LYS 634           HG1      LYS 634  10.494  -4.587  -9.306
  102   1HD   LYS 634           HD2      LYS 634  12.471  -5.891  -9.340
  103   2HD   LYS 634           HD1      LYS 634  12.939  -4.303  -8.729
  104   1HE   LYS 634           HE2      LYS 634  14.019  -5.922  -7.361
  105   2HE   LYS 634           HE1      LYS 634  12.705  -5.236  -6.407
  106   1HZ   LYS 634           HZ3      LYS 634  11.368  -7.230  -7.233
  107   2HZ   LYS 634           HZ2      LYS 634  12.857  -7.901  -7.681
  108   3HZ   LYS 634           HZ1      LYS 634  12.558  -7.518  -6.057
  109    H    PHE 635           HN       PHE 635   9.915  -3.834  -4.580
  110    HA   PHE 635           HA       PHE 635   9.125  -6.498  -4.253
  111   1HB   PHE 635           HB2      PHE 635  10.619  -5.621  -2.656
  112   2HB   PHE 635           HB1      PHE 635   9.570  -4.258  -2.298
  113    HD1  PHE 635           HD1      PHE 635   8.710  -4.303  -0.196
  114    HD2  PHE 635           HD2      PHE 635   9.193  -8.003  -2.249
  115    HE1  PHE 635           HE1      PHE 635   7.781  -5.499   1.741
  116    HE2  PHE 635           HE2      PHE 635   8.270  -9.195  -0.313
  117    HZ   PHE 635           HZ       PHE 635   7.563  -7.947   1.682
  118    H    PHE 636           HN       PHE 636   7.336  -3.539  -3.290
  119    HA   PHE 636           HA       PHE 636   5.140  -4.997  -2.280
  120   1HB   PHE 636           HB2      PHE 636   5.545  -2.104  -2.996
  121   2HB   PHE 636           HB1      PHE 636   3.965  -2.702  -2.493
  122    HD1  PHE 636           HD1      PHE 636   4.654  -4.644  -0.467
  123    HD2  PHE 636           HD2      PHE 636   6.326  -0.792  -1.151
  124    HE1  PHE 636           HE1      PHE 636   5.292  -4.504   1.893
  125    HE2  PHE 636           HE2      PHE 636   6.968  -0.656   1.221
  126    HZ   PHE 636           HZ       PHE 636   6.455  -2.521   2.724
  127    H    ALA 637           HN       ALA 637   5.900  -3.716  -5.438
  128    HA   ALA 637           HA       ALA 637   3.357  -4.006  -6.625
  129   1HB   ALA 637           HB3      ALA 637   6.074  -4.106  -7.929
  130   2HB   ALA 637           HB2      ALA 637   4.535  -3.871  -8.756
  131   3HB   ALA 637           HB1      ALA 637   5.122  -2.652  -7.626
  132    H    SER 638           HN       SER 638   5.769  -6.334  -5.786
  133    HA   SER 638           HA       SER 638   5.169  -8.313  -7.692
  134   1HB   SER 638           HB2      SER 638   6.229  -8.612  -4.875
  135   2HB   SER 638           HB1      SER 638   6.237  -9.882  -6.099
  136    HG   SER 638           HG       SER 638   8.232  -8.674  -5.922
  137    H    PHE 639           HN       PHE 639   3.748  -7.652  -4.493
  138    HA   PHE 639           HA       PHE 639   1.887  -9.866  -5.002
  139   1HB   PHE 639           HB2      PHE 639   1.484  -9.790  -2.499
  140   2HB   PHE 639           HB1      PHE 639   3.028 -10.421  -3.054
  141    HD1  PHE 639           HD1      PHE 639   1.353  -7.695  -1.257
  142    HD2  PHE 639           HD2      PHE 639   5.070  -9.204  -2.692
  143    HE1  PHE 639           HE1      PHE 639   2.552  -6.184   0.258
  144    HE2  PHE 639           HE2      PHE 639   6.268  -7.683  -1.181
  145    HZ   PHE 639           HZ       PHE 639   5.013  -6.187   0.303
  146    H    VAL 640           HN       VAL 640   2.038  -6.496  -4.049
  147    HA   VAL 640           HA       VAL 640  -0.462  -6.143  -2.988
  148    HB   VAL 640           HB       VAL 640   1.372  -4.291  -4.467
  149   1HG1  VAL 640          1HG1      VAL 640  -1.365  -3.565  -3.409
  150   2HG1  VAL 640          3HG1      VAL 640  -0.143  -2.422  -3.970
  151   3HG1  VAL 640          2HG1      VAL 640  -0.873  -3.562  -5.102
  152   1HG2  VAL 640          1HG2      VAL 640   1.886  -4.910  -2.162
  153   2HG2  VAL 640          3HG2      VAL 640   1.464  -3.202  -2.269
  154   3HG2  VAL 640          2HG2      VAL 640   0.293  -4.362  -1.645
  155    HA   PRO 641           HA       PRO 641  -2.320  -5.034  -7.385
  156   1HB   PRO 641           HB2      PRO 641  -0.595  -6.750  -9.087
  157   2HB   PRO 641           HB1      PRO 641  -1.286  -5.158  -9.421
  158   1HG   PRO 641           HG2      PRO 641   1.297  -5.420  -8.849
  159   2HG   PRO 641           HG1      PRO 641   0.359  -4.049  -8.223
  160   1HD   PRO 641           HD2      PRO 641   1.253  -6.535  -6.820
  161   2HD   PRO 641           HD1      PRO 641   1.190  -4.866  -6.221
  162    H    ASN 642           HN       ASN 642  -0.847  -8.316  -7.317
  163    HA   ASN 642           HA       ASN 642  -3.178  -9.462  -8.501
  164   1HB   ASN 642           HB2      ASN 642  -2.103 -11.601  -8.286
  165   2HB   ASN 642           HB1      ASN 642  -0.906 -10.423  -8.803
  166   1HD2  ASN 642          1HD2      ASN 642   0.763  -9.896  -7.476
  167   2HD2  ASN 642          2HD2      ASN 642   1.138 -10.788  -6.039
  168    H    LEU 643           HN       LEU 643  -2.223  -8.846  -5.233
  169    HA   LEU 643           HA       LEU 643  -3.951 -10.727  -4.003
  170   1HB   LEU 643           HB2      LEU 643  -2.832  -8.108  -3.007
  171   2HB   LEU 643           HB1      LEU 643  -3.787  -9.185  -2.008
  172    HG   LEU 643           HG       LEU 643  -1.114  -9.843  -3.255
  173   1HD1  LEU 643          1HD1      LEU 643  -0.943  -8.244  -1.426
  174   2HD1  LEU 643          3HD1      LEU 643  -1.895  -9.308  -0.391
  175   3HD1  LEU 643          2HD1      LEU 643  -0.299  -9.817  -0.950
  176   1HD2  LEU 643          3HD2      LEU 643  -2.881 -11.456  -1.417
  177   2HD2  LEU 643          2HD2      LEU 643  -2.506 -11.823  -3.100
  178   3HD2  LEU 643          1HD2      LEU 643  -1.233 -11.879  -1.885
  179    H    ILE 644           HN       ILE 644  -4.362  -7.324  -4.888
  180    HA   ILE 644           HA       ILE 644  -7.022  -7.225  -3.811
  181    HB   ILE 644           HB       ILE 644  -5.686  -5.175  -5.555
  182   1HG1  ILE 644          2HG1      ILE 644  -5.684  -5.447  -2.553
  183   2HG1  ILE 644          1HG1      ILE 644  -4.315  -5.779  -3.619
  184   1HG2  ILE 644          3HG2      ILE 644  -7.938  -4.993  -3.556
  185   2HG2  ILE 644          2HG2      ILE 644  -7.208  -3.620  -4.388
  186   3HG2  ILE 644          1HG2      ILE 644  -8.080  -4.850  -5.308
  187   1HD1  ILE 644          2HD1      ILE 644  -4.276  -3.441  -4.321
  188   2HD1  ILE 644          1HD1      ILE 644  -5.636  -3.101  -3.250
  189   3HD1  ILE 644          3HD1      ILE 644  -4.084  -3.598  -2.574
  190    H    LYS 645           HN       LYS 645  -5.579  -7.409  -7.049
  191    HA   LYS 645           HA       LYS 645  -7.519  -6.264  -8.572
  192   1HB   LYS 645           HB2      LYS 645  -5.409  -7.007  -9.492
  193   2HB   LYS 645           HB1      LYS 645  -5.870  -8.691  -9.277
  194   1HG   LYS 645           HG2      LYS 645  -7.549  -8.531 -10.952
  195   2HG   LYS 645           HG1      LYS 645  -7.377  -6.777 -11.038
  196   1HD   LYS 645           HD2      LYS 645  -5.200  -8.739 -11.746
  197   2HD   LYS 645           HD1      LYS 645  -6.290  -7.997 -12.918
  198   1HE   LYS 645           HE2      LYS 645  -4.378  -6.542 -11.096
  199   2HE   LYS 645           HE1      LYS 645  -4.157  -6.818 -12.823
  200   1HZ   LYS 645           HZ3      LYS 645  -6.177  -5.508 -13.226
  201   2HZ   LYS 645           HZ2      LYS 645  -6.305  -5.196 -11.563
  202   3HZ   LYS 645           HZ1      LYS 645  -4.978  -4.604 -12.435
  203    H    LYS 646           HN       LYS 646  -7.657  -9.529  -7.262
  204    HA   LYS 646           HA       LYS 646 -10.502  -9.519  -7.772
  205   1HB   LYS 646           HB2      LYS 646  -9.201 -10.560  -9.819
  206   2HB   LYS 646           HB1      LYS 646  -9.095 -11.967  -8.769
  207   1HG   LYS 646           HG2      LYS 646 -11.698 -10.615  -9.427
  208   2HG   LYS 646           HG1      LYS 646 -11.020 -11.919 -10.398
  209   1HD   LYS 646           HD2      LYS 646 -11.156 -13.449  -8.563
  210   2HD   LYS 646           HD1      LYS 646 -11.581 -12.153  -7.444
  211   1HE   LYS 646           HE2      LYS 646 -13.528 -13.519  -8.101
  212   2HE   LYS 646           HE1      LYS 646 -13.698 -11.827  -8.561
  213   1HZ   LYS 646           HZ3      LYS 646 -12.834 -13.995 -10.398
  214   2HZ   LYS 646           HZ2      LYS 646 -14.405 -13.372 -10.315
  215   3HZ   LYS 646           HZ1      LYS 646 -13.126 -12.379 -10.812
  216    H    ASN 647           HN       ASN 647 -10.158  -9.320  -5.411
  217    HA   ASN 647           HA       ASN 647 -10.133 -12.056  -4.298
  218   1HB   ASN 647           HB2      ASN 647  -8.091 -10.138  -3.886
  219   2HB   ASN 647           HB1      ASN 647  -9.001 -10.245  -2.384
  220   1HD2  ASN 647          1HD2      ASN 647  -7.262 -11.185  -1.329
  221   2HD2  ASN 647          2HD2      ASN 647  -6.813 -12.834  -1.595
  222    HA   PRO 648           HA       PRO 648 -13.591 -10.910  -1.636
  223   1HB   PRO 648           HB2      PRO 648 -12.263 -10.636   0.863
  224   2HB   PRO 648           HB1      PRO 648 -13.183 -12.026   0.288
  225   1HG   PRO 648           HG2      PRO 648 -10.256 -11.566   0.280
  226   2HG   PRO 648           HG1      PRO 648 -11.158 -13.087   0.389
  227   1HD   PRO 648           HD2      PRO 648  -9.885 -12.390  -1.857
  228   2HD   PRO 648           HD1      PRO 648 -11.455 -13.220  -1.913
  229    H    GLN 649           HN       GLN 649 -10.583  -9.130  -1.474
  230    HA   GLN 649           HA       GLN 649 -11.657  -6.781  -0.301
  231   1HB   GLN 649           HB2      GLN 649  -9.489  -5.977  -1.812
  232   2HB   GLN 649           HB1      GLN 649  -9.451  -6.472  -0.128
  233   1HG   GLN 649           HG2      GLN 649  -9.259  -8.582  -2.200
  234   2HG   GLN 649           HG1      GLN 649  -7.869  -7.531  -1.954
  235   1HE2  GLN 649          1HE2      GLN 649 -10.003  -8.308   0.677
  236   2HE2  GLN 649          2HE2      GLN 649  -8.915  -9.351   1.525
  237    H    SER 650           HN       SER 650 -10.873  -7.652  -3.690
  238    HA   SER 650           HA       SER 650 -11.575  -5.102  -4.692
  239   1HB   SER 650           HB2      SER 650 -11.309  -6.084  -6.894
  240   2HB   SER 650           HB1      SER 650  -9.993  -6.571  -5.835
  241    HG   SER 650           HG       SER 650 -11.133  -8.226  -7.198
  242    H    LYS 651           HN       LYS 651 -13.410  -8.056  -4.267
  243    HA   LYS 651           HA       LYS 651 -15.539  -7.322  -5.984
  244   1HB   LYS 651           HB2      LYS 651 -16.821  -9.078  -4.933
  245   2HB   LYS 651           HB1      LYS 651 -15.178  -9.637  -5.193
  246   1HG   LYS 651           HG2      LYS 651 -14.717  -9.102  -2.785
  247   2HG   LYS 651           HG1      LYS 651 -16.450  -8.815  -2.597
  248   1HD   LYS 651           HD2      LYS 651 -16.852 -11.117  -3.482
  249   2HD   LYS 651           HD1      LYS 651 -15.109 -11.382  -3.442
  250   1HE   LYS 651           HE2      LYS 651 -15.995 -12.336  -1.462
  251   2HE   LYS 651           HE1      LYS 651 -15.190 -10.841  -0.991
  252   1HZ   LYS 651           HZ3      LYS 651 -18.097 -10.978  -1.524
  253   2HZ   LYS 651           HZ2      LYS 651 -17.446 -11.271   0.011
  254   3HZ   LYS 651           HZ1      LYS 651 -17.245  -9.757  -0.719
  255    H    GLN 652           HN       GLN 652 -14.509  -6.108  -3.012
  256    HA   GLN 652           HA       GLN 652 -17.107  -4.780  -2.568
  257   1HB   GLN 652           HB2      GLN 652 -14.872  -4.803  -0.562
  258   2HB   GLN 652           HB1      GLN 652 -16.599  -4.613  -0.288
  259   1HG   GLN 652           HG2      GLN 652 -15.372  -7.168  -1.261
  260   2HG   GLN 652           HG1      GLN 652 -15.564  -6.793   0.443
  261   1HE2  GLN 652          1HE2      GLN 652 -17.935  -5.802  -1.921
  262   2HE2  GLN 652          2HE2      GLN 652 -19.173  -6.903  -1.422
  263    H    PHE 653           HN       PHE 653 -13.942  -4.527  -3.650
  264    HA   PHE 653           HA       PHE 653 -13.476  -1.770  -2.864
  265   1HB   PHE 653           HB2      PHE 653 -11.934  -4.006  -3.510
  266   2HB   PHE 653           HB1      PHE 653 -11.685  -2.892  -4.845
  267    HD1  PHE 653           HD1      PHE 653 -12.338  -0.773  -2.227
  268    HD2  PHE 653           HD2      PHE 653  -9.378  -3.514  -3.577
  269    HE1  PHE 653           HE1      PHE 653 -10.630   0.438  -0.941
  270    HE2  PHE 653           HE2      PHE 653  -7.671  -2.305  -2.301
  271    HZ   PHE 653           HZ       PHE 653  -8.297  -0.332  -0.999
  272    H    ASP 654           HN       ASP 654 -14.330  -0.154  -3.972
  273    HA   ASP 654           HA       ASP 654 -15.314  -0.391  -6.617
  274   1HB   ASP 654           HB2      ASP 654 -16.224   1.237  -5.016
  275   2HB   ASP 654           HB1      ASP 654 -14.687   2.091  -4.997
  276    H    HIS 655           HN       HIS 655 -14.474   1.310  -8.320
  277    HA   HIS 655           HA       HIS 655 -12.042   0.057  -9.103
  278   1HB   HIS 655           HB2      HIS 655 -13.800   2.129 -10.339
  279   2HB   HIS 655           HB1      HIS 655 -12.198   1.845 -11.012
  280    HD1  HIS 655           HD1      HIS 655 -12.014  -0.012 -12.653
  281    HD2  HIS 655           HD2      HIS 655 -15.434  -0.326 -10.304
  282    HE1  HIS 655           HE1      HIS 655 -13.313  -1.947 -13.599
  283    HE2  HIS 655           HE2      HIS 655 -15.301  -2.210 -12.077
  284    H    GLU 656           HN       GLU 656 -12.770   3.454  -8.302
  285    HA   GLU 656           HA       GLU 656 -10.085   4.299  -8.579
  286   1HB   GLU 656           HB2      GLU 656 -10.744   6.364  -7.575
  287   2HB   GLU 656           HB1      GLU 656 -12.043   5.834  -8.631
  288   1HG   GLU 656           HG2      GLU 656 -13.294   5.037  -6.701
  289   2HG   GLU 656           HG1      GLU 656 -11.981   5.551  -5.640
  290    H    ASN 657           HN       ASN 657 -11.894   2.883  -5.986
  291    HA   ASN 657           HA       ASN 657 -10.219   3.408  -3.798
  292   1HB   ASN 657           HB2      ASN 657 -11.808   0.909  -4.420
  293   2HB   ASN 657           HB1      ASN 657 -11.133   1.312  -2.852
  294   1HD2  ASN 657          1HD2      ASN 657 -13.159   1.090  -1.983
  295   2HD2  ASN 657          2HD2      ASN 657 -14.365   2.298  -2.159
  296    H    ILE 658           HN       ILE 658 -10.296   0.834  -6.182
  297    HA   ILE 658           HA       ILE 658  -8.190  -0.683  -5.059
  298    HB   ILE 658           HB       ILE 658  -9.747  -0.777  -7.587
  299   1HG1  ILE 658          2HG1      ILE 658  -9.073  -2.734  -5.388
  300   2HG1  ILE 658          1HG1      ILE 658 -10.630  -1.962  -5.671
  301   1HG2  ILE 658          3HG2      ILE 658  -7.176  -2.311  -7.199
  302   2HG2  ILE 658          2HG2      ILE 658  -8.365  -2.619  -8.465
  303   3HG2  ILE 658          1HG2      ILE 658  -7.491  -1.089  -8.432
  304   1HD1  ILE 658          3HD1      ILE 658 -10.845  -3.187  -7.768
  305   2HD1  ILE 658          2HD1      ILE 658  -9.310  -3.993  -7.441
  306   3HD1  ILE 658          1HD1      ILE 658 -10.685  -4.250  -6.368
  307    H    LYS 659           HN       LYS 659  -8.270   1.633  -7.776
  308    HA   LYS 659           HA       LYS 659  -5.575   1.274  -8.515
  309   1HB   LYS 659           HB2      LYS 659  -5.749   3.360  -9.741
  310   2HB   LYS 659           HB1      LYS 659  -7.221   2.425  -9.958
  311   1HG   LYS 659           HG2      LYS 659  -8.437   3.836  -8.492
  312   2HG   LYS 659           HG1      LYS 659  -6.966   4.646  -7.953
  313   1HD   LYS 659           HD2      LYS 659  -6.654   5.573 -10.195
  314   2HD   LYS 659           HD1      LYS 659  -8.119   4.751 -10.741
  315   1HE   LYS 659           HE2      LYS 659  -8.551   7.105 -10.237
  316   2HE   LYS 659           HE1      LYS 659  -9.451   6.038  -9.161
  317   1HZ   LYS 659           HZ1      LYS 659  -7.556   6.386  -7.544
  318   2HZ   LYS 659           HZ3      LYS 659  -7.045   7.656  -8.542
  319   3HZ   LYS 659           HZ2      LYS 659  -8.570   7.711  -7.802
  320    H    GLN 660           HN       GLN 660  -7.105   3.432  -6.187
  321    HA   GLN 660           HA       GLN 660  -4.747   4.890  -5.559
  322   1HB   GLN 660           HB2      GLN 660  -6.997   5.780  -5.109
  323   2HB   GLN 660           HB1      GLN 660  -7.264   4.504  -3.928
  324   1HG   GLN 660           HG2      GLN 660  -5.436   5.371  -2.567
  325   2HG   GLN 660           HG1      GLN 660  -5.160   6.650  -3.748
  326   1HE2  GLN 660          1HE2      GLN 660  -7.235   5.449  -1.247
  327   2HE2  GLN 660          2HE2      GLN 660  -8.161   6.896  -1.033
  328    H    CYS 661           HN       CYS 661  -6.395   2.123  -4.074
  329    HA   CYS 661           HA       CYS 661  -4.774   1.897  -1.819
  330   1HB   CYS 661           HB2      CYS 661  -6.871   0.670  -2.058
  331   2HB   CYS 661           HB1      CYS 661  -6.169  -0.303  -3.346
  332    HG   CYS 661           HG       CYS 661  -4.056  -0.977  -1.247
  333    H    ALA 662           HN       ALA 662  -4.512   0.177  -4.928
  334    HA   ALA 662           HA       ALA 662  -2.260  -1.314  -4.349
  335   1HB   ALA 662           HB3      ALA 662  -3.672  -1.652  -6.322
  336   2HB   ALA 662           HB2      ALA 662  -3.026  -0.172  -7.031
  337   3HB   ALA 662           HB1      ALA 662  -1.962  -1.550  -6.744
  338    H    LYS 663           HN       LYS 663  -2.326   1.903  -5.964
  339    HA   LYS 663           HA       LYS 663   0.512   1.906  -6.224
  340   1HB   LYS 663           HB2      LYS 663   0.326   4.104  -7.133
  341   2HB   LYS 663           HB1      LYS 663  -1.021   3.158  -7.745
  342   1HG   LYS 663           HG2      LYS 663  -2.526   4.234  -6.182
  343   2HG   LYS 663           HG1      LYS 663  -1.179   5.129  -5.471
  344   1HD   LYS 663           HD2      LYS 663  -0.765   6.159  -7.696
  345   2HD   LYS 663           HD1      LYS 663  -2.215   5.353  -8.295
  346   1HE   LYS 663           HE2      LYS 663  -2.727   7.643  -7.715
  347   2HE   LYS 663           HE1      LYS 663  -3.548   6.548  -6.605
  348   1HZ   LYS 663           HZ2      LYS 663  -0.940   7.793  -5.943
  349   2HZ   LYS 663           HZ1      LYS 663  -2.418   8.550  -5.600
  350   3HZ   LYS 663           HZ3      LYS 663  -2.051   7.052  -4.891
  351    H    ASP 664           HN       ASP 664  -1.708   3.229  -3.835
  352    HA   ASP 664           HA       ASP 664   0.355   4.800  -2.600
  353   1HB   ASP 664           HB2      ASP 664  -2.531   4.352  -2.059
  354   2HB   ASP 664           HB1      ASP 664  -1.517   4.927  -0.737
  355    H    ILE 665           HN       ILE 665  -1.076   1.607  -1.977
  356    HA   ILE 665           HA       ILE 665   0.144   1.356   0.577
  357    HB   ILE 665           HB       ILE 665  -1.642  -0.191  -0.087
  358   1HG1  ILE 665          2HG1      ILE 665   0.930  -1.713   0.408
  359   2HG1  ILE 665          1HG1      ILE 665   0.057  -0.821   1.656
  360   1HG2  ILE 665          1HG2      ILE 665   0.391  -1.312  -1.994
  361   2HG2  ILE 665          3HG2      ILE 665  -1.162  -2.054  -1.607
  362   3HG2  ILE 665          2HG2      ILE 665  -1.111  -0.487  -2.414
  363   1HD1  ILE 665          1HD1      ILE 665  -1.884  -2.263   1.310
  364   2HD1  ILE 665          3HD1      ILE 665  -0.992  -3.158   0.080
  365   3HD1  ILE 665          2HD1      ILE 665  -0.447  -3.184   1.758
  366    H    VAL 666           HN       VAL 666   1.242   0.713  -2.707
  367    HA   VAL 666           HA       VAL 666   3.662  -0.531  -2.109
  368    HB   VAL 666           HB       VAL 666   2.911   1.258  -4.427
  369   1HG1  VAL 666          3HG1      VAL 666   5.331   1.233  -4.161
  370   2HG1  VAL 666          2HG1      VAL 666   5.318  -0.529  -4.129
  371   3HG1  VAL 666          1HG1      VAL 666   4.843   0.329  -5.594
  372   1HG2  VAL 666          3HG2      VAL 666   1.607  -0.794  -4.253
  373   2HG2  VAL 666          2HG2      VAL 666   2.693  -0.853  -5.642
  374   3HG2  VAL 666          1HG2      VAL 666   3.093  -1.741  -4.173
  375    H    LYS 667           HN       LYS 667   2.979   2.957  -2.611
  376    HA   LYS 667           HA       LYS 667   5.668   3.670  -1.917
  377   1HB   LYS 667           HB2      LYS 667   4.416   5.069  -3.466
  378   2HB   LYS 667           HB1      LYS 667   3.228   5.422  -2.214
  379   1HG   LYS 667           HG2      LYS 667   4.896   6.563  -0.894
  380   2HG   LYS 667           HG1      LYS 667   6.152   6.130  -2.051
  381   1HD   LYS 667           HD2      LYS 667   5.000   7.457  -3.768
  382   2HD   LYS 667           HD1      LYS 667   3.781   7.918  -2.575
  383   1HE   LYS 667           HE2      LYS 667   5.465   9.670  -2.832
  384   2HE   LYS 667           HE1      LYS 667   5.505   8.982  -1.211
  385   1HZ   LYS 667           HZ3      LYS 667   7.345   8.162  -3.394
  386   2HZ   LYS 667           HZ2      LYS 667   7.722   9.334  -2.235
  387   3HZ   LYS 667           HZ1      LYS 667   7.450   7.732  -1.755
  388    H    ILE 668           HN       ILE 668   2.543   4.080  -0.254
  389    HA   ILE 668           HA       ILE 668   3.542   5.556   1.894
  390    HB   ILE 668           HB       ILE 668   1.079   3.831   1.703
  391   1HG1  ILE 668          2HG1      ILE 668   1.151   5.782   0.219
  392   2HG1  ILE 668          1HG1      ILE 668  -0.074   5.985   1.468
  393   1HG2  ILE 668          2HG2      ILE 668   1.835   5.751   3.904
  394   2HG2  ILE 668          1HG2      ILE 668   0.259   4.979   3.714
  395   3HG2  ILE 668          3HG2      ILE 668   1.686   3.999   4.049
  396   1HD1  ILE 668          1HD1      ILE 668   2.668   7.223   1.472
  397   2HD1  ILE 668          3HD1      ILE 668   1.160   8.042   1.072
  398   3HD1  ILE 668          2HD1      ILE 668   1.430   7.444   2.709
  399    H    LEU 669           HN       LEU 669   3.225   2.020   1.537
  400    HA   LEU 669           HA       LEU 669   3.808   1.456   4.238
  401   1HB   LEU 669           HB2      LEU 669   3.062  -0.110   2.162
  402   2HB   LEU 669           HB1      LEU 669   4.768  -0.503   2.252
  403    HG   LEU 669           HG       LEU 669   2.899  -0.688   4.617
  404   1HD1  LEU 669          2HD1      LEU 669   2.178  -2.214   2.856
  405   2HD1  LEU 669          1HD1      LEU 669   3.807  -2.876   2.755
  406   3HD1  LEU 669          3HD1      LEU 669   2.858  -3.087   4.226
  407   1HD2  LEU 669          1HD2      LEU 669   5.670  -1.796   4.142
  408   2HD2  LEU 669          3HD2      LEU 669   5.251  -0.468   5.217
  409   3HD2  LEU 669          2HD2      LEU 669   4.674  -2.097   5.561
  410    H    THR 670           HN       THR 670   5.944   1.580   1.372
  411    HA   THR 670           HA       THR 670   8.282   1.108   2.883
  412    HB   THR 670           HB       THR 670   8.537   0.689   0.580
  413    HG1  THR 670           HG1      THR 670  10.384   1.628   1.489
  414   1HG2  THR 670          1HG2      THR 670   7.752   3.551   0.038
  415   2HG2  THR 670          3HG2      THR 670   8.301   2.389  -1.167
  416   3HG2  THR 670          2HG2      THR 670   6.777   2.124  -0.317
  417    H    THR 671           HN       THR 671   6.720   4.130   1.823
  418    HA   THR 671           HA       THR 671   8.691   5.885   2.717
  419    HB   THR 671           HB       THR 671   5.700   6.345   2.766
  420    HG1  THR 671           HG1      THR 671   7.594   6.281   0.712
  421   1HG2  THR 671          3HG2      THR 671   6.934   8.023   4.046
  422   2HG2  THR 671          2HG2      THR 671   7.996   8.305   2.665
  423   3HG2  THR 671          1HG2      THR 671   6.284   8.716   2.559
  424    H    LYS 672           HN       LYS 672   5.964   4.442   4.485
  425    HA   LYS 672           HA       LYS 672   6.517   5.883   6.879
  426   1HB   LYS 672           HB2      LYS 672   4.766   3.494   6.321
  427   2HB   LYS 672           HB1      LYS 672   4.915   4.220   7.917
  428   1HG   LYS 672           HG2      LYS 672   4.127   6.358   7.000
  429   2HG   LYS 672           HG1      LYS 672   3.926   5.592   5.424
  430   1HD   LYS 672           HD2      LYS 672   1.796   5.734   6.594
  431   2HD   LYS 672           HD1      LYS 672   2.285   4.052   6.391
  432   1HE   LYS 672           HE2      LYS 672   2.896   3.851   8.656
  433   2HE   LYS 672           HE1      LYS 672   2.863   5.597   8.901
  434   1HZ   LYS 672           HZ1      LYS 672   0.454   3.983   8.251
  435   2HZ   LYS 672           HZ3      LYS 672   0.918   4.391   9.830
  436   3HZ   LYS 672           HZ2      LYS 672   0.508   5.609   8.724
  437    H    GLU 673           HN       GLU 673   7.195   2.500   5.871
  438    HA   GLU 673           HA       GLU 673   8.469   2.014   8.380
  439   1HB   GLU 673           HB2      GLU 673   9.059  -0.159   7.608
  440   2HB   GLU 673           HB1      GLU 673   7.399   0.187   7.178
  441   1HG   GLU 673           HG2      GLU 673   7.863   0.254   4.914
  442   2HG   GLU 673           HG1      GLU 673   9.588   0.539   5.169
  443    H    LEU 674           HN       LEU 674   9.568   3.314   5.388
  444    HA   LEU 674           HA       LEU 674  12.382   3.094   6.017
  445   1HB   LEU 674           HB2      LEU 674  11.211   3.468   3.703
  446   2HB   LEU 674           HB1      LEU 674  11.209   5.154   4.179
  447    HG   LEU 674           HG       LEU 674  13.682   5.061   4.386
  448   1HD1  LEU 674          2HD1      LEU 674  13.888   2.652   4.795
  449   2HD1  LEU 674          1HD1      LEU 674  13.361   2.334   3.143
  450   3HD1  LEU 674          3HD1      LEU 674  14.882   3.176   3.435
  451   1HD2  LEU 674          2HD2      LEU 674  12.547   4.257   1.710
  452   2HD2  LEU 674          1HD2      LEU 674  12.624   5.896   2.358
  453   3HD2  LEU 674          3HD2      LEU 674  14.111   5.025   1.977
  454    H    LYS 675           HN       LYS 675   9.753   5.208   6.742
  455    HA   LYS 675           HA       LYS 675  11.316   7.338   7.838
  456   1HB   LYS 675           HB2      LYS 675   8.933   7.557   7.122
  457   2HB   LYS 675           HB1      LYS 675   8.469   6.521   8.461
  458   1HG   LYS 675           HG2      LYS 675   9.288   8.174  10.045
  459   2HG   LYS 675           HG1      LYS 675   9.796   9.211   8.709
  460   1HD   LYS 675           HD2      LYS 675   7.481   9.352   7.937
  461   2HD   LYS 675           HD1      LYS 675   6.973   8.317   9.271
  462   1HE   LYS 675           HE2      LYS 675   7.783  10.003  10.861
  463   2HE   LYS 675           HE1      LYS 675   8.233  11.041   9.507
  464   1HZ   LYS 675           HZ3      LYS 675   5.478  10.099  10.109
  465   2HZ   LYS 675           HZ2      LYS 675   6.077  11.651  10.445
  466   3HZ   LYS 675           HZ1      LYS 675   5.917  11.129   8.838
  467    H    LYS 676           HN       LYS 676  10.094   4.272   8.908
  468    HA   LYS 676           HA       LYS 676  10.824   4.514  11.662
  469   1HB   LYS 676           HB2      LYS 676  10.539   2.087   9.879
  470   2HB   LYS 676           HB1      LYS 676  10.780   2.017  11.616
  471   1HG   LYS 676           HG2      LYS 676   8.651   2.921  12.046
  472   2HG   LYS 676           HG1      LYS 676   8.438   3.409  10.363
  473   1HD   LYS 676           HD2      LYS 676   7.135   1.393  10.932
  474   2HD   LYS 676           HD1      LYS 676   8.318   1.097   9.664
  475   1HE   LYS 676           HE2      LYS 676   8.924   0.498  12.540
  476   2HE   LYS 676           HE1      LYS 676   8.048  -0.648  11.533
  477   1HZ   LYS 676           HZ2      LYS 676   9.991  -0.512   9.959
  478   2HZ   LYS 676           HZ1      LYS 676  10.828   0.331  11.164
  479   3HZ   LYS 676           HZ3      LYS 676  10.308  -1.256  11.445
  480    H    ASP 677           HN       ASP 677  12.289   2.923   8.869
  481    HA   ASP 677           HA       ASP 677  14.959   3.254  10.060
  482   1HB   ASP 677           HB2      ASP 677  13.943   0.766   8.643
  483   2HB   ASP 677           HB1      ASP 677  15.575   1.008   9.254
  484    H    SER 678           HN       SER 678  15.936   4.664   8.684
  485    HA   SER 678           HA       SER 678  14.843   5.054   6.070
  486   1HB   SER 678           HB2      SER 678  16.748   6.799   5.964
  487   2HB   SER 678           HB1      SER 678  15.448   7.042   7.129
  488    HG   SER 678           HG       SER 678  16.815   6.847   8.695
  489    H    SER 679           HN       SER 679  17.260   3.044   7.272
  490    HA   SER 679           HA       SER 679  18.375   2.735   4.563
  491   1HB   SER 679           HB2      SER 679  19.593   1.846   7.192
  492   2HB   SER 679           HB1      SER 679  20.344   1.743   5.599
  493    HG   SER 679           HG       SER 679  19.458   4.261   6.261
  494    H    ARG 680           HN       ARG 680  15.859   1.727   5.293
  495    HA   ARG 680           HA       ARG 680  16.218  -1.103   5.884
  496   1HB   ARG 680           HB2      ARG 680  14.303   0.520   6.715
  497   2HB   ARG 680           HB1      ARG 680  13.583   0.128   5.163
  498   1HG   ARG 680           HG2      ARG 680  14.354  -1.874   7.278
  499   2HG   ARG 680           HG1      ARG 680  12.725  -1.271   6.982
  500   1HD   ARG 680           HD2      ARG 680  12.913  -2.172   4.651
  501   2HD   ARG 680           HD1      ARG 680  14.436  -2.921   5.132
  502    HE   ARG 680           HE       ARG 680  11.865  -3.551   6.437
  503   1HH1  ARG 680          1HH1      ARG 680  14.893  -4.533   4.982
  504   2HH1  ARG 680          2HH1      ARG 680  14.673  -6.221   5.331
  505   1HH2  ARG 680          1HH2      ARG 680  11.543  -5.774   6.879
  506   2HH2  ARG 680          2HH2      ARG 680  12.751  -6.936   6.392
  507    H    ALA 681           HN       ALA 681  16.998  -2.168   4.180
  508    HA   ALA 681           HA       ALA 681  16.250  -1.539   1.471
  509   1HB   ALA 681           HB3      ALA 681  17.786  -3.898   2.560
  510   2HB   ALA 681           HB1      ALA 681  18.489  -2.379   2.003
  511   3HB   ALA 681           HB2      ALA 681  17.655  -3.436   0.863
  512    HA   PRO 682           HA       PRO 682  12.469  -3.810   1.397
  513   1HB   PRO 682           HB2      PRO 682  12.440  -4.353  -1.308
  514   2HB   PRO 682           HB1      PRO 682  11.916  -2.830  -0.583
  515   1HG   PRO 682           HG2      PRO 682  14.528  -3.522  -1.861
  516   2HG   PRO 682           HG1      PRO 682  13.577  -2.030  -1.989
  517   1HD   PRO 682           HD2      PRO 682  15.738  -2.173  -0.410
  518   2HD   PRO 682           HD1      PRO 682  14.302  -1.242   0.070
  519    HA   PRO 683           HA       PRO 683  14.042  -8.022   1.602
  520   1HB   PRO 683           HB2      PRO 683  11.557  -9.135   2.071
  521   2HB   PRO 683           HB1      PRO 683  12.636  -8.518   3.323
  522   1HG   PRO 683           HG2      PRO 683  10.268  -7.221   2.054
  523   2HG   PRO 683           HG1      PRO 683  10.812  -7.167   3.741
  524   1HD   PRO 683           HD2      PRO 683  11.204  -5.109   2.045
  525   2HD   PRO 683           HD1      PRO 683  12.375  -5.524   3.318
  526    H    ASP 684           HN       ASP 684  13.750  -9.945   0.299
  527    HA   ASP 684           HA       ASP 684  13.443  -9.336  -2.392
  528   1HB   ASP 684           HB2      ASP 684  13.466 -11.833  -2.746
  529   2HB   ASP 684           HB1      ASP 684  14.803 -11.194  -1.788
  530    H    ASP 685           HN       ASP 685  11.256 -11.395  -0.464
  531    HA   ASP 685           HA       ASP 685   8.987 -10.362  -1.990
  532   1HB   ASP 685           HB2      ASP 685  10.023 -12.586  -2.977
  533   2HB   ASP 685           HB1      ASP 685   9.178 -13.325  -1.622
  534    H    LEU 686           HN       LEU 686   6.980 -11.766  -1.070
  535    HA   LEU 686           HA       LEU 686   6.641 -10.760   1.532
  536   1HB   LEU 686           HB2      LEU 686   5.110 -12.356  -0.406
  537   2HB   LEU 686           HB1      LEU 686   4.641 -12.554   1.270
  538    HG   LEU 686           HG       LEU 686   4.506 -10.110  -0.445
  539   1HD1  LEU 686          3HD1      LEU 686   2.526 -11.562   1.284
  540   2HD1  LEU 686          2HD1      LEU 686   2.191 -10.096   0.366
  541   3HD1  LEU 686          1HD1      LEU 686   2.599 -11.589  -0.477
  542   1HD2  LEU 686          2HD2      LEU 686   4.380 -10.216   2.553
  543   2HD2  LEU 686          1HD2      LEU 686   5.552  -9.340   1.570
  544   3HD2  LEU 686          3HD2      LEU 686   3.858  -8.847   1.569
  545    H    THR 687           HN       THR 687   8.153 -11.639   2.937
  546    HA   THR 687           HA       THR 687   8.203 -14.454   3.478
  547    HB   THR 687           HB       THR 687   9.002 -12.351   5.476
  548    HG1  THR 687           HG1      THR 687  10.165 -12.870   2.964
  549   1HG2  THR 687          1HG2      THR 687  10.169 -15.022   4.688
  550   2HG2  THR 687          3HG2      THR 687  10.809 -13.959   5.940
  551   3HG2  THR 687          2HG2      THR 687   9.212 -14.684   6.132
  552    H    LYS 688           HN       LYS 688   7.268 -15.445   5.382
  553    HA   LYS 688           HA       LYS 688   4.583 -15.085   5.623
  554   1HB   LYS 688           HB2      LYS 688   6.434 -16.152   7.758
  555   2HB   LYS 688           HB1      LYS 688   4.698 -16.425   7.687
  556   1HG   LYS 688           HG2      LYS 688   4.953 -17.613   5.580
  557   2HG   LYS 688           HG1      LYS 688   6.690 -17.314   5.612
  558   1HD   LYS 688           HD2      LYS 688   5.130 -18.910   7.643
  559   2HD   LYS 688           HD1      LYS 688   6.154 -19.576   6.368
  560   1HE   LYS 688           HE2      LYS 688   8.093 -18.429   7.355
  561   2HE   LYS 688           HE1      LYS 688   7.062 -17.818   8.648
  562   1HZ   LYS 688           HZ3      LYS 688   6.580 -20.153   9.238
  563   2HZ   LYS 688           HZ2      LYS 688   7.709 -20.660   8.079
  564   3HZ   LYS 688           HZ1      LYS 688   8.219 -19.751   9.417
  565    H    GLY 689           HN       GLY 689   6.999 -13.758   7.889
  566   1HA   GLY 689           HA1      GLY 689   6.871 -12.000   9.362
  567   2HA   GLY 689           HA2      GLY 689   5.195 -12.470   9.606
  568    H    LYS 690           HN       LYS 690   6.976 -11.102   6.841
  569    HA   LYS 690           HA       LYS 690   5.848  -8.521   7.017
  570   1HB   LYS 690           HB2      LYS 690   7.801  -9.788   5.467
  571   2HB   LYS 690           HB1      LYS 690   6.581  -9.284   4.308
  572   1HG   LYS 690           HG2      LYS 690   7.927  -7.465   6.300
  573   2HG   LYS 690           HG1      LYS 690   8.377  -7.630   4.604
  574   1HD   LYS 690           HD2      LYS 690   6.008  -6.965   4.038
  575   2HD   LYS 690           HD1      LYS 690   5.807  -6.548   5.740
  576   1HE   LYS 690           HE2      LYS 690   7.895  -5.389   3.897
  577   2HE   LYS 690           HE1      LYS 690   6.378  -4.604   4.321
  578   1HZ   LYS 690           HZ2      LYS 690   7.119  -4.664   6.668
  579   2HZ   LYS 690           HZ1      LYS 690   8.619  -5.256   6.157
  580   3HZ   LYS 690           HZ3      LYS 690   8.109  -3.712   5.666
  581    H    ARG 691           HN       ARG 691   5.009 -11.356   5.072
  582    HA   ARG 691           HA       ARG 691   2.910 -10.329   3.575
  583   1HB   ARG 691           HB2      ARG 691   3.771 -12.489   3.063
  584   2HB   ARG 691           HB1      ARG 691   3.427 -13.086   4.680
  585   1HG   ARG 691           HG2      ARG 691   1.026 -12.918   4.221
  586   2HG   ARG 691           HG1      ARG 691   1.391 -12.355   2.586
  587   1HD   ARG 691           HD2      ARG 691   2.449 -14.432   2.042
  588   2HD   ARG 691           HD1      ARG 691   2.335 -14.985   3.713
  589    HE   ARG 691           HE       ARG 691  -0.076 -14.475   2.102
  590   1HH1  ARG 691          1HH1      ARG 691   1.914 -16.598   4.035
  591   2HH1  ARG 691          2HH1      ARG 691   0.687 -17.819   4.191
  592   1HH2  ARG 691          1HH2      ARG 691  -1.695 -16.075   2.293
  593   2HH2  ARG 691          2HH2      ARG 691  -1.375 -17.509   3.221
  594    H    HIS 692           HN       HIS 692   2.856 -11.717   6.841
  595    HA   HIS 692           HA       HIS 692   0.063 -11.576   7.195
  596   1HB   HIS 692           HB2      HIS 692   1.840 -12.753   8.656
  597   2HB   HIS 692           HB1      HIS 692   2.046 -11.187   9.431
  598    HD1  HIS 692           HD1      HIS 692  -0.111 -10.231  10.721
  599    HD2  HIS 692           HD2      HIS 692  -0.328 -14.202   9.479
  600    HE1  HIS 692           HE1      HIS 692  -1.991 -11.258  12.034
  601    HE2  HIS 692           HE2      HIS 692  -2.024 -13.687  11.362
  602    H    LYS 693           HN       LYS 693   2.667  -9.285   7.801
  603    HA   LYS 693           HA       LYS 693   1.070  -7.363   9.139
  604   1HB   LYS 693           HB2      LYS 693   3.623  -7.679   9.188
  605   2HB   LYS 693           HB1      LYS 693   3.634  -6.755   7.693
  606   1HG   LYS 693           HG2      LYS 693   4.097  -5.366   9.660
  607   2HG   LYS 693           HG1      LYS 693   2.633  -4.859   8.812
  608   1HD   LYS 693           HD2      LYS 693   1.231  -5.826  10.458
  609   2HD   LYS 693           HD1      LYS 693   2.573  -6.719  11.177
  610   1HE   LYS 693           HE2      LYS 693   2.401  -3.711  11.132
  611   2HE   LYS 693           HE1      LYS 693   1.822  -4.702  12.470
  612   1HZ   LYS 693           HZ2      LYS 693   4.620  -4.706  11.462
  613   2HZ   LYS 693           HZ1      LYS 693   4.083  -3.839  12.816
  614   3HZ   LYS 693           HZ3      LYS 693   4.030  -5.534  12.820
  615    H    VAL 694           HN       VAL 694   2.178  -7.643   5.754
  616    HA   VAL 694           HA       VAL 694   1.097  -5.160   4.925
  617    HB   VAL 694           HB       VAL 694   1.335  -5.898   2.639
  618   1HG1  VAL 694          3HG1      VAL 694   3.630  -6.782   4.377
  619   2HG1  VAL 694          2HG1      VAL 694   3.726  -6.461   2.644
  620   3HG1  VAL 694          1HG1      VAL 694   3.332  -5.155   3.763
  621   1HG2  VAL 694          2HG2      VAL 694   0.496  -8.177   2.843
  622   2HG2  VAL 694          1HG2      VAL 694   2.082  -8.159   2.075
  623   3HG2  VAL 694          3HG2      VAL 694   1.929  -8.633   3.766
  624    H    LYS 695           HN       LYS 695  -0.283  -8.365   5.253
  625    HA   LYS 695           HA       LYS 695  -2.678  -7.841   3.807
  626   1HB   LYS 695           HB2      LYS 695  -1.897  -9.934   5.829
  627   2HB   LYS 695           HB1      LYS 695  -3.526  -9.848   5.169
  628   1HG   LYS 695           HG2      LYS 695  -1.032 -10.128   3.502
  629   2HG   LYS 695           HG1      LYS 695  -2.054 -11.475   4.011
  630   1HD   LYS 695           HD2      LYS 695  -3.057  -9.115   2.421
  631   2HD   LYS 695           HD1      LYS 695  -2.502 -10.625   1.691
  632   1HE   LYS 695           HE2      LYS 695  -4.235 -11.866   2.755
  633   2HE   LYS 695           HE1      LYS 695  -4.684 -10.492   3.764
  634   1HZ   LYS 695           HZ1      LYS 695  -4.890 -10.434   0.811
  635   2HZ   LYS 695           HZ3      LYS 695  -6.157 -10.960   1.803
  636   3HZ   LYS 695           HZ2      LYS 695  -5.590  -9.370   1.929
  637    H    GLU 696           HN       GLU 696  -1.772  -7.592   7.220
  638    HA   GLU 696           HA       GLU 696  -4.354  -6.833   8.133
  639   1HB   GLU 696           HB2      GLU 696  -1.634  -6.286   9.340
  640   2HB   GLU 696           HB1      GLU 696  -3.175  -6.078  10.163
  641   1HG   GLU 696           HG2      GLU 696  -3.621  -8.455   9.978
  642   2HG   GLU 696           HG1      GLU 696  -2.110  -8.681   9.099
  643    H    PHE 697           HN       PHE 697  -1.494  -5.063   7.099
  644    HA   PHE 697           HA       PHE 697  -2.399  -2.455   7.590
  645   1HB   PHE 697           HB2      PHE 697  -0.064  -2.939   7.101
  646   2HB   PHE 697           HB1      PHE 697  -0.485  -3.516   5.494
  647    HD1  PHE 697           HD1      PHE 697  -0.133  -0.539   7.624
  648    HD2  PHE 697           HD2      PHE 697  -0.876  -1.998   3.697
  649    HE1  PHE 697           HE1      PHE 697   0.224   1.719   6.716
  650    HE2  PHE 697           HE2      PHE 697  -0.524   0.258   2.788
  651    HZ   PHE 697           HZ       PHE 697   0.027   2.119   4.293
  652    H    ILE 698           HN       ILE 698  -2.540  -4.424   4.627
  653    HA   ILE 698           HA       ILE 698  -3.865  -2.471   3.084
  654    HB   ILE 698           HB       ILE 698  -2.575  -4.448   2.211
  655   1HG1  ILE 698          2HG1      ILE 698  -5.308  -4.181   0.979
  656   2HG1  ILE 698          1HG1      ILE 698  -4.120  -2.880   0.925
  657   1HG2  ILE 698          1HG2      ILE 698  -3.640  -6.214   3.503
  658   2HG2  ILE 698          3HG2      ILE 698  -5.179  -5.880   2.709
  659   3HG2  ILE 698          2HG2      ILE 698  -3.822  -6.505   1.774
  660   1HD1  ILE 698          1HD1      ILE 698  -3.738  -5.651  -0.167
  661   2HD1  ILE 698          3HD1      ILE 698  -4.091  -4.200  -1.104
  662   3HD1  ILE 698          2HD1      ILE 698  -2.567  -4.335  -0.229
  663    H    ASN 699           HN       ASN 699  -5.063  -5.094   5.118
  664    HA   ASN 699           HA       ASN 699  -7.761  -5.038   4.417
  665   1HB   ASN 699           HB2      ASN 699  -7.091  -6.800   5.825
  666   2HB   ASN 699           HB1      ASN 699  -6.312  -5.711   6.966
  667   1HD2  ASN 699          1HD2      ASN 699  -7.522  -4.674   8.498
  668   2HD2  ASN 699          2HD2      ASN 699  -9.161  -5.105   8.864
  669    H    SER 700           HN       SER 700  -6.083  -3.220   6.966
  670    HA   SER 700           HA       SER 700  -8.352  -1.709   7.739
  671   1HB   SER 700           HB2      SER 700  -6.336  -2.104   9.162
  672   2HB   SER 700           HB1      SER 700  -5.435  -1.022   8.107
  673    HG   SER 700           HG       SER 700  -7.809   0.004   9.098
  674    H    TYR 701           HN       TYR 701  -5.778  -1.214   5.396
  675    HA   TYR 701           HA       TYR 701  -6.269   1.467   4.735
  676   1HB   TYR 701           HB2      TYR 701  -4.312   0.068   3.981
  677   2HB   TYR 701           HB1      TYR 701  -5.387  -0.736   2.845
  678    HD1  TYR 701           HD1      TYR 701  -6.809   1.102   1.388
  679    HD2  TYR 701           HD2      TYR 701  -2.942   1.669   3.064
  680    HE1  TYR 701           HE1      TYR 701  -6.358   2.848  -0.269
  681    HE2  TYR 701           HE2      TYR 701  -2.475   3.419   1.403
  682    HH   TYR 701           HH       TYR 701  -3.322   4.075  -0.891
  683    H    MET 702           HN       MET 702  -7.564  -1.531   3.347
  684    HA   MET 702           HA       MET 702  -9.226  -0.323   1.423
  685   1HB   MET 702           HB2      MET 702  -9.446  -3.002   2.804
  686   2HB   MET 702           HB1      MET 702 -10.380  -2.525   1.389
  687   1HG   MET 702           HG2      MET 702  -8.381  -2.317   0.076
  688   2HG   MET 702           HG1      MET 702  -7.377  -2.624   1.489
  689   1HE   MET 702           HE2      MET 702  -6.236  -4.364  -0.335
  690   2HE   MET 702           HE1      MET 702  -7.112  -5.746  -0.994
  691   3HE   MET 702           HE3      MET 702  -7.539  -4.112  -1.501
  692    H    ASP 703           HN       ASP 703  -9.837  -1.408   4.723
  693    HA   ASP 703           HA       ASP 703 -12.557  -0.883   4.944
  694   1HB   ASP 703           HB2      ASP 703 -11.276  -2.016   6.699
  695   2HB   ASP 703           HB1      ASP 703 -10.360  -0.549   7.000
  696    H    LYS 704           HN       LYS 704  -9.805   1.244   5.094
  697    HA   LYS 704           HA       LYS 704 -11.063   3.528   6.159
  698   1HB   LYS 704           HB2      LYS 704  -8.602   3.047   6.069
  699   2HB   LYS 704           HB1      LYS 704  -8.645   3.399   4.350
  700   1HG   LYS 704           HG2      LYS 704  -9.291   5.688   4.807
  701   2HG   LYS 704           HG1      LYS 704  -9.336   5.344   6.540
  702   1HD   LYS 704           HD2      LYS 704  -6.932   4.704   6.403
  703   2HD   LYS 704           HD1      LYS 704  -6.928   5.245   4.726
  704   1HE   LYS 704           HE2      LYS 704  -7.591   6.963   7.114
  705   2HE   LYS 704           HE1      LYS 704  -6.041   6.939   6.276
  706   1HZ   LYS 704           HZ1      LYS 704  -7.166   7.692   4.265
  707   2HZ   LYS 704           HZ3      LYS 704  -8.647   7.741   5.099
  708   3HZ   LYS 704           HZ2      LYS 704  -7.389   8.784   5.545
  709    H    ILE 705           HN       ILE 705 -10.698   2.335   2.847
  710    HA   ILE 705           HA       ILE 705 -11.591   4.826   1.694
  711    HB   ILE 705           HB       ILE 705 -11.350   2.210   0.220
  712   1HG1  ILE 705          2HG1      ILE 705  -9.264   2.529   1.479
  713   2HG1  ILE 705          1HG1      ILE 705  -8.999   2.757  -0.246
  714   1HG2  ILE 705          2HG2      ILE 705 -11.003   5.091  -0.616
  715   2HG2  ILE 705          1HG2      ILE 705 -10.816   3.688  -1.668
  716   3HG2  ILE 705          3HG2      ILE 705 -12.391   4.060  -0.968
  717   1HD1  ILE 705          1HD1      ILE 705  -9.043   5.183   0.082
  718   2HD1  ILE 705          3HD1      ILE 705  -9.281   4.935   1.813
  719   3HD1  ILE 705          2HD1      ILE 705  -7.785   4.405   1.045
  720    H    ILE 706           HN       ILE 706 -12.860   1.627   2.385
  721    HA   ILE 706           HA       ILE 706 -15.289   1.924   0.942
  722    HB   ILE 706           HB       ILE 706 -14.622   0.071   3.236
  723   1HG1  ILE 706          2HG1      ILE 706 -14.650  -0.404   0.247
  724   2HG1  ILE 706          1HG1      ILE 706 -13.203  -0.207   1.228
  725   1HG2  ILE 706          3HG2      ILE 706 -16.931  -0.003   1.292
  726   2HG2  ILE 706          2HG2      ILE 706 -16.540  -1.260   2.464
  727   3HG2  ILE 706          1HG2      ILE 706 -17.029   0.340   3.020
  728   1HD1  ILE 706          3HD1      ILE 706 -13.769  -2.233   2.459
  729   2HD1  ILE 706          2HD1      ILE 706 -15.217  -2.426   1.472
  730   3HD1  ILE 706          1HD1      ILE 706 -13.622  -2.539   0.731
  731    H    LEU 707           HN       LEU 707 -14.352   2.417   4.315
  732    HA   LEU 707           HA       LEU 707 -16.932   2.988   5.301
  733   1HB   LEU 707           HB2      LEU 707 -15.016   2.417   6.736
  734   2HB   LEU 707           HB1      LEU 707 -14.256   3.942   6.323
  735    HG   LEU 707           HG       LEU 707 -16.158   5.135   7.398
  736   1HD1  LEU 707          1HD1      LEU 707 -16.965   2.366   8.268
  737   2HD1  LEU 707          3HD1      LEU 707 -17.663   3.875   8.854
  738   3HD1  LEU 707          2HD1      LEU 707 -17.856   3.413   7.162
  739   1HD2  LEU 707          1HD2      LEU 707 -14.695   3.167   9.153
  740   2HD2  LEU 707          3HD2      LEU 707 -14.092   4.738   8.625
  741   3HD2  LEU 707          2HD2      LEU 707 -15.488   4.645   9.697
  742    H    LYS 708           HN       LYS 708 -14.458   5.028   3.835
  743    HA   LYS 708           HA       LYS 708 -15.734   7.489   4.462
  744   1HB   LYS 708           HB2      LYS 708 -13.343   7.379   3.938
  745   2HB   LYS 708           HB1      LYS 708 -13.717   6.861   2.300
  746   1HG   LYS 708           HG2      LYS 708 -14.729   8.981   1.799
  747   2HG   LYS 708           HG1      LYS 708 -14.556   9.503   3.476
  748   1HD   LYS 708           HD2      LYS 708 -12.272   8.840   1.619
  749   2HD   LYS 708           HD1      LYS 708 -12.836  10.469   1.994
  750   1HE   LYS 708           HE2      LYS 708 -11.756   8.479   3.989
  751   2HE   LYS 708           HE1      LYS 708 -10.863   9.840   3.316
  752   1HZ   LYS 708           HZ2      LYS 708 -13.346  10.069   4.940
  753   2HZ   LYS 708           HZ1      LYS 708 -11.772  10.323   5.520
  754   3HZ   LYS 708           HZ3      LYS 708 -12.417  11.354   4.339
  755    H    LYS 709           HN       LYS 709 -15.749   5.394   1.606
  756    HA   LYS 709           HA       LYS 709 -17.367   7.171   0.068
  757   1HB   LYS 709           HB2      LYS 709 -15.864   5.619  -1.031
  758   2HB   LYS 709           HB1      LYS 709 -16.701   4.250  -0.314
  759   1HG   LYS 709           HG2      LYS 709 -18.552   4.497  -1.699
  760   2HG   LYS 709           HG1      LYS 709 -18.151   6.168  -2.094
  761   1HD   LYS 709           HD2      LYS 709 -16.434   3.832  -2.906
  762   2HD   LYS 709           HD1      LYS 709 -17.727   4.475  -3.922
  763   1HE   LYS 709           HE2      LYS 709 -16.658   6.622  -4.022
  764   2HE   LYS 709           HE1      LYS 709 -15.440   6.117  -2.852
  765   1HZ   LYS 709           HZ1      LYS 709 -15.778   4.768  -5.472
  766   2HZ   LYS 709           HZ3      LYS 709 -14.762   6.110  -5.263
  767   3HZ   LYS 709           HZ2      LYS 709 -14.463   4.679  -4.406
  768    H    LYS 710           HN       LYS 710 -18.017   4.340   2.074
  769    HA   LYS 710           HA       LYS 710 -20.760   4.097   1.419
  770   1HB   LYS 710           HB2      LYS 710 -19.470   2.308   2.538
  771   2HB   LYS 710           HB1      LYS 710 -19.350   3.308   3.979
  772   1HG   LYS 710           HG2      LYS 710 -21.786   3.255   4.217
  773   2HG   LYS 710           HG1      LYS 710 -21.897   2.238   2.780
  774   1HD   LYS 710           HD2      LYS 710 -20.400   1.502   5.294
  775   2HD   LYS 710           HD1      LYS 710 -22.035   0.968   4.908
  776   1HE   LYS 710           HE2      LYS 710 -21.163  -0.091   2.854
  777   2HE   LYS 710           HE1      LYS 710 -19.534   0.377   3.335
  778   1HZ   LYS 710           HZ1      LYS 710 -21.343  -1.410   4.876
  779   2HZ   LYS 710           HZ3      LYS 710 -20.021  -1.917   3.940
  780   3HZ   LYS 710           HZ2      LYS 710 -19.766  -0.970   5.327
  781    H    GLN 711           HN       GLN 711 -18.989   6.156   3.578
  782    HA   GLN 711           HA       GLN 711 -21.116   7.072   5.183
  783   1HB   GLN 711           HB2      GLN 711 -18.908   7.481   5.930
  784   2HB   GLN 711           HB1      GLN 711 -18.446   8.231   4.415
  785   1HG   GLN 711           HG2      GLN 711 -20.586   9.559   5.962
  786   2HG   GLN 711           HG1      GLN 711 -18.956   9.608   6.631
  787   1HE2  GLN 711          1HE2      GLN 711 -17.741   9.543   3.944
  788   2HE2  GLN 711          2HE2      GLN 711 -17.939  11.139   3.304
  789    H    LYS 712           HN       LYS 712 -20.229   7.746   1.923
  790    HA   LYS 712           HA       LYS 712 -21.693  10.247   1.794
  791   1HB   LYS 712           HB2      LYS 712 -20.349   8.611  -0.369
  792   2HB   LYS 712           HB1      LYS 712 -21.075  10.193  -0.610
  793   1HG   LYS 712           HG2      LYS 712 -18.762   9.615   1.231
  794   2HG   LYS 712           HG1      LYS 712 -18.629  10.289  -0.393
  795   1HD   LYS 712           HD2      LYS 712 -20.127  11.555   1.904
  796   2HD   LYS 712           HD1      LYS 712 -18.516  12.019   1.358
  797   1HE   LYS 712           HE2      LYS 712 -21.009  12.115  -0.336
  798   2HE   LYS 712           HE1      LYS 712 -20.301  13.498   0.496
  799   1HZ   LYS 712           HZ1      LYS 712 -18.857  11.873  -1.524
  800   2HZ   LYS 712           HZ3      LYS 712 -19.693  13.302  -1.884
  801   3HZ   LYS 712           HZ2      LYS 712 -18.360  13.347  -0.839
  802    H    LYS 713           HN       LYS 713 -22.263   6.918   1.400
  803    HA   LYS 713           HA       LYS 713 -24.866   7.473   0.119
  804   1HB   LYS 713           HB2      LYS 713 -23.223   4.946  -0.169
  805   2HB   LYS 713           HB1      LYS 713 -24.751   5.294  -0.962
  806   1HG   LYS 713           HG2      LYS 713 -22.233   6.877  -1.402
  807   2HG   LYS 713           HG1      LYS 713 -22.743   5.525  -2.413
  808   1HD   LYS 713           HD2      LYS 713 -24.811   6.733  -2.964
  809   2HD   LYS 713           HD1      LYS 713 -24.281   8.083  -1.955
  810   1HE   LYS 713           HE2      LYS 713 -22.381   8.473  -3.382
  811   2HE   LYS 713           HE1      LYS 713 -22.752   7.034  -4.332
  812   1HZ   LYS 713           HZ3      LYS 713 -24.817   8.084  -5.041
  813   2HZ   LYS 713           HZ2      LYS 713 -24.446   9.474  -4.137
  814   3HZ   LYS 713           HZ1      LYS 713 -23.477   9.038  -5.455
  815    H    ALA 714           HN       ALA 714 -24.138   7.386   2.956
  816    HA   ALA 714           HA       ALA 714 -24.653   4.921   4.170
  817   1HB   ALA 714           HB2      ALA 714 -25.110   7.680   5.305
  818   2HB   ALA 714           HB3      ALA 714 -23.587   6.792   5.326
  819   3HB   ALA 714           HB1      ALA 714 -24.973   6.183   6.230

  No H/Q in entry =         819
  Start of MODEL    2
    1    H    VAL 622           HN       VAL 622  22.250  14.242  -1.465
    2    HA   VAL 622           HA       VAL 622  22.749  11.427  -1.134
    3    HB   VAL 622           HB       VAL 622  22.151  11.903   1.230
    4   1HG1  VAL 622          2HG1      VAL 622  24.465  11.995   0.476
    5   2HG1  VAL 622          1HG1      VAL 622  24.252  13.687   0.027
    6   3HG1  VAL 622          3HG1      VAL 622  24.162  13.208   1.721
    7   1HG2  VAL 622          2HG2      VAL 622  20.615  13.755   0.866
    8   2HG2  VAL 622          1HG2      VAL 622  21.920  14.220   1.959
    9   3HG2  VAL 622          3HG2      VAL 622  21.949  14.745   0.275
   10    H    SER 623           HN       SER 623  20.549  12.124  -2.877
   11    HA   SER 623           HA       SER 623  18.125  11.565  -1.396
   12   1HB   SER 623           HB2      SER 623  17.201  11.515  -3.827
   13   2HB   SER 623           HB1      SER 623  17.760  13.053  -3.168
   14    HG   SER 623           HG       SER 623  18.557  11.979  -5.379
   15    H    GLN 624           HN       GLN 624  19.961   9.572  -1.022
   16    HA   GLN 624           HA       GLN 624  19.821   7.420  -2.841
   17   1HB   GLN 624           HB2      GLN 624  21.591   7.691  -1.125
   18   2HB   GLN 624           HB1      GLN 624  20.404   7.351   0.127
   19   1HG   GLN 624           HG2      GLN 624  20.047   5.122  -0.869
   20   2HG   GLN 624           HG1      GLN 624  21.320   5.472  -2.038
   21   1HE2  GLN 624          1HE2      GLN 624  21.419   6.500   1.302
   22   2HE2  GLN 624          2HE2      GLN 624  22.716   5.462   1.780
   23    H    SER 625           HN       SER 625  17.939   8.297  -0.004
   24    HA   SER 625           HA       SER 625  16.548   5.889   0.307
   25   1HB   SER 625           HB2      SER 625  15.525   8.644   1.008
   26   2HB   SER 625           HB1      SER 625  15.085   7.108   1.759
   27    HG   SER 625           HG       SER 625  17.041   6.998   2.724
   28    H    GLN 626           HN       GLN 626  15.912   8.703  -1.724
   29    HA   GLN 626           HA       GLN 626  13.293   8.084  -2.494
   30   1HB   GLN 626           HB2      GLN 626  14.407  10.234  -2.986
   31   2HB   GLN 626           HB1      GLN 626  15.447   9.418  -4.147
   32   1HG   GLN 626           HG2      GLN 626  13.440   8.802  -5.449
   33   2HG   GLN 626           HG1      GLN 626  12.460   9.738  -4.320
   34   1HE2  GLN 626          1HE2      GLN 626  14.824   9.867  -6.851
   35   2HE2  GLN 626          2HE2      GLN 626  14.669  11.553  -7.187
   36    H    ARG 627           HN       ARG 627  16.402   7.031  -3.786
   37    HA   ARG 627           HA       ARG 627  15.308   5.533  -5.943
   38   1HB   ARG 627           HB2      ARG 627  17.619   6.257  -6.047
   39   2HB   ARG 627           HB1      ARG 627  17.999   5.389  -4.566
   40   1HG   ARG 627           HG2      ARG 627  17.579   3.271  -5.679
   41   2HG   ARG 627           HG1      ARG 627  17.143   4.126  -7.158
   42   1HD   ARG 627           HD2      ARG 627  19.378   4.979  -7.387
   43   2HD   ARG 627           HD1      ARG 627  19.836   4.313  -5.817
   44    HE   ARG 627           HE       ARG 627  19.328   2.074  -6.877
   45   1HH1  ARG 627          1HH1      ARG 627  20.449   4.828  -8.743
   46   2HH1  ARG 627          2HH1      ARG 627  21.139   3.841 -10.003
   47   1HH2  ARG 627          1HH2      ARG 627  20.240   0.795  -8.506
   48   2HH2  ARG 627          2HH2      ARG 627  21.023   1.540  -9.861
   49    H    LEU 628           HN       LEU 628  16.094   4.900  -2.604
   50    HA   LEU 628           HA       LEU 628  15.874   2.077  -2.697
   51   1HB   LEU 628           HB2      LEU 628  16.743   3.824  -0.838
   52   2HB   LEU 628           HB1      LEU 628  15.148   3.488  -0.198
   53    HG   LEU 628           HG       LEU 628  16.904   2.073   0.800
   54   1HD1  LEU 628          1HD1      LEU 628  14.830   0.644  -0.819
   55   2HD1  LEU 628          3HD1      LEU 628  15.805  -0.111   0.439
   56   3HD1  LEU 628          2HD1      LEU 628  14.704   1.200   0.853
   57   1HD2  LEU 628          2HD2      LEU 628  18.365   1.903  -1.144
   58   2HD2  LEU 628          1HD2      LEU 628  17.943   0.308  -0.515
   59   3HD2  LEU 628          3HD2      LEU 628  17.149   0.924  -1.965
   60    H    GLU 629           HN       GLU 629  13.554   4.682  -2.061
   61    HA   GLU 629           HA       GLU 629  11.373   3.051  -1.367
   62   1HB   GLU 629           HB2      GLU 629  11.417   5.771  -2.693
   63   2HB   GLU 629           HB1      GLU 629   9.954   4.989  -2.111
   64   1HG   GLU 629           HG2      GLU 629  10.954   4.930   0.160
   65   2HG   GLU 629           HG1      GLU 629  12.316   5.859  -0.464
   66    H    HIS 630           HN       HIS 630  12.608   4.086  -4.492
   67    HA   HIS 630           HA       HIS 630  10.591   2.966  -6.098
   68   1HB   HIS 630           HB2      HIS 630  12.243   4.548  -6.983
   69   2HB   HIS 630           HB1      HIS 630  13.525   3.370  -6.726
   70    HD1  HIS 630           HD1      HIS 630  10.847   4.331  -9.113
   71    HD2  HIS 630           HD2      HIS 630  13.526   1.197  -8.561
   72    HE1  HIS 630           HE1      HIS 630  10.847   3.048 -11.273
   73    HE2  HIS 630           HE2      HIS 630  12.627   1.290 -10.983
   74    H    ASN 631           HN       ASN 631  13.584   1.581  -4.763
   75    HA   ASN 631           HA       ASN 631  13.266  -0.971  -5.976
   76   1HB   ASN 631           HB2      ASN 631  14.822  -0.044  -3.566
   77   2HB   ASN 631           HB1      ASN 631  14.740  -1.745  -4.007
   78   1HD2  ASN 631          1HD2      ASN 631  15.580  -2.403  -6.024
   79   2HD2  ASN 631          2HD2      ASN 631  16.831  -1.480  -6.794
   80    H    TRP 632           HN       TRP 632  12.310   0.370  -2.854
   81    HA   TRP 632           HA       TRP 632  10.997  -1.849  -1.813
   82   1HB   TRP 632           HB2      TRP 632  10.909   1.056  -1.430
   83   2HB   TRP 632           HB1      TRP 632   9.410   0.232  -1.019
   84    HD1  TRP 632           HD1      TRP 632  12.751   1.054   0.371
   85    HE1  TRP 632           HE1      TRP 632  13.081  -0.142   2.631
   86    HE3  TRP 632           HE3      TRP 632   8.811  -2.154   0.134
   87    HZ2  TRP 632           HZ2      TRP 632  11.797  -2.192   4.120
   88    HZ3  TRP 632           HZ3      TRP 632   8.419  -3.695   1.996
   89    HH2  TRP 632           HH2      TRP 632   9.863  -3.719   3.937
   90    H    ASN 633           HN       ASN 633   9.868   0.587  -4.124
   91    HA   ASN 633           HA       ASN 633   7.194  -0.205  -4.302
   92   1HB   ASN 633           HB2      ASN 633   8.964   0.921  -6.484
   93   2HB   ASN 633           HB1      ASN 633   7.217   0.776  -6.590
   94   1HD2  ASN 633          1HD2      ASN 633   7.096   1.500  -3.640
   95   2HD2  ASN 633          2HD2      ASN 633   7.273   3.213  -3.631
   96    H    LYS 634           HN       LYS 634  10.065  -1.400  -5.953
   97    HA   LYS 634           HA       LYS 634   8.853  -3.199  -7.712
   98   1HB   LYS 634           HB2      LYS 634  11.199  -2.661  -7.906
   99   2HB   LYS 634           HB1      LYS 634  11.529  -3.306  -6.306
  100   1HG   LYS 634           HG2      LYS 634  12.290  -4.822  -8.048
  101   2HG   LYS 634           HG1      LYS 634  11.003  -5.553  -7.089
  102   1HD   LYS 634           HD2      LYS 634  10.598  -6.047  -9.395
  103   2HD   LYS 634           HD1      LYS 634   9.393  -4.874  -8.863
  104   1HE   LYS 634           HE2      LYS 634  10.822  -3.076  -9.830
  105   2HE   LYS 634           HE1      LYS 634  11.869  -4.334 -10.491
  106   1HZ   LYS 634           HZ3      LYS 634   9.803  -5.222 -11.594
  107   2HZ   LYS 634           HZ2      LYS 634   9.042  -3.771 -11.161
  108   3HZ   LYS 634           HZ1      LYS 634  10.383  -3.746 -12.197
  109    H    PHE 635           HN       PHE 635   9.897  -3.612  -4.360
  110    HA   PHE 635           HA       PHE 635   9.273  -6.326  -4.069
  111   1HB   PHE 635           HB2      PHE 635  10.607  -5.236  -2.407
  112   2HB   PHE 635           HB1      PHE 635   9.337  -4.066  -2.067
  113    HD1  PHE 635           HD1      PHE 635   8.463  -4.345   0.019
  114    HD2  PHE 635           HD2      PHE 635   9.474  -7.797  -2.249
  115    HE1  PHE 635           HE1      PHE 635   7.625  -5.775   1.839
  116    HE2  PHE 635           HE2      PHE 635   8.644  -9.234  -0.435
  117    HZ   PHE 635           HZ       PHE 635   7.718  -8.225   1.611
  118    H    PHE 636           HN       PHE 636   7.279  -3.480  -3.225
  119    HA   PHE 636           HA       PHE 636   5.085  -5.044  -2.373
  120   1HB   PHE 636           HB2      PHE 636   5.308  -2.139  -3.146
  121   2HB   PHE 636           HB1      PHE 636   3.813  -2.858  -2.555
  122    HD1  PHE 636           HD1      PHE 636   4.749  -4.616  -0.406
  123    HD2  PHE 636           HD2      PHE 636   6.036  -0.718  -1.499
  124    HE1  PHE 636           HE1      PHE 636   5.489  -4.213   1.894
  125    HE2  PHE 636           HE2      PHE 636   6.784  -0.312   0.790
  126    HZ   PHE 636           HZ       PHE 636   6.484  -2.153   2.511
  127    H    ALA 637           HN       ALA 637   5.963  -3.643  -5.461
  128    HA   ALA 637           HA       ALA 637   3.528  -3.968  -6.808
  129   1HB   ALA 637           HB3      ALA 637   6.299  -4.138  -7.969
  130   2HB   ALA 637           HB2      ALA 637   4.810  -3.803  -8.851
  131   3HB   ALA 637           HB1      ALA 637   5.412  -2.645  -7.664
  132    H    SER 638           HN       SER 638   5.833  -6.291  -5.779
  133    HA   SER 638           HA       SER 638   5.352  -8.274  -7.736
  134   1HB   SER 638           HB2      SER 638   7.361  -8.223  -6.283
  135   2HB   SER 638           HB1      SER 638   6.346  -8.623  -4.900
  136    HG   SER 638           HG       SER 638   6.233 -10.629  -5.532
  137    H    PHE 639           HN       PHE 639   3.897  -7.654  -4.537
  138    HA   PHE 639           HA       PHE 639   2.077  -9.894  -5.075
  139   1HB   PHE 639           HB2      PHE 639   1.640  -9.835  -2.572
  140   2HB   PHE 639           HB1      PHE 639   3.195 -10.448  -3.110
  141    HD1  PHE 639           HD1      PHE 639   1.476  -7.660  -1.423
  142    HD2  PHE 639           HD2      PHE 639   5.217  -9.307  -2.625
  143    HE1  PHE 639           HE1      PHE 639   2.641  -6.133   0.107
  144    HE2  PHE 639           HE2      PHE 639   6.381  -7.775  -1.102
  145    HZ   PHE 639           HZ       PHE 639   5.093  -6.198   0.276
  146    H    VAL 640           HN       VAL 640   2.151  -6.516  -4.109
  147    HA   VAL 640           HA       VAL 640  -0.407  -6.301  -3.074
  148    HB   VAL 640           HB       VAL 640   1.381  -4.285  -4.395
  149   1HG1  VAL 640          3HG1      VAL 640  -1.347  -3.763  -3.217
  150   2HG1  VAL 640          2HG1      VAL 640  -0.183  -2.531  -3.706
  151   3HG1  VAL 640          1HG1      VAL 640  -0.898  -3.598  -4.914
  152   1HG2  VAL 640          2HG2      VAL 640   1.982  -5.076  -2.168
  153   2HG2  VAL 640          1HG2      VAL 640   1.487  -3.384  -2.123
  154   3HG2  VAL 640          3HG2      VAL 640   0.380  -4.641  -1.571
  155    HA   PRO 641           HA       PRO 641  -2.130  -4.904  -7.404
  156   1HB   PRO 641           HB2      PRO 641  -0.269  -6.260  -9.267
  157   2HB   PRO 641           HB1      PRO 641  -0.983  -4.647  -9.363
  158   1HG   PRO 641           HG2      PRO 641   1.588  -4.965  -8.751
  159   2HG   PRO 641           HG1      PRO 641   0.609  -3.715  -7.958
  160   1HD   PRO 641           HD2      PRO 641   1.455  -6.399  -6.930
  161   2HD   PRO 641           HD1      PRO 641   1.409  -4.835  -6.088
  162    H    ASN 642           HN       ASN 642  -0.557  -8.047  -7.074
  163    HA   ASN 642           HA       ASN 642  -2.489  -9.404  -8.703
  164   1HB   ASN 642           HB2      ASN 642  -0.360 -10.464  -6.839
  165   2HB   ASN 642           HB1      ASN 642  -1.370 -11.478  -7.867
  166   1HD2  ASN 642          1HD2      ASN 642   1.228  -9.200  -7.753
  167   2HD2  ASN 642          2HD2      ASN 642   1.760  -9.398  -9.387
  168    H    LEU 643           HN       LEU 643  -2.065  -8.814  -5.272
  169    HA   LEU 643           HA       LEU 643  -4.086 -10.655  -4.446
  170   1HB   LEU 643           HB2      LEU 643  -2.448  -8.560  -3.130
  171   2HB   LEU 643           HB1      LEU 643  -3.952  -8.985  -2.336
  172    HG   LEU 643           HG       LEU 643  -3.222 -11.339  -2.234
  173   1HD1  LEU 643          3HD1      LEU 643  -0.663 -10.286  -3.421
  174   2HD1  LEU 643          2HD1      LEU 643  -0.862 -11.883  -2.697
  175   3HD1  LEU 643          1HD1      LEU 643  -1.766 -11.453  -4.151
  176   1HD2  LEU 643          2HD2      LEU 643  -1.277  -9.358  -1.059
  177   2HD2  LEU 643          1HD2      LEU 643  -2.808  -9.872  -0.347
  178   3HD2  LEU 643          3HD2      LEU 643  -1.488 -11.027  -0.531
  179    H    ILE 644           HN       ILE 644  -4.028  -7.100  -4.673
  180    HA   ILE 644           HA       ILE 644  -6.761  -6.886  -3.858
  181    HB   ILE 644           HB       ILE 644  -5.029  -4.735  -5.042
  182   1HG1  ILE 644          2HG1      ILE 644  -5.451  -5.550  -2.158
  183   2HG1  ILE 644          1HG1      ILE 644  -3.984  -5.833  -3.105
  184   1HG2  ILE 644          2HG2      ILE 644  -7.401  -4.149  -4.990
  185   2HG2  ILE 644          1HG2      ILE 644  -7.475  -4.572  -3.279
  186   3HG2  ILE 644          3HG2      ILE 644  -6.498  -3.202  -3.807
  187   1HD1  ILE 644          1HD1      ILE 644  -3.648  -3.417  -3.323
  188   2HD1  ILE 644          3HD1      ILE 644  -5.084  -3.142  -2.334
  189   3HD1  ILE 644          2HD1      ILE 644  -3.675  -3.943  -1.639
  190    H    LYS 645           HN       LYS 645  -5.204  -7.193  -6.933
  191    HA   LYS 645           HA       LYS 645  -6.900  -6.040  -8.737
  192   1HB   LYS 645           HB2      LYS 645  -4.941  -7.307  -9.413
  193   2HB   LYS 645           HB1      LYS 645  -5.684  -8.805  -8.874
  194   1HG   LYS 645           HG2      LYS 645  -7.364  -8.627 -10.611
  195   2HG   LYS 645           HG1      LYS 645  -6.696  -7.075 -11.121
  196   1HD   LYS 645           HD2      LYS 645  -5.163  -9.671 -11.126
  197   2HD   LYS 645           HD1      LYS 645  -5.980  -8.999 -12.537
  198   1HE   LYS 645           HE2      LYS 645  -3.870  -7.524 -10.976
  199   2HE   LYS 645           HE1      LYS 645  -3.514  -8.527 -12.381
  200   1HZ   LYS 645           HZ3      LYS 645  -5.411  -6.241 -12.441
  201   2HZ   LYS 645           HZ2      LYS 645  -3.773  -6.113 -12.866
  202   3HZ   LYS 645           HZ1      LYS 645  -4.807  -7.116 -13.762
  203    H    LYS 646           HN       LYS 646  -7.483  -8.959  -6.861
  204    HA   LYS 646           HA       LYS 646 -10.308  -8.637  -7.057
  205   1HB   LYS 646           HB2      LYS 646  -9.790  -9.728  -9.241
  206   2HB   LYS 646           HB1      LYS 646  -9.122 -11.095  -8.363
  207   1HG   LYS 646           HG2      LYS 646 -11.275 -11.611  -7.423
  208   2HG   LYS 646           HG1      LYS 646 -11.971 -10.151  -8.133
  209   1HD   LYS 646           HD2      LYS 646 -11.527 -11.005 -10.363
  210   2HD   LYS 646           HD1      LYS 646 -10.784 -12.450  -9.681
  211   1HE   LYS 646           HE2      LYS 646 -12.914 -13.066  -8.657
  212   2HE   LYS 646           HE1      LYS 646 -13.658 -11.611  -9.320
  213   1HZ   LYS 646           HZ2      LYS 646 -12.474 -13.817 -10.925
  214   2HZ   LYS 646           HZ1      LYS 646 -14.132 -13.569 -10.671
  215   3HZ   LYS 646           HZ3      LYS 646 -13.228 -12.431 -11.543
  216    H    ASN 647           HN       ASN 647  -9.847  -8.520  -4.759
  217    HA   ASN 647           HA       ASN 647  -9.201 -11.165  -3.581
  218   1HB   ASN 647           HB2      ASN 647  -7.601  -9.094  -3.319
  219   2HB   ASN 647           HB1      ASN 647  -8.788  -8.556  -2.141
  220   1HD2  ASN 647          1HD2      ASN 647  -6.404 -10.959  -2.922
  221   2HD2  ASN 647          2HD2      ASN 647  -6.234 -11.595  -1.322
  222    HA   PRO 648           HA       PRO 648 -13.090 -11.101  -1.247
  223   1HB   PRO 648           HB2      PRO 648 -11.295 -11.167   1.146
  224   2HB   PRO 648           HB1      PRO 648 -12.754 -12.110   0.811
  225   1HG   PRO 648           HG2      PRO 648 -10.329 -13.182   0.508
  226   2HG   PRO 648           HG1      PRO 648 -11.647 -13.564  -0.614
  227   1HD   PRO 648           HD2      PRO 648  -9.247 -11.874  -1.020
  228   2HD   PRO 648           HD1      PRO 648 -10.201 -12.788  -2.204
  229    H    GLN 649           HN       GLN 649 -10.373  -8.990  -0.310
  230    HA   GLN 649           HA       GLN 649 -12.173  -7.162   1.050
  231   1HB   GLN 649           HB2      GLN 649 -10.037  -5.818   1.305
  232   2HB   GLN 649           HB1      GLN 649 -10.120  -7.368   2.130
  233   1HG   GLN 649           HG2      GLN 649  -8.991  -8.167  -0.152
  234   2HG   GLN 649           HG1      GLN 649  -8.426  -6.496  -0.117
  235   1HE2  GLN 649          1HE2      GLN 649  -7.164  -5.787   1.614
  236   2HE2  GLN 649          2HE2      GLN 649  -6.299  -6.899   2.611
  237    H    SER 650           HN       SER 650 -10.672  -7.555  -2.018
  238    HA   SER 650           HA       SER 650 -11.193  -4.952  -3.037
  239   1HB   SER 650           HB2      SER 650 -10.975  -7.523  -4.597
  240   2HB   SER 650           HB1      SER 650 -10.620  -5.885  -5.156
  241    HG   SER 650           HG       SER 650  -8.670  -6.322  -4.547
  242    H    LYS 651           HN       LYS 651 -12.992  -7.936  -2.771
  243    HA   LYS 651           HA       LYS 651 -15.176  -7.244  -4.427
  244   1HB   LYS 651           HB2      LYS 651 -14.685  -9.543  -3.595
  245   2HB   LYS 651           HB1      LYS 651 -15.154  -9.031  -1.981
  246   1HG   LYS 651           HG2      LYS 651 -17.422  -8.589  -2.777
  247   2HG   LYS 651           HG1      LYS 651 -16.948  -9.102  -4.399
  248   1HD   LYS 651           HD2      LYS 651 -16.447 -11.332  -3.568
  249   2HD   LYS 651           HD1      LYS 651 -16.845 -10.825  -1.927
  250   1HE   LYS 651           HE2      LYS 651 -19.142 -10.351  -2.646
  251   2HE   LYS 651           HE1      LYS 651 -18.734 -10.901  -4.272
  252   1HZ   LYS 651           HZ3      LYS 651 -18.511 -12.601  -1.847
  253   2HZ   LYS 651           HZ2      LYS 651 -19.863 -12.593  -2.873
  254   3HZ   LYS 651           HZ1      LYS 651 -18.353 -13.094  -3.463
  255    H    GLN 652           HN       GLN 652 -14.122  -6.111  -1.413
  256    HA   GLN 652           HA       GLN 652 -16.736  -5.015  -0.679
  257   1HB   GLN 652           HB2      GLN 652 -14.092  -4.868   0.791
  258   2HB   GLN 652           HB1      GLN 652 -15.653  -4.349   1.409
  259   1HG   GLN 652           HG2      GLN 652 -16.450  -6.653   1.325
  260   2HG   GLN 652           HG1      GLN 652 -14.885  -7.171   0.710
  261   1HE2  GLN 652          1HE2      GLN 652 -13.440  -5.283   2.417
  262   2HE2  GLN 652          2HE2      GLN 652 -13.480  -5.957   4.007
  263    H    PHE 653           HN       PHE 653 -13.806  -4.277  -2.249
  264    HA   PHE 653           HA       PHE 653 -13.692  -1.464  -1.744
  265   1HB   PHE 653           HB2      PHE 653 -12.332  -3.456  -3.386
  266   2HB   PHE 653           HB1      PHE 653 -12.475  -1.893  -4.176
  267    HD1  PHE 653           HD1      PHE 653 -12.134   0.013  -2.067
  268    HD2  PHE 653           HD2      PHE 653 -10.183  -3.717  -2.655
  269    HE1  PHE 653           HE1      PHE 653 -10.248   0.794  -0.738
  270    HE2  PHE 653           HE2      PHE 653  -8.286  -2.935  -1.311
  271    HZ   PHE 653           HZ       PHE 653  -8.194  -0.602  -0.595
  272    H    ASP 654           HN       ASP 654 -14.132   0.216  -3.196
  273    HA   ASP 654           HA       ASP 654 -16.080  -0.366  -5.294
  274   1HB   ASP 654           HB2      ASP 654 -15.265   2.223  -3.957
  275   2HB   ASP 654           HB1      ASP 654 -16.272   2.170  -5.401
  276    H    HIS 655           HN       HIS 655 -15.670   1.178  -7.296
  277    HA   HIS 655           HA       HIS 655 -13.379  -0.015  -8.462
  278   1HB   HIS 655           HB2      HIS 655 -15.432   0.563  -9.741
  279   2HB   HIS 655           HB1      HIS 655 -15.032   2.270  -9.566
  280    HD1  HIS 655           HD1      HIS 655 -13.432   3.255 -11.251
  281    HD2  HIS 655           HD2      HIS 655 -13.577  -0.900 -11.399
  282    HE1  HIS 655           HE1      HIS 655 -12.121   2.600 -13.294
  283    HE2  HIS 655           HE2      HIS 655 -12.468   0.114 -13.504
  284    H    GLU 656           HN       GLU 656 -14.094   3.287  -7.474
  285    HA   GLU 656           HA       GLU 656 -11.771   4.494  -8.453
  286   1HB   GLU 656           HB2      GLU 656 -12.287   6.316  -6.834
  287   2HB   GLU 656           HB1      GLU 656 -13.659   5.843  -7.826
  288   1HG   GLU 656           HG2      GLU 656 -14.559   4.536  -5.976
  289   2HG   GLU 656           HG1      GLU 656 -13.175   4.981  -4.981
  290    H    ASN 657           HN       ASN 657 -12.361   2.737  -5.486
  291    HA   ASN 657           HA       ASN 657 -10.070   3.756  -4.110
  292   1HB   ASN 657           HB2      ASN 657 -11.574   1.224  -3.490
  293   2HB   ASN 657           HB1      ASN 657 -10.531   2.128  -2.408
  294   1HD2  ASN 657          1HD2      ASN 657 -13.081   1.330  -1.808
  295   2HD2  ASN 657          2HD2      ASN 657 -14.073   2.723  -1.601
  296    H    ILE 658           HN       ILE 658 -10.782   0.783  -5.903
  297    HA   ILE 658           HA       ILE 658  -8.721  -0.744  -4.816
  298    HB   ILE 658           HB       ILE 658 -10.659  -1.087  -6.933
  299   1HG1  ILE 658          2HG1      ILE 658  -9.213  -2.900  -5.000
  300   2HG1  ILE 658          1HG1      ILE 658 -10.839  -2.246  -4.841
  301   1HG2  ILE 658          3HG2      ILE 658  -8.716  -1.267  -8.397
  302   2HG2  ILE 658          2HG2      ILE 658  -8.009  -2.475  -7.323
  303   3HG2  ILE 658          1HG2      ILE 658  -9.503  -2.832  -8.191
  304   1HD1  ILE 658          2HD1      ILE 658  -9.983  -4.219  -6.941
  305   2HD1  ILE 658          1HD1      ILE 658 -10.819  -4.615  -5.437
  306   3HD1  ILE 658          3HD1      ILE 658 -11.617  -3.618  -6.656
  307    H    LYS 659           HN       LYS 659  -8.657   1.175  -7.824
  308    HA   LYS 659           HA       LYS 659  -6.056   0.263  -8.538
  309   1HB   LYS 659           HB2      LYS 659  -7.625   1.168 -10.203
  310   2HB   LYS 659           HB1      LYS 659  -7.523   2.750  -9.441
  311   1HG   LYS 659           HG2      LYS 659  -5.244   2.994 -10.069
  312   2HG   LYS 659           HG1      LYS 659  -5.148   1.315 -10.597
  313   1HD   LYS 659           HD2      LYS 659  -6.739   1.783 -12.386
  314   2HD   LYS 659           HD1      LYS 659  -6.855   3.461 -11.851
  315   1HE   LYS 659           HE2      LYS 659  -5.332   3.152 -13.780
  316   2HE   LYS 659           HE1      LYS 659  -4.539   3.844 -12.368
  317   1HZ   LYS 659           HZ3      LYS 659  -4.429   0.972 -13.134
  318   2HZ   LYS 659           HZ2      LYS 659  -3.207   2.107 -13.449
  319   3HZ   LYS 659           HZ1      LYS 659  -3.597   1.703 -11.850
  320    H    GLN 660           HN       GLN 660  -7.294   3.024  -6.768
  321    HA   GLN 660           HA       GLN 660  -4.787   4.361  -6.580
  322   1HB   GLN 660           HB2      GLN 660  -7.343   4.677  -5.005
  323   2HB   GLN 660           HB1      GLN 660  -5.948   5.739  -4.854
  324   1HG   GLN 660           HG2      GLN 660  -6.157   6.407  -7.167
  325   2HG   GLN 660           HG1      GLN 660  -7.490   5.279  -7.398
  326   1HE2  GLN 660          1HE2      GLN 660  -8.879   6.911  -8.030
  327   2HE2  GLN 660          2HE2      GLN 660  -9.530   8.064  -6.914
  328    H    CYS 661           HN       CYS 661  -6.515   2.043  -4.573
  329    HA   CYS 661           HA       CYS 661  -4.961   2.223  -2.258
  330   1HB   CYS 661           HB2      CYS 661  -6.957   0.957  -2.150
  331   2HB   CYS 661           HB1      CYS 661  -6.467  -0.085  -3.473
  332    HG   CYS 661           HG       CYS 661  -4.179  -0.458  -1.257
  333    H    ALA 662           HN       ALA 662  -4.585  -0.072  -4.983
  334    HA   ALA 662           HA       ALA 662  -2.234  -1.280  -4.165
  335   1HB   ALA 662           HB1      ALA 662  -3.041  -0.620  -6.997
  336   2HB   ALA 662           HB2      ALA 662  -3.562  -2.034  -6.081
  337   3HB   ALA 662           HB3      ALA 662  -1.862  -1.837  -6.507
  338    H    LYS 663           HN       LYS 663  -2.639   1.651  -6.103
  339    HA   LYS 663           HA       LYS 663   0.042   2.257  -6.555
  340   1HB   LYS 663           HB2      LYS 663  -1.776   3.396  -7.694
  341   2HB   LYS 663           HB1      LYS 663  -2.341   4.082  -6.180
  342   1HG   LYS 663           HG2      LYS 663  -0.250   5.365  -6.009
  343   2HG   LYS 663           HG1      LYS 663   0.250   4.713  -7.572
  344   1HD   LYS 663           HD2      LYS 663  -0.688   6.886  -7.934
  345   2HD   LYS 663           HD1      LYS 663  -1.816   5.687  -8.566
  346   1HE   LYS 663           HE2      LYS 663  -3.091   7.325  -7.391
  347   2HE   LYS 663           HE1      LYS 663  -3.080   5.860  -6.413
  348   1HZ   LYS 663           HZ2      LYS 663  -1.234   8.144  -5.973
  349   2HZ   LYS 663           HZ1      LYS 663  -2.709   7.952  -5.152
  350   3HZ   LYS 663           HZ3      LYS 663  -1.474   6.810  -4.956
  351    H    ASP 664           HN       ASP 664  -2.081   3.284  -3.895
  352    HA   ASP 664           HA       ASP 664  -0.079   4.930  -2.728
  353   1HB   ASP 664           HB2      ASP 664  -2.775   4.021  -1.745
  354   2HB   ASP 664           HB1      ASP 664  -1.715   5.057  -0.793
  355    H    ILE 665           HN       ILE 665  -1.293   1.674  -1.958
  356    HA   ILE 665           HA       ILE 665   0.029   1.407   0.508
  357    HB   ILE 665           HB       ILE 665  -1.698  -0.166  -0.136
  358   1HG1  ILE 665          2HG1      ILE 665   0.934  -1.666   0.125
  359   2HG1  ILE 665          1HG1      ILE 665   0.045  -0.934   1.471
  360   1HG2  ILE 665          3HG2      ILE 665   0.219  -1.126  -2.241
  361   2HG2  ILE 665          2HG2      ILE 665  -1.309  -1.898  -1.816
  362   3HG2  ILE 665          1HG2      ILE 665  -1.302  -0.276  -2.509
  363   1HD1  ILE 665          2HD1      ILE 665  -1.890  -2.386   0.867
  364   2HD1  ILE 665          1HD1      ILE 665  -0.843  -3.190  -0.300
  365   3HD1  ILE 665          3HD1      ILE 665  -0.457  -3.256   1.422
  366    H    VAL 666           HN       VAL 666   1.134   0.805  -2.789
  367    HA   VAL 666           HA       VAL 666   3.599  -0.378  -2.106
  368    HB   VAL 666           HB       VAL 666   2.804   1.170  -4.582
  369   1HG1  VAL 666          2HG1      VAL 666   5.214  -0.571  -4.086
  370   2HG1  VAL 666          1HG1      VAL 666   4.723   0.060  -5.658
  371   3HG1  VAL 666          3HG1      VAL 666   5.217   1.169  -4.376
  372   1HG2  VAL 666          1HG2      VAL 666   1.488  -0.850  -4.205
  373   2HG2  VAL 666          3HG2      VAL 666   2.558  -1.041  -5.593
  374   3HG2  VAL 666          2HG2      VAL 666   2.971  -1.794  -4.052
  375    H    LYS 667           HN       LYS 667   2.697   2.999  -2.784
  376    HA   LYS 667           HA       LYS 667   5.387   3.929  -2.457
  377   1HB   LYS 667           HB2      LYS 667   3.802   5.042  -3.953
  378   2HB   LYS 667           HB1      LYS 667   2.808   5.487  -2.573
  379   1HG   LYS 667           HG2      LYS 667   4.178   7.354  -3.338
  380   2HG   LYS 667           HG1      LYS 667   4.599   6.869  -1.694
  381   1HD   LYS 667           HD2      LYS 667   6.489   5.544  -2.640
  382   2HD   LYS 667           HD1      LYS 667   6.101   6.211  -4.226
  383   1HE   LYS 667           HE2      LYS 667   7.910   7.471  -3.233
  384   2HE   LYS 667           HE1      LYS 667   6.467   8.479  -3.334
  385   1HZ   LYS 667           HZ3      LYS 667   7.428   7.077  -0.895
  386   2HZ   LYS 667           HZ2      LYS 667   7.585   8.734  -1.207
  387   3HZ   LYS 667           HZ1      LYS 667   6.045   8.053  -0.989
  388    H    ILE 668           HN       ILE 668   2.553   3.829  -0.319
  389    HA   ILE 668           HA       ILE 668   3.746   5.667   1.534
  390    HB   ILE 668           HB       ILE 668   1.274   5.504   1.245
  391   1HG1  ILE 668          2HG1      ILE 668   2.290   5.016   4.053
  392   2HG1  ILE 668          1HG1      ILE 668   2.324   6.564   3.214
  393   1HG2  ILE 668          3HG2      ILE 668   1.578   2.936   2.801
  394   2HG2  ILE 668          2HG2      ILE 668   0.052   3.747   2.444
  395   3HG2  ILE 668          1HG2      ILE 668   1.028   3.084   1.132
  396   1HD1  ILE 668          1HD1      ILE 668  -0.143   5.017   3.968
  397   2HD1  ILE 668          3HD1      ILE 668   0.485   6.445   4.786
  398   3HD1  ILE 668          2HD1      ILE 668  -0.109   6.570   3.131
  399    H    LEU 669           HN       LEU 669   3.398   2.137   1.388
  400    HA   LEU 669           HA       LEU 669   4.153   1.697   4.071
  401   1HB   LEU 669           HB2      LEU 669   3.193   0.094   2.095
  402   2HB   LEU 669           HB1      LEU 669   4.874  -0.404   2.135
  403    HG   LEU 669           HG       LEU 669   3.055  -0.386   4.547
  404   1HD1  LEU 669          3HD1      LEU 669   3.868  -2.665   2.753
  405   2HD1  LEU 669          2HD1      LEU 669   2.994  -2.822   4.276
  406   3HD1  LEU 669          1HD1      LEU 669   2.249  -1.984   2.916
  407   1HD2  LEU 669          1HD2      LEU 669   5.467  -0.197   5.042
  408   2HD2  LEU 669          3HD2      LEU 669   4.775  -1.720   5.603
  409   3HD2  LEU 669          2HD2      LEU 669   5.751  -1.683   4.137
  410    H    THR 670           HN       THR 670   6.028   1.898   1.065
  411    HA   THR 670           HA       THR 670   8.511   1.282   2.270
  412    HB   THR 670           HB       THR 670   8.488   1.132  -0.083
  413    HG1  THR 670           HG1      THR 670  10.271   2.520   1.160
  414   1HG2  THR 670          2HG2      THR 670   6.661   2.684  -0.573
  415   2HG2  THR 670          1HG2      THR 670   7.715   4.048  -0.196
  416   3HG2  THR 670          3HG2      THR 670   8.070   3.016  -1.581
  417    H    THR 671           HN       THR 671   6.772   4.338   1.816
  418    HA   THR 671           HA       THR 671   8.844   5.996   2.758
  419    HB   THR 671           HB       THR 671   5.849   6.401   2.883
  420    HG1  THR 671           HG1      THR 671   7.886   6.886   0.989
  421   1HG2  THR 671          1HG2      THR 671   6.996   7.848   4.504
  422   2HG2  THR 671          3HG2      THR 671   8.083   8.410   3.235
  423   3HG2  THR 671          2HG2      THR 671   6.362   8.786   3.153
  424    H    LYS 672           HN       LYS 672   6.234   4.288   4.421
  425    HA   LYS 672           HA       LYS 672   6.786   5.241   7.011
  426   1HB   LYS 672           HB2      LYS 672   4.684   4.136   6.444
  427   2HB   LYS 672           HB1      LYS 672   5.538   2.636   6.110
  428   1HG   LYS 672           HG2      LYS 672   6.182   2.466   8.448
  429   2HG   LYS 672           HG1      LYS 672   5.367   3.994   8.792
  430   1HD   LYS 672           HD2      LYS 672   3.232   3.024   8.141
  431   2HD   LYS 672           HD1      LYS 672   4.029   1.504   7.727
  432   1HE   LYS 672           HE2      LYS 672   4.705   1.214  10.049
  433   2HE   LYS 672           HE1      LYS 672   3.956   2.754  10.473
  434   1HZ   LYS 672           HZ3      LYS 672   2.516   0.388   9.388
  435   2HZ   LYS 672           HZ2      LYS 672   2.539   0.858  11.020
  436   3HZ   LYS 672           HZ1      LYS 672   1.811   1.858   9.859
  437    H    GLU 673           HN       GLU 673   7.856   2.332   5.276
  438    HA   GLU 673           HA       GLU 673   9.407   1.207   7.312
  439   1HB   GLU 673           HB2      GLU 673   9.804   1.090   4.315
  440   2HB   GLU 673           HB1      GLU 673  10.652   0.074   5.469
  441   1HG   GLU 673           HG2      GLU 673   7.668   0.126   5.104
  442   2HG   GLU 673           HG1      GLU 673   8.754  -1.050   4.369
  443    H    LEU 674           HN       LEU 674  10.277   3.524   4.782
  444    HA   LEU 674           HA       LEU 674  13.031   3.625   5.596
  445   1HB   LEU 674           HB2      LEU 674  11.546   4.352   3.330
  446   2HB   LEU 674           HB1      LEU 674  12.241   5.841   3.946
  447    HG   LEU 674           HG       LEU 674  14.478   4.881   3.827
  448   1HD1  LEU 674          1HD1      LEU 674  13.084   2.423   2.778
  449   2HD1  LEU 674          3HD1      LEU 674  14.829   2.688   2.773
  450   3HD1  LEU 674          2HD1      LEU 674  13.959   2.567   4.303
  451   1HD2  LEU 674          2HD2      LEU 674  13.582   6.018   1.865
  452   2HD2  LEU 674          1HD2      LEU 674  14.669   4.707   1.406
  453   3HD2  LEU 674          3HD2      LEU 674  12.923   4.492   1.276
  454    H    LYS 675           HN       LYS 675  10.170   5.282   6.563
  455    HA   LYS 675           HA       LYS 675  11.613   7.519   7.669
  456   1HB   LYS 675           HB2      LYS 675   8.756   6.612   7.858
  457   2HB   LYS 675           HB1      LYS 675   9.369   7.905   8.881
  458   1HG   LYS 675           HG2      LYS 675   9.514   7.917   5.872
  459   2HG   LYS 675           HG1      LYS 675   8.233   8.687   6.811
  460   1HD   LYS 675           HD2      LYS 675   9.792  10.184   7.833
  461   2HD   LYS 675           HD1      LYS 675  11.163   9.315   7.143
  462   1HE   LYS 675           HE2      LYS 675   9.057  10.632   5.445
  463   2HE   LYS 675           HE1      LYS 675  10.486  11.492   6.015
  464   1HZ   LYS 675           HZ2      LYS 675  11.865   9.829   4.895
  465   2HZ   LYS 675           HZ1      LYS 675  10.474   9.061   4.300
  466   3HZ   LYS 675           HZ3      LYS 675  10.846  10.641   3.805
  467    H    LYS 676           HN       LYS 676  10.492   4.379   8.765
  468    HA   LYS 676           HA       LYS 676  11.332   4.837  11.484
  469   1HB   LYS 676           HB2      LYS 676  11.149   2.134  10.163
  470   2HB   LYS 676           HB1      LYS 676  10.991   2.517  11.868
  471   1HG   LYS 676           HG2      LYS 676   8.879   3.743  11.292
  472   2HG   LYS 676           HG1      LYS 676   9.023   3.072   9.666
  473   1HD   LYS 676           HD2      LYS 676   8.515   1.652  12.259
  474   2HD   LYS 676           HD1      LYS 676   7.594   1.577  10.758
  475   1HE   LYS 676           HE2      LYS 676  10.315   0.387  11.281
  476   2HE   LYS 676           HE1      LYS 676   8.799  -0.487  11.080
  477   1HZ   LYS 676           HZ3      LYS 676   9.947   1.220   8.953
  478   2HZ   LYS 676           HZ2      LYS 676  10.317  -0.421   9.100
  479   3HZ   LYS 676           HZ1      LYS 676   8.719   0.059   8.800
  480    H    ASP 677           HN       ASP 677  12.674   3.170   8.665
  481    HA   ASP 677           HA       ASP 677  15.378   3.440   9.817
  482   1HB   ASP 677           HB2      ASP 677  14.525   1.155   8.037
  483   2HB   ASP 677           HB1      ASP 677  15.998   1.294   8.982
  484    H    SER 678           HN       SER 678  16.488   4.822   8.539
  485    HA   SER 678           HA       SER 678  15.361   5.728   6.091
  486   1HB   SER 678           HB2      SER 678  17.501   7.104   5.980
  487   2HB   SER 678           HB1      SER 678  16.521   7.325   7.430
  488    HG   SER 678           HG       SER 678  17.946   6.074   8.587
  489    H    SER 679           HN       SER 679  17.761   3.367   6.857
  490    HA   SER 679           HA       SER 679  18.274   3.025   3.979
  491   1HB   SER 679           HB2      SER 679  20.431   1.842   4.912
  492   2HB   SER 679           HB1      SER 679  20.377   3.598   4.764
  493    HG   SER 679           HG       SER 679  20.497   3.770   6.854
  494    H    ARG 680           HN       ARG 680  16.065   1.928   5.235
  495    HA   ARG 680           HA       ARG 680  16.630  -0.815   5.945
  496   1HB   ARG 680           HB2      ARG 680  14.821   0.480   7.033
  497   2HB   ARG 680           HB1      ARG 680  13.987   0.579   5.490
  498   1HG   ARG 680           HG2      ARG 680  13.673  -1.805   5.457
  499   2HG   ARG 680           HG1      ARG 680  14.630  -1.982   6.929
  500   1HD   ARG 680           HD2      ARG 680  12.992  -0.632   8.149
  501   2HD   ARG 680           HD1      ARG 680  12.034  -0.471   6.678
  502    HE   ARG 680           HE       ARG 680  11.876  -2.997   6.796
  503   1HH1  ARG 680          1HH1      ARG 680  12.312  -1.020   9.671
  504   2HH1  ARG 680          2HH1      ARG 680  11.403  -2.111  10.691
  505   1HH2  ARG 680          1HH2      ARG 680  10.694  -4.412   8.151
  506   2HH2  ARG 680          2HH2      ARG 680  10.492  -4.017   9.833
  507    H    ALA 681           HN       ALA 681  17.260  -2.075   4.317
  508    HA   ALA 681           HA       ALA 681  16.319  -1.800   1.637
  509   1HB   ALA 681           HB1      ALA 681  17.734  -4.128   2.947
  510   2HB   ALA 681           HB3      ALA 681  17.517  -3.886   1.209
  511   3HB   ALA 681           HB2      ALA 681  18.514  -2.768   2.139
  512    HA   PRO 682           HA       PRO 682  12.541  -4.038   2.016
  513   1HB   PRO 682           HB2      PRO 682  12.675  -4.751  -0.793
  514   2HB   PRO 682           HB1      PRO 682  11.637  -3.560  -0.008
  515   1HG   PRO 682           HG2      PRO 682  13.658  -2.911  -1.726
  516   2HG   PRO 682           HG1      PRO 682  13.073  -1.836  -0.443
  517   1HD   PRO 682           HD2      PRO 682  15.503  -3.575  -0.504
  518   2HD   PRO 682           HD1      PRO 682  15.293  -1.948   0.176
  519    HA   PRO 683           HA       PRO 683  13.804  -8.364   2.249
  520   1HB   PRO 683           HB2      PRO 683  11.213  -9.330   2.443
  521   2HB   PRO 683           HB1      PRO 683  12.206  -8.832   3.816
  522   1HG   PRO 683           HG2      PRO 683  10.046  -7.345   2.399
  523   2HG   PRO 683           HG1      PRO 683  10.457  -7.363   4.122
  524   1HD   PRO 683           HD2      PRO 683  11.109  -5.303   2.501
  525   2HD   PRO 683           HD1      PRO 683  12.134  -5.800   3.866
  526    H    ASP 684           HN       ASP 684  13.836 -10.017   0.683
  527    HA   ASP 684           HA       ASP 684  13.625  -9.138  -1.934
  528   1HB   ASP 684           HB2      ASP 684  15.000 -11.063  -1.160
  529   2HB   ASP 684           HB1      ASP 684  13.523 -12.024  -1.050
  530    H    ASP 685           HN       ASP 685  11.439 -11.373  -0.251
  531    HA   ASP 685           HA       ASP 685   9.222 -10.425  -1.905
  532   1HB   ASP 685           HB2      ASP 685  10.244 -12.458  -3.016
  533   2HB   ASP 685           HB1      ASP 685   9.818 -13.372  -1.579
  534    H    LEU 686           HN       LEU 686   7.211 -11.894  -1.066
  535    HA   LEU 686           HA       LEU 686   6.899 -10.750   1.551
  536   1HB   LEU 686           HB2      LEU 686   5.291 -10.718  -0.463
  537   2HB   LEU 686           HB1      LEU 686   4.871 -12.350   0.017
  538    HG   LEU 686           HG       LEU 686   4.167 -11.486   2.227
  539   1HD1  LEU 686          1HD1      LEU 686   5.594  -9.501   2.279
  540   2HD1  LEU 686          3HD1      LEU 686   4.653  -8.792   0.964
  541   3HD1  LEU 686          2HD1      LEU 686   3.898  -9.087   2.532
  542   1HD2  LEU 686          2HD2      LEU 686   2.551 -11.809   0.417
  543   2HD2  LEU 686          1HD2      LEU 686   2.111 -10.445   1.445
  544   3HD2  LEU 686          3HD2      LEU 686   2.842 -10.159  -0.136
  545    H    THR 687           HN       THR 687   8.073 -12.059   2.981
  546    HA   THR 687           HA       THR 687   7.621 -14.885   3.156
  547    HB   THR 687           HB       THR 687   8.625 -13.818   5.618
  548    HG1  THR 687           HG1      THR 687  10.208 -12.983   3.417
  549   1HG2  THR 687          1HG2      THR 687   9.146 -16.029   4.705
  550   2HG2  THR 687          3HG2      THR 687   9.998 -15.279   3.356
  551   3HG2  THR 687          2HG2      THR 687  10.619 -15.104   4.997
  552    H    LYS 688           HN       LYS 688   6.806 -15.858   5.254
  553    HA   LYS 688           HA       LYS 688   4.117 -15.461   5.473
  554   1HB   LYS 688           HB2      LYS 688   5.234 -17.443   6.340
  555   2HB   LYS 688           HB1      LYS 688   5.970 -16.494   7.624
  556   1HG   LYS 688           HG2      LYS 688   3.598 -15.949   8.371
  557   2HG   LYS 688           HG1      LYS 688   3.079 -17.236   7.280
  558   1HD   LYS 688           HD2      LYS 688   5.095 -17.587   9.495
  559   2HD   LYS 688           HD1      LYS 688   3.379 -17.961   9.645
  560   1HE   LYS 688           HE2      LYS 688   5.138 -19.181   7.533
  561   2HE   LYS 688           HE1      LYS 688   4.913 -19.905   9.123
  562   1HZ   LYS 688           HZ3      LYS 688   2.751 -19.334   7.165
  563   2HZ   LYS 688           HZ2      LYS 688   3.418 -20.860   7.488
  564   3HZ   LYS 688           HZ1      LYS 688   2.543 -20.046   8.692
  565    H    GLY 689           HN       GLY 689   6.543 -14.145   7.741
  566   1HA   GLY 689           HA1      GLY 689   6.386 -12.508   9.334
  567   2HA   GLY 689           HA2      GLY 689   4.704 -12.984   9.514
  568    H    LYS 690           HN       LYS 690   6.564 -11.416   6.913
  569    HA   LYS 690           HA       LYS 690   5.276  -8.906   7.317
  570   1HB   LYS 690           HB2      LYS 690   7.590  -9.286   6.341
  571   2HB   LYS 690           HB1      LYS 690   6.796  -9.779   4.855
  572   1HG   LYS 690           HG2      LYS 690   7.597  -7.426   4.866
  573   2HG   LYS 690           HG1      LYS 690   5.872  -7.600   4.539
  574   1HD   LYS 690           HD2      LYS 690   5.285  -6.861   6.700
  575   2HD   LYS 690           HD1      LYS 690   6.929  -7.059   7.302
  576   1HE   LYS 690           HE2      LYS 690   6.364  -5.134   5.081
  577   2HE   LYS 690           HE1      LYS 690   6.028  -4.679   6.749
  578   1HZ   LYS 690           HZ2      LYS 690   8.375  -5.262   7.260
  579   2HZ   LYS 690           HZ1      LYS 690   8.651  -5.461   5.603
  580   3HZ   LYS 690           HZ3      LYS 690   8.214  -3.937   6.213
  581    H    ARG 691           HN       ARG 691   4.625 -11.722   5.403
  582    HA   ARG 691           HA       ARG 691   2.867 -10.646   3.499
  583   1HB   ARG 691           HB2      ARG 691   3.788 -12.921   3.366
  584   2HB   ARG 691           HB1      ARG 691   2.849 -13.390   4.774
  585   1HG   ARG 691           HG2      ARG 691   0.844 -13.345   3.608
  586   2HG   ARG 691           HG1      ARG 691   1.504 -12.332   2.322
  587   1HD   ARG 691           HD2      ARG 691   1.210 -14.619   1.546
  588   2HD   ARG 691           HD1      ARG 691   2.917 -14.187   1.584
  589    HE   ARG 691           HE       ARG 691   1.649 -15.776   3.728
  590   1HH1  ARG 691          1HH1      ARG 691   4.243 -15.221   1.434
  591   2HH1  ARG 691          2HH1      ARG 691   5.139 -16.636   1.891
  592   1HH2  ARG 691          1HH2      ARG 691   2.833 -17.662   4.337
  593   2HH2  ARG 691          2HH2      ARG 691   4.332 -18.018   3.536
  594    H    HIS 692           HN       HIS 692   2.241 -12.013   6.718
  595    HA   HIS 692           HA       HIS 692  -0.545 -11.511   6.666
  596   1HB   HIS 692           HB2      HIS 692   0.351 -13.113   8.250
  597   2HB   HIS 692           HB1      HIS 692   1.357 -11.875   8.996
  598    HD1  HIS 692           HD1      HIS 692   0.427 -11.488  11.257
  599    HD2  HIS 692           HD2      HIS 692  -2.563 -11.824   8.385
  600    HE1  HIS 692           HE1      HIS 692  -1.729 -11.004  12.459
  601    HE2  HIS 692           HE2      HIS 692  -3.471 -10.935  10.638
  602    H    LYS 693           HN       LYS 693   2.234  -9.596   7.673
  603    HA   LYS 693           HA       LYS 693   0.687  -7.602   8.970
  604   1HB   LYS 693           HB2      LYS 693   3.539  -7.533   7.994
  605   2HB   LYS 693           HB1      LYS 693   2.791  -6.282   8.984
  606   1HG   LYS 693           HG2      LYS 693   2.274  -8.083  10.666
  607   2HG   LYS 693           HG1      LYS 693   3.306  -9.151   9.718
  608   1HD   LYS 693           HD2      LYS 693   5.185  -7.610  10.050
  609   2HD   LYS 693           HD1      LYS 693   4.143  -6.564  11.023
  610   1HE   LYS 693           HE2      LYS 693   3.755  -8.491  12.556
  611   2HE   LYS 693           HE1      LYS 693   4.943  -9.408  11.631
  612   1HZ   LYS 693           HZ1      LYS 693   6.567  -7.630  12.181
  613   2HZ   LYS 693           HZ3      LYS 693   5.408  -6.944  13.213
  614   3HZ   LYS 693           HZ2      LYS 693   6.010  -8.495  13.526
  615    H    VAL 694           HN       VAL 694   2.123  -7.729   5.686
  616    HA   VAL 694           HA       VAL 694   1.193  -5.141   4.960
  617    HB   VAL 694           HB       VAL 694   1.562  -5.734   2.648
  618   1HG1  VAL 694          1HG1      VAL 694   3.705  -6.816   4.469
  619   2HG1  VAL 694          3HG1      VAL 694   3.931  -6.384   2.774
  620   3HG1  VAL 694          2HG1      VAL 694   3.502  -5.143   3.950
  621   1HG2  VAL 694          1HG2      VAL 694   0.623  -7.999   2.666
  622   2HG2  VAL 694          3HG2      VAL 694   2.238  -7.974   1.955
  623   3HG2  VAL 694          2HG2      VAL 694   2.008  -8.567   3.601
  624    H    LYS 695           HN       LYS 695  -0.216  -8.342   4.891
  625    HA   LYS 695           HA       LYS 695  -2.602  -7.733   3.497
  626   1HB   LYS 695           HB2      LYS 695  -2.122 -10.009   3.661
  627   2HB   LYS 695           HB1      LYS 695  -1.709  -9.906   5.365
  628   1HG   LYS 695           HG2      LYS 695  -3.752 -11.113   5.154
  629   2HG   LYS 695           HG1      LYS 695  -4.113  -9.544   5.869
  630   1HD   LYS 695           HD2      LYS 695  -4.697  -8.765   3.526
  631   2HD   LYS 695           HD1      LYS 695  -4.618 -10.463   3.047
  632   1HE   LYS 695           HE2      LYS 695  -6.441  -9.255   5.126
  633   2HE   LYS 695           HE1      LYS 695  -6.907  -9.851   3.534
  634   1HZ   LYS 695           HZ2      LYS 695  -5.774 -11.509   5.728
  635   2HZ   LYS 695           HZ1      LYS 695  -7.405 -11.444   5.280
  636   3HZ   LYS 695           HZ3      LYS 695  -6.262 -12.071   4.202
  637    H    GLU 696           HN       GLU 696  -1.836  -7.857   6.984
  638    HA   GLU 696           HA       GLU 696  -4.466  -7.266   7.852
  639   1HB   GLU 696           HB2      GLU 696  -2.436  -8.278   9.145
  640   2HB   GLU 696           HB1      GLU 696  -2.034  -6.599   9.477
  641   1HG   GLU 696           HG2      GLU 696  -3.272  -7.425  11.321
  642   2HG   GLU 696           HG1      GLU 696  -4.321  -6.321  10.431
  643    H    PHE 697           HN       PHE 697  -1.597  -5.265   7.321
  644    HA   PHE 697           HA       PHE 697  -2.624  -2.816   8.179
  645   1HB   PHE 697           HB2      PHE 697  -0.334  -2.765   7.744
  646   2HB   PHE 697           HB1      PHE 697  -0.503  -3.605   6.207
  647    HD1  PHE 697           HD1      PHE 697  -1.282  -0.379   7.879
  648    HD2  PHE 697           HD2      PHE 697  -0.484  -2.396   4.216
  649    HE1  PHE 697           HE1      PHE 697  -1.173   1.785   6.719
  650    HE2  PHE 697           HE2      PHE 697  -0.376  -0.232   3.047
  651    HZ   PHE 697           HZ       PHE 697  -0.836   1.829   4.233
  652    H    ILE 698           HN       ILE 698  -2.647  -4.275   4.926
  653    HA   ILE 698           HA       ILE 698  -4.044  -2.083   3.801
  654    HB   ILE 698           HB       ILE 698  -2.610  -3.678   2.484
  655   1HG1  ILE 698          2HG1      ILE 698  -3.930  -3.454   0.474
  656   2HG1  ILE 698          1HG1      ILE 698  -5.415  -3.290   1.409
  657   1HG2  ILE 698          1HG2      ILE 698  -5.051  -5.439   2.648
  658   2HG2  ILE 698          3HG2      ILE 698  -3.674  -5.693   1.573
  659   3HG2  ILE 698          2HG2      ILE 698  -3.459  -5.790   3.322
  660   1HD1  ILE 698          2HD1      ILE 698  -3.114  -1.348   1.399
  661   2HD1  ILE 698          1HD1      ILE 698  -4.647  -1.150   0.554
  662   3HD1  ILE 698          3HD1      ILE 698  -4.608  -1.179   2.316
  663    H    ASN 699           HN       ASN 699  -5.055  -5.154   5.188
  664    HA   ASN 699           HA       ASN 699  -7.736  -5.193   4.512
  665   1HB   ASN 699           HB2      ASN 699  -6.902  -7.037   5.722
  666   2HB   ASN 699           HB1      ASN 699  -6.249  -6.016   6.997
  667   1HD2  ASN 699          1HD2      ASN 699  -7.571  -5.291   8.616
  668   2HD2  ASN 699          2HD2      ASN 699  -9.153  -5.946   8.897
  669    H    SER 700           HN       SER 700  -6.245  -3.540   7.299
  670    HA   SER 700           HA       SER 700  -8.646  -2.280   8.138
  671   1HB   SER 700           HB2      SER 700  -5.811  -1.416   8.714
  672   2HB   SER 700           HB1      SER 700  -7.244  -1.073   9.680
  673    HG   SER 700           HG       SER 700  -5.686  -2.967  10.182
  674    H    TYR 701           HN       TYR 701  -5.972  -1.289   6.060
  675    HA   TYR 701           HA       TYR 701  -6.643   1.435   5.824
  676   1HB   TYR 701           HB2      TYR 701  -4.466   0.458   5.159
  677   2HB   TYR 701           HB1      TYR 701  -5.252  -0.352   3.815
  678    HD1  TYR 701           HD1      TYR 701  -6.008   3.123   4.845
  679    HD2  TYR 701           HD2      TYR 701  -3.949   0.623   2.093
  680    HE1  TYR 701           HE1      TYR 701  -5.553   5.073   3.418
  681    HE2  TYR 701           HE2      TYR 701  -3.485   2.552   0.659
  682    HH   TYR 701           HH       TYR 701  -4.585   4.860   0.261
  683    H    MET 702           HN       MET 702  -7.554  -1.376   3.873
  684    HA   MET 702           HA       MET 702  -9.121  -0.068   1.937
  685   1HB   MET 702           HB2      MET 702  -9.428  -2.854   3.072
  686   2HB   MET 702           HB1      MET 702 -10.167  -2.270   1.587
  687   1HG   MET 702           HG2      MET 702  -7.914  -1.888   0.666
  688   2HG   MET 702           HG1      MET 702  -7.228  -2.591   2.127
  689   1HE   MET 702           HE3      MET 702  -6.894  -3.484  -1.049
  690   2HE   MET 702           HE2      MET 702  -5.929  -4.163   0.261
  691   3HE   MET 702           HE1      MET 702  -6.797  -5.233  -0.837
  692    H    ASP 703           HN       ASP 703  -9.909  -1.508   5.042
  693    HA   ASP 703           HA       ASP 703 -12.663  -1.194   5.088
  694   1HB   ASP 703           HB2      ASP 703 -11.403  -2.484   6.746
  695   2HB   ASP 703           HB1      ASP 703 -10.681  -1.009   7.368
  696    H    LYS 704           HN       LYS 704 -10.119   1.137   5.677
  697    HA   LYS 704           HA       LYS 704 -11.864   3.155   6.723
  698   1HB   LYS 704           HB2      LYS 704  -9.392   2.929   7.202
  699   2HB   LYS 704           HB1      LYS 704  -9.097   3.541   5.581
  700   1HG   LYS 704           HG2      LYS 704 -10.265   5.613   6.154
  701   2HG   LYS 704           HG1      LYS 704 -10.544   4.997   7.785
  702   1HD   LYS 704           HD2      LYS 704  -8.653   6.399   7.946
  703   2HD   LYS 704           HD1      LYS 704  -8.028   4.750   7.966
  704   1HE   LYS 704           HE2      LYS 704  -6.642   6.055   6.519
  705   2HE   LYS 704           HE1      LYS 704  -7.595   4.954   5.525
  706   1HZ   LYS 704           HZ1      LYS 704  -8.265   7.806   6.011
  707   2HZ   LYS 704           HZ3      LYS 704  -7.491   7.218   4.622
  708   3HZ   LYS 704           HZ2      LYS 704  -9.082   6.744   4.966
  709    H    ILE 705           HN       ILE 705 -10.759   2.256   3.513
  710    HA   ILE 705           HA       ILE 705 -11.364   4.834   2.355
  711    HB   ILE 705           HB       ILE 705 -10.760   2.262   0.888
  712   1HG1  ILE 705          2HG1      ILE 705  -8.933   2.787   2.447
  713   2HG1  ILE 705          1HG1      ILE 705  -8.447   3.019   0.771
  714   1HG2  ILE 705          3HG2      ILE 705 -10.564   5.156   0.075
  715   2HG2  ILE 705          2HG2      ILE 705 -10.031   3.786  -0.901
  716   3HG2  ILE 705          1HG2      ILE 705 -11.740   3.976  -0.506
  717   1HD1  ILE 705          3HD1      ILE 705  -9.268   5.209   2.660
  718   2HD1  ILE 705          2HD1      ILE 705  -7.610   4.788   2.234
  719   3HD1  ILE 705          1HD1      ILE 705  -8.707   5.414   1.001
  720    H    ILE 706           HN       ILE 706 -12.847   1.669   2.566
  721    HA   ILE 706           HA       ILE 706 -14.834   1.930   0.613
  722    HB   ILE 706           HB       ILE 706 -14.301  -0.207   1.692
  723   1HG1  ILE 706          2HG1      ILE 706 -17.184   0.631   2.040
  724   2HG1  ILE 706          1HG1      ILE 706 -16.451   0.037   0.553
  725   1HG2  ILE 706          3HG2      ILE 706 -13.976   0.561   3.972
  726   2HG2  ILE 706          2HG2      ILE 706 -15.698   0.920   4.108
  727   3HG2  ILE 706          1HG2      ILE 706 -15.158  -0.748   3.914
  728   1HD1  ILE 706          2HD1      ILE 706 -16.780  -1.527   3.102
  729   2HD1  ILE 706          1HD1      ILE 706 -17.765  -1.684   1.648
  730   3HD1  ILE 706          3HD1      ILE 706 -16.058  -2.122   1.609
  731    H    LEU 707           HN       LEU 707 -14.549   3.154   3.793
  732    HA   LEU 707           HA       LEU 707 -17.150   3.659   4.580
  733   1HB   LEU 707           HB2      LEU 707 -14.753   3.998   5.686
  734   2HB   LEU 707           HB1      LEU 707 -15.026   5.656   5.197
  735    HG   LEU 707           HG       LEU 707 -15.638   5.121   7.571
  736   1HD1  LEU 707          1HD1      LEU 707 -17.864   6.117   5.802
  737   2HD1  LEU 707          3HD1      LEU 707 -17.736   6.369   7.544
  738   3HD1  LEU 707          2HD1      LEU 707 -16.542   7.082   6.460
  739   1HD2  LEU 707          2HD2      LEU 707 -16.558   2.898   7.191
  740   2HD2  LEU 707          1HD2      LEU 707 -17.741   3.948   7.974
  741   3HD2  LEU 707          3HD2      LEU 707 -17.878   3.595   6.251
  742    H    LYS 708           HN       LYS 708 -15.259   5.333   2.172
  743    HA   LYS 708           HA       LYS 708 -16.344   7.893   2.288
  744   1HB   LYS 708           HB2      LYS 708 -15.320   6.351  -0.088
  745   2HB   LYS 708           HB1      LYS 708 -15.732   8.055  -0.142
  746   1HG   LYS 708           HG2      LYS 708 -14.029   8.446   1.635
  747   2HG   LYS 708           HG1      LYS 708 -13.547   6.755   1.458
  748   1HD   LYS 708           HD2      LYS 708 -13.557   8.807  -0.757
  749   2HD   LYS 708           HD1      LYS 708 -12.130   8.283   0.137
  750   1HE   LYS 708           HE2      LYS 708 -12.333   6.051  -0.716
  751   2HE   LYS 708           HE1      LYS 708 -13.896   6.418  -1.443
  752   1HZ   LYS 708           HZ3      LYS 708 -11.584   8.021  -2.260
  753   2HZ   LYS 708           HZ2      LYS 708 -11.695   6.437  -2.854
  754   3HZ   LYS 708           HZ1      LYS 708 -12.942   7.546  -3.160
  755    H    LYS 709           HN       LYS 709 -17.778   4.984   1.018
  756    HA   LYS 709           HA       LYS 709 -19.534   6.220  -0.822
  757   1HB   LYS 709           HB2      LYS 709 -20.745   4.093  -0.848
  758   2HB   LYS 709           HB1      LYS 709 -19.012   3.856  -0.997
  759   1HG   LYS 709           HG2      LYS 709 -18.900   3.241   1.370
  760   2HG   LYS 709           HG1      LYS 709 -20.647   3.458   1.496
  761   1HD   LYS 709           HD2      LYS 709 -21.001   1.696  -0.146
  762   2HD   LYS 709           HD1      LYS 709 -19.256   1.501  -0.330
  763   1HE   LYS 709           HE2      LYS 709 -19.098   0.884   2.042
  764   2HE   LYS 709           HE1      LYS 709 -20.850   1.028   2.182
  765   1HZ   LYS 709           HZ3      LYS 709 -19.452  -0.850   0.356
  766   2HZ   LYS 709           HZ2      LYS 709 -20.095  -1.270   1.869
  767   3HZ   LYS 709           HZ1      LYS 709 -21.125  -0.761   0.623
  768    H    LYS 710           HN       LYS 710 -19.875   5.409   2.608
  769    HA   LYS 710           HA       LYS 710 -22.681   6.064   2.588
  770   1HB   LYS 710           HB2      LYS 710 -22.779   5.320   4.778
  771   2HB   LYS 710           HB1      LYS 710 -21.470   4.356   4.119
  772   1HG   LYS 710           HG2      LYS 710 -19.849   5.910   5.135
  773   2HG   LYS 710           HG1      LYS 710 -21.194   6.803   5.849
  774   1HD   LYS 710           HD2      LYS 710 -21.886   4.530   6.849
  775   2HD   LYS 710           HD1      LYS 710 -20.245   4.022   6.447
  776   1HE   LYS 710           HE2      LYS 710 -20.190   4.746   8.700
  777   2HE   LYS 710           HE1      LYS 710 -19.433   6.024   7.749
  778   1HZ   LYS 710           HZ3      LYS 710 -21.535   7.242   7.807
  779   2HZ   LYS 710           HZ2      LYS 710 -22.228   6.014   8.754
  780   3HZ   LYS 710           HZ1      LYS 710 -20.951   6.941   9.373
  781    H    GLN 711           HN       GLN 711 -19.723   7.742   3.094
  782    HA   GLN 711           HA       GLN 711 -20.816   9.982   4.489
  783   1HB   GLN 711           HB2      GLN 711 -18.393   9.469   4.452
  784   2HB   GLN 711           HB1      GLN 711 -18.354   9.802   2.728
  785   1HG   GLN 711           HG2      GLN 711 -19.122  12.134   3.268
  786   2HG   GLN 711           HG1      GLN 711 -18.850  11.744   4.965
  787   1HE2  GLN 711          1HE2      GLN 711 -17.227  13.268   5.211
  788   2HE2  GLN 711          2HE2      GLN 711 -15.663  13.089   4.484
  789    H    LYS 712           HN       LYS 712 -20.662   8.942   1.191
  790    HA   LYS 712           HA       LYS 712 -21.397  11.545   0.131
  791   1HB   LYS 712           HB2      LYS 712 -19.814  10.147  -1.120
  792   2HB   LYS 712           HB1      LYS 712 -21.013   8.868  -1.229
  793   1HG   LYS 712           HG2      LYS 712 -22.415  10.241  -2.629
  794   2HG   LYS 712           HG1      LYS 712 -21.316  11.608  -2.437
  795   1HD   LYS 712           HD2      LYS 712 -20.963  10.490  -4.581
  796   2HD   LYS 712           HD1      LYS 712 -19.542  10.346  -3.546
  797   1HE   LYS 712           HE2      LYS 712 -20.268   8.081  -2.905
  798   2HE   LYS 712           HE1      LYS 712 -21.649   8.233  -3.991
  799   1HZ   LYS 712           HZ1      LYS 712 -20.119   8.475  -5.844
  800   2HZ   LYS 712           HZ3      LYS 712 -18.790   8.327  -4.800
  801   3HZ   LYS 712           HZ2      LYS 712 -19.840   7.014  -5.032
  802    H    LYS 713           HN       LYS 713 -22.731   8.290   0.433
  803    HA   LYS 713           HA       LYS 713 -25.385   9.427   0.648
  804   1HB   LYS 713           HB2      LYS 713 -26.139   7.482  -0.998
  805   2HB   LYS 713           HB1      LYS 713 -25.735   9.090  -1.572
  806   1HG   LYS 713           HG2      LYS 713 -24.630   7.732  -3.067
  807   2HG   LYS 713           HG1      LYS 713 -23.361   8.119  -1.909
  808   1HD   LYS 713           HD2      LYS 713 -23.330   5.750  -2.517
  809   2HD   LYS 713           HD1      LYS 713 -23.696   5.968  -0.805
  810   1HE   LYS 713           HE2      LYS 713 -25.121   4.255  -1.821
  811   2HE   LYS 713           HE1      LYS 713 -26.063   5.630  -1.247
  812   1HZ   LYS 713           HZ3      LYS 713 -25.243   5.172  -4.070
  813   2HZ   LYS 713           HZ2      LYS 713 -26.783   4.863  -3.437
  814   3HZ   LYS 713           HZ1      LYS 713 -26.201   6.453  -3.507
  815    H    ALA 714           HN       ALA 714 -25.242   8.756   2.776
  816    HA   ALA 714           HA       ALA 714 -24.569   6.194   3.658
  817   1HB   ALA 714           HB2      ALA 714 -26.472   8.164   4.919
  818   2HB   ALA 714           HB1      ALA 714 -25.731   6.783   5.729
  819   3HB   ALA 714           HB3      ALA 714 -24.721   8.112   5.153

  No H/Q in entry =         819
  Start of MODEL    3
    1    H    VAL 622           HN       VAL 622  20.299  14.744  -2.433
    2    HA   VAL 622           HA       VAL 622  20.608  12.427  -4.186
    3    HB   VAL 622           HB       VAL 622  22.773  14.124  -2.923
    4   1HG1  VAL 622          3HG1      VAL 622  22.849  12.160  -5.210
    5   2HG1  VAL 622          2HG1      VAL 622  24.197  13.163  -4.677
    6   3HG1  VAL 622          1HG1      VAL 622  23.544  11.922  -3.607
    7   1HG2  VAL 622          2HG2      VAL 622  21.333  15.472  -4.380
    8   2HG2  VAL 622          1HG2      VAL 622  22.946  15.267  -5.065
    9   3HG2  VAL 622          3HG2      VAL 622  21.595  14.321  -5.691
   10    H    SER 623           HN       SER 623  19.835  10.809  -2.842
   11    HA   SER 623           HA       SER 623  21.726   9.879  -0.841
   12   1HB   SER 623           HB2      SER 623  18.786  10.259  -0.180
   13   2HB   SER 623           HB1      SER 623  20.012   9.564   0.883
   14    HG   SER 623           HG       SER 623  20.906  11.922   0.074
   15    H    GLN 624           HN       GLN 624  21.741   7.665  -0.641
   16    HA   GLN 624           HA       GLN 624  20.682   6.180  -2.815
   17   1HB   GLN 624           HB2      GLN 624  22.806   5.650  -1.576
   18   2HB   GLN 624           HB1      GLN 624  21.817   5.077  -0.240
   19   1HG   GLN 624           HG2      GLN 624  20.889   3.335  -1.592
   20   2HG   GLN 624           HG1      GLN 624  21.677   3.970  -3.034
   21   1HE2  GLN 624          1HE2      GLN 624  23.911   3.726  -3.261
   22   2HE2  GLN 624          2HE2      GLN 624  24.803   2.553  -2.348
   23    H    SER 625           HN       SER 625  19.651   6.769   0.451
   24    HA   SER 625           HA       SER 625  17.699   4.790   0.729
   25   1HB   SER 625           HB2      SER 625  17.667   7.606   1.835
   26   2HB   SER 625           HB1      SER 625  16.754   6.229   2.457
   27    HG   SER 625           HG       SER 625  18.451   5.669   3.535
   28    H    GLN 626           HN       GLN 626  17.699   7.784  -1.058
   29    HA   GLN 626           HA       GLN 626  14.891   8.039  -1.369
   30   1HB   GLN 626           HB2      GLN 626  16.489   9.901  -1.733
   31   2HB   GLN 626           HB1      GLN 626  17.102   9.073  -3.158
   32   1HG   GLN 626           HG2      GLN 626  15.561  10.826  -3.783
   33   2HG   GLN 626           HG1      GLN 626  14.902   9.245  -4.204
   34   1HE2  GLN 626          1HE2      GLN 626  12.798   9.979  -4.217
   35   2HE2  GLN 626          2HE2      GLN 626  11.944  10.375  -2.767
   36    H    ARG 627           HN       ARG 627  17.362   6.211  -2.981
   37    HA   ARG 627           HA       ARG 627  15.838   5.582  -5.322
   38   1HB   ARG 627           HB2      ARG 627  18.361   5.506  -5.141
   39   2HB   ARG 627           HB1      ARG 627  18.179   4.052  -4.172
   40   1HG   ARG 627           HG2      ARG 627  16.806   3.191  -6.209
   41   2HG   ARG 627           HG1      ARG 627  17.669   4.461  -7.080
   42   1HD   ARG 627           HD2      ARG 627  18.909   2.410  -7.287
   43   2HD   ARG 627           HD1      ARG 627  19.805   3.506  -6.232
   44    HE   ARG 627           HE       ARG 627  18.028   1.563  -4.966
   45   1HH1  ARG 627          1HH1      ARG 627  21.308   2.432  -5.846
   46   2HH1  ARG 627          2HH1      ARG 627  22.034   1.396  -4.653
   47   1HH2  ARG 627          1HH2      ARG 627  18.984   0.205  -3.405
   48   2HH2  ARG 627          2HH2      ARG 627  20.712   0.142  -3.255
   49    H    LEU 628           HN       LEU 628  16.057   4.390  -2.083
   50    HA   LEU 628           HA       LEU 628  15.240   1.729  -2.535
   51   1HB   LEU 628           HB2      LEU 628  15.324   3.475  -0.128
   52   2HB   LEU 628           HB1      LEU 628  14.409   1.980  -0.060
   53    HG   LEU 628           HG       LEU 628  17.354   2.332  -0.479
   54   1HD1  LEU 628          1HD1      LEU 628  16.538   2.267   1.819
   55   2HD1  LEU 628          3HD1      LEU 628  15.709   0.745   1.482
   56   3HD1  LEU 628          2HD1      LEU 628  17.473   0.820   1.441
   57   1HD2  LEU 628          3HD2      LEU 628  16.590   0.713  -2.138
   58   2HD2  LEU 628          2HD2      LEU 628  17.519  -0.074  -0.862
   59   3HD2  LEU 628          1HD2      LEU 628  15.759  -0.195  -0.874
   60    H    GLU 629           HN       GLU 629  13.401   4.683  -2.396
   61    HA   GLU 629           HA       GLU 629  10.890   3.529  -1.890
   62   1HB   GLU 629           HB2      GLU 629  11.728   5.965  -3.437
   63   2HB   GLU 629           HB1      GLU 629  10.048   5.450  -3.422
   64   1HG   GLU 629           HG2      GLU 629  10.179   5.533  -0.902
   65   2HG   GLU 629           HG1      GLU 629  11.730   6.349  -1.105
   66    H    HIS 630           HN       HIS 630  12.657   4.047  -4.902
   67    HA   HIS 630           HA       HIS 630  10.822   2.765  -6.610
   68   1HB   HIS 630           HB2      HIS 630  12.502   4.235  -7.536
   69   2HB   HIS 630           HB1      HIS 630  13.799   3.239  -6.888
   70    HD1  HIS 630           HD1      HIS 630  11.138   3.210  -9.573
   71    HD2  HIS 630           HD2      HIS 630  14.573   1.133  -8.484
   72    HE1  HIS 630           HE1      HIS 630  11.651   1.683 -11.507
   73    HE2  HIS 630           HE2      HIS 630  13.718   0.410 -10.814
   74    H    ASN 631           HN       ASN 631  13.666   1.570  -4.836
   75    HA   ASN 631           HA       ASN 631  13.588  -1.065  -5.845
   76   1HB   ASN 631           HB2      ASN 631  14.604   0.028  -3.221
   77   2HB   ASN 631           HB1      ASN 631  14.744  -1.671  -3.659
   78   1HD2  ASN 631          1HD2      ASN 631  15.996  -2.216  -5.510
   79   2HD2  ASN 631          2HD2      ASN 631  17.294  -1.184  -6.011
   80    H    TRP 632           HN       TRP 632  12.116   0.404  -2.987
   81    HA   TRP 632           HA       TRP 632  10.757  -1.876  -2.093
   82   1HB   TRP 632           HB2      TRP 632  10.542   1.037  -1.630
   83   2HB   TRP 632           HB1      TRP 632   9.122   0.073  -1.234
   84    HD1  TRP 632           HD1      TRP 632  12.421   1.097   0.168
   85    HE1  TRP 632           HE1      TRP 632  12.878  -0.185   2.357
   86    HE3  TRP 632           HE3      TRP 632   8.742  -2.407  -0.188
   87    HZ2  TRP 632           HZ2      TRP 632  11.801  -2.402   3.738
   88    HZ3  TRP 632           HZ3      TRP 632   8.517  -4.072   1.602
   89    HH2  TRP 632           HH2      TRP 632  10.006  -4.071   3.515
   90    H    ASN 633           HN       ASN 633   9.835   0.617  -4.439
   91    HA   ASN 633           HA       ASN 633   7.200  -0.176  -4.906
   92   1HB   ASN 633           HB2      ASN 633   9.199   0.913  -6.904
   93   2HB   ASN 633           HB1      ASN 633   7.477   0.754  -7.207
   94   1HD2  ASN 633          1HD2      ASN 633   7.061   1.567  -4.281
   95   2HD2  ASN 633          2HD2      ASN 633   7.196   3.284  -4.331
   96    H    LYS 634           HN       LYS 634  10.221  -1.315  -6.326
   97    HA   LYS 634           HA       LYS 634   9.220  -3.163  -8.155
   98   1HB   LYS 634           HB2      LYS 634  11.526  -2.638  -8.243
   99   2HB   LYS 634           HB1      LYS 634  11.767  -3.050  -6.552
  100   1HG   LYS 634           HG2      LYS 634  11.165  -5.434  -7.223
  101   2HG   LYS 634           HG1      LYS 634  11.381  -4.886  -8.887
  102   1HD   LYS 634           HD2      LYS 634  13.657  -4.352  -8.515
  103   2HD   LYS 634           HD1      LYS 634  13.485  -4.520  -6.766
  104   1HE   LYS 634           HE2      LYS 634  12.992  -6.928  -7.099
  105   2HE   LYS 634           HE1      LYS 634  13.307  -6.721  -8.820
  106   1HZ   LYS 634           HZ3      LYS 634  15.263  -6.217  -6.645
  107   2HZ   LYS 634           HZ2      LYS 634  15.228  -7.599  -7.626
  108   3HZ   LYS 634           HZ1      LYS 634  15.567  -6.083  -8.309
  109    H    PHE 635           HN       PHE 635  10.122  -3.601  -4.756
  110    HA   PHE 635           HA       PHE 635   9.503  -6.343  -4.607
  111   1HB   PHE 635           HB2      PHE 635  10.903  -5.342  -2.936
  112   2HB   PHE 635           HB1      PHE 635   9.636  -4.210  -2.476
  113    HD1  PHE 635           HD1      PHE 635   8.723  -4.648  -0.427
  114    HD2  PHE 635           HD2      PHE 635   9.897  -7.910  -2.890
  115    HE1  PHE 635           HE1      PHE 635   7.951  -6.222   1.295
  116    HE2  PHE 635           HE2      PHE 635   9.123  -9.492  -1.174
  117    HZ   PHE 635           HZ       PHE 635   8.136  -8.635   0.931
  118    H    PHE 636           HN       PHE 636   7.555  -3.482  -3.763
  119    HA   PHE 636           HA       PHE 636   5.359  -4.976  -2.796
  120   1HB   PHE 636           HB2      PHE 636   5.677  -2.118  -3.664
  121   2HB   PHE 636           HB1      PHE 636   4.121  -2.758  -3.146
  122    HD1  PHE 636           HD1      PHE 636   5.606  -4.694  -1.121
  123    HD2  PHE 636           HD2      PHE 636   5.618  -0.499  -1.803
  124    HE1  PHE 636           HE1      PHE 636   6.168  -4.325   1.226
  125    HE2  PHE 636           HE2      PHE 636   6.193  -0.125   0.556
  126    HZ   PHE 636           HZ       PHE 636   6.458  -2.050   2.068
  127    H    ALA 637           HN       ALA 637   6.262  -3.850  -5.963
  128    HA   ALA 637           HA       ALA 637   3.815  -4.094  -7.285
  129   1HB   ALA 637           HB2      ALA 637   6.560  -4.614  -8.420
  130   2HB   ALA 637           HB1      ALA 637   5.102  -4.217  -9.331
  131   3HB   ALA 637           HB3      ALA 637   5.815  -3.025  -8.244
  132    H    SER 638           HN       SER 638   5.935  -6.520  -6.060
  133    HA   SER 638           HA       SER 638   5.180  -8.617  -7.818
  134   1HB   SER 638           HB2      SER 638   6.358  -8.783  -5.034
  135   2HB   SER 638           HB1      SER 638   6.311 -10.088  -6.218
  136    HG   SER 638           HG       SER 638   8.272  -8.557  -5.963
  137    H    PHE 639           HN       PHE 639   3.974  -7.615  -4.592
  138    HA   PHE 639           HA       PHE 639   2.005  -9.781  -4.851
  139   1HB   PHE 639           HB2      PHE 639   1.739  -9.686  -2.386
  140   2HB   PHE 639           HB1      PHE 639   3.327 -10.197  -2.932
  141    HD1  PHE 639           HD1      PHE 639   1.409  -7.579  -1.275
  142    HD2  PHE 639           HD2      PHE 639   5.301  -8.813  -2.506
  143    HE1  PHE 639           HE1      PHE 639   2.410  -5.817   0.111
  144    HE2  PHE 639           HE2      PHE 639   6.295  -7.049  -1.125
  145    HZ   PHE 639           HZ       PHE 639   4.940  -5.733   0.338
  146    H    VAL 640           HN       VAL 640   2.303  -6.353  -4.191
  147    HA   VAL 640           HA       VAL 640  -0.135  -5.873  -2.993
  148    HB   VAL 640           HB       VAL 640   1.605  -4.140  -4.725
  149   1HG1  VAL 640          2HG1      VAL 640  -0.723  -3.436  -5.106
  150   2HG1  VAL 640          1HG1      VAL 640  -0.950  -3.279  -3.365
  151   3HG1  VAL 640          3HG1      VAL 640   0.193  -2.229  -4.203
  152   1HG2  VAL 640          3HG2      VAL 640   2.358  -4.693  -2.467
  153   2HG2  VAL 640          2HG2      VAL 640   1.982  -2.976  -2.611
  154   3HG2  VAL 640          1HG2      VAL 640   0.850  -4.062  -1.803
  155    HA   PRO 641           HA       PRO 641  -2.233  -5.088  -7.315
  156   1HB   PRO 641           HB2      PRO 641  -1.091  -6.487  -9.393
  157   2HB   PRO 641           HB1      PRO 641  -0.828  -4.771  -9.076
  158   1HG   PRO 641           HG2      PRO 641   0.881  -7.114  -8.355
  159   2HG   PRO 641           HG1      PRO 641   1.361  -5.517  -8.965
  160   1HD   PRO 641           HD2      PRO 641   1.587  -6.148  -6.371
  161   2HD   PRO 641           HD1      PRO 641   1.122  -4.515  -6.889
  162    H    ASN 642           HN       ASN 642  -0.554  -8.182  -6.843
  163    HA   ASN 642           HA       ASN 642  -2.559  -9.793  -8.010
  164   1HB   ASN 642           HB2      ASN 642  -0.269 -10.374  -6.158
  165   2HB   ASN 642           HB1      ASN 642  -1.403 -11.638  -6.625
  166   1HD2  ASN 642          1HD2      ASN 642   1.076  -9.460  -7.729
  167   2HD2  ASN 642          2HD2      ASN 642   1.361 -10.244  -9.247
  168    H    LEU 643           HN       LEU 643  -2.041  -8.683  -4.708
  169    HA   LEU 643           HA       LEU 643  -3.951 -10.398  -3.507
  170   1HB   LEU 643           HB2      LEU 643  -2.450  -7.974  -2.704
  171   2HB   LEU 643           HB1      LEU 643  -3.933  -8.269  -1.823
  172    HG   LEU 643           HG       LEU 643  -2.028  -9.172  -0.624
  173   1HD1  LEU 643          3HD1      LEU 643  -4.174 -10.332  -0.438
  174   2HD1  LEU 643          2HD1      LEU 643  -3.721 -11.376  -1.783
  175   3HD1  LEU 643          1HD1      LEU 643  -2.812 -11.440  -0.277
  176   1HD2  LEU 643          3HD2      LEU 643  -0.536  -9.583  -2.504
  177   2HD2  LEU 643          2HD2      LEU 643  -0.716 -11.027  -1.506
  178   3HD2  LEU 643          1HD2      LEU 643  -1.570 -10.905  -3.045
  179    H    ILE 644           HN       ILE 644  -4.167  -6.976  -4.431
  180    HA   ILE 644           HA       ILE 644  -6.938  -6.877  -3.672
  181    HB   ILE 644           HB       ILE 644  -5.328  -4.758  -5.041
  182   1HG1  ILE 644          2HG1      ILE 644  -5.750  -5.351  -2.109
  183   2HG1  ILE 644          1HG1      ILE 644  -4.242  -5.529  -3.010
  184   1HG2  ILE 644          3HG2      ILE 644  -7.746  -4.384  -5.097
  185   2HG2  ILE 644          2HG2      ILE 644  -7.809  -4.570  -3.343
  186   3HG2  ILE 644          1HG2      ILE 644  -6.935  -3.213  -4.056
  187   1HD1  ILE 644          1HD1      ILE 644  -4.154  -3.120  -3.369
  188   2HD1  ILE 644          3HD1      ILE 644  -5.664  -2.933  -2.478
  189   3HD1  ILE 644          2HD1      ILE 644  -4.218  -3.515  -1.652
  190    H    LYS 645           HN       LYS 645  -5.242  -7.414  -6.647
  191    HA   LYS 645           HA       LYS 645  -6.836  -6.339  -8.583
  192   1HB   LYS 645           HB2      LYS 645  -4.805  -7.615  -9.081
  193   2HB   LYS 645           HB1      LYS 645  -5.613  -9.105  -8.616
  194   1HG   LYS 645           HG2      LYS 645  -5.535  -8.950 -11.010
  195   2HG   LYS 645           HG1      LYS 645  -7.206  -8.787 -10.470
  196   1HD   LYS 645           HD2      LYS 645  -6.784  -7.161 -12.194
  197   2HD   LYS 645           HD1      LYS 645  -6.970  -6.320 -10.654
  198   1HE   LYS 645           HE2      LYS 645  -4.536  -6.173 -10.444
  199   2HE   LYS 645           HE1      LYS 645  -4.350  -7.021 -11.978
  200   1HZ   LYS 645           HZ2      LYS 645  -5.591  -5.175 -13.032
  201   2HZ   LYS 645           HZ1      LYS 645  -5.563  -4.346 -11.557
  202   3HZ   LYS 645           HZ3      LYS 645  -4.111  -4.698 -12.355
  203    H    LYS 646           HN       LYS 646  -7.532  -9.205  -6.654
  204    HA   LYS 646           HA       LYS 646 -10.315  -9.068  -7.189
  205   1HB   LYS 646           HB2      LYS 646  -8.947 -10.235  -9.263
  206   2HB   LYS 646           HB1      LYS 646  -9.370 -11.633  -8.287
  207   1HG   LYS 646           HG2      LYS 646 -11.308  -9.586  -9.341
  208   2HG   LYS 646           HG1      LYS 646 -11.022 -11.184 -10.031
  209   1HD   LYS 646           HD2      LYS 646 -11.827 -12.231  -7.994
  210   2HD   LYS 646           HD1      LYS 646 -12.041 -10.649  -7.240
  211   1HE   LYS 646           HE2      LYS 646 -13.470 -11.610  -9.714
  212   2HE   LYS 646           HE1      LYS 646 -14.153 -11.589  -8.088
  213   1HZ   LYS 646           HZ1      LYS 646 -13.215  -9.196  -9.578
  214   2HZ   LYS 646           HZ3      LYS 646 -14.834  -9.665  -9.398
  215   3HZ   LYS 646           HZ2      LYS 646 -13.927  -9.199  -8.041
  216    H    ASN 647           HN       ASN 647  -9.779  -9.082  -4.779
  217    HA   ASN 647           HA       ASN 647  -9.829 -11.912  -3.900
  218   1HB   ASN 647           HB2      ASN 647  -7.954  -9.810  -3.113
  219   2HB   ASN 647           HB1      ASN 647  -8.742 -10.575  -1.738
  220   1HD2  ASN 647          1HD2      ASN 647  -6.908 -11.607  -1.016
  221   2HD2  ASN 647          2HD2      ASN 647  -6.166 -12.917  -1.869
  222    HA   PRO 648           HA       PRO 648 -13.272 -11.087  -1.093
  223   1HB   PRO 648           HB2      PRO 648 -11.894 -11.101   1.386
  224   2HB   PRO 648           HB1      PRO 648 -12.804 -12.427   0.664
  225   1HG   PRO 648           HG2      PRO 648  -9.879 -11.914   0.653
  226   2HG   PRO 648           HG1      PRO 648 -10.756 -13.455   0.616
  227   1HD   PRO 648           HD2      PRO 648  -9.547 -12.495  -1.569
  228   2HD   PRO 648           HD1      PRO 648 -11.107 -13.340  -1.680
  229    H    GLN 649           HN       GLN 649 -10.239  -9.386  -0.613
  230    HA   GLN 649           HA       GLN 649 -11.343  -7.168   0.782
  231   1HB   GLN 649           HB2      GLN 649  -9.115  -6.143   0.075
  232   2HB   GLN 649           HB1      GLN 649  -9.054  -7.573   1.094
  233   1HG   GLN 649           HG2      GLN 649  -8.777  -8.907  -1.044
  234   2HG   GLN 649           HG1      GLN 649  -8.516  -7.365  -1.848
  235   1HE2  GLN 649          1HE2      GLN 649  -7.242  -9.607   0.524
  236   2HE2  GLN 649          2HE2      GLN 649  -5.635  -8.974   0.528
  237    H    SER 650           HN       SER 650 -10.558  -7.886  -2.551
  238    HA   SER 650           HA       SER 650 -10.984  -5.337  -3.640
  239   1HB   SER 650           HB2      SER 650  -9.740  -6.617  -5.040
  240   2HB   SER 650           HB1      SER 650 -10.590  -8.097  -4.618
  241    HG   SER 650           HG       SER 650 -11.420  -6.045  -6.392
  242    H    LYS 651           HN       LYS 651 -13.178  -8.027  -3.004
  243    HA   LYS 651           HA       LYS 651 -15.328  -6.949  -4.547
  244   1HB   LYS 651           HB2      LYS 651 -16.685  -8.653  -3.634
  245   2HB   LYS 651           HB1      LYS 651 -15.085  -9.367  -3.777
  246   1HG   LYS 651           HG2      LYS 651 -14.701  -9.001  -1.398
  247   2HG   LYS 651           HG1      LYS 651 -16.297  -8.262  -1.255
  248   1HD   LYS 651           HD2      LYS 651 -17.250 -10.428  -2.117
  249   2HD   LYS 651           HD1      LYS 651 -15.640 -11.124  -1.925
  250   1HE   LYS 651           HE2      LYS 651 -16.984 -11.623   0.022
  251   2HE   LYS 651           HE1      LYS 651 -15.692 -10.508   0.464
  252   1HZ   LYS 651           HZ2      LYS 651 -17.319  -8.681   0.251
  253   2HZ   LYS 651           HZ1      LYS 651 -18.538  -9.817  -0.036
  254   3HZ   LYS 651           HZ3      LYS 651 -17.741  -9.794   1.461
  255    H    GLN 652           HN       GLN 652 -13.894  -6.082  -1.646
  256    HA   GLN 652           HA       GLN 652 -16.259  -4.625  -0.698
  257   1HB   GLN 652           HB2      GLN 652 -13.557  -4.970   0.629
  258   2HB   GLN 652           HB1      GLN 652 -14.965  -4.193   1.340
  259   1HG   GLN 652           HG2      GLN 652 -16.160  -6.375   1.165
  260   2HG   GLN 652           HG1      GLN 652 -14.640  -7.101   0.651
  261   1HE2  GLN 652          1HE2      GLN 652 -13.057  -5.394   2.426
  262   2HE2  GLN 652          2HE2      GLN 652 -13.296  -6.012   4.023
  263    H    PHE 653           HN       PHE 653 -13.249  -4.357  -2.326
  264    HA   PHE 653           HA       PHE 653 -12.834  -1.570  -1.967
  265   1HB   PHE 653           HB2      PHE 653 -11.800  -3.707  -3.735
  266   2HB   PHE 653           HB1      PHE 653 -11.631  -2.054  -4.305
  267    HD1  PHE 653           HD1      PHE 653 -10.431  -0.407  -2.883
  268    HD2  PHE 653           HD2      PHE 653 -10.349  -4.580  -2.109
  269    HE1  PHE 653           HE1      PHE 653  -8.412  -0.108  -1.536
  270    HE2  PHE 653           HE2      PHE 653  -8.320  -4.287  -0.747
  271    HZ   PHE 653           HZ       PHE 653  -7.361  -2.032  -0.468
  272    H    ASP 654           HN       ASP 654 -13.398   0.131  -3.206
  273    HA   ASP 654           HA       ASP 654 -15.560  -0.135  -5.112
  274   1HB   ASP 654           HB2      ASP 654 -15.232   1.802  -3.435
  275   2HB   ASP 654           HB1      ASP 654 -13.963   2.368  -4.510
  276    H    HIS 655           HN       HIS 655 -15.233   0.925  -7.316
  277    HA   HIS 655           HA       HIS 655 -12.999  -0.369  -8.544
  278   1HB   HIS 655           HB2      HIS 655 -15.101   1.474  -9.686
  279   2HB   HIS 655           HB1      HIS 655 -13.867   0.673 -10.658
  280    HD1  HIS 655           HD1      HIS 655 -17.179   0.188  -9.229
  281    HD2  HIS 655           HD2      HIS 655 -14.071  -2.240 -10.546
  282    HE1  HIS 655           HE1      HIS 655 -18.185  -2.097  -9.536
  283    HE2  HIS 655           HE2      HIS 655 -16.257  -3.584 -10.193
  284    H    GLU 656           HN       GLU 656 -13.806   2.963  -7.742
  285    HA   GLU 656           HA       GLU 656 -11.448   4.124  -8.830
  286   1HB   GLU 656           HB2      GLU 656 -11.941   6.028  -7.357
  287   2HB   GLU 656           HB1      GLU 656 -13.398   5.484  -8.177
  288   1HG   GLU 656           HG2      GLU 656 -14.240   4.470  -6.223
  289   2HG   GLU 656           HG1      GLU 656 -12.690   4.603  -5.396
  290    H    ASN 657           HN       ASN 657 -12.236   2.431  -5.938
  291    HA   ASN 657           HA       ASN 657 -10.239   3.434  -4.219
  292   1HB   ASN 657           HB2      ASN 657 -12.472   2.434  -3.652
  293   2HB   ASN 657           HB1      ASN 657 -11.830   0.867  -4.107
  294   1HD2  ASN 657          1HD2      ASN 657 -12.942   1.463  -1.684
  295   2HD2  ASN 657          2HD2      ASN 657 -11.724   1.276  -0.486
  296    H    ILE 658           HN       ILE 658 -10.594   0.432  -6.089
  297    HA   ILE 658           HA       ILE 658  -8.349  -0.879  -5.038
  298    HB   ILE 658           HB       ILE 658 -10.129  -1.307  -7.347
  299   1HG1  ILE 658          2HG1      ILE 658  -8.898  -3.068  -5.219
  300   2HG1  ILE 658          1HG1      ILE 658 -10.540  -2.433  -5.241
  301   1HG2  ILE 658          3HG2      ILE 658  -7.989  -1.432  -8.508
  302   2HG2  ILE 658          2HG2      ILE 658  -7.391  -2.578  -7.309
  303   3HG2  ILE 658          1HG2      ILE 658  -8.723  -3.030  -8.374
  304   1HD1  ILE 658          3HD1      ILE 658  -9.406  -4.425  -7.187
  305   2HD1  ILE 658          2HD1      ILE 658 -10.495  -4.776  -5.844
  306   3HD1  ILE 658          1HD1      ILE 658 -11.051  -3.788  -7.196
  307    H    LYS 659           HN       LYS 659  -8.617   1.191  -7.912
  308    HA   LYS 659           HA       LYS 659  -6.011   0.642  -8.874
  309   1HB   LYS 659           HB2      LYS 659  -7.575   3.178  -9.366
  310   2HB   LYS 659           HB1      LYS 659  -6.335   2.467 -10.389
  311   1HG   LYS 659           HG2      LYS 659  -7.873   0.501 -10.705
  312   2HG   LYS 659           HG1      LYS 659  -9.121   1.451  -9.900
  313   1HD   LYS 659           HD2      LYS 659  -7.693   2.101 -12.475
  314   2HD   LYS 659           HD1      LYS 659  -9.397   1.701 -12.267
  315   1HE   LYS 659           HE2      LYS 659  -8.007   4.161 -11.207
  316   2HE   LYS 659           HE1      LYS 659  -9.076   4.098 -12.606
  317   1HZ   LYS 659           HZ2      LYS 659 -10.872   3.383 -11.115
  318   2HZ   LYS 659           HZ1      LYS 659  -9.828   3.552  -9.790
  319   3HZ   LYS 659           HZ3      LYS 659 -10.260   4.912 -10.702
  320    H    GLN 660           HN       GLN 660  -7.335   3.317  -6.963
  321    HA   GLN 660           HA       GLN 660  -4.882   4.692  -6.690
  322   1HB   GLN 660           HB2      GLN 660  -6.971   5.857  -6.376
  323   2HB   GLN 660           HB1      GLN 660  -7.413   4.793  -5.048
  324   1HG   GLN 660           HG2      GLN 660  -5.738   5.711  -3.642
  325   2HG   GLN 660           HG1      GLN 660  -5.008   6.595  -4.981
  326   1HE2  GLN 660          1HE2      GLN 660  -5.199   8.535  -3.837
  327   2HE2  GLN 660          2HE2      GLN 660  -6.725   9.351  -3.690
  328    H    CYS 661           HN       CYS 661  -6.562   2.332  -4.651
  329    HA   CYS 661           HA       CYS 661  -4.898   2.477  -2.424
  330   1HB   CYS 661           HB2      CYS 661  -6.944   1.277  -2.251
  331   2HB   CYS 661           HB1      CYS 661  -6.481   0.168  -3.539
  332    HG   CYS 661           HG       CYS 661  -4.221   0.016  -1.181
  333    H    ALA 662           HN       ALA 662  -4.681   0.163  -5.155
  334    HA   ALA 662           HA       ALA 662  -2.400  -1.174  -4.352
  335   1HB   ALA 662           HB3      ALA 662  -3.775  -1.861  -6.253
  336   2HB   ALA 662           HB2      ALA 662  -3.190  -0.481  -7.181
  337   3HB   ALA 662           HB1      ALA 662  -2.071  -1.758  -6.701
  338    H    LYS 663           HN       LYS 663  -2.585   1.759  -6.365
  339    HA   LYS 663           HA       LYS 663   0.199   2.085  -6.698
  340   1HB   LYS 663           HB2      LYS 663  -1.500   3.227  -8.074
  341   2HB   LYS 663           HB1      LYS 663  -1.983   4.182  -6.682
  342   1HG   LYS 663           HG2      LYS 663  -0.631   5.609  -7.938
  343   2HG   LYS 663           HG1      LYS 663   0.422   5.038  -6.644
  344   1HD   LYS 663           HD2      LYS 663   0.352   3.670  -9.314
  345   2HD   LYS 663           HD1      LYS 663   1.345   5.100  -9.050
  346   1HE   LYS 663           HE2      LYS 663   2.506   3.952  -7.224
  347   2HE   LYS 663           HE1      LYS 663   1.507   2.522  -7.490
  348   1HZ   LYS 663           HZ2      LYS 663   3.302   3.702  -9.545
  349   2HZ   LYS 663           HZ1      LYS 663   3.734   2.404  -8.541
  350   3HZ   LYS 663           HZ3      LYS 663   2.459   2.236  -9.647
  351    H    ASP 664           HN       ASP 664  -2.071   3.391  -4.322
  352    HA   ASP 664           HA       ASP 664  -0.181   5.142  -3.131
  353   1HB   ASP 664           HB2      ASP 664  -2.689   5.416  -3.104
  354   2HB   ASP 664           HB1      ASP 664  -2.738   4.163  -1.869
  355    H    ILE 665           HN       ILE 665  -1.252   1.855  -2.341
  356    HA   ILE 665           HA       ILE 665  -0.012   1.801   0.215
  357    HB   ILE 665           HB       ILE 665  -1.769   0.202  -0.280
  358   1HG1  ILE 665          2HG1      ILE 665   0.757  -1.420   0.057
  359   2HG1  ILE 665          1HG1      ILE 665   0.156  -0.348   1.326
  360   1HG2  ILE 665          1HG2      ILE 665  -1.336  -0.152  -2.640
  361   2HG2  ILE 665          3HG2      ILE 665   0.150  -1.018  -2.251
  362   3HG2  ILE 665          2HG2      ILE 665  -1.410  -1.688  -1.779
  363   1HD1  ILE 665          3HD1      ILE 665  -1.391  -2.613   0.095
  364   2HD1  ILE 665          2HD1      ILE 665  -0.520  -2.690   1.628
  365   3HD1  ILE 665          1HD1      ILE 665  -1.899  -1.602   1.446
  366    H    VAL 666           HN       VAL 666   1.104   0.899  -3.032
  367    HA   VAL 666           HA       VAL 666   3.572  -0.186  -2.275
  368    HB   VAL 666           HB       VAL 666   2.803   1.331  -4.779
  369   1HG1  VAL 666          1HG1      VAL 666   5.282  -0.274  -4.199
  370   2HG1  VAL 666          3HG1      VAL 666   4.784   0.258  -5.806
  371   3HG1  VAL 666          2HG1      VAL 666   5.188   1.447  -4.569
  372   1HG2  VAL 666          1HG2      VAL 666   3.036  -1.613  -4.186
  373   2HG2  VAL 666          3HG2      VAL 666   1.546  -0.710  -4.461
  374   3HG2  VAL 666          2HG2      VAL 666   2.705  -0.919  -5.774
  375    H    LYS 667           HN       LYS 667   2.513   3.137  -2.733
  376    HA   LYS 667           HA       LYS 667   5.073   4.306  -2.219
  377   1HB   LYS 667           HB2      LYS 667   3.548   5.563  -3.510
  378   2HB   LYS 667           HB1      LYS 667   2.271   5.388  -2.317
  379   1HG   LYS 667           HG2      LYS 667   3.471   6.842  -0.786
  380   2HG   LYS 667           HG1      LYS 667   4.801   6.978  -1.938
  381   1HD   LYS 667           HD2      LYS 667   3.276   8.928  -1.982
  382   2HD   LYS 667           HD1      LYS 667   3.370   8.089  -3.531
  383   1HE   LYS 667           HE2      LYS 667   1.071   8.688  -3.023
  384   2HE   LYS 667           HE1      LYS 667   1.266   6.936  -3.028
  385   1HZ   LYS 667           HZ3      LYS 667   1.371   6.995  -0.606
  386   2HZ   LYS 667           HZ2      LYS 667   1.152   8.674  -0.618
  387   3HZ   LYS 667           HZ1      LYS 667  -0.085   7.651  -1.172
  388    H    ILE 668           HN       ILE 668   2.179   3.815  -0.189
  389    HA   ILE 668           HA       ILE 668   3.288   5.351   1.956
  390    HB   ILE 668           HB       ILE 668   0.857   5.283   1.542
  391   1HG1  ILE 668          2HG1      ILE 668   0.169   5.014   3.918
  392   2HG1  ILE 668          1HG1      ILE 668   1.738   4.293   4.258
  393   1HG2  ILE 668          1HG2      ILE 668   0.594   2.945   0.936
  394   2HG2  ILE 668          3HG2      ILE 668   1.020   2.457   2.577
  395   3HG2  ILE 668          2HG2      ILE 668  -0.467   3.360   2.283
  396   1HD1  ILE 668          1HD1      ILE 668   2.830   6.377   3.597
  397   2HD1  ILE 668          3HD1      ILE 668   1.249   7.097   3.288
  398   3HD1  ILE 668          2HD1      ILE 668   1.695   6.616   4.924
  399    H    LEU 669           HN       LEU 669   2.990   1.883   1.293
  400    HA   LEU 669           HA       LEU 669   3.608   1.046   3.923
  401   1HB   LEU 669           HB2      LEU 669   2.738  -0.220   1.701
  402   2HB   LEU 669           HB1      LEU 669   4.419  -0.711   1.695
  403    HG   LEU 669           HG       LEU 669   2.574  -1.111   4.053
  404   1HD1  LEU 669          2HD1      LEU 669   3.358  -3.032   1.869
  405   2HD1  LEU 669          1HD1      LEU 669   2.490  -3.459   3.344
  406   3HD1  LEU 669          3HD1      LEU 669   1.746  -2.380   2.166
  407   1HD2  LEU 669          1HD2      LEU 669   5.007  -1.061   4.554
  408   2HD2  LEU 669          3HD2      LEU 669   4.259  -2.628   4.863
  409   3HD2  LEU 669          2HD2      LEU 669   5.233  -2.389   3.415
  410    H    THR 670           HN       THR 670   5.643   1.702   1.081
  411    HA   THR 670           HA       THR 670   8.062   0.952   2.369
  412    HB   THR 670           HB       THR 670   8.117   1.058  -0.025
  413    HG1  THR 670           HG1      THR 670   9.981   1.907   1.326
  414   1HG2  THR 670          3HG2      THR 670   6.409   2.771  -0.394
  415   2HG2  THR 670          2HG2      THR 670   7.510   4.006   0.219
  416   3HG2  THR 670          1HG2      THR 670   7.893   3.145  -1.273
  417    H    THR 671           HN       THR 671   6.178   3.904   2.247
  418    HA   THR 671           HA       THR 671   8.042   5.631   3.444
  419    HB   THR 671           HB       THR 671   5.024   5.648   3.749
  420    HG1  THR 671           HG1      THR 671   5.766   5.767   1.552
  421   1HG2  THR 671          3HG2      THR 671   6.143   7.065   5.409
  422   2HG2  THR 671          2HG2      THR 671   7.033   7.873   4.121
  423   3HG2  THR 671          1HG2      THR 671   5.280   8.040   4.219
  424    H    LYS 672           HN       LYS 672   5.809   3.252   4.842
  425    HA   LYS 672           HA       LYS 672   6.225   3.891   7.562
  426   1HB   LYS 672           HB2      LYS 672   5.543   1.265   6.227
  427   2HB   LYS 672           HB1      LYS 672   5.580   1.483   7.968
  428   1HG   LYS 672           HG2      LYS 672   3.805   3.192   7.746
  429   2HG   LYS 672           HG1      LYS 672   3.731   2.840   6.018
  430   1HD   LYS 672           HD2      LYS 672   2.001   1.635   7.329
  431   2HD   LYS 672           HD1      LYS 672   3.094   0.551   6.463
  432   1HE   LYS 672           HE2      LYS 672   4.387   0.227   8.525
  433   2HE   LYS 672           HE1      LYS 672   3.275   1.288   9.385
  434   1HZ   LYS 672           HZ1      LYS 672   2.485  -1.254   8.064
  435   2HZ   LYS 672           HZ3      LYS 672   2.822  -1.092   9.716
  436   3HZ   LYS 672           HZ2      LYS 672   1.504  -0.266   9.041
  437    H    GLU 673           HN       GLU 673   7.812   1.605   5.387
  438    HA   GLU 673           HA       GLU 673   9.630   0.522   7.234
  439   1HB   GLU 673           HB2      GLU 673   9.971   0.861   4.246
  440   2HB   GLU 673           HB1      GLU 673  10.848  -0.268   5.267
  441   1HG   GLU 673           HG2      GLU 673   7.861  -0.353   4.976
  442   2HG   GLU 673           HG1      GLU 673   8.940  -1.191   3.864
  443    H    LEU 674           HN       LEU 674   9.958   3.154   4.896
  444    HA   LEU 674           HA       LEU 674  12.665   3.758   5.483
  445   1HB   LEU 674           HB2      LEU 674  10.531   4.787   3.798
  446   2HB   LEU 674           HB1      LEU 674  11.564   6.061   4.403
  447    HG   LEU 674           HG       LEU 674  12.343   5.355   2.236
  448   1HD1  LEU 674          2HD1      LEU 674  14.049   5.975   3.847
  449   2HD1  LEU 674          1HD1      LEU 674  14.152   4.304   4.400
  450   3HD1  LEU 674          3HD1      LEU 674  14.636   4.720   2.756
  451   1HD2  LEU 674          1HD2      LEU 674  11.358   3.117   2.224
  452   2HD2  LEU 674          3HD2      LEU 674  13.064   3.081   1.779
  453   3HD2  LEU 674          2HD2      LEU 674  12.564   2.581   3.395
  454    H    LYS 675           HN       LYS 675   9.620   4.875   6.840
  455    HA   LYS 675           HA       LYS 675  10.742   7.113   8.208
  456   1HB   LYS 675           HB2      LYS 675   8.294   6.818   7.700
  457   2HB   LYS 675           HB1      LYS 675   8.245   5.585   8.951
  458   1HG   LYS 675           HG2      LYS 675   8.897   7.228  10.622
  459   2HG   LYS 675           HG1      LYS 675   8.994   8.472   9.374
  460   1HD   LYS 675           HD2      LYS 675   6.896   8.705  10.505
  461   2HD   LYS 675           HD1      LYS 675   6.583   8.074   8.886
  462   1HE   LYS 675           HE2      LYS 675   6.433   5.804   9.828
  463   2HE   LYS 675           HE1      LYS 675   6.680   6.474  11.442
  464   1HZ   LYS 675           HZ3      LYS 675   4.656   7.896  10.932
  465   2HZ   LYS 675           HZ2      LYS 675   4.367   6.841   9.641
  466   3HZ   LYS 675           HZ1      LYS 675   4.383   6.247  11.228
  467    H    LYS 676           HN       LYS 676  10.102   3.740   9.047
  468    HA   LYS 676           HA       LYS 676  11.033   3.978  11.732
  469   1HB   LYS 676           HB2      LYS 676  10.757   1.561   9.938
  470   2HB   LYS 676           HB1      LYS 676  11.190   1.480  11.641
  471   1HG   LYS 676           HG2      LYS 676   8.611   2.525  10.495
  472   2HG   LYS 676           HG1      LYS 676   8.845   1.003  11.357
  473   1HD   LYS 676           HD2      LYS 676   9.269   3.760  12.516
  474   2HD   LYS 676           HD1      LYS 676   7.860   2.736  12.796
  475   1HE   LYS 676           HE2      LYS 676   9.276   1.053  13.845
  476   2HE   LYS 676           HE1      LYS 676  10.703   2.041  13.530
  477   1HZ   LYS 676           HZ1      LYS 676   8.407   2.849  15.233
  478   2HZ   LYS 676           HZ3      LYS 676   9.894   2.272  15.811
  479   3HZ   LYS 676           HZ2      LYS 676   9.824   3.749  14.973
  480    H    ASP 677           HN       ASP 677  12.509   2.744   8.748
  481    HA   ASP 677           HA       ASP 677  15.138   3.348   9.917
  482   1HB   ASP 677           HB2      ASP 677  14.439   0.863   8.332
  483   2HB   ASP 677           HB1      ASP 677  16.059   1.317   8.841
  484    H    SER 678           HN       SER 678  16.100   4.810   8.702
  485    HA   SER 678           HA       SER 678  15.098   5.571   6.161
  486   1HB   SER 678           HB2      SER 678  17.193   7.058   6.186
  487   2HB   SER 678           HB1      SER 678  16.012   7.303   7.474
  488    HG   SER 678           HG       SER 678  17.447   6.701   8.887
  489    H    SER 679           HN       SER 679  17.306   3.211   7.130
  490    HA   SER 679           HA       SER 679  18.102   2.839   4.324
  491   1HB   SER 679           HB2      SER 679  20.099   1.556   5.481
  492   2HB   SER 679           HB1      SER 679  20.161   3.309   5.292
  493    HG   SER 679           HG       SER 679  19.268   1.927   7.623
  494    H    ARG 680           HN       ARG 680  15.733   1.872   5.131
  495    HA   ARG 680           HA       ARG 680  16.091  -0.861   6.090
  496   1HB   ARG 680           HB2      ARG 680  14.319   0.675   6.989
  497   2HB   ARG 680           HB1      ARG 680  13.544   0.613   5.416
  498   1HG   ARG 680           HG2      ARG 680  12.843  -1.559   5.696
  499   2HG   ARG 680           HG1      ARG 680  14.098  -1.921   6.889
  500   1HD   ARG 680           HD2      ARG 680  12.991  -0.662   8.568
  501   2HD   ARG 680           HD1      ARG 680  11.890   0.058   7.396
  502    HE   ARG 680           HE       ARG 680  10.988  -2.287   7.130
  503   1HH1  ARG 680          1HH1      ARG 680  12.494  -1.175  10.108
  504   2HH1  ARG 680          2HH1      ARG 680  11.531  -2.210  11.121
  505   1HH2  ARG 680          1HH2      ARG 680   9.722  -3.624   8.444
  506   2HH2  ARG 680          2HH2      ARG 680   9.942  -3.630  10.167
  507    H    ALA 681           HN       ALA 681  16.857  -2.090   4.480
  508    HA   ALA 681           HA       ALA 681  16.143  -1.754   1.739
  509   1HB   ALA 681           HB2      ALA 681  17.593  -4.012   3.117
  510   2HB   ALA 681           HB1      ALA 681  17.513  -3.749   1.376
  511   3HB   ALA 681           HB3      ALA 681  18.338  -2.581   2.407
  512    HA   PRO 682           HA       PRO 682  12.412  -4.122   1.631
  513   1HB   PRO 682           HB2      PRO 682  13.098  -4.750  -1.156
  514   2HB   PRO 682           HB1      PRO 682  11.732  -3.829  -0.522
  515   1HG   PRO 682           HG2      PRO 682  13.776  -2.670  -1.851
  516   2HG   PRO 682           HG1      PRO 682  12.885  -1.843  -0.562
  517   1HD   PRO 682           HD2      PRO 682  15.576  -3.126  -0.494
  518   2HD   PRO 682           HD1      PRO 682  15.002  -1.657   0.321
  519    HA   PRO 683           HA       PRO 683  14.001  -8.297   2.244
  520   1HB   PRO 683           HB2      PRO 683  11.463  -9.438   2.269
  521   2HB   PRO 683           HB1      PRO 683  12.321  -8.829   3.687
  522   1HG   PRO 683           HG2      PRO 683  10.191  -7.531   2.054
  523   2HG   PRO 683           HG1      PRO 683  10.471  -7.456   3.803
  524   1HD   PRO 683           HD2      PRO 683  11.119  -5.420   2.171
  525   2HD   PRO 683           HD1      PRO 683  12.102  -5.825   3.597
  526    H    ASP 684           HN       ASP 684  14.319 -10.036   0.835
  527    HA   ASP 684           HA       ASP 684  14.244  -9.455  -1.859
  528   1HB   ASP 684           HB2      ASP 684  14.426 -12.129  -0.476
  529   2HB   ASP 684           HB1      ASP 684  14.596 -11.943  -2.226
  530    H    ASP 685           HN       ASP 685  11.991 -11.550  -0.091
  531    HA   ASP 685           HA       ASP 685   9.967 -10.936  -2.103
  532   1HB   ASP 685           HB2      ASP 685  10.950 -13.691  -1.410
  533   2HB   ASP 685           HB1      ASP 685   9.281 -13.444  -1.915
  534    H    LEU 686           HN       LEU 686   7.840 -11.693  -1.456
  535    HA   LEU 686           HA       LEU 686   7.219 -10.637   1.121
  536   1HB   LEU 686           HB2      LEU 686   5.945 -10.435  -1.077
  537   2HB   LEU 686           HB1      LEU 686   5.404 -12.077  -0.808
  538    HG   LEU 686           HG       LEU 686   3.844 -10.136  -0.190
  539   1HD1  LEU 686          3HD1      LEU 686   4.438 -12.340   1.753
  540   2HD1  LEU 686          2HD1      LEU 686   2.951 -11.385   1.708
  541   3HD1  LEU 686          1HD1      LEU 686   3.376 -12.424   0.348
  542   1HD2  LEU 686          3HD2      LEU 686   5.706 -10.069   2.180
  543   2HD2  LEU 686          2HD2      LEU 686   5.382  -8.753   1.048
  544   3HD2  LEU 686          1HD2      LEU 686   4.109  -9.325   2.127
  545    H    THR 687           HN       THR 687   8.048 -11.892   2.705
  546    HA   THR 687           HA       THR 687   7.575 -14.731   2.820
  547    HB   THR 687           HB       THR 687   8.602 -14.495   5.124
  548    HG1  THR 687           HG1      THR 687   9.808 -12.258   5.049
  549   1HG2  THR 687          3HG2      THR 687   9.924 -15.107   3.144
  550   2HG2  THR 687          2HG2      THR 687  10.202 -13.398   2.809
  551   3HG2  THR 687          1HG2      THR 687  10.861 -14.128   4.274
  552    H    LYS 688           HN       LYS 688   6.615 -15.632   4.952
  553    HA   LYS 688           HA       LYS 688   3.916 -14.825   5.001
  554   1HB   LYS 688           HB2      LYS 688   5.418 -16.611   6.923
  555   2HB   LYS 688           HB1      LYS 688   3.667 -16.449   6.854
  556   1HG   LYS 688           HG2      LYS 688   3.685 -17.294   4.554
  557   2HG   LYS 688           HG1      LYS 688   5.436 -17.474   4.640
  558   1HD   LYS 688           HD2      LYS 688   4.410 -19.610   5.023
  559   2HD   LYS 688           HD1      LYS 688   5.136 -19.048   6.530
  560   1HE   LYS 688           HE2      LYS 688   2.954 -18.323   7.325
  561   2HE   LYS 688           HE1      LYS 688   2.220 -18.814   5.799
  562   1HZ   LYS 688           HZ1      LYS 688   2.939 -21.100   6.271
  563   2HZ   LYS 688           HZ3      LYS 688   3.518 -20.597   7.782
  564   3HZ   LYS 688           HZ2      LYS 688   1.865 -20.506   7.442
  565    H    GLY 689           HN       GLY 689   6.616 -14.149   7.165
  566   1HA   GLY 689           HA1      GLY 689   6.840 -12.660   8.899
  567   2HA   GLY 689           HA2      GLY 689   5.145 -12.958   9.258
  568    H    LYS 690           HN       LYS 690   6.831 -11.447   6.503
  569    HA   LYS 690           HA       LYS 690   5.883  -8.831   7.094
  570   1HB   LYS 690           HB2      LYS 690   7.763  -9.901   5.359
  571   2HB   LYS 690           HB1      LYS 690   6.505  -9.324   4.277
  572   1HG   LYS 690           HG2      LYS 690   7.988  -7.697   6.334
  573   2HG   LYS 690           HG1      LYS 690   8.189  -7.621   4.584
  574   1HD   LYS 690           HD2      LYS 690   5.784  -6.933   4.431
  575   2HD   LYS 690           HD1      LYS 690   5.766  -6.826   6.190
  576   1HE   LYS 690           HE2      LYS 690   7.551  -5.252   4.336
  577   2HE   LYS 690           HE1      LYS 690   6.115  -4.636   5.146
  578   1HZ   LYS 690           HZ2      LYS 690   7.299  -5.237   7.288
  579   2HZ   LYS 690           HZ1      LYS 690   8.697  -5.432   6.354
  580   3HZ   LYS 690           HZ3      LYS 690   7.926  -3.921   6.419
  581    H    ARG 691           HN       ARG 691   4.719 -11.513   5.183
  582    HA   ARG 691           HA       ARG 691   2.699 -10.318   3.700
  583   1HB   ARG 691           HB2      ARG 691   3.194 -12.582   3.246
  584   2HB   ARG 691           HB1      ARG 691   2.959 -13.054   4.911
  585   1HG   ARG 691           HG2      ARG 691   0.544 -12.535   4.663
  586   2HG   ARG 691           HG1      ARG 691   0.832 -12.204   2.957
  587   1HD   ARG 691           HD2      ARG 691   1.400 -14.829   4.323
  588   2HD   ARG 691           HD1      ARG 691  -0.055 -14.470   3.397
  589    HE   ARG 691           HE       ARG 691   2.603 -14.331   2.139
  590   1HH1  ARG 691          1HH1      ARG 691  -0.642 -15.636   2.303
  591   2HH1  ARG 691          2HH1      ARG 691  -0.515 -16.480   0.784
  592   1HH2  ARG 691          1HH2      ARG 691   2.775 -15.434   0.133
  593   2HH2  ARG 691          2HH2      ARG 691   1.417 -16.358  -0.450
  594    H    HIS 692           HN       HIS 692   2.535 -11.676   6.985
  595    HA   HIS 692           HA       HIS 692  -0.201 -11.138   7.361
  596   1HB   HIS 692           HB2      HIS 692   1.119 -12.673   8.796
  597   2HB   HIS 692           HB1      HIS 692   1.961 -11.286   9.475
  598    HD1  HIS 692           HD1      HIS 692  -1.544 -12.741   9.285
  599    HD2  HIS 692           HD2      HIS 692   0.726 -10.145  11.617
  600    HE1  HIS 692           HE1      HIS 692  -2.980 -12.178  11.276
  601    HE2  HIS 692           HE2      HIS 692  -1.613 -10.555  12.636
  602    H    LYS 693           HN       LYS 693   2.689  -9.221   7.993
  603    HA   LYS 693           HA       LYS 693   1.326  -7.105   9.309
  604   1HB   LYS 693           HB2      LYS 693   4.065  -7.230   8.052
  605   2HB   LYS 693           HB1      LYS 693   3.465  -5.845   8.960
  606   1HG   LYS 693           HG2      LYS 693   3.089  -7.410  10.893
  607   2HG   LYS 693           HG1      LYS 693   3.963  -8.632   9.969
  608   1HD   LYS 693           HD2      LYS 693   5.939  -7.251   9.921
  609   2HD   LYS 693           HD1      LYS 693   5.071  -5.928  10.706
  610   1HE   LYS 693           HE2      LYS 693   4.711  -7.401  12.671
  611   2HE   LYS 693           HE1      LYS 693   5.703  -8.630  11.888
  612   1HZ   LYS 693           HZ1      LYS 693   6.627  -5.902  12.616
  613   2HZ   LYS 693           HZ3      LYS 693   6.949  -7.308  13.503
  614   3HZ   LYS 693           HZ2      LYS 693   7.577  -7.135  11.939
  615    H    VAL 694           HN       VAL 694   2.163  -7.665   5.905
  616    HA   VAL 694           HA       VAL 694   1.288  -5.033   5.142
  617    HB   VAL 694           HB       VAL 694   1.388  -5.784   2.820
  618   1HG1  VAL 694          3HG1      VAL 694   3.770  -6.618   4.464
  619   2HG1  VAL 694          2HG1      VAL 694   3.786  -6.318   2.727
  620   3HG1  VAL 694          1HG1      VAL 694   3.425  -5.002   3.844
  621   1HG2  VAL 694          3HG2      VAL 694   0.588  -8.064   3.069
  622   2HG2  VAL 694          2HG2      VAL 694   2.143  -8.035   2.238
  623   3HG2  VAL 694          1HG2      VAL 694   2.059  -8.504   3.937
  624    H    LYS 695           HN       LYS 695  -0.162  -8.183   5.483
  625    HA   LYS 695           HA       LYS 695  -2.566  -7.623   4.072
  626   1HB   LYS 695           HB2      LYS 695  -1.719  -9.909   4.501
  627   2HB   LYS 695           HB1      LYS 695  -2.032  -9.693   6.216
  628   1HG   LYS 695           HG2      LYS 695  -4.304  -9.300   4.347
  629   2HG   LYS 695           HG1      LYS 695  -3.720 -10.946   4.599
  630   1HD   LYS 695           HD2      LYS 695  -4.029 -10.689   7.013
  631   2HD   LYS 695           HD1      LYS 695  -4.597  -9.036   6.767
  632   1HE   LYS 695           HE2      LYS 695  -6.504  -9.832   5.518
  633   2HE   LYS 695           HE1      LYS 695  -5.908 -11.489   5.607
  634   1HZ   LYS 695           HZ3      LYS 695  -6.633  -9.857   7.980
  635   2HZ   LYS 695           HZ2      LYS 695  -7.682 -10.959   7.229
  636   3HZ   LYS 695           HZ1      LYS 695  -6.252 -11.510   7.952
  637    H    GLU 696           HN       GLU 696  -1.694  -7.523   7.537
  638    HA   GLU 696           HA       GLU 696  -4.286  -6.760   8.398
  639   1HB   GLU 696           HB2      GLU 696  -3.194  -6.101  10.511
  640   2HB   GLU 696           HB1      GLU 696  -2.716  -7.707   9.984
  641   1HG   GLU 696           HG2      GLU 696  -0.609  -6.798   9.139
  642   2HG   GLU 696           HG1      GLU 696  -1.095  -5.190   9.676
  643    H    PHE 697           HN       PHE 697  -1.432  -4.952   7.406
  644    HA   PHE 697           HA       PHE 697  -2.391  -2.383   8.047
  645   1HB   PHE 697           HB2      PHE 697  -0.064  -2.564   7.591
  646   2HB   PHE 697           HB1      PHE 697  -0.351  -3.350   6.043
  647    HD1  PHE 697           HD1      PHE 697  -0.896  -0.123   7.821
  648    HD2  PHE 697           HD2      PHE 697  -0.345  -2.113   4.101
  649    HE1  PHE 697           HE1      PHE 697  -0.791   2.052   6.674
  650    HE2  PHE 697           HE2      PHE 697  -0.230   0.056   2.951
  651    HZ   PHE 697           HZ       PHE 697  -0.460   2.142   4.234
  652    H    ILE 698           HN       ILE 698  -2.439  -4.185   4.958
  653    HA   ILE 698           HA       ILE 698  -3.808  -2.167   3.558
  654    HB   ILE 698           HB       ILE 698  -2.583  -3.930   2.372
  655   1HG1  ILE 698          2HG1      ILE 698  -4.191  -4.333   0.583
  656   2HG1  ILE 698          1HG1      ILE 698  -5.522  -3.954   1.669
  657   1HG2  ILE 698          1HG2      ILE 698  -4.805  -5.759   3.265
  658   2HG2  ILE 698          3HG2      ILE 698  -3.567  -6.160   2.076
  659   3HG2  ILE 698          2HG2      ILE 698  -3.112  -5.849   3.751
  660   1HD1  ILE 698          2HD1      ILE 698  -4.655  -1.660   1.867
  661   2HD1  ILE 698          1HD1      ILE 698  -3.410  -2.064   0.686
  662   3HD1  ILE 698          3HD1      ILE 698  -5.108  -2.099   0.221
  663    H    ASN 699           HN       ASN 699  -4.964  -4.899   5.462
  664    HA   ASN 699           HA       ASN 699  -7.662  -4.844   4.754
  665   1HB   ASN 699           HB2      ASN 699  -6.867  -6.659   6.063
  666   2HB   ASN 699           HB1      ASN 699  -6.254  -5.584   7.317
  667   1HD2  ASN 699          1HD2      ASN 699  -7.668  -4.699   8.793
  668   2HD2  ASN 699          2HD2      ASN 699  -9.268  -5.319   9.031
  669    H    SER 700           HN       SER 700  -6.075  -3.160   7.473
  670    HA   SER 700           HA       SER 700  -8.374  -1.698   8.242
  671   1HB   SER 700           HB2      SER 700  -6.368  -2.134   9.685
  672   2HB   SER 700           HB1      SER 700  -5.495  -0.955   8.717
  673    HG   SER 700           HG       SER 700  -7.936  -0.136   9.769
  674    H    TYR 701           HN       TYR 701  -5.764  -1.128   6.005
  675    HA   TYR 701           HA       TYR 701  -6.191   1.584   5.458
  676   1HB   TYR 701           HB2      TYR 701  -4.173   0.367   4.811
  677   2HB   TYR 701           HB1      TYR 701  -5.105  -0.619   3.695
  678    HD1  TYR 701           HD1      TYR 701  -5.189  -0.006   1.461
  679    HD2  TYR 701           HD2      TYR 701  -4.269   2.942   4.380
  680    HE1  TYR 701           HE1      TYR 701  -4.753   1.623  -0.329
  681    HE2  TYR 701           HE2      TYR 701  -3.835   4.577   2.610
  682    HH   TYR 701           HH       TYR 701  -4.733   4.116  -0.598
  683    H    MET 702           HN       MET 702  -7.550  -1.334   3.954
  684    HA   MET 702           HA       MET 702  -9.064  -0.182   1.906
  685   1HB   MET 702           HB2      MET 702  -9.892  -2.521   3.638
  686   2HB   MET 702           HB1      MET 702 -10.468  -2.163   2.017
  687   1HG   MET 702           HG2      MET 702  -8.428  -2.736   1.047
  688   2HG   MET 702           HG1      MET 702  -7.587  -2.696   2.593
  689   1HE   MET 702           HE1      MET 702  -6.444  -4.920   2.137
  690   2HE   MET 702           HE3      MET 702  -7.270  -6.419   1.702
  691   3HE   MET 702           HE2      MET 702  -7.234  -5.073   0.562
  692    H    ASP 703           HN       ASP 703  -9.945  -0.951   5.226
  693    HA   ASP 703           HA       ASP 703 -12.579  -0.078   5.234
  694   1HB   ASP 703           HB2      ASP 703 -11.620  -1.382   7.051
  695   2HB   ASP 703           HB1      ASP 703 -10.530  -0.064   7.464
  696    H    LYS 704           HN       LYS 704  -9.595   1.723   5.601
  697    HA   LYS 704           HA       LYS 704 -10.899   4.143   6.415
  698   1HB   LYS 704           HB2      LYS 704  -8.584   3.606   7.095
  699   2HB   LYS 704           HB1      LYS 704  -8.075   3.737   5.415
  700   1HG   LYS 704           HG2      LYS 704  -8.592   6.061   5.364
  701   2HG   LYS 704           HG1      LYS 704  -9.363   5.980   6.948
  702   1HD   LYS 704           HD2      LYS 704  -7.140   5.306   7.891
  703   2HD   LYS 704           HD1      LYS 704  -6.437   5.661   6.310
  704   1HE   LYS 704           HE2      LYS 704  -6.202   7.560   7.841
  705   2HE   LYS 704           HE1      LYS 704  -7.222   7.962   6.460
  706   1HZ   LYS 704           HZ3      LYS 704  -8.285   7.116   9.099
  707   2HZ   LYS 704           HZ2      LYS 704  -8.091   8.733   8.645
  708   3HZ   LYS 704           HZ1      LYS 704  -9.170   7.740   7.793
  709    H    ILE 705           HN       ILE 705  -9.812   2.778   3.356
  710    HA   ILE 705           HA       ILE 705 -10.041   5.243   1.923
  711    HB   ILE 705           HB       ILE 705 -10.044   2.441   0.751
  712   1HG1  ILE 705          2HG1      ILE 705  -8.044   2.923   2.170
  713   2HG1  ILE 705          1HG1      ILE 705  -7.657   2.700   0.468
  714   1HG2  ILE 705          2HG2      ILE 705 -10.844   4.195  -0.767
  715   2HG2  ILE 705          1HG2      ILE 705  -9.393   5.144  -0.445
  716   3HG2  ILE 705          3HG2      ILE 705  -9.265   3.592  -1.272
  717   1HD1  ILE 705          2HD1      ILE 705  -7.902   5.345   1.881
  718   2HD1  ILE 705          1HD1      ILE 705  -6.399   4.534   1.441
  719   3HD1  ILE 705          3HD1      ILE 705  -7.492   5.107   0.181
  720    H    ILE 706           HN       ILE 706 -12.158   2.520   2.578
  721    HA   ILE 706           HA       ILE 706 -14.259   3.283   0.835
  722    HB   ILE 706           HB       ILE 706 -14.414   1.720   3.420
  723   1HG1  ILE 706          2HG1      ILE 706 -14.236   0.752   0.556
  724   2HG1  ILE 706          1HG1      ILE 706 -12.910   0.727   1.714
  725   1HG2  ILE 706          1HG2      ILE 706 -16.386   1.972   1.148
  726   2HG2  ILE 706          3HG2      ILE 706 -16.532   0.848   2.501
  727   3HG2  ILE 706          2HG2      ILE 706 -16.588   2.587   2.789
  728   1HD1  ILE 706          2HD1      ILE 706 -15.505  -0.760   2.025
  729   2HD1  ILE 706          1HD1      ILE 706 -13.986  -1.457   1.459
  730   3HD1  ILE 706          3HD1      ILE 706 -14.111  -0.834   3.104
  731    H    LEU 707           HN       LEU 707 -13.567   3.890   4.242
  732    HA   LEU 707           HA       LEU 707 -15.825   5.502   4.787
  733   1HB   LEU 707           HB2      LEU 707 -14.433   4.472   6.534
  734   2HB   LEU 707           HB1      LEU 707 -13.094   5.507   6.083
  735    HG   LEU 707           HG       LEU 707 -14.453   7.485   6.760
  736   1HD1  LEU 707          2HD1      LEU 707 -16.665   6.499   6.475
  737   2HD1  LEU 707          1HD1      LEU 707 -16.352   5.397   7.814
  738   3HD1  LEU 707          3HD1      LEU 707 -16.454   7.132   8.106
  739   1HD2  LEU 707          1HD2      LEU 707 -12.811   6.505   8.276
  740   2HD2  LEU 707          3HD2      LEU 707 -14.204   7.121   9.167
  741   3HD2  LEU 707          2HD2      LEU 707 -14.030   5.387   8.888
  742    H    LYS 708           HN       LYS 708 -12.691   6.161   3.405
  743    HA   LYS 708           HA       LYS 708 -12.595   8.944   3.660
  744   1HB   LYS 708           HB2      LYS 708 -10.752   7.350   2.944
  745   2HB   LYS 708           HB1      LYS 708 -11.489   7.338   1.351
  746   1HG   LYS 708           HG2      LYS 708 -10.590   9.882   2.667
  747   2HG   LYS 708           HG1      LYS 708  -9.493   8.871   1.730
  748   1HD   LYS 708           HD2      LYS 708 -11.159   9.058  -0.170
  749   2HD   LYS 708           HD1      LYS 708 -11.963  10.306   0.784
  750   1HE   LYS 708           HE2      LYS 708 -10.457  11.344  -0.786
  751   2HE   LYS 708           HE1      LYS 708  -9.845  11.571   0.854
  752   1HZ   LYS 708           HZ3      LYS 708  -8.319   9.714   0.492
  753   2HZ   LYS 708           HZ2      LYS 708  -8.899   9.529  -1.090
  754   3HZ   LYS 708           HZ1      LYS 708  -8.068  10.940  -0.651
  755    H    LYS 709           HN       LYS 709 -13.833   6.943   0.978
  756    HA   LYS 709           HA       LYS 709 -14.708   9.237  -0.503
  757   1HB   LYS 709           HB2      LYS 709 -14.014   7.045  -1.536
  758   2HB   LYS 709           HB1      LYS 709 -15.517   6.355  -0.941
  759   1HG   LYS 709           HG2      LYS 709 -15.690   8.818  -2.585
  760   2HG   LYS 709           HG1      LYS 709 -15.270   7.313  -3.401
  761   1HD   LYS 709           HD2      LYS 709 -17.647   7.534  -1.571
  762   2HD   LYS 709           HD1      LYS 709 -17.744   7.938  -3.287
  763   1HE   LYS 709           HE2      LYS 709 -16.743   5.292  -2.259
  764   2HE   LYS 709           HE1      LYS 709 -18.431   5.593  -2.669
  765   1HZ   LYS 709           HZ3      LYS 709 -16.191   5.998  -4.582
  766   2HZ   LYS 709           HZ2      LYS 709 -17.076   4.550  -4.470
  767   3HZ   LYS 709           HZ1      LYS 709 -17.850   5.987  -4.917
  768    H    LYS 710           HN       LYS 710 -16.213   6.931   1.695
  769    HA   LYS 710           HA       LYS 710 -18.878   7.793   1.239
  770   1HB   LYS 710           HB2      LYS 710 -17.643   6.387   3.600
  771   2HB   LYS 710           HB1      LYS 710 -19.362   6.729   3.461
  772   1HG   LYS 710           HG2      LYS 710 -19.315   5.429   1.293
  773   2HG   LYS 710           HG1      LYS 710 -17.691   4.910   1.754
  774   1HD   LYS 710           HD2      LYS 710 -19.266   3.225   2.442
  775   2HD   LYS 710           HD1      LYS 710 -18.634   4.029   3.880
  776   1HE   LYS 710           HE2      LYS 710 -20.657   5.472   3.892
  777   2HE   LYS 710           HE1      LYS 710 -21.293   4.530   2.546
  778   1HZ   LYS 710           HZ2      LYS 710 -21.153   2.544   3.987
  779   2HZ   LYS 710           HZ1      LYS 710 -20.686   3.539   5.278
  780   3HZ   LYS 710           HZ3      LYS 710 -22.221   3.725   4.580
  781    H    GLN 711           HN       GLN 711 -16.271   9.102   3.054
  782    HA   GLN 711           HA       GLN 711 -17.620  10.636   4.954
  783   1HB   GLN 711           HB2      GLN 711 -15.092  10.247   4.637
  784   2HB   GLN 711           HB1      GLN 711 -15.156  11.585   3.501
  785   1HG   GLN 711           HG2      GLN 711 -14.434  12.411   5.616
  786   2HG   GLN 711           HG1      GLN 711 -16.064  13.012   5.311
  787   1HE2  GLN 711          1HE2      GLN 711 -14.112  10.832   7.201
  788   2HE2  GLN 711          2HE2      GLN 711 -15.297  10.522   8.422
  789    H    LYS 712           HN       LYS 712 -17.104  11.133   1.536
  790    HA   LYS 712           HA       LYS 712 -18.197  13.822   1.562
  791   1HB   LYS 712           HB2      LYS 712 -17.015  12.007  -0.489
  792   2HB   LYS 712           HB1      LYS 712 -18.132  13.244  -1.045
  793   1HG   LYS 712           HG2      LYS 712 -15.827  13.991  -1.211
  794   2HG   LYS 712           HG1      LYS 712 -16.736  14.974  -0.066
  795   1HD   LYS 712           HD2      LYS 712 -15.746  13.741   1.793
  796   2HD   LYS 712           HD1      LYS 712 -14.860  12.722   0.656
  797   1HE   LYS 712           HE2      LYS 712 -13.415  14.459   1.542
  798   2HE   LYS 712           HE1      LYS 712 -13.678  14.690  -0.184
  799   1HZ   LYS 712           HZ3      LYS 712 -15.327  16.398   0.337
  800   2HZ   LYS 712           HZ2      LYS 712 -15.050  16.178   1.996
  801   3HZ   LYS 712           HZ1      LYS 712 -13.814  16.780   1.004
  802    H    LYS 713           HN       LYS 713 -19.156  10.560   0.772
  803    HA   LYS 713           HA       LYS 713 -21.739  11.483  -0.238
  804   1HB   LYS 713           HB2      LYS 713 -20.429   8.766  -0.229
  805   2HB   LYS 713           HB1      LYS 713 -22.061   9.057  -0.813
  806   1HG   LYS 713           HG2      LYS 713 -19.533  10.258  -1.923
  807   2HG   LYS 713           HG1      LYS 713 -20.495   8.974  -2.657
  808   1HD   LYS 713           HD2      LYS 713 -22.411  10.552  -2.772
  809   2HD   LYS 713           HD1      LYS 713 -21.353  11.826  -2.165
  810   1HE   LYS 713           HE2      LYS 713 -19.896  11.529  -4.120
  811   2HE   LYS 713           HE1      LYS 713 -20.977  10.273  -4.726
  812   1HZ   LYS 713           HZ1      LYS 713 -22.765  12.060  -4.620
  813   2HZ   LYS 713           HZ3      LYS 713 -21.494  13.178  -4.476
  814   3HZ   LYS 713           HZ2      LYS 713 -21.608  12.196  -5.853
  815    H    ALA 714           HN       ALA 714 -20.904  11.500   2.654
  816    HA   ALA 714           HA       ALA 714 -22.776   9.645   3.865
  817   1HB   ALA 714           HB3      ALA 714 -21.211  11.894   5.133
  818   2HB   ALA 714           HB1      ALA 714 -20.671  10.219   5.005
  819   3HB   ALA 714           HB2      ALA 714 -22.086  10.618   5.981

  No H/Q in entry =         819
  Start of MODEL    4
    1    H    VAL 622           HN       VAL 622  22.802  12.254  -0.351
    2    HA   VAL 622           HA       VAL 622  23.844  11.519  -2.966
    3    HB   VAL 622           HB       VAL 622  24.772  10.544  -0.852
    4   1HG1  VAL 622          2HG1      VAL 622  22.157   9.069  -0.842
    5   2HG1  VAL 622          1HG1      VAL 622  23.554   8.664   0.155
    6   3HG1  VAL 622          3HG1      VAL 622  22.734  10.209   0.371
    7   1HG2  VAL 622          2HG2      VAL 622  25.197   9.523  -3.018
    8   2HG2  VAL 622          1HG2      VAL 622  25.030   8.289  -1.769
    9   3HG2  VAL 622          3HG2      VAL 622  23.703   8.597  -2.890
   10    H    SER 623           HN       SER 623  20.912  11.459  -1.172
   11    HA   SER 623           HA       SER 623  18.760  11.084  -1.734
   12   1HB   SER 623           HB2      SER 623  19.799  11.236  -4.570
   13   2HB   SER 623           HB1      SER 623  18.123  11.451  -4.058
   14    HG   SER 623           HG       SER 623  18.973  13.482  -4.223
   15    H    GLN 624           HN       GLN 624  20.738   8.717  -1.661
   16    HA   GLN 624           HA       GLN 624  19.826   6.765  -3.469
   17   1HB   GLN 624           HB2      GLN 624  21.090   6.502  -0.744
   18   2HB   GLN 624           HB1      GLN 624  20.718   5.119  -1.763
   19   1HG   GLN 624           HG2      GLN 624  22.187   6.043  -3.506
   20   2HG   GLN 624           HG1      GLN 624  22.595   7.376  -2.426
   21   1HE2  GLN 624          1HE2      GLN 624  22.998   3.996  -3.098
   22   2HE2  GLN 624          2HE2      GLN 624  24.282   3.717  -1.961
   23    H    SER 625           HN       SER 625  18.701   7.730  -0.279
   24    HA   SER 625           HA       SER 625  16.979   5.590   0.214
   25   1HB   SER 625           HB2      SER 625  16.497   8.409   1.161
   26   2HB   SER 625           HB1      SER 625  16.113   6.893   1.982
   27    HG   SER 625           HG       SER 625  18.050   6.883   2.781
   28    H    GLN 626           HN       GLN 626  16.557   8.433  -1.778
   29    HA   GLN 626           HA       GLN 626  13.706   8.250  -1.929
   30   1HB   GLN 626           HB2      GLN 626  14.926  10.360  -2.367
   31   2HB   GLN 626           HB1      GLN 626  15.623   9.639  -3.812
   32   1HG   GLN 626           HG2      GLN 626  13.414   9.413  -4.793
   33   2HG   GLN 626           HG1      GLN 626  12.686  10.073  -3.329
   34   1HE2  GLN 626          1HE2      GLN 626  12.883  12.246  -2.878
   35   2HE2  GLN 626          2HE2      GLN 626  13.369  13.400  -4.081
   36    H    ARG 627           HN       ARG 627  16.401   7.183  -3.943
   37    HA   ARG 627           HA       ARG 627  14.752   5.935  -5.916
   38   1HB   ARG 627           HB2      ARG 627  17.671   5.534  -5.229
   39   2HB   ARG 627           HB1      ARG 627  16.873   4.835  -6.629
   40   1HG   ARG 627           HG2      ARG 627  16.430   7.056  -7.511
   41   2HG   ARG 627           HG1      ARG 627  17.179   7.781  -6.087
   42   1HD   ARG 627           HD2      ARG 627  18.719   7.747  -7.987
   43   2HD   ARG 627           HD1      ARG 627  19.308   6.742  -6.663
   44    HE   ARG 627           HE       ARG 627  17.804   5.402  -8.768
   45   1HH1  ARG 627          1HH1      ARG 627  20.944   6.235  -7.452
   46   2HH1  ARG 627          2HH1      ARG 627  21.772   4.938  -8.270
   47   1HH2  ARG 627          1HH2      ARG 627  18.878   3.726  -9.856
   48   2HH2  ARG 627          2HH2      ARG 627  20.592   3.503  -9.650
   49    H    LEU 628           HN       LEU 628  16.179   5.018  -2.895
   50    HA   LEU 628           HA       LEU 628  15.927   2.240  -3.005
   51   1HB   LEU 628           HB2      LEU 628  17.152   3.585  -1.289
   52   2HB   LEU 628           HB1      LEU 628  15.611   4.023  -0.588
   53    HG   LEU 628           HG       LEU 628  16.999   2.140   0.497
   54   1HD1  LEU 628          3HD1      LEU 628  14.092   1.731  -0.108
   55   2HD1  LEU 628          2HD1      LEU 628  14.996   0.953   1.192
   56   3HD1  LEU 628          1HD1      LEU 628  14.766   2.701   1.201
   57   1HD2  LEU 628          2HD2      LEU 628  17.457   0.883  -1.532
   58   2HD2  LEU 628          1HD2      LEU 628  16.567  -0.094  -0.367
   59   3HD2  LEU 628          3HD2      LEU 628  15.731   0.603  -1.755
   60    H    GLU 629           HN       GLU 629  13.578   4.742  -2.121
   61    HA   GLU 629           HA       GLU 629  11.514   3.020  -1.310
   62   1HB   GLU 629           HB2      GLU 629  11.429   5.781  -2.517
   63   2HB   GLU 629           HB1      GLU 629   9.981   4.927  -2.007
   64   1HG   GLU 629           HG2      GLU 629  10.967   4.768   0.275
   65   2HG   GLU 629           HG1      GLU 629  12.281   5.804  -0.280
   66    H    HIS 630           HN       HIS 630  12.579   4.025  -4.493
   67    HA   HIS 630           HA       HIS 630  10.314   3.010  -5.890
   68   1HB   HIS 630           HB2      HIS 630  11.825   4.721  -6.860
   69   2HB   HIS 630           HB1      HIS 630  13.106   3.519  -6.947
   70    HD1  HIS 630           HD1      HIS 630   9.666   4.214  -8.403
   71    HD2  HIS 630           HD2      HIS 630  13.110   2.025  -9.229
   72    HE1  HIS 630           HE1      HIS 630   9.333   3.264 -10.704
   73    HE2  HIS 630           HE2      HIS 630  11.365   1.836 -11.138
   74    H    ASN 631           HN       ASN 631  13.427   1.665  -4.921
   75    HA   ASN 631           HA       ASN 631  13.116  -0.852  -6.202
   76   1HB   ASN 631           HB2      ASN 631  14.683  -0.026  -3.746
   77   2HB   ASN 631           HB1      ASN 631  14.741  -1.649  -4.425
   78   1HD2  ASN 631          1HD2      ASN 631  14.584  -0.847  -7.155
   79   2HD2  ASN 631          2HD2      ASN 631  16.097  -0.119  -7.561
   80    H    TRP 632           HN       TRP 632  12.349   0.351  -2.978
   81    HA   TRP 632           HA       TRP 632  11.027  -1.855  -1.930
   82   1HB   TRP 632           HB2      TRP 632  11.131   1.021  -1.456
   83   2HB   TRP 632           HB1      TRP 632   9.566   0.335  -1.052
   84    HD1  TRP 632           HD1      TRP 632  12.949   0.847   0.364
   85    HE1  TRP 632           HE1      TRP 632  13.185  -0.448   2.580
   86    HE3  TRP 632           HE3      TRP 632   8.816  -2.099   0.001
   87    HZ2  TRP 632           HZ2      TRP 632  11.768  -2.460   3.993
   88    HZ3  TRP 632           HZ3      TRP 632   8.314  -3.676   1.815
   89    HH2  TRP 632           HH2      TRP 632   9.753  -3.855   3.759
   90    H    ASN 633           HN       ASN 633   9.916   0.603  -4.189
   91    HA   ASN 633           HA       ASN 633   7.189  -0.029  -4.194
   92   1HB   ASN 633           HB2      ASN 633   8.893   1.122  -6.410
   93   2HB   ASN 633           HB1      ASN 633   7.141   1.001  -6.477
   94   1HD2  ASN 633          1HD2      ASN 633   7.079   1.590  -3.508
   95   2HD2  ASN 633          2HD2      ASN 633   7.275   3.299  -3.419
   96    H    LYS 634           HN       LYS 634   9.845  -1.289  -6.187
   97    HA   LYS 634           HA       LYS 634   8.229  -2.900  -7.845
   98   1HB   LYS 634           HB2      LYS 634  11.139  -3.175  -7.085
   99   2HB   LYS 634           HB1      LYS 634  10.348  -4.156  -8.311
  100   1HG   LYS 634           HG2      LYS 634   9.759  -1.997  -9.480
  101   2HG   LYS 634           HG1      LYS 634  10.859  -1.196  -8.357
  102   1HD   LYS 634           HD2      LYS 634  11.993  -1.710 -10.451
  103   2HD   LYS 634           HD1      LYS 634  12.683  -2.650  -9.126
  104   1HE   LYS 634           HE2      LYS 634  11.351  -4.585  -9.803
  105   2HE   LYS 634           HE1      LYS 634  10.649  -3.646 -11.118
  106   1HZ   LYS 634           HZ3      LYS 634  13.549  -4.211 -10.845
  107   2HZ   LYS 634           HZ2      LYS 634  12.488  -5.121 -11.805
  108   3HZ   LYS 634           HZ1      LYS 634  12.768  -3.489 -12.167
  109    H    PHE 635           HN       PHE 635   9.702  -3.455  -4.715
  110    HA   PHE 635           HA       PHE 635   9.208  -6.195  -4.463
  111   1HB   PHE 635           HB2      PHE 635  10.582  -5.121  -2.837
  112   2HB   PHE 635           HB1      PHE 635   9.310  -3.981  -2.415
  113    HD1  PHE 635           HD1      PHE 635   8.804  -4.315  -0.208
  114    HD2  PHE 635           HD2      PHE 635   9.247  -7.699  -2.745
  115    HE1  PHE 635           HE1      PHE 635   8.082  -5.778   1.629
  116    HE2  PHE 635           HE2      PHE 635   8.522  -9.168  -0.910
  117    HZ   PHE 635           HZ       PHE 635   7.941  -8.209   1.280
  118    H    PHE 636           HN       PHE 636   7.148  -3.482  -3.353
  119    HA   PHE 636           HA       PHE 636   5.018  -5.187  -2.585
  120   1HB   PHE 636           HB2      PHE 636   5.193  -2.215  -3.042
  121   2HB   PHE 636           HB1      PHE 636   3.688  -3.003  -2.574
  122    HD1  PHE 636           HD1      PHE 636   4.437  -4.952  -0.592
  123    HD2  PHE 636           HD2      PHE 636   6.025  -1.067  -1.264
  124    HE1  PHE 636           HE1      PHE 636   5.128  -4.823   1.761
  125    HE2  PHE 636           HE2      PHE 636   6.716  -0.934   1.081
  126    HZ   PHE 636           HZ       PHE 636   6.258  -2.971   2.604
  127    H    ALA 637           HN       ALA 637   5.840  -3.533  -5.536
  128    HA   ALA 637           HA       ALA 637   3.461  -3.792  -6.961
  129   1HB   ALA 637           HB3      ALA 637   6.264  -3.975  -8.049
  130   2HB   ALA 637           HB2      ALA 637   4.807  -3.601  -8.969
  131   3HB   ALA 637           HB1      ALA 637   5.382  -2.480  -7.734
  132    H    SER 638           HN       SER 638   5.680  -6.227  -5.960
  133    HA   SER 638           HA       SER 638   5.093  -8.120  -7.996
  134   1HB   SER 638           HB2      SER 638   6.224  -8.514  -5.222
  135   2HB   SER 638           HB1      SER 638   6.198  -9.739  -6.489
  136    HG   SER 638           HG       SER 638   7.605  -7.271  -6.462
  137    H    PHE 639           HN       PHE 639   3.963  -7.918  -4.572
  138    HA   PHE 639           HA       PHE 639   2.057 -10.031  -5.245
  139   1HB   PHE 639           HB2      PHE 639   1.679 -10.131  -2.743
  140   2HB   PHE 639           HB1      PHE 639   3.244 -10.660  -3.338
  141    HD1  PHE 639           HD1      PHE 639   1.464  -7.955  -1.540
  142    HD2  PHE 639           HD2      PHE 639   5.227  -9.558  -2.739
  143    HE1  PHE 639           HE1      PHE 639   2.604  -6.485   0.059
  144    HE2  PHE 639           HE2      PHE 639   6.364  -8.077  -1.150
  145    HZ   PHE 639           HZ       PHE 639   5.054  -6.548   0.257
  146    H    VAL 640           HN       VAL 640   2.102  -6.688  -4.240
  147    HA   VAL 640           HA       VAL 640  -0.428  -6.485  -3.135
  148    HB   VAL 640           HB       VAL 640   1.286  -4.471  -4.557
  149   1HG1  VAL 640          1HG1      VAL 640  -1.030  -3.836  -5.009
  150   2HG1  VAL 640          3HG1      VAL 640  -1.406  -3.961  -3.291
  151   3HG1  VAL 640          2HG1      VAL 640  -0.283  -2.724  -3.860
  152   1HG2  VAL 640          3HG2      VAL 640   1.967  -5.214  -2.336
  153   2HG2  VAL 640          2HG2      VAL 640   1.455  -3.526  -2.305
  154   3HG2  VAL 640          1HG2      VAL 640   0.382  -4.786  -1.696
  155    HA   PRO 641           HA       PRO 641  -2.232  -5.319  -7.548
  156   1HB   PRO 641           HB2      PRO 641  -0.328  -6.883  -9.218
  157   2HB   PRO 641           HB1      PRO 641  -1.127  -5.345  -9.561
  158   1HG   PRO 641           HG2      PRO 641   1.443  -5.398  -8.909
  159   2HG   PRO 641           HG1      PRO 641   0.378  -4.125  -8.279
  160   1HD   PRO 641           HD2      PRO 641   1.423  -6.573  -6.908
  161   2HD   PRO 641           HD1      PRO 641   1.218  -4.928  -6.275
  162    H    ASN 642           HN       ASN 642  -0.579  -8.434  -7.087
  163    HA   ASN 642           HA       ASN 642  -2.628  -9.933  -8.390
  164   1HB   ASN 642           HB2      ASN 642  -0.324 -10.748  -6.624
  165   2HB   ASN 642           HB1      ASN 642  -1.451 -11.910  -7.317
  166   1HD2  ASN 642          1HD2      ASN 642   1.113  -9.662  -7.971
  167   2HD2  ASN 642          2HD2      ASN 642   1.424 -10.178  -9.596
  168    H    LEU 643           HN       LEU 643  -1.972  -9.039  -5.050
  169    HA   LEU 643           HA       LEU 643  -3.906 -10.756  -3.878
  170   1HB   LEU 643           HB2      LEU 643  -2.732  -8.146  -2.896
  171   2HB   LEU 643           HB1      LEU 643  -3.738  -9.196  -1.915
  172    HG   LEU 643           HG       LEU 643  -1.036  -9.910  -3.058
  173   1HD1  LEU 643          1HD1      LEU 643  -0.922  -8.263  -1.258
  174   2HD1  LEU 643          3HD1      LEU 643  -1.890  -9.318  -0.228
  175   3HD1  LEU 643          2HD1      LEU 643  -0.282  -9.825  -0.745
  176   1HD2  LEU 643          2HD2      LEU 643  -2.508 -11.852  -2.893
  177   2HD2  LEU 643          1HD2      LEU 643  -1.221 -11.926  -1.689
  178   3HD2  LEU 643          3HD2      LEU 643  -2.853 -11.455  -1.210
  179    H    ILE 644           HN       ILE 644  -3.991  -7.295  -4.665
  180    HA   ILE 644           HA       ILE 644  -6.738  -7.094  -3.862
  181    HB   ILE 644           HB       ILE 644  -5.136  -4.981  -5.258
  182   1HG1  ILE 644          2HG1      ILE 644  -5.384  -5.592  -2.308
  183   2HG1  ILE 644          1HG1      ILE 644  -3.946  -5.876  -3.299
  184   1HG2  ILE 644          3HG2      ILE 644  -7.498  -4.821  -3.387
  185   2HG2  ILE 644          2HG2      ILE 644  -6.632  -3.440  -4.056
  186   3HG2  ILE 644          1HG2      ILE 644  -7.532  -4.518  -5.124
  187   1HD1  ILE 644          2HD1      ILE 644  -5.157  -3.183  -2.730
  188   2HD1  ILE 644          1HD1      ILE 644  -3.715  -3.857  -1.966
  189   3HD1  ILE 644          3HD1      ILE 644  -3.709  -3.491  -3.691
  190    H    LYS 645           HN       LYS 645  -5.132  -7.673  -6.902
  191    HA   LYS 645           HA       LYS 645  -6.885  -6.860  -8.784
  192   1HB   LYS 645           HB2      LYS 645  -4.824  -8.254  -9.114
  193   2HB   LYS 645           HB1      LYS 645  -5.775  -9.662  -8.658
  194   1HG   LYS 645           HG2      LYS 645  -5.533  -9.352 -11.095
  195   2HG   LYS 645           HG1      LYS 645  -7.208  -9.386 -10.538
  196   1HD   LYS 645           HD2      LYS 645  -7.331  -6.972 -10.635
  197   2HD   LYS 645           HD1      LYS 645  -5.623  -6.880 -11.078
  198   1HE   LYS 645           HE2      LYS 645  -7.014  -6.632 -13.044
  199   2HE   LYS 645           HE1      LYS 645  -6.092  -8.135 -13.095
  200   1HZ   LYS 645           HZ2      LYS 645  -8.917  -7.974 -12.201
  201   2HZ   LYS 645           HZ1      LYS 645  -8.459  -8.369 -13.781
  202   3HZ   LYS 645           HZ3      LYS 645  -8.015  -9.377 -12.494
  203    H    LYS 646           HN       LYS 646  -7.320  -9.624  -6.606
  204    HA   LYS 646           HA       LYS 646 -10.149  -9.355  -6.718
  205   1HB   LYS 646           HB2      LYS 646  -9.694 -10.560  -8.871
  206   2HB   LYS 646           HB1      LYS 646  -9.029 -11.890  -7.931
  207   1HG   LYS 646           HG2      LYS 646 -11.617 -11.241  -6.916
  208   2HG   LYS 646           HG1      LYS 646 -11.712 -11.446  -8.667
  209   1HD   LYS 646           HD2      LYS 646 -10.532 -13.414  -6.705
  210   2HD   LYS 646           HD1      LYS 646 -12.093 -13.564  -7.514
  211   1HE   LYS 646           HE2      LYS 646 -10.962 -13.631  -9.681
  212   2HE   LYS 646           HE1      LYS 646  -9.405 -13.469  -8.873
  213   1HZ   LYS 646           HZ1      LYS 646  -9.869 -15.574  -7.718
  214   2HZ   LYS 646           HZ3      LYS 646 -11.300 -15.744  -8.619
  215   3HZ   LYS 646           HZ2      LYS 646  -9.797 -15.754  -9.405
  216    H    ASN 647           HN       ASN 647  -9.666  -9.135  -4.469
  217    HA   ASN 647           HA       ASN 647  -9.315 -11.780  -3.168
  218   1HB   ASN 647           HB2      ASN 647  -7.359 -10.099  -2.995
  219   2HB   ASN 647           HB1      ASN 647  -8.423  -9.148  -1.972
  220   1HD2  ASN 647          1HD2      ASN 647  -6.649 -12.122  -2.285
  221   2HD2  ASN 647          2HD2      ASN 647  -6.632 -12.527  -0.603
  222    HA   PRO 648           HA       PRO 648 -13.130 -10.914  -0.831
  223   1HB   PRO 648           HB2      PRO 648 -11.331 -11.028   1.560
  224   2HB   PRO 648           HB1      PRO 648 -12.930 -11.743   1.327
  225   1HG   PRO 648           HG2      PRO 648 -10.731 -13.232   1.127
  226   2HG   PRO 648           HG1      PRO 648 -12.111 -13.489   0.045
  227   1HD   PRO 648           HD2      PRO 648  -9.464 -12.283  -0.520
  228   2HD   PRO 648           HD1      PRO 648 -10.583 -13.123  -1.613
  229    H    GLN 649           HN       GLN 649 -10.125  -9.150  -0.204
  230    HA   GLN 649           HA       GLN 649 -11.453  -6.938   1.074
  231   1HB   GLN 649           HB2      GLN 649  -9.180  -5.894   0.852
  232   2HB   GLN 649           HB1      GLN 649  -9.206  -7.422   1.719
  233   1HG   GLN 649           HG2      GLN 649  -8.564  -8.513  -0.481
  234   2HG   GLN 649           HG1      GLN 649  -8.241  -6.886  -1.068
  235   1HE2  GLN 649          1HE2      GLN 649  -7.655  -7.801   2.243
  236   2HE2  GLN 649          2HE2      GLN 649  -5.934  -7.763   2.151
  237    H    SER 650           HN       SER 650 -10.307  -7.788  -2.106
  238    HA   SER 650           HA       SER 650 -10.748  -5.280  -3.349
  239   1HB   SER 650           HB2      SER 650 -10.808  -7.904  -4.784
  240   2HB   SER 650           HB1      SER 650 -10.091  -6.370  -5.289
  241    HG   SER 650           HG       SER 650  -8.314  -7.061  -4.469
  242    H    LYS 651           HN       LYS 651 -12.698  -8.185  -2.876
  243    HA   LYS 651           HA       LYS 651 -14.705  -7.371  -4.733
  244   1HB   LYS 651           HB2      LYS 651 -15.919  -9.298  -4.116
  245   2HB   LYS 651           HB1      LYS 651 -14.227  -9.759  -4.048
  246   1HG   LYS 651           HG2      LYS 651 -14.298  -9.439  -1.589
  247   2HG   LYS 651           HG1      LYS 651 -16.032  -9.135  -1.723
  248   1HD   LYS 651           HD2      LYS 651 -14.568 -11.667  -2.473
  249   2HD   LYS 651           HD1      LYS 651 -15.665 -11.448  -1.110
  250   1HE   LYS 651           HE2      LYS 651 -16.417 -11.250  -4.028
  251   2HE   LYS 651           HE1      LYS 651 -16.733 -12.631  -2.982
  252   1HZ   LYS 651           HZ1      LYS 651 -18.059 -11.097  -1.563
  253   2HZ   LYS 651           HZ3      LYS 651 -17.888  -9.906  -2.760
  254   3HZ   LYS 651           HZ2      LYS 651 -18.705 -11.347  -3.110
  255    H    GLN 652           HN       GLN 652 -13.921  -6.348  -1.638
  256    HA   GLN 652           HA       GLN 652 -16.625  -5.260  -1.278
  257   1HB   GLN 652           HB2      GLN 652 -16.160  -4.875   1.004
  258   2HB   GLN 652           HB1      GLN 652 -15.512  -6.473   0.674
  259   1HG   GLN 652           HG2      GLN 652 -13.275  -5.604   0.601
  260   2HG   GLN 652           HG1      GLN 652 -13.875  -3.952   0.753
  261   1HE2  GLN 652          1HE2      GLN 652 -12.015  -5.357   2.465
  262   2HE2  GLN 652          2HE2      GLN 652 -12.713  -5.367   4.047
  263    H    PHE 653           HN       PHE 653 -13.663  -4.619  -2.590
  264    HA   PHE 653           HA       PHE 653 -13.531  -1.779  -2.055
  265   1HB   PHE 653           HB2      PHE 653 -11.963  -3.780  -3.430
  266   2HB   PHE 653           HB1      PHE 653 -12.119  -2.331  -4.393
  267    HD1  PHE 653           HD1      PHE 653 -12.204  -0.397  -2.073
  268    HD2  PHE 653           HD2      PHE 653  -9.662  -3.678  -2.971
  269    HE1  PHE 653           HE1      PHE 653 -10.446   0.602  -0.708
  270    HE2  PHE 653           HE2      PHE 653  -7.889  -2.680  -1.597
  271    HZ   PHE 653           HZ       PHE 653  -8.119  -0.481  -0.767
  272    H    ASP 654           HN       ASP 654 -13.398  -0.320  -4.012
  273    HA   ASP 654           HA       ASP 654 -15.635  -0.797  -5.830
  274   1HB   ASP 654           HB2      ASP 654 -15.465   1.322  -4.256
  275   2HB   ASP 654           HB1      ASP 654 -14.422   1.906  -5.549
  276    H    HIS 655           HN       HIS 655 -15.001   0.888  -7.902
  277    HA   HIS 655           HA       HIS 655 -12.936  -0.638  -9.174
  278   1HB   HIS 655           HB2      HIS 655 -13.428   0.635 -11.178
  279   2HB   HIS 655           HB1      HIS 655 -14.930   0.152 -10.407
  280    HD1  HIS 655           HD1      HIS 655 -16.081   2.154  -8.902
  281    HD2  HIS 655           HD2      HIS 655 -13.301   3.276 -11.794
  282    HE1  HIS 655           HE1      HIS 655 -16.481   4.601  -9.321
  283    HE2  HIS 655           HE2      HIS 655 -14.700   5.292 -10.967
  284    H    GLU 656           HN       GLU 656 -13.137   2.783  -8.142
  285    HA   GLU 656           HA       GLU 656 -10.570   3.341  -9.315
  286   1HB   GLU 656           HB2      GLU 656 -10.869   5.596  -8.668
  287   2HB   GLU 656           HB1      GLU 656 -12.446   5.024  -9.180
  288   1HG   GLU 656           HG2      GLU 656 -11.574   5.203  -6.305
  289   2HG   GLU 656           HG1      GLU 656 -12.447   6.473  -7.157
  290    H    ASN 657           HN       ASN 657 -11.816   2.662  -6.126
  291    HA   ASN 657           HA       ASN 657  -9.520   3.545  -4.725
  292   1HB   ASN 657           HB2      ASN 657 -10.453   2.228  -2.796
  293   2HB   ASN 657           HB1      ASN 657 -11.546   3.427  -3.478
  294   1HD2  ASN 657          1HD2      ASN 657 -13.140   2.312  -2.357
  295   2HD2  ASN 657          2HD2      ASN 657 -13.845   0.903  -3.051
  296    H    ILE 658           HN       ILE 658 -10.449   0.473  -6.128
  297    HA   ILE 658           HA       ILE 658  -8.408  -1.071  -4.982
  298    HB   ILE 658           HB       ILE 658 -10.316  -1.393  -7.162
  299   1HG1  ILE 658          2HG1      ILE 658  -9.002  -3.119  -5.069
  300   2HG1  ILE 658          1HG1      ILE 658 -10.658  -2.531  -5.113
  301   1HG2  ILE 658          1HG2      ILE 658  -7.655  -2.805  -7.421
  302   2HG2  ILE 658          3HG2      ILE 658  -9.117  -3.191  -8.331
  303   3HG2  ILE 658          2HG2      ILE 658  -8.329  -1.629  -8.550
  304   1HD1  ILE 658          2HD1      ILE 658  -9.484  -4.598  -6.945
  305   2HD1  ILE 658          1HD1      ILE 658 -10.560  -4.892  -5.578
  306   3HD1  ILE 658          3HD1      ILE 658 -11.144  -4.002  -6.987
  307    H    LYS 659           HN       LYS 659  -8.424   0.953  -7.892
  308    HA   LYS 659           HA       LYS 659  -5.748   0.344  -8.644
  309   1HB   LYS 659           HB2      LYS 659  -7.155   1.293 -10.322
  310   2HB   LYS 659           HB1      LYS 659  -7.565   2.664  -9.299
  311   1HG   LYS 659           HG2      LYS 659  -5.246   3.452  -9.438
  312   2HG   LYS 659           HG1      LYS 659  -4.855   2.090 -10.488
  313   1HD   LYS 659           HD2      LYS 659  -7.116   3.851 -11.275
  314   2HD   LYS 659           HD1      LYS 659  -5.478   4.483 -11.448
  315   1HE   LYS 659           HE2      LYS 659  -6.170   3.458 -13.517
  316   2HE   LYS 659           HE1      LYS 659  -4.883   2.505 -12.788
  317   1HZ   LYS 659           HZ2      LYS 659  -7.774   1.854 -12.575
  318   2HZ   LYS 659           HZ1      LYS 659  -6.712   1.167 -13.708
  319   3HZ   LYS 659           HZ3      LYS 659  -6.476   0.899 -12.053
  320    H    GLN 660           HN       GLN 660  -7.232   2.977  -6.819
  321    HA   GLN 660           HA       GLN 660  -4.902   4.461  -6.341
  322   1HB   GLN 660           HB2      GLN 660  -7.251   5.261  -6.055
  323   2HB   GLN 660           HB1      GLN 660  -7.371   4.280  -4.603
  324   1HG   GLN 660           HG2      GLN 660  -5.123   6.181  -4.695
  325   2HG   GLN 660           HG1      GLN 660  -6.736   6.886  -4.615
  326   1HE2  GLN 660          1HE2      GLN 660  -4.338   5.018  -2.957
  327   2HE2  GLN 660          2HE2      GLN 660  -5.107   5.021  -1.402
  328    H    CYS 661           HN       CYS 661  -6.439   1.869  -4.488
  329    HA   CYS 661           HA       CYS 661  -4.783   1.995  -2.236
  330   1HB   CYS 661           HB2      CYS 661  -6.797   0.735  -2.105
  331   2HB   CYS 661           HB1      CYS 661  -6.323  -0.300  -3.443
  332    HG   CYS 661           HG       CYS 661  -3.963  -0.727  -1.370
  333    H    ALA 662           HN       ALA 662  -4.515  -0.092  -5.120
  334    HA   ALA 662           HA       ALA 662  -2.275  -1.520  -4.382
  335   1HB   ALA 662           HB1      ALA 662  -3.649  -2.006  -6.351
  336   2HB   ALA 662           HB3      ALA 662  -2.976  -0.593  -7.162
  337   3HB   ALA 662           HB2      ALA 662  -1.930  -1.950  -6.744
  338    H    LYS 663           HN       LYS 663  -2.319   1.543  -6.236
  339    HA   LYS 663           HA       LYS 663   0.504   1.664  -6.422
  340   1HB   LYS 663           HB2      LYS 663   0.124   4.063  -7.072
  341   2HB   LYS 663           HB1      LYS 663  -0.728   2.872  -8.045
  342   1HG   LYS 663           HG2      LYS 663  -2.801   3.367  -6.971
  343   2HG   LYS 663           HG1      LYS 663  -1.995   4.380  -5.772
  344   1HD   LYS 663           HD2      LYS 663  -1.910   4.969  -8.722
  345   2HD   LYS 663           HD1      LYS 663  -3.170   5.601  -7.659
  346   1HE   LYS 663           HE2      LYS 663  -0.232   5.990  -7.137
  347   2HE   LYS 663           HE1      LYS 663  -1.194   7.126  -8.082
  348   1HZ   LYS 663           HZ1      LYS 663  -1.872   6.330  -5.296
  349   2HZ   LYS 663           HZ3      LYS 663  -0.942   7.694  -5.681
  350   3HZ   LYS 663           HZ2      LYS 663  -2.547   7.589  -6.209
  351    H    ASP 664           HN       ASP 664  -1.784   2.919  -4.055
  352    HA   ASP 664           HA       ASP 664   0.216   4.590  -2.843
  353   1HB   ASP 664           HB2      ASP 664  -2.662   4.066  -2.284
  354   2HB   ASP 664           HB1      ASP 664  -1.664   4.800  -1.031
  355    H    ILE 665           HN       ILE 665  -1.150   1.397  -2.099
  356    HA   ILE 665           HA       ILE 665   0.051   1.186   0.458
  357    HB   ILE 665           HB       ILE 665  -1.622  -0.446  -0.162
  358   1HG1  ILE 665          2HG1      ILE 665   1.016  -1.937   0.028
  359   2HG1  ILE 665          1HG1      ILE 665   0.209  -1.174   1.406
  360   1HG2  ILE 665          1HG2      ILE 665  -1.227  -0.525  -2.543
  361   2HG2  ILE 665          3HG2      ILE 665   0.293  -1.378  -2.279
  362   3HG2  ILE 665          2HG2      ILE 665  -1.237  -2.149  -1.856
  363   1HD1  ILE 665          3HD1      ILE 665  -1.751  -2.621   0.975
  364   2HD1  ILE 665          2HD1      ILE 665  -0.834  -3.421  -0.299
  365   3HD1  ILE 665          1HD1      ILE 665  -0.284  -3.519   1.375
  366    H    VAL 666           HN       VAL 666   1.204   0.552  -2.797
  367    HA   VAL 666           HA       VAL 666   3.717  -0.502  -2.180
  368    HB   VAL 666           HB       VAL 666   2.835   1.197  -4.517
  369   1HG1  VAL 666          2HG1      VAL 666   5.257   1.313  -4.278
  370   2HG1  VAL 666          1HG1      VAL 666   5.341  -0.448  -4.222
  371   3HG1  VAL 666          3HG1      VAL 666   4.802   0.361  -5.692
  372   1HG2  VAL 666          3HG2      VAL 666   1.658  -0.934  -4.284
  373   2HG2  VAL 666          2HG2      VAL 666   2.705  -0.927  -5.703
  374   3HG2  VAL 666          1HG2      VAL 666   3.203  -1.783  -4.243
  375    H    LYS 667           HN       LYS 667   2.745   2.895  -2.692
  376    HA   LYS 667           HA       LYS 667   5.391   3.878  -2.218
  377   1HB   LYS 667           HB2      LYS 667   4.018   5.089  -3.743
  378   2HB   LYS 667           HB1      LYS 667   2.737   5.262  -2.555
  379   1HG   LYS 667           HG2      LYS 667   4.018   7.335  -2.931
  380   2HG   LYS 667           HG1      LYS 667   4.059   6.782  -1.258
  381   1HD   LYS 667           HD2      LYS 667   6.280   5.772  -1.687
  382   2HD   LYS 667           HD1      LYS 667   6.236   6.439  -3.322
  383   1HE   LYS 667           HE2      LYS 667   6.193   8.678  -2.471
  384   2HE   LYS 667           HE1      LYS 667   6.008   8.098  -0.818
  385   1HZ   LYS 667           HZ3      LYS 667   8.392   7.591  -2.517
  386   2HZ   LYS 667           HZ2      LYS 667   8.283   8.821  -1.359
  387   3HZ   LYS 667           HZ1      LYS 667   8.218   7.194  -0.875
  388    H    ILE 668           HN       ILE 668   2.386   3.941  -0.283
  389    HA   ILE 668           HA       ILE 668   3.501   5.628   1.699
  390    HB   ILE 668           HB       ILE 668   1.019   5.312   1.276
  391   1HG1  ILE 668          2HG1      ILE 668   0.431   5.594   3.686
  392   2HG1  ILE 668          1HG1      ILE 668   2.070   5.107   4.105
  393   1HG2  ILE 668          3HG2      ILE 668   0.933   2.880   1.295
  394   2HG2  ILE 668          2HG2      ILE 668   1.425   2.865   2.989
  395   3HG2  ILE 668          1HG2      ILE 668  -0.130   3.557   2.528
  396   1HD1  ILE 668          2HD1      ILE 668   1.315   7.522   2.478
  397   2HD1  ILE 668          1HD1      ILE 668   1.819   7.522   4.168
  398   3HD1  ILE 668          3HD1      ILE 668   2.955   7.036   2.908
  399    H    LEU 669           HN       LEU 669   3.311   2.111   1.374
  400    HA   LEU 669           HA       LEU 669   3.966   1.561   4.070
  401   1HB   LEU 669           HB2      LEU 669   3.085   0.045   2.011
  402   2HB   LEU 669           HB1      LEU 669   4.772  -0.430   2.051
  403    HG   LEU 669           HG       LEU 669   2.972  -0.533   4.472
  404   1HD1  LEU 669          2HD1      LEU 669   2.087  -2.007   2.755
  405   2HD1  LEU 669          1HD1      LEU 669   3.677  -2.742   2.550
  406   3HD1  LEU 669          3HD1      LEU 669   2.808  -2.935   4.072
  407   1HD2  LEU 669          1HD2      LEU 669   5.667  -1.751   3.875
  408   2HD2  LEU 669          3HD2      LEU 669   5.326  -0.455   5.019
  409   3HD2  LEU 669          2HD2      LEU 669   4.705  -2.079   5.315
  410    H    THR 670           HN       THR 670   5.981   1.873   1.139
  411    HA   THR 670           HA       THR 670   8.389   1.187   2.458
  412    HB   THR 670           HB       THR 670   8.448   1.086   0.084
  413    HG1  THR 670           HG1      THR 670  10.199   2.449   1.478
  414   1HG2  THR 670          3HG2      THR 670   7.818   4.037   0.046
  415   2HG2  THR 670          2HG2      THR 670   8.222   3.052  -1.360
  416   3HG2  THR 670          1HG2      THR 670   6.739   2.736  -0.459
  417    H    THR 671           HN       THR 671   6.668   4.242   2.089
  418    HA   THR 671           HA       THR 671   8.707   5.864   3.187
  419    HB   THR 671           HB       THR 671   5.712   6.312   3.225
  420    HG1  THR 671           HG1      THR 671   7.724   6.656   1.278
  421   1HG2  THR 671          3HG2      THR 671   6.948   7.764   4.794
  422   2HG2  THR 671          2HG2      THR 671   7.983   8.292   3.468
  423   3HG2  THR 671          1HG2      THR 671   6.262   8.675   3.449
  424    H    LYS 672           HN       LYS 672   6.107   3.952   4.608
  425    HA   LYS 672           HA       LYS 672   6.488   4.814   7.289
  426   1HB   LYS 672           HB2      LYS 672   5.348   2.223   6.218
  427   2HB   LYS 672           HB1      LYS 672   5.256   2.741   7.895
  428   1HG   LYS 672           HG2      LYS 672   3.901   4.651   7.252
  429   2HG   LYS 672           HG1      LYS 672   4.031   4.187   5.553
  430   1HD   LYS 672           HD2      LYS 672   2.902   2.072   6.052
  431   2HD   LYS 672           HD1      LYS 672   2.762   2.546   7.744
  432   1HE   LYS 672           HE2      LYS 672   1.564   4.062   5.432
  433   2HE   LYS 672           HE1      LYS 672   0.689   2.899   6.423
  434   1HZ   LYS 672           HZ1      LYS 672   1.124   4.302   8.360
  435   2HZ   LYS 672           HZ3      LYS 672   1.914   5.437   7.375
  436   3HZ   LYS 672           HZ2      LYS 672   0.262   5.136   7.163
  437    H    GLU 673           HN       GLU 673   7.673   2.062   5.411
  438    HA   GLU 673           HA       GLU 673   9.227   0.812   7.367
  439   1HB   GLU 673           HB2      GLU 673   9.694   1.008   4.385
  440   2HB   GLU 673           HB1      GLU 673  10.519  -0.115   5.455
  441   1HG   GLU 673           HG2      GLU 673   7.535  -0.065   5.130
  442   2HG   GLU 673           HG1      GLU 673   8.600  -1.036   4.118
  443    H    LEU 674           HN       LEU 674  10.033   3.411   5.102
  444    HA   LEU 674           HA       LEU 674  12.771   3.593   5.906
  445   1HB   LEU 674           HB2      LEU 674  11.266   4.533   3.799
  446   2HB   LEU 674           HB1      LEU 674  11.606   5.992   4.713
  447    HG   LEU 674           HG       LEU 674  14.003   5.590   4.536
  448   1HD1  LEU 674          3HD1      LEU 674  13.956   3.144   4.577
  449   2HD1  LEU 674          2HD1      LEU 674  13.235   3.129   2.967
  450   3HD1  LEU 674          1HD1      LEU 674  14.873   3.744   3.194
  451   1HD2  LEU 674          3HD2      LEU 674  12.873   6.824   2.746
  452   2HD2  LEU 674          2HD2      LEU 674  14.249   5.905   2.132
  453   3HD2  LEU 674          1HD2      LEU 674  12.606   5.312   1.875
  454    H    LYS 675           HN       LYS 675   9.803   4.918   7.096
  455    HA   LYS 675           HA       LYS 675  11.037   6.986   8.660
  456   1HB   LYS 675           HB2      LYS 675   8.598   6.939   7.956
  457   2HB   LYS 675           HB1      LYS 675   8.358   5.680   9.160
  458   1HG   LYS 675           HG2      LYS 675   9.162   7.249  10.898
  459   2HG   LYS 675           HG1      LYS 675   9.258   8.507   9.664
  460   1HD   LYS 675           HD2      LYS 675   7.186   8.782  10.813
  461   2HD   LYS 675           HD1      LYS 675   6.828   8.134   9.213
  462   1HE   LYS 675           HE2      LYS 675   6.641   5.883  10.178
  463   2HE   LYS 675           HE1      LYS 675   6.976   6.549  11.776
  464   1HZ   LYS 675           HZ2      LYS 675   4.972   7.989  11.427
  465   2HZ   LYS 675           HZ1      LYS 675   4.608   7.047  10.067
  466   3HZ   LYS 675           HZ3      LYS 675   4.651   6.332  11.606
  467    H    LYS 676           HN       LYS 676  10.224   3.620   9.038
  468    HA   LYS 676           HA       LYS 676  10.902   3.476  11.826
  469   1HB   LYS 676           HB2      LYS 676   9.362   1.868  10.843
  470   2HB   LYS 676           HB1      LYS 676  10.595   1.331   9.712
  471   1HG   LYS 676           HG2      LYS 676  11.867   0.330  11.448
  472   2HG   LYS 676           HG1      LYS 676  10.866   1.075  12.694
  473   1HD   LYS 676           HD2      LYS 676   9.899  -0.950  10.678
  474   2HD   LYS 676           HD1      LYS 676  10.343  -1.314  12.347
  475   1HE   LYS 676           HE2      LYS 676   8.132   0.535  11.452
  476   2HE   LYS 676           HE1      LYS 676   7.927  -1.084  12.120
  477   1HZ   LYS 676           HZ3      LYS 676   9.144   1.216  13.556
  478   2HZ   LYS 676           HZ2      LYS 676   7.562   0.663  13.775
  479   3HZ   LYS 676           HZ1      LYS 676   8.876  -0.328  14.195
  480    H    ASP 677           HN       ASP 677  12.482   2.266   8.867
  481    HA   ASP 677           HA       ASP 677  15.096   2.762  10.159
  482   1HB   ASP 677           HB2      ASP 677  14.432   0.587   8.152
  483   2HB   ASP 677           HB1      ASP 677  16.042   0.953   8.746
  484    H    SER 678           HN       SER 678  16.241   4.283   9.087
  485    HA   SER 678           HA       SER 678  14.988   5.610   6.913
  486   1HB   SER 678           HB2      SER 678  17.080   7.039   6.972
  487   2HB   SER 678           HB1      SER 678  16.185   6.941   8.488
  488    HG   SER 678           HG       SER 678  18.715   6.430   8.149
  489    H    SER 679           HN       SER 679  17.172   3.017   7.033
  490    HA   SER 679           HA       SER 679  17.317   3.055   4.137
  491   1HB   SER 679           HB2      SER 679  19.808   2.926   5.852
  492   2HB   SER 679           HB1      SER 679  19.760   2.653   4.111
  493    HG   SER 679           HG       SER 679  18.549   4.985   4.765
  494    H    ARG 680           HN       ARG 680  15.714   1.354   5.278
  495    HA   ARG 680           HA       ARG 680  17.161  -1.139   5.605
  496   1HB   ARG 680           HB2      ARG 680  14.981  -2.129   6.112
  497   2HB   ARG 680           HB1      ARG 680  15.402  -0.822   7.196
  498   1HG   ARG 680           HG2      ARG 680  13.799   0.588   6.306
  499   2HG   ARG 680           HG1      ARG 680  13.663  -0.350   4.816
  500   1HD   ARG 680           HD2      ARG 680  11.732  -0.650   6.361
  501   2HD   ARG 680           HD1      ARG 680  12.586  -2.145   5.973
  502    HE   ARG 680           HE       ARG 680  13.718  -1.158   8.303
  503   1HH1  ARG 680          1HH1      ARG 680  10.554  -2.336   7.295
  504   2HH1  ARG 680          2HH1      ARG 680  10.180  -2.942   8.884
  505   1HH2  ARG 680          1HH2      ARG 680  13.195  -1.953  10.337
  506   2HH2  ARG 680          2HH2      ARG 680  11.659  -2.735  10.592
  507    H    ALA 681           HN       ALA 681  17.770  -2.078   3.815
  508    HA   ALA 681           HA       ALA 681  16.622  -1.827   1.281
  509   1HB   ALA 681           HB1      ALA 681  18.114  -4.208   2.392
  510   2HB   ALA 681           HB3      ALA 681  17.867  -3.830   0.686
  511   3HB   ALA 681           HB2      ALA 681  18.858  -2.772   1.690
  512    HA   PRO 682           HA       PRO 682  12.784  -3.875   1.734
  513   1HB   PRO 682           HB2      PRO 682  12.914  -4.547  -1.122
  514   2HB   PRO 682           HB1      PRO 682  11.798  -3.475  -0.274
  515   1HG   PRO 682           HG2      PRO 682  13.693  -2.538  -1.933
  516   2HG   PRO 682           HG1      PRO 682  13.173  -1.647  -0.494
  517   1HD   PRO 682           HD2      PRO 682  15.629  -3.305  -0.909
  518   2HD   PRO 682           HD1      PRO 682  15.439  -1.759  -0.052
  519    HA   PRO 683           HA       PRO 683  13.657  -8.332   1.940
  520   1HB   PRO 683           HB2      PRO 683  10.674  -8.262   2.027
  521   2HB   PRO 683           HB1      PRO 683  11.801  -9.145   3.061
  522   1HG   PRO 683           HG2      PRO 683  10.552  -6.966   3.953
  523   2HG   PRO 683           HG1      PRO 683  12.238  -7.297   4.388
  524   1HD   PRO 683           HD2      PRO 683  11.131  -5.331   2.435
  525   2HD   PRO 683           HD1      PRO 683  12.559  -5.203   3.485
  526    H    ASP 684           HN       ASP 684  13.555  -9.823   0.257
  527    HA   ASP 684           HA       ASP 684  13.092  -8.562  -2.260
  528   1HB   ASP 684           HB2      ASP 684  14.974 -10.127  -1.852
  529   2HB   ASP 684           HB1      ASP 684  13.810 -11.450  -1.740
  530    H    ASP 685           HN       ASP 685  11.335 -10.893  -0.340
  531    HA   ASP 685           HA       ASP 685   9.110 -10.650  -2.204
  532   1HB   ASP 685           HB2      ASP 685  10.365 -12.637  -2.962
  533   2HB   ASP 685           HB1      ASP 685  10.222 -13.319  -1.353
  534    H    LEU 686           HN       LEU 686   7.211 -11.840  -1.390
  535    HA   LEU 686           HA       LEU 686   6.462 -10.677   1.095
  536   1HB   LEU 686           HB2      LEU 686   5.135 -11.031  -1.057
  537   2HB   LEU 686           HB1      LEU 686   4.978 -12.703  -0.570
  538    HG   LEU 686           HG       LEU 686   3.069 -10.996  -0.113
  539   1HD1  LEU 686          2HD1      LEU 686   4.043 -12.975   1.921
  540   2HD1  LEU 686          1HD1      LEU 686   2.407 -12.310   1.838
  541   3HD1  LEU 686          3HD1      LEU 686   3.023 -13.310   0.522
  542   1HD2  LEU 686          3HD2      LEU 686   4.465  -9.350   1.039
  543   2HD2  LEU 686          2HD2      LEU 686   3.180  -9.959   2.084
  544   3HD2  LEU 686          1HD2      LEU 686   4.834 -10.540   2.289
  545    H    THR 687           HN       THR 687   7.608 -11.561   2.761
  546    HA   THR 687           HA       THR 687   7.874 -14.397   3.125
  547    HB   THR 687           HB       THR 687   8.923 -13.792   5.288
  548    HG1  THR 687           HG1      THR 687   9.273 -11.304   5.319
  549   1HG2  THR 687          1HG2      THR 687  10.291 -13.832   3.251
  550   2HG2  THR 687          3HG2      THR 687   9.907 -12.136   2.958
  551   3HG2  THR 687          2HG2      THR 687  10.853 -12.594   4.375
  552    H    LYS 688           HN       LYS 688   7.210 -15.339   5.375
  553    HA   LYS 688           HA       LYS 688   4.383 -15.228   5.408
  554   1HB   LYS 688           HB2      LYS 688   4.425 -16.966   6.906
  555   2HB   LYS 688           HB1      LYS 688   6.013 -17.132   6.184
  556   1HG   LYS 688           HG2      LYS 688   5.536 -15.673   8.769
  557   2HG   LYS 688           HG1      LYS 688   5.876 -17.399   8.683
  558   1HD   LYS 688           HD2      LYS 688   8.001 -16.860   7.509
  559   2HD   LYS 688           HD1      LYS 688   7.662 -15.147   7.768
  560   1HE   LYS 688           HE2      LYS 688   7.993 -17.233   9.924
  561   2HE   LYS 688           HE1      LYS 688   9.193 -16.025   9.466
  562   1HZ   LYS 688           HZ3      LYS 688   6.483 -15.394  10.529
  563   2HZ   LYS 688           HZ2      LYS 688   7.907 -15.413  11.455
  564   3HZ   LYS 688           HZ1      LYS 688   7.730 -14.288  10.202
  565    H    GLY 689           HN       GLY 689   6.813 -13.555   7.265
  566   1HA   GLY 689           HA1      GLY 689   6.631 -12.165   9.121
  567   2HA   GLY 689           HA2      GLY 689   4.942 -12.634   9.269
  568    H    LYS 690           HN       LYS 690   6.714 -11.175   6.550
  569    HA   LYS 690           HA       LYS 690   5.585  -8.602   6.947
  570   1HB   LYS 690           HB2      LYS 690   7.698  -9.323   5.574
  571   2HB   LYS 690           HB1      LYS 690   6.547  -9.523   4.260
  572   1HG   LYS 690           HG2      LYS 690   7.529  -7.342   4.109
  573   2HG   LYS 690           HG1      LYS 690   5.837  -7.168   4.583
  574   1HD   LYS 690           HD2      LYS 690   6.579  -6.979   6.948
  575   2HD   LYS 690           HD1      LYS 690   8.252  -7.010   6.388
  576   1HE   LYS 690           HE2      LYS 690   7.800  -4.981   5.046
  577   2HE   LYS 690           HE1      LYS 690   6.165  -4.940   5.708
  578   1HZ   LYS 690           HZ2      LYS 690   7.212  -4.800   7.954
  579   2HZ   LYS 690           HZ1      LYS 690   8.710  -4.611   7.194
  580   3HZ   LYS 690           HZ3      LYS 690   7.502  -3.446   6.968
  581    H    ARG 691           HN       ARG 691   4.544 -11.483   5.316
  582    HA   ARG 691           HA       ARG 691   2.522 -10.527   3.682
  583   1HB   ARG 691           HB2      ARG 691   3.059 -12.856   3.654
  584   2HB   ARG 691           HB1      ARG 691   2.685 -13.025   5.351
  585   1HG   ARG 691           HG2      ARG 691   0.322 -12.600   4.880
  586   2HG   ARG 691           HG1      ARG 691   0.701 -12.414   3.168
  587   1HD   ARG 691           HD2      ARG 691  -0.187 -14.629   3.621
  588   2HD   ARG 691           HD1      ARG 691   1.492 -14.720   3.090
  589    HE   ARG 691           HE       ARG 691   0.858 -14.806   5.963
  590   1HH1  ARG 691          1HH1      ARG 691   2.103 -16.318   3.063
  591   2HH1  ARG 691          2HH1      ARG 691   2.818 -17.663   3.903
  592   1HH2  ARG 691          1HH2      ARG 691   1.798 -16.575   7.091
  593   2HH2  ARG 691          2HH2      ARG 691   2.645 -17.808   6.198
  594    H    HIS 692           HN       HIS 692   2.357 -11.379   7.132
  595    HA   HIS 692           HA       HIS 692  -0.366 -10.611   7.378
  596   1HB   HIS 692           HB2      HIS 692   0.628 -12.180   8.967
  597   2HB   HIS 692           HB1      HIS 692   1.752 -10.941   9.518
  598    HD1  HIS 692           HD1      HIS 692   1.064 -10.065  11.703
  599    HD2  HIS 692           HD2      HIS 692  -2.217 -10.975   9.312
  600    HE1  HIS 692           HE1      HIS 692  -0.961  -9.387  13.036
  601    HE2  HIS 692           HE2      HIS 692  -2.896  -9.678  11.446
  602    H    LYS 693           HN       LYS 693   2.689  -8.970   7.715
  603    HA   LYS 693           HA       LYS 693   1.767  -6.653   9.021
  604   1HB   LYS 693           HB2      LYS 693   4.161  -7.354   8.759
  605   2HB   LYS 693           HB1      LYS 693   4.074  -6.851   7.078
  606   1HG   LYS 693           HG2      LYS 693   5.129  -5.148   8.445
  607   2HG   LYS 693           HG1      LYS 693   3.605  -4.560   7.779
  608   1HD   LYS 693           HD2      LYS 693   3.895  -3.924  10.136
  609   2HD   LYS 693           HD1      LYS 693   2.490  -4.962   9.898
  610   1HE   LYS 693           HE2      LYS 693   3.829  -6.897  10.635
  611   2HE   LYS 693           HE1      LYS 693   5.195  -5.822  10.923
  612   1HZ   LYS 693           HZ1      LYS 693   2.562  -5.563  12.267
  613   2HZ   LYS 693           HZ3      LYS 693   3.900  -6.356  12.940
  614   3HZ   LYS 693           HZ2      LYS 693   3.975  -4.694  12.618
  615    H    VAL 694           HN       VAL 694   2.233  -7.355   5.549
  616    HA   VAL 694           HA       VAL 694   1.196  -4.824   4.722
  617    HB   VAL 694           HB       VAL 694   1.232  -5.669   2.457
  618   1HG1  VAL 694          1HG1      VAL 694   3.326  -4.922   3.429
  619   2HG1  VAL 694          3HG1      VAL 694   3.651  -6.550   4.023
  620   3HG1  VAL 694          2HG1      VAL 694   3.605  -6.238   2.287
  621   1HG2  VAL 694          3HG2      VAL 694   0.377  -7.929   2.863
  622   2HG2  VAL 694          2HG2      VAL 694   1.866  -7.960   1.919
  623   3HG2  VAL 694          1HG2      VAL 694   1.902  -8.368   3.635
  624    H    LYS 695           HN       LYS 695  -0.160  -8.051   5.127
  625    HA   LYS 695           HA       LYS 695  -2.660  -7.623   3.888
  626   1HB   LYS 695           HB2      LYS 695  -1.733  -9.846   4.428
  627   2HB   LYS 695           HB1      LYS 695  -1.917  -9.509   6.141
  628   1HG   LYS 695           HG2      LYS 695  -4.409  -9.219   5.618
  629   2HG   LYS 695           HG1      LYS 695  -4.036 -10.032   4.094
  630   1HD   LYS 695           HD2      LYS 695  -3.035 -11.896   5.397
  631   2HD   LYS 695           HD1      LYS 695  -3.561 -11.097   6.877
  632   1HE   LYS 695           HE2      LYS 695  -5.204 -12.711   6.433
  633   2HE   LYS 695           HE1      LYS 695  -5.908 -11.183   5.905
  634   1HZ   LYS 695           HZ3      LYS 695  -4.520 -13.032   4.053
  635   2HZ   LYS 695           HZ2      LYS 695  -6.184 -13.124   4.360
  636   3HZ   LYS 695           HZ1      LYS 695  -5.529 -11.727   3.657
  637    H    GLU 696           HN       GLU 696  -1.638  -7.397   7.289
  638    HA   GLU 696           HA       GLU 696  -4.217  -6.825   8.319
  639   1HB   GLU 696           HB2      GLU 696  -2.142  -7.722   9.546
  640   2HB   GLU 696           HB1      GLU 696  -1.617  -6.050   9.627
  641   1HG   GLU 696           HG2      GLU 696  -2.672  -6.623  11.683
  642   2HG   GLU 696           HG1      GLU 696  -3.708  -5.493  10.816
  643    H    PHE 697           HN       PHE 697  -1.449  -4.819   7.433
  644    HA   PHE 697           HA       PHE 697  -2.492  -2.331   8.186
  645   1HB   PHE 697           HB2      PHE 697  -0.204  -2.323   7.697
  646   2HB   PHE 697           HB1      PHE 697  -0.421  -3.221   6.199
  647    HD1  PHE 697           HD1      PHE 697  -1.278   0.073   7.735
  648    HD2  PHE 697           HD2      PHE 697  -0.330  -2.098   4.198
  649    HE1  PHE 697           HE1      PHE 697  -1.246   2.174   6.454
  650    HE2  PHE 697           HE2      PHE 697  -0.295  -0.002   2.914
  651    HZ   PHE 697           HZ       PHE 697  -0.755   2.136   4.040
  652    H    ILE 698           HN       ILE 698  -2.590  -4.052   5.076
  653    HA   ILE 698           HA       ILE 698  -3.995  -1.967   3.781
  654    HB   ILE 698           HB       ILE 698  -2.577  -3.762   2.655
  655   1HG1  ILE 698          2HG1      ILE 698  -3.817  -3.564   0.596
  656   2HG1  ILE 698          1HG1      ILE 698  -5.310  -3.231   1.474
  657   1HG2  ILE 698          3HG2      ILE 698  -5.156  -5.310   2.845
  658   2HG2  ILE 698          2HG2      ILE 698  -3.767  -5.745   1.850
  659   3HG2  ILE 698          1HG2      ILE 698  -3.624  -5.738   3.608
  660   1HD1  ILE 698          3HD1      ILE 698  -2.870  -1.470   1.520
  661   2HD1  ILE 698          2HD1      ILE 698  -4.273  -1.229   0.478
  662   3HD1  ILE 698          1HD1      ILE 698  -4.445  -1.125   2.231
  663    H    ASN 699           HN       ASN 699  -5.015  -4.886   5.456
  664    HA   ASN 699           HA       ASN 699  -7.695  -4.989   4.776
  665   1HB   ASN 699           HB2      ASN 699  -6.760  -6.697   6.169
  666   2HB   ASN 699           HB1      ASN 699  -6.297  -5.530   7.401
  667   1HD2  ASN 699          1HD2      ASN 699  -7.849  -4.698   8.778
  668   2HD2  ASN 699          2HD2      ASN 699  -9.393  -5.460   8.984
  669    H    SER 700           HN       SER 700  -6.228  -3.148   7.445
  670    HA   SER 700           HA       SER 700  -8.586  -1.768   8.155
  671   1HB   SER 700           HB2      SER 700  -5.710  -0.962   8.638
  672   2HB   SER 700           HB1      SER 700  -7.123  -0.383   9.524
  673    HG   SER 700           HG       SER 700  -7.369  -2.340  10.457
  674    H    TYR 701           HN       TYR 701  -5.852  -0.899   6.059
  675    HA   TYR 701           HA       TYR 701  -6.559   1.769   5.581
  676   1HB   TYR 701           HB2      TYR 701  -4.374   0.862   5.000
  677   2HB   TYR 701           HB1      TYR 701  -5.103  -0.189   3.796
  678    HD1  TYR 701           HD1      TYR 701  -6.201   3.275   4.222
  679    HD2  TYR 701           HD2      TYR 701  -3.691   0.663   1.994
  680    HE1  TYR 701           HE1      TYR 701  -5.889   5.031   2.537
  681    HE2  TYR 701           HE2      TYR 701  -3.361   2.415   0.303
  682    HH   TYR 701           HH       TYR 701  -4.545   4.429  -0.513
  683    H    MET 702           HN       MET 702  -7.377  -1.147   3.737
  684    HA   MET 702           HA       MET 702  -8.879   0.030   1.689
  685   1HB   MET 702           HB2      MET 702  -9.152  -2.682   2.988
  686   2HB   MET 702           HB1      MET 702  -9.958  -2.208   1.500
  687   1HG   MET 702           HG2      MET 702  -7.796  -1.868   0.435
  688   2HG   MET 702           HG1      MET 702  -6.987  -2.336   1.928
  689   1HE   MET 702           HE2      MET 702  -5.705  -4.009   0.101
  690   2HE   MET 702           HE1      MET 702  -6.567  -5.280  -0.765
  691   3HE   MET 702           HE3      MET 702  -6.843  -3.588  -1.179
  692    H    ASP 703           HN       ASP 703  -9.809  -1.150   4.872
  693    HA   ASP 703           HA       ASP 703 -12.581  -0.980   4.645
  694   1HB   ASP 703           HB2      ASP 703 -11.207  -2.057   6.493
  695   2HB   ASP 703           HB1      ASP 703 -11.007  -0.442   7.164
  696    H    LYS 704           HN       LYS 704 -10.185   1.441   5.485
  697    HA   LYS 704           HA       LYS 704 -12.042   3.431   6.304
  698   1HB   LYS 704           HB2      LYS 704  -9.167   3.708   5.428
  699   2HB   LYS 704           HB1      LYS 704 -10.119   4.978   6.181
  700   1HG   LYS 704           HG2      LYS 704 -10.391   3.511   8.170
  701   2HG   LYS 704           HG1      LYS 704  -9.282   2.366   7.412
  702   1HD   LYS 704           HD2      LYS 704  -8.050   3.731   8.965
  703   2HD   LYS 704           HD1      LYS 704  -7.571   4.162   7.323
  704   1HE   LYS 704           HE2      LYS 704  -7.848   6.184   8.583
  705   2HE   LYS 704           HE1      LYS 704  -9.172   6.067   7.424
  706   1HZ   LYS 704           HZ1      LYS 704 -10.520   5.107   9.292
  707   2HZ   LYS 704           HZ3      LYS 704  -9.268   5.551  10.348
  708   3HZ   LYS 704           HZ2      LYS 704 -10.104   6.739   9.471
  709    H    ILE 705           HN       ILE 705 -10.724   2.502   3.200
  710    HA   ILE 705           HA       ILE 705 -11.062   4.940   1.839
  711    HB   ILE 705           HB       ILE 705 -11.210   2.139   0.716
  712   1HG1  ILE 705          2HG1      ILE 705  -9.075   2.600   1.831
  713   2HG1  ILE 705          1HG1      ILE 705  -8.878   2.476   0.085
  714   1HG2  ILE 705          3HG2      ILE 705 -12.220   3.757  -0.787
  715   2HG2  ILE 705          2HG2      ILE 705 -10.785   4.777  -0.675
  716   3HG2  ILE 705          1HG2      ILE 705 -10.681   3.188  -1.433
  717   1HD1  ILE 705          3HD1      ILE 705  -9.015   5.044   1.655
  718   2HD1  ILE 705          2HD1      ILE 705  -7.549   4.290   1.027
  719   3HD1  ILE 705          1HD1      ILE 705  -8.773   4.900  -0.086
  720    H    ILE 706           HN       ILE 706 -13.261   2.173   2.234
  721    HA   ILE 706           HA       ILE 706 -15.355   3.285   0.665
  722    HB   ILE 706           HB       ILE 706 -15.362   1.105   2.759
  723   1HG1  ILE 706          2HG1      ILE 706 -15.975  -0.271   0.688
  724   2HG1  ILE 706          1HG1      ILE 706 -15.521   1.143  -0.255
  725   1HG2  ILE 706          3HG2      ILE 706 -17.539   2.181   2.822
  726   2HG2  ILE 706          2HG2      ILE 706 -17.687   2.021   1.072
  727   3HG2  ILE 706          1HG2      ILE 706 -17.658   0.581   2.089
  728   1HD1  ILE 706          3HD1      ILE 706 -13.265   1.020   0.664
  729   2HD1  ILE 706          2HD1      ILE 706 -13.723  -0.403   1.598
  730   3HD1  ILE 706          1HD1      ILE 706 -13.718  -0.470  -0.165
  731    H    LEU 707           HN       LEU 707 -14.485   3.409   4.054
  732    HA   LEU 707           HA       LEU 707 -16.819   4.709   4.988
  733   1HB   LEU 707           HB2      LEU 707 -15.204   3.521   6.441
  734   2HB   LEU 707           HB1      LEU 707 -14.024   4.781   6.131
  735    HG   LEU 707           HG       LEU 707 -15.540   6.423   7.205
  736   1HD1  LEU 707          3HD1      LEU 707 -17.188   3.981   7.840
  737   2HD1  LEU 707          2HD1      LEU 707 -17.418   5.577   8.554
  738   3HD1  LEU 707          1HD1      LEU 707 -17.665   5.342   6.822
  739   1HD2  LEU 707          1HD2      LEU 707 -14.809   4.032   8.890
  740   2HD2  LEU 707          3HD2      LEU 707 -13.755   5.388   8.486
  741   3HD2  LEU 707          2HD2      LEU 707 -15.176   5.645   9.499
  742    H    LYS 708           HN       LYS 708 -13.900   5.830   3.454
  743    HA   LYS 708           HA       LYS 708 -13.977   8.546   4.076
  744   1HB   LYS 708           HB2      LYS 708 -12.925   6.975   1.759
  745   2HB   LYS 708           HB1      LYS 708 -12.932   8.731   1.677
  746   1HG   LYS 708           HG2      LYS 708 -11.547   8.866   3.649
  747   2HG   LYS 708           HG1      LYS 708 -11.616   7.115   3.851
  748   1HD   LYS 708           HD2      LYS 708  -9.508   7.938   2.812
  749   2HD   LYS 708           HD1      LYS 708 -10.383   6.764   1.831
  750   1HE   LYS 708           HE2      LYS 708  -9.508   8.637   0.497
  751   2HE   LYS 708           HE1      LYS 708 -11.265   8.533   0.436
  752   1HZ   LYS 708           HZ3      LYS 708  -9.734  10.393   2.182
  753   2HZ   LYS 708           HZ2      LYS 708 -10.448  10.813   0.700
  754   3HZ   LYS 708           HZ1      LYS 708 -11.423  10.336   2.003
  755    H    LYS 709           HN       LYS 709 -15.621   6.779   1.477
  756    HA   LYS 709           HA       LYS 709 -16.861   9.111   0.389
  757   1HB   LYS 709           HB2      LYS 709 -17.550   6.181   0.108
  758   2HB   LYS 709           HB1      LYS 709 -18.354   7.469  -0.777
  759   1HG   LYS 709           HG2      LYS 709 -16.179   8.063  -1.798
  760   2HG   LYS 709           HG1      LYS 709 -15.454   6.678  -0.977
  761   1HD   LYS 709           HD2      LYS 709 -16.999   5.175  -2.140
  762   2HD   LYS 709           HD1      LYS 709 -17.742   6.554  -2.948
  763   1HE   LYS 709           HE2      LYS 709 -15.610   7.053  -4.045
  764   2HE   LYS 709           HE1      LYS 709 -14.874   5.666  -3.241
  765   1HZ   LYS 709           HZ3      LYS 709 -16.460   4.224  -4.386
  766   2HZ   LYS 709           HZ2      LYS 709 -17.126   5.563  -5.183
  767   3HZ   LYS 709           HZ1      LYS 709 -15.523   5.105  -5.498
  768    H    LYS 710           HN       LYS 710 -17.805   6.608   2.668
  769    HA   LYS 710           HA       LYS 710 -20.535   7.366   2.840
  770   1HB   LYS 710           HB2      LYS 710 -19.580   5.102   3.362
  771   2HB   LYS 710           HB1      LYS 710 -18.924   5.780   4.845
  772   1HG   LYS 710           HG2      LYS 710 -20.983   4.580   5.277
  773   2HG   LYS 710           HG1      LYS 710 -21.187   6.300   5.608
  774   1HD   LYS 710           HD2      LYS 710 -23.126   5.458   4.435
  775   2HD   LYS 710           HD1      LYS 710 -22.243   6.581   3.402
  776   1HE   LYS 710           HE2      LYS 710 -21.179   4.642   2.279
  777   2HE   LYS 710           HE1      LYS 710 -22.174   3.567   3.262
  778   1HZ   LYS 710           HZ3      LYS 710 -24.151   4.664   2.299
  779   2HZ   LYS 710           HZ2      LYS 710 -23.130   5.546   1.268
  780   3HZ   LYS 710           HZ1      LYS 710 -23.207   3.859   1.135
  781    H    GLN 711           HN       GLN 711 -17.665   8.484   4.425
  782    HA   GLN 711           HA       GLN 711 -18.907   9.533   6.755
  783   1HB   GLN 711           HB2      GLN 711 -16.507   9.058   6.675
  784   2HB   GLN 711           HB1      GLN 711 -16.290  10.278   5.428
  785   1HG   GLN 711           HG2      GLN 711 -15.561  11.213   7.481
  786   2HG   GLN 711           HG1      GLN 711 -17.087  11.986   7.059
  787   1HE2  GLN 711          1HE2      GLN 711 -16.835   8.760   8.387
  788   2HE2  GLN 711          2HE2      GLN 711 -17.545   9.128   9.925
  789    H    LYS 712           HN       LYS 712 -18.001  10.979   3.635
  790    HA   LYS 712           HA       LYS 712 -19.019  13.552   4.519
  791   1HB   LYS 712           HB2      LYS 712 -17.600  12.657   2.018
  792   2HB   LYS 712           HB1      LYS 712 -18.349  14.242   2.133
  793   1HG   LYS 712           HG2      LYS 712 -16.144  14.658   2.684
  794   2HG   LYS 712           HG1      LYS 712 -16.925  14.524   4.259
  795   1HD   LYS 712           HD2      LYS 712 -16.187  12.154   4.360
  796   2HD   LYS 712           HD1      LYS 712 -15.307  12.402   2.851
  797   1HE   LYS 712           HE2      LYS 712 -14.811  13.693   5.524
  798   2HE   LYS 712           HE1      LYS 712 -13.730  12.646   4.605
  799   1HZ   LYS 712           HZ1      LYS 712 -13.645  14.407   2.885
  800   2HZ   LYS 712           HZ3      LYS 712 -14.551  15.414   3.908
  801   3HZ   LYS 712           HZ2      LYS 712 -13.004  14.898   4.375
  802    H    LYS 713           HN       LYS 713 -19.784  11.007   2.221
  803    HA   LYS 713           HA       LYS 713 -22.422  12.250   1.866
  804   1HB   LYS 713           HB2      LYS 713 -20.720  10.998  -0.291
  805   2HB   LYS 713           HB1      LYS 713 -22.414  11.426  -0.494
  806   1HG   LYS 713           HG2      LYS 713 -21.726  13.793   0.141
  807   2HG   LYS 713           HG1      LYS 713 -20.064  13.246  -0.095
  808   1HD   LYS 713           HD2      LYS 713 -20.564  12.625  -2.385
  809   2HD   LYS 713           HD1      LYS 713 -22.256  13.067  -2.158
  810   1HE   LYS 713           HE2      LYS 713 -21.507  15.396  -1.669
  811   2HE   LYS 713           HE1      LYS 713 -19.869  14.907  -2.099
  812   1HZ   LYS 713           HZ1      LYS 713 -20.695  14.293  -4.308
  813   2HZ   LYS 713           HZ3      LYS 713 -22.242  14.850  -3.885
  814   3HZ   LYS 713           HZ2      LYS 713 -20.946  15.938  -3.974
  815    H    ALA 714           HN       ALA 714 -22.750  10.675   3.684
  816    HA   ALA 714           HA       ALA 714 -22.790   7.903   3.259
  817   1HB   ALA 714           HB1      ALA 714 -24.587   9.570   5.021
  818   2HB   ALA 714           HB3      ALA 714 -24.381   7.821   5.123
  819   3HB   ALA 714           HB2      ALA 714 -23.021   8.891   5.476

  No H/Q in entry =         819
  Start of MODEL    5
    1    H    VAL 622           HN       VAL 622  20.807  14.163  -4.820
    2    HA   VAL 622           HA       VAL 622  19.745  11.589  -5.660
    3    HB   VAL 622           HB       VAL 622  21.904  12.234  -6.585
    4   1HG1  VAL 622          2HG1      VAL 622  22.817  12.296  -3.722
    5   2HG1  VAL 622          1HG1      VAL 622  23.883  12.387  -5.125
    6   3HG1  VAL 622          3HG1      VAL 622  22.702  13.662  -4.828
    7   1HG2  VAL 622          2HG2      VAL 622  21.461   9.855  -6.234
    8   2HG2  VAL 622          1HG2      VAL 622  23.173  10.221  -6.035
    9   3HG2  VAL 622          3HG2      VAL 622  22.157   9.959  -4.617
   10    H    SER 623           HN       SER 623  19.454   9.893  -4.328
   11    HA   SER 623           HA       SER 623  20.538   9.783  -1.680
   12   1HB   SER 623           HB2      SER 623  18.679  11.208  -1.126
   13   2HB   SER 623           HB1      SER 623  17.570  10.231  -2.089
   14    HG   SER 623           HG       SER 623  18.511   9.846   0.480
   15    H    GLN 624           HN       GLN 624  20.926   7.722  -1.243
   16    HA   GLN 624           HA       GLN 624  20.216   5.676  -3.069
   17   1HB   GLN 624           HB2      GLN 624  21.359   5.440  -0.277
   18   2HB   GLN 624           HB1      GLN 624  21.314   4.156  -1.481
   19   1HG   GLN 624           HG2      GLN 624  22.783   6.768  -1.784
   20   2HG   GLN 624           HG1      GLN 624  23.515   5.231  -1.325
   21   1HE2  GLN 624          1HE2      GLN 624  21.963   3.614  -3.113
   22   2HE2  GLN 624          2HE2      GLN 624  22.549   3.928  -4.715
   23    H    SER 625           HN       SER 625  18.867   6.809  -0.063
   24    HA   SER 625           HA       SER 625  17.066   4.608   0.275
   25   1HB   SER 625           HB2      SER 625  16.842   7.389   1.443
   26   2HB   SER 625           HB1      SER 625  16.108   5.903   2.054
   27    HG   SER 625           HG       SER 625  17.850   5.757   3.205
   28    H    GLN 626           HN       GLN 626  16.902   7.822  -1.177
   29    HA   GLN 626           HA       GLN 626  14.149   7.747  -1.845
   30   1HB   GLN 626           HB2      GLN 626  15.644   9.787  -1.864
   31   2HB   GLN 626           HB1      GLN 626  16.338   9.180  -3.360
   32   1HG   GLN 626           HG2      GLN 626  14.120   9.277  -4.409
   33   2HG   GLN 626           HG1      GLN 626  13.460   9.938  -2.914
   34   1HE2  GLN 626          1HE2      GLN 626  16.607  10.730  -4.209
   35   2HE2  GLN 626          2HE2      GLN 626  16.248  12.372  -4.602
   36    H    ARG 627           HN       ARG 627  17.053   6.501  -3.315
   37    HA   ARG 627           HA       ARG 627  15.844   5.642  -5.756
   38   1HB   ARG 627           HB2      ARG 627  18.360   5.973  -5.233
   39   2HB   ARG 627           HB1      ARG 627  18.274   4.379  -4.495
   40   1HG   ARG 627           HG2      ARG 627  17.389   3.527  -6.688
   41   2HG   ARG 627           HG1      ARG 627  17.777   5.106  -7.368
   42   1HD   ARG 627           HD2      ARG 627  19.649   3.053  -6.234
   43   2HD   ARG 627           HD1      ARG 627  19.613   3.716  -7.866
   44    HE   ARG 627           HE       ARG 627  20.703   4.986  -5.477
   45   1HH1  ARG 627          1HH1      ARG 627  19.915   5.257  -8.869
   46   2HH1  ARG 627          2HH1      ARG 627  21.096   6.495  -9.190
   47   1HH2  ARG 627          1HH2      ARG 627  22.274   6.607  -5.880
   48   2HH2  ARG 627          2HH2      ARG 627  22.445   7.269  -7.476
   49    H    LEU 628           HN       LEU 628  16.452   4.258  -2.586
   50    HA   LEU 628           HA       LEU 628  15.615   1.632  -3.104
   51   1HB   LEU 628           HB2      LEU 628  15.872   3.283  -0.652
   52   2HB   LEU 628           HB1      LEU 628  14.931   1.809  -0.552
   53    HG   LEU 628           HG       LEU 628  17.844   2.085  -1.225
   54   1HD1  LEU 628          1HD1      LEU 628  17.268   2.125   1.146
   55   2HD1  LEU 628          3HD1      LEU 628  16.357   0.624   0.954
   56   3HD1  LEU 628          2HD1      LEU 628  18.108   0.631   0.729
   57   1HD2  LEU 628          2HD2      LEU 628  16.093  -0.357  -1.403
   58   2HD2  LEU 628          1HD2      LEU 628  16.912   0.451  -2.740
   59   3HD2  LEU 628          3HD2      LEU 628  17.854  -0.362  -1.491
   60    H    GLU 629           HN       GLU 629  13.783   4.551  -2.664
   61    HA   GLU 629           HA       GLU 629  11.327   3.397  -1.949
   62   1HB   GLU 629           HB2      GLU 629  11.923   5.875  -3.575
   63   2HB   GLU 629           HB1      GLU 629  10.305   5.427  -3.047
   64   1HG   GLU 629           HG2      GLU 629  11.062   5.535  -0.713
   65   2HG   GLU 629           HG1      GLU 629  12.656   6.035  -1.271
   66    H    HIS 630           HN       HIS 630  12.892   3.854  -5.055
   67    HA   HIS 630           HA       HIS 630  10.739   2.872  -6.635
   68   1HB   HIS 630           HB2      HIS 630  12.525   4.342  -7.540
   69   2HB   HIS 630           HB1      HIS 630  13.685   3.036  -7.330
   70    HD1  HIS 630           HD1      HIS 630  10.704   4.026  -9.418
   71    HD2  HIS 630           HD2      HIS 630  13.708   1.144  -9.335
   72    HE1  HIS 630           HE1      HIS 630  10.566   2.827 -11.631
   73    HE2  HIS 630           HE2      HIS 630  12.395   1.091 -11.563
   74    H    ASN 631           HN       ASN 631  13.643   1.418  -5.226
   75    HA   ASN 631           HA       ASN 631  13.229  -1.178  -6.298
   76   1HB   ASN 631           HB2      ASN 631  14.795  -0.143  -3.943
   77   2HB   ASN 631           HB1      ASN 631  14.654  -1.871  -4.252
   78   1HD2  ASN 631          1HD2      ASN 631  15.551  -2.746  -6.096
   79   2HD2  ASN 631          2HD2      ASN 631  16.812  -1.926  -6.966
   80    H    TRP 632           HN       TRP 632  12.352   0.345  -3.244
   81    HA   TRP 632           HA       TRP 632  10.919  -1.717  -2.078
   82   1HB   TRP 632           HB2      TRP 632  11.012   1.203  -1.850
   83   2HB   TRP 632           HB1      TRP 632   9.475   0.497  -1.368
   84    HD1  TRP 632           HD1      TRP 632  12.769   1.324   0.025
   85    HE1  TRP 632           HE1      TRP 632  13.114   0.154   2.291
   86    HE3  TRP 632           HE3      TRP 632   8.942  -2.033  -0.238
   87    HZ2  TRP 632           HZ2      TRP 632  11.889  -1.941   3.775
   88    HZ3  TRP 632           HZ3      TRP 632   8.589  -3.581   1.631
   89    HH2  TRP 632           HH2      TRP 632  10.021  -3.537   3.587
   90    H    ASN 633           HN       ASN 633   9.950   0.590  -4.572
   91    HA   ASN 633           HA       ASN 633   7.222  -0.038  -4.667
   92   1HB   ASN 633           HB2      ASN 633   9.044   0.893  -6.896
   93   2HB   ASN 633           HB1      ASN 633   7.296   0.769  -7.041
   94   1HD2  ASN 633          1HD2      ASN 633   7.197   1.656  -4.098
   95   2HD2  ASN 633          2HD2      ASN 633   7.359   3.368  -4.199
   96    H    LYS 634           HN       LYS 634  10.003  -1.523  -6.271
   97    HA   LYS 634           HA       LYS 634   8.648  -3.308  -7.950
   98   1HB   LYS 634           HB2      LYS 634  11.244  -3.785  -6.474
   99   2HB   LYS 634           HB1      LYS 634  10.674  -4.699  -7.858
  100   1HG   LYS 634           HG2      LYS 634  10.820  -2.656  -9.229
  101   2HG   LYS 634           HG1      LYS 634  11.482  -1.801  -7.831
  102   1HD   LYS 634           HD2      LYS 634  13.329  -3.412  -7.730
  103   2HD   LYS 634           HD1      LYS 634  12.676  -4.241  -9.142
  104   1HE   LYS 634           HE2      LYS 634  12.964  -2.162 -10.447
  105   2HE   LYS 634           HE1      LYS 634  13.705  -1.410  -9.033
  106   1HZ   LYS 634           HZ3      LYS 634  15.436  -3.106  -9.092
  107   2HZ   LYS 634           HZ2      LYS 634  14.724  -3.812 -10.454
  108   3HZ   LYS 634           HZ1      LYS 634  15.377  -2.251 -10.557
  109    H    PHE 635           HN       PHE 635   9.736  -3.672  -4.609
  110    HA   PHE 635           HA       PHE 635   9.026  -6.338  -4.220
  111   1HB   PHE 635           HB2      PHE 635  10.438  -5.174  -2.646
  112   2HB   PHE 635           HB1      PHE 635   9.148  -4.045  -2.251
  113    HD1  PHE 635           HD1      PHE 635   8.084  -4.386  -0.251
  114    HD2  PHE 635           HD2      PHE 635   9.680  -7.736  -2.328
  115    HE1  PHE 635           HE1      PHE 635   7.365  -5.860   1.583
  116    HE2  PHE 635           HE2      PHE 635   8.964  -9.218  -0.501
  117    HZ   PHE 635           HZ       PHE 635   7.804  -8.256   1.478
  118    H    PHE 636           HN       PHE 636   7.108  -3.443  -3.336
  119    HA   PHE 636           HA       PHE 636   4.910  -4.996  -2.433
  120   1HB   PHE 636           HB2      PHE 636   5.173  -2.067  -3.095
  121   2HB   PHE 636           HB1      PHE 636   3.684  -2.779  -2.484
  122    HD1  PHE 636           HD1      PHE 636   4.499  -4.591  -0.444
  123    HD2  PHE 636           HD2      PHE 636   6.143  -0.795  -1.425
  124    HE1  PHE 636           HE1      PHE 636   5.297  -4.352   1.857
  125    HE2  PHE 636           HE2      PHE 636   6.951  -0.553   0.877
  126    HZ   PHE 636           HZ       PHE 636   6.529  -2.340   2.517
  127    H    ALA 637           HN       ALA 637   5.705  -3.493  -5.510
  128    HA   ALA 637           HA       ALA 637   3.175  -3.724  -6.726
  129   1HB   ALA 637           HB3      ALA 637   5.882  -3.802  -8.051
  130   2HB   ALA 637           HB2      ALA 637   4.341  -3.470  -8.844
  131   3HB   ALA 637           HB1      ALA 637   4.978  -2.345  -7.645
  132    H    SER 638           HN       SER 638   5.560  -6.093  -5.986
  133    HA   SER 638           HA       SER 638   4.908  -7.960  -8.014
  134   1HB   SER 638           HB2      SER 638   6.218  -8.397  -5.324
  135   2HB   SER 638           HB1      SER 638   6.181  -9.568  -6.646
  136    HG   SER 638           HG       SER 638   7.712  -7.283  -6.333
  137    H    PHE 639           HN       PHE 639   3.693  -7.490  -4.695
  138    HA   PHE 639           HA       PHE 639   1.866  -9.730  -5.214
  139   1HB   PHE 639           HB2      PHE 639   1.575  -9.799  -2.694
  140   2HB   PHE 639           HB1      PHE 639   3.114 -10.345  -3.340
  141    HD1  PHE 639           HD1      PHE 639   1.403  -7.562  -1.644
  142    HD2  PHE 639           HD2      PHE 639   5.159  -9.295  -2.673
  143    HE1  PHE 639           HE1      PHE 639   2.546  -5.970  -0.162
  144    HE2  PHE 639           HE2      PHE 639   6.296  -7.704  -1.194
  145    HZ   PHE 639           HZ       PHE 639   5.073  -6.185   0.150
  146    H    VAL 640           HN       VAL 640   1.949  -6.389  -4.115
  147    HA   VAL 640           HA       VAL 640  -0.551  -6.275  -2.925
  148    HB   VAL 640           HB       VAL 640   1.151  -4.171  -4.213
  149   1HG1  VAL 640          3HG1      VAL 640  -1.558  -3.740  -2.956
  150   2HG1  VAL 640          2HG1      VAL 640  -0.427  -2.471  -3.420
  151   3HG1  VAL 640          1HG1      VAL 640  -1.151  -3.500  -4.655
  152   1HG2  VAL 640          2HG2      VAL 640   0.225  -4.670  -1.388
  153   2HG2  VAL 640          1HG2      VAL 640   1.821  -5.033  -2.040
  154   3HG2  VAL 640          3HG2      VAL 640   1.284  -3.359  -1.903
  155    HA   PRO 641           HA       PRO 641  -2.499  -4.687  -7.107
  156   1HB   PRO 641           HB2      PRO 641  -0.685  -5.990  -9.066
  157   2HB   PRO 641           HB1      PRO 641  -1.464  -4.405  -9.132
  158   1HG   PRO 641           HG2      PRO 641   1.132  -4.604  -8.619
  159   2HG   PRO 641           HG1      PRO 641   0.130  -3.419  -7.758
  160   1HD   PRO 641           HD2      PRO 641   1.151  -6.077  -6.820
  161   2HD   PRO 641           HD1      PRO 641   1.052  -4.534  -5.946
  162    H    ASN 642           HN       ASN 642  -0.867  -7.814  -6.971
  163    HA   ASN 642           HA       ASN 642  -2.888  -9.158  -8.495
  164   1HB   ASN 642           HB2      ASN 642  -0.612 -10.228  -6.824
  165   2HB   ASN 642           HB1      ASN 642  -1.667 -11.225  -7.821
  166   1HD2  ASN 642          1HD2      ASN 642   0.901  -8.902  -7.806
  167   2HD2  ASN 642          2HD2      ASN 642   1.308  -9.029  -9.486
  168    H    LEU 643           HN       LEU 643  -2.104  -8.864  -5.067
  169    HA   LEU 643           HA       LEU 643  -3.947 -10.706  -4.042
  170   1HB   LEU 643           HB2      LEU 643  -2.928  -8.116  -2.854
  171   2HB   LEU 643           HB1      LEU 643  -3.792  -9.338  -1.935
  172    HG   LEU 643           HG       LEU 643  -1.128  -9.756  -3.302
  173   1HD1  LEU 643          1HD1      LEU 643  -1.791  -9.337  -0.392
  174   2HD1  LEU 643          3HD1      LEU 643  -0.206  -9.770  -1.036
  175   3HD1  LEU 643          2HD1      LEU 643  -0.928  -8.211  -1.441
  176   1HD2  LEU 643          1HD2      LEU 643  -2.695 -11.514  -1.418
  177   2HD2  LEU 643          3HD2      LEU 643  -2.439 -11.802  -3.141
  178   3HD2  LEU 643          2HD2      LEU 643  -1.072 -11.841  -2.027
  179    H    ILE 644           HN       ILE 644  -4.259  -7.228  -4.548
  180    HA   ILE 644           HA       ILE 644  -7.006  -7.196  -3.729
  181    HB   ILE 644           HB       ILE 644  -5.065  -5.147  -4.648
  182   1HG1  ILE 644          2HG1      ILE 644  -6.642  -4.864  -2.219
  183   2HG1  ILE 644          1HG1      ILE 644  -5.609  -6.285  -2.239
  184   1HG2  ILE 644          3HG2      ILE 644  -7.984  -4.659  -4.115
  185   2HG2  ILE 644          2HG2      ILE 644  -6.758  -3.402  -4.260
  186   3HG2  ILE 644          1HG2      ILE 644  -7.144  -4.420  -5.650
  187   1HD1  ILE 644          3HD1      ILE 644  -3.679  -4.821  -2.707
  188   2HD1  ILE 644          2HD1      ILE 644  -4.745  -3.416  -2.616
  189   3HD1  ILE 644          1HD1      ILE 644  -4.477  -4.416  -1.188
  190    H    LYS 645           HN       LYS 645  -5.391  -7.475  -6.789
  191    HA   LYS 645           HA       LYS 645  -7.019  -6.210  -8.577
  192   1HB   LYS 645           HB2      LYS 645  -4.986  -7.465  -9.199
  193   2HB   LYS 645           HB1      LYS 645  -5.855  -8.976  -8.954
  194   1HG   LYS 645           HG2      LYS 645  -7.403  -8.375 -10.747
  195   2HG   LYS 645           HG1      LYS 645  -6.523  -6.868 -11.001
  196   1HD   LYS 645           HD2      LYS 645  -5.360  -9.638 -11.300
  197   2HD   LYS 645           HD1      LYS 645  -5.907  -8.615 -12.631
  198   1HE   LYS 645           HE2      LYS 645  -4.250  -6.905 -11.906
  199   2HE   LYS 645           HE1      LYS 645  -3.650  -8.053 -10.710
  200   1HZ   LYS 645           HZ3      LYS 645  -3.671  -8.481 -13.652
  201   2HZ   LYS 645           HZ2      LYS 645  -2.312  -8.063 -12.725
  202   3HZ   LYS 645           HZ1      LYS 645  -3.067  -9.566 -12.498
  203    H    LYS 646           HN       LYS 646  -7.790  -9.039  -6.732
  204    HA   LYS 646           HA       LYS 646 -10.521  -8.949  -7.285
  205   1HB   LYS 646           HB2      LYS 646  -9.747  -9.757  -9.549
  206   2HB   LYS 646           HB1      LYS 646  -9.179 -11.224  -8.761
  207   1HG   LYS 646           HG2      LYS 646 -11.355 -11.567  -9.790
  208   2HG   LYS 646           HG1      LYS 646 -11.455 -11.727  -8.035
  209   1HD   LYS 646           HD2      LYS 646 -12.259  -9.379  -7.918
  210   2HD   LYS 646           HD1      LYS 646 -12.264  -9.331  -9.682
  211   1HE   LYS 646           HE2      LYS 646 -13.853 -11.259  -7.997
  212   2HE   LYS 646           HE1      LYS 646 -14.495  -9.782  -8.712
  213   1HZ   LYS 646           HZ3      LYS 646 -13.357 -12.074 -10.224
  214   2HZ   LYS 646           HZ2      LYS 646 -15.007 -11.739 -10.036
  215   3HZ   LYS 646           HZ1      LYS 646 -14.019 -10.665 -10.901
  216    H    ASN 647           HN       ASN 647  -9.924  -9.058  -4.953
  217    HA   ASN 647           HA       ASN 647  -9.973 -11.914  -4.135
  218   1HB   ASN 647           HB2      ASN 647  -7.861 -10.644  -3.549
  219   2HB   ASN 647           HB1      ASN 647  -8.842  -9.584  -2.556
  220   1HD2  ASN 647          1HD2      ASN 647  -7.529 -12.786  -2.900
  221   2HD2  ASN 647          2HD2      ASN 647  -7.747 -13.271  -1.250
  222    HA   PRO 648           HA       PRO 648 -13.831 -10.987  -1.853
  223   1HB   PRO 648           HB2      PRO 648 -12.213 -11.577   0.599
  224   2HB   PRO 648           HB1      PRO 648 -13.860 -12.075   0.194
  225   1HG   PRO 648           HG2      PRO 648 -11.815 -13.763  -0.077
  226   2HG   PRO 648           HG1      PRO 648 -13.145 -13.738  -1.248
  227   1HD   PRO 648           HD2      PRO 648 -10.357 -12.780  -1.537
  228   2HD   PRO 648           HD1      PRO 648 -11.493 -13.342  -2.778
  229    H    GLN 649           HN       GLN 649 -10.737  -9.540  -1.028
  230    HA   GLN 649           HA       GLN 649 -11.888  -7.354   0.452
  231   1HB   GLN 649           HB2      GLN 649  -9.550  -6.417   0.204
  232   2HB   GLN 649           HB1      GLN 649  -9.675  -7.964   1.027
  233   1HG   GLN 649           HG2      GLN 649  -9.202  -8.985  -1.287
  234   2HG   GLN 649           HG1      GLN 649  -8.645  -7.372  -1.715
  235   1HE2  GLN 649          1HE2      GLN 649  -8.262  -8.656   1.505
  236   2HE2  GLN 649          2HE2      GLN 649  -6.553  -8.852   1.429
  237    H    SER 650           HN       SER 650 -10.802  -7.956  -2.836
  238    HA   SER 650           HA       SER 650 -11.227  -5.393  -3.925
  239   1HB   SER 650           HB2      SER 650  -9.967  -6.906  -5.228
  240   2HB   SER 650           HB1      SER 650 -11.166  -8.182  -5.061
  241    HG   SER 650           HG       SER 650 -10.944  -6.292  -6.958
  242    H    LYS 651           HN       LYS 651 -13.324  -8.094  -3.214
  243    HA   LYS 651           HA       LYS 651 -15.629  -7.234  -4.588
  244   1HB   LYS 651           HB2      LYS 651 -15.352  -9.500  -3.670
  245   2HB   LYS 651           HB1      LYS 651 -15.402  -8.848  -2.039
  246   1HG   LYS 651           HG2      LYS 651 -17.696  -8.118  -2.389
  247   2HG   LYS 651           HG1      LYS 651 -17.644  -8.731  -4.043
  248   1HD   LYS 651           HD2      LYS 651 -17.274 -10.992  -3.193
  249   2HD   LYS 651           HD1      LYS 651 -17.321 -10.381  -1.538
  250   1HE   LYS 651           HE2      LYS 651 -19.457 -11.378  -2.201
  251   2HE   LYS 651           HE1      LYS 651 -19.619  -9.660  -1.848
  252   1HZ   LYS 651           HZ1      LYS 651 -19.354 -10.807  -4.576
  253   2HZ   LYS 651           HZ3      LYS 651 -20.821 -10.349  -3.858
  254   3HZ   LYS 651           HZ2      LYS 651 -19.635  -9.181  -4.191
  255    H    GLN 652           HN       GLN 652 -14.021  -6.010  -1.870
  256    HA   GLN 652           HA       GLN 652 -16.388  -4.547  -0.928
  257   1HB   GLN 652           HB2      GLN 652 -13.663  -4.754   0.376
  258   2HB   GLN 652           HB1      GLN 652 -15.138  -4.125   1.098
  259   1HG   GLN 652           HG2      GLN 652 -16.131  -6.320   1.087
  260   2HG   GLN 652           HG1      GLN 652 -14.736  -6.979   0.238
  261   1HE2  GLN 652          1HE2      GLN 652 -15.967  -5.834   3.272
  262   2HE2  GLN 652          2HE2      GLN 652 -14.646  -6.384   4.245
  263    H    PHE 653           HN       PHE 653 -13.503  -4.365  -2.701
  264    HA   PHE 653           HA       PHE 653 -12.990  -1.547  -2.344
  265   1HB   PHE 653           HB2      PHE 653 -11.857  -3.816  -3.831
  266   2HB   PHE 653           HB1      PHE 653 -11.693  -2.255  -4.619
  267    HD1  PHE 653           HD1      PHE 653 -11.127  -0.392  -2.593
  268    HD2  PHE 653           HD2      PHE 653  -9.892  -4.449  -2.862
  269    HE1  PHE 653           HE1      PHE 653  -9.119   0.137  -1.282
  270    HE2  PHE 653           HE2      PHE 653  -7.890  -3.930  -1.546
  271    HZ   PHE 653           HZ       PHE 653  -7.499  -1.638  -0.768
  272    H    ASP 654           HN       ASP 654 -13.932   0.079  -3.386
  273    HA   ASP 654           HA       ASP 654 -15.488  -0.212  -5.760
  274   1HB   ASP 654           HB2      ASP 654 -15.523   1.748  -4.077
  275   2HB   ASP 654           HB1      ASP 654 -14.054   2.304  -4.865
  276    H    HIS 655           HN       HIS 655 -14.640   0.892  -7.870
  277    HA   HIS 655           HA       HIS 655 -12.405  -0.779  -8.532
  278   1HB   HIS 655           HB2      HIS 655 -14.184  -0.437 -10.180
  279   2HB   HIS 655           HB1      HIS 655 -13.792   1.280 -10.261
  280    HD1  HIS 655           HD1      HIS 655 -12.582   1.751 -12.361
  281    HD2  HIS 655           HD2      HIS 655 -11.501  -1.930 -10.749
  282    HE1  HIS 655           HE1      HIS 655 -10.777   0.850 -13.870
  283    HE2  HIS 655           HE2      HIS 655 -10.043  -1.315 -12.797
  284    H    GLU 656           HN       GLU 656 -12.893   2.722  -8.470
  285    HA   GLU 656           HA       GLU 656 -10.272   3.494  -9.064
  286   1HB   GLU 656           HB2      GLU 656 -10.869   5.631  -7.980
  287   2HB   GLU 656           HB1      GLU 656 -12.113   5.072  -9.088
  288   1HG   GLU 656           HG2      GLU 656 -13.427   4.249  -7.201
  289   2HG   GLU 656           HG1      GLU 656 -12.182   4.815  -6.088
  290    H    ASN 657           HN       ASN 657 -11.756   2.430  -6.084
  291    HA   ASN 657           HA       ASN 657  -9.810   3.250  -4.235
  292   1HB   ASN 657           HB2      ASN 657 -11.553   0.777  -4.213
  293   2HB   ASN 657           HB1      ASN 657 -10.614   1.350  -2.846
  294   1HD2  ASN 657          1HD2      ASN 657 -12.608   1.290  -1.757
  295   2HD2  ASN 657          2HD2      ASN 657 -13.715   2.597  -1.908
  296    H    ILE 658           HN       ILE 658 -10.230   0.303  -6.098
  297    HA   ILE 658           HA       ILE 658  -8.040  -1.119  -5.081
  298    HB   ILE 658           HB       ILE 658  -9.771  -1.338  -7.479
  299   1HG1  ILE 658          2HG1      ILE 658  -8.847  -3.273  -5.350
  300   2HG1  ILE 658          1HG1      ILE 658 -10.405  -2.454  -5.398
  301   1HG2  ILE 658          1HG2      ILE 658  -7.579  -1.628  -8.498
  302   2HG2  ILE 658          3HG2      ILE 658  -7.155  -2.834  -7.284
  303   3HG2  ILE 658          2HG2      ILE 658  -8.443  -3.163  -8.442
  304   1HD1  ILE 658          1HD1      ILE 658  -9.413  -4.485  -7.378
  305   2HD1  ILE 658          3HD1      ILE 658 -10.593  -4.755  -6.097
  306   3HD1  ILE 658          2HD1      ILE 658 -10.974  -3.665  -7.432
  307    H    LYS 659           HN       LYS 659  -8.284   1.079  -7.846
  308    HA   LYS 659           HA       LYS 659  -5.631   0.660  -8.751
  309   1HB   LYS 659           HB2      LYS 659  -7.690   2.780  -9.274
  310   2HB   LYS 659           HB1      LYS 659  -6.059   2.933  -9.915
  311   1HG   LYS 659           HG2      LYS 659  -7.926   0.626 -10.434
  312   2HG   LYS 659           HG1      LYS 659  -7.614   1.966 -11.542
  313   1HD   LYS 659           HD2      LYS 659  -5.554   0.002 -10.529
  314   2HD   LYS 659           HD1      LYS 659  -6.302  -0.025 -12.128
  315   1HE   LYS 659           HE2      LYS 659  -5.328   2.131 -12.656
  316   2HE   LYS 659           HE1      LYS 659  -4.668   2.262 -11.028
  317   1HZ   LYS 659           HZ1      LYS 659  -3.907   0.213 -13.041
  318   2HZ   LYS 659           HZ3      LYS 659  -2.989   1.571 -12.610
  319   3HZ   LYS 659           HZ2      LYS 659  -3.272   0.344 -11.475
  320    H    GLN 660           HN       GLN 660  -7.086   3.240  -6.772
  321    HA   GLN 660           HA       GLN 660  -4.647   4.635  -6.397
  322   1HB   GLN 660           HB2      GLN 660  -7.337   4.713  -5.109
  323   2HB   GLN 660           HB1      GLN 660  -5.993   5.469  -4.266
  324   1HG   GLN 660           HG2      GLN 660  -7.033   7.171  -5.509
  325   2HG   GLN 660           HG1      GLN 660  -5.548   6.774  -6.368
  326   1HE2  GLN 660          1HE2      GLN 660  -5.673   5.723  -8.358
  327   2HE2  GLN 660          2HE2      GLN 660  -7.140   5.658  -9.269
  328    H    CYS 661           HN       CYS 661  -6.306   2.128  -4.542
  329    HA   CYS 661           HA       CYS 661  -4.716   2.177  -2.252
  330   1HB   CYS 661           HB2      CYS 661  -6.733   0.898  -2.227
  331   2HB   CYS 661           HB1      CYS 661  -6.197  -0.090  -3.581
  332    HG   CYS 661           HG       CYS 661  -3.891  -0.737  -1.630
  333    H    ALA 662           HN       ALA 662  -4.403   0.037  -5.088
  334    HA   ALA 662           HA       ALA 662  -2.109  -1.294  -4.329
  335   1HB   ALA 662           HB1      ALA 662  -2.879  -0.481  -7.130
  336   2HB   ALA 662           HB2      ALA 662  -3.454  -1.912  -6.274
  337   3HB   ALA 662           HB3      ALA 662  -1.748  -1.762  -6.693
  338    H    LYS 663           HN       LYS 663  -2.303   1.683  -6.272
  339    HA   LYS 663           HA       LYS 663   0.457   2.028  -6.607
  340   1HB   LYS 663           HB2      LYS 663  -1.107   3.229  -7.988
  341   2HB   LYS 663           HB1      LYS 663  -1.803   4.034  -6.590
  342   1HG   LYS 663           HG2      LYS 663   0.240   5.278  -6.244
  343   2HG   LYS 663           HG1      LYS 663   1.022   4.412  -7.565
  344   1HD   LYS 663           HD2      LYS 663   0.293   6.610  -8.300
  345   2HD   LYS 663           HD1      LYS 663  -0.610   5.349  -9.137
  346   1HE   LYS 663           HE2      LYS 663  -2.108   7.129  -8.488
  347   2HE   LYS 663           HE1      LYS 663  -2.477   5.679  -7.557
  348   1HZ   LYS 663           HZ2      LYS 663  -0.597   7.525  -6.329
  349   2HZ   LYS 663           HZ1      LYS 663  -2.186   8.085  -6.474
  350   3HZ   LYS 663           HZ3      LYS 663  -1.870   6.651  -5.632
  351    H    ASP 664           HN       ASP 664  -1.738   3.307  -4.132
  352    HA   ASP 664           HA       ASP 664   0.363   4.905  -3.018
  353   1HB   ASP 664           HB2      ASP 664  -2.537   4.571  -2.407
  354   2HB   ASP 664           HB1      ASP 664  -1.482   5.349  -1.229
  355    H    ILE 665           HN       ILE 665  -1.024   1.759  -2.190
  356    HA   ILE 665           HA       ILE 665   0.145   1.693   0.410
  357    HB   ILE 665           HB       ILE 665  -1.567   0.061  -0.085
  358   1HG1  ILE 665          2HG1      ILE 665   1.007  -1.532   0.163
  359   2HG1  ILE 665          1HG1      ILE 665   0.359  -0.555   1.487
  360   1HG2  ILE 665          2HG2      ILE 665   0.329  -1.006  -2.155
  361   2HG2  ILE 665          1HG2      ILE 665  -1.160  -1.798  -1.642
  362   3HG2  ILE 665          3HG2      ILE 665  -1.228  -0.229  -2.443
  363   1HD1  ILE 665          1HD1      ILE 665  -1.090  -2.805   0.115
  364   2HD1  ILE 665          3HD1      ILE 665  -0.234  -2.921   1.653
  365   3HD1  ILE 665          2HD1      ILE 665  -1.654  -1.883   1.511
  366    H    VAL 666           HN       VAL 666   1.289   0.767  -2.799
  367    HA   VAL 666           HA       VAL 666   3.724  -0.373  -2.051
  368    HB   VAL 666           HB       VAL 666   2.999   1.196  -4.536
  369   1HG1  VAL 666          3HG1      VAL 666   5.389  -0.553  -3.996
  370   2HG1  VAL 666          2HG1      VAL 666   4.926   0.069  -5.582
  371   3HG1  VAL 666          1HG1      VAL 666   5.392   1.184  -4.298
  372   1HG2  VAL 666          2HG2      VAL 666   3.106  -1.770  -4.000
  373   2HG2  VAL 666          1HG2      VAL 666   1.650  -0.799  -4.225
  374   3HG2  VAL 666          3HG2      VAL 666   2.777  -1.023  -5.564
  375    H    LYS 667           HN       LYS 667   2.807   2.970  -2.696
  376    HA   LYS 667           HA       LYS 667   5.443   4.006  -2.286
  377   1HB   LYS 667           HB2      LYS 667   3.566   4.962  -3.734
  378   2HB   LYS 667           HB1      LYS 667   2.892   5.593  -2.240
  379   1HG   LYS 667           HG2      LYS 667   4.815   6.962  -1.866
  380   2HG   LYS 667           HG1      LYS 667   5.672   6.206  -3.213
  381   1HD   LYS 667           HD2      LYS 667   3.937   7.067  -4.747
  382   2HD   LYS 667           HD1      LYS 667   3.179   7.893  -3.385
  383   1HE   LYS 667           HE2      LYS 667   5.192   9.216  -3.048
  384   2HE   LYS 667           HE1      LYS 667   5.991   8.363  -4.367
  385   1HZ   LYS 667           HZ2      LYS 667   4.322   9.236  -5.887
  386   2HZ   LYS 667           HZ1      LYS 667   3.574  10.069  -4.612
  387   3HZ   LYS 667           HZ3      LYS 667   5.143  10.496  -5.097
  388    H    ILE 668           HN       ILE 668   2.511   3.835  -0.284
  389    HA   ILE 668           HA       ILE 668   3.653   5.537   1.724
  390    HB   ILE 668           HB       ILE 668   1.170   5.402   1.223
  391   1HG1  ILE 668          2HG1      ILE 668   2.058   5.093   4.101
  392   2HG1  ILE 668          1HG1      ILE 668   2.133   6.581   3.165
  393   1HG2  ILE 668          1HG2      ILE 668   1.383   2.919   2.921
  394   2HG2  ILE 668          3HG2      ILE 668  -0.122   3.734   2.492
  395   3HG2  ILE 668          2HG2      ILE 668   0.874   3.001   1.233
  396   1HD1  ILE 668          1HD1      ILE 668  -0.313   6.548   2.959
  397   2HD1  ILE 668          3HD1      ILE 668  -0.359   5.096   3.960
  398   3HD1  ILE 668          2HD1      ILE 668   0.228   6.616   4.637
  399    H    LEU 669           HN       LEU 669   3.230   2.029   1.365
  400    HA   LEU 669           HA       LEU 669   3.801   1.423   4.065
  401   1HB   LEU 669           HB2      LEU 669   2.948  -0.049   1.965
  402   2HB   LEU 669           HB1      LEU 669   4.623  -0.560   2.032
  403    HG   LEU 669           HG       LEU 669   2.730  -0.695   4.383
  404   1HD1  LEU 669          2HD1      LEU 669   3.557  -2.844   2.440
  405   2HD1  LEU 669          1HD1      LEU 669   2.649  -3.108   3.932
  406   3HD1  LEU 669          3HD1      LEU 669   1.940  -2.158   2.624
  407   1HD2  LEU 669          2HD2      LEU 669   5.147  -0.578   4.928
  408   2HD2  LEU 669          1HD2      LEU 669   4.408  -2.109   5.390
  409   3HD2  LEU 669          3HD2      LEU 669   5.407  -2.016   3.944
  410    H    THR 670           HN       THR 670   5.897   1.718   1.200
  411    HA   THR 670           HA       THR 670   8.290   1.130   2.592
  412    HB   THR 670           HB       THR 670   8.411   1.043   0.214
  413    HG1  THR 670           HG1      THR 670  10.314   1.811   1.215
  414   1HG2  THR 670          1HG2      THR 670   6.645   2.650  -0.321
  415   2HG2  THR 670          3HG2      THR 670   7.706   3.972   0.162
  416   3HG2  THR 670          2HG2      THR 670   8.119   2.975  -1.232
  417    H    THR 671           HN       THR 671   6.419   4.080   2.166
  418    HA   THR 671           HA       THR 671   8.257   5.852   3.334
  419    HB   THR 671           HB       THR 671   5.232   5.955   3.341
  420    HG1  THR 671           HG1      THR 671   5.889   6.074   1.250
  421   1HG2  THR 671          2HG2      THR 671   6.177   7.432   5.061
  422   2HG2  THR 671          1HG2      THR 671   7.237   8.161   3.851
  423   3HG2  THR 671          3HG2      THR 671   5.489   8.360   3.727
  424    H    LYS 672           HN       LYS 672   5.891   3.650   4.771
  425    HA   LYS 672           HA       LYS 672   6.273   4.478   7.468
  426   1HB   LYS 672           HB2      LYS 672   5.029   2.150   6.106
  427   2HB   LYS 672           HB1      LYS 672   5.536   1.907   7.767
  428   1HG   LYS 672           HG2      LYS 672   3.249   2.505   7.800
  429   2HG   LYS 672           HG1      LYS 672   4.155   3.895   8.392
  430   1HD   LYS 672           HD2      LYS 672   3.819   5.098   6.413
  431   2HD   LYS 672           HD1      LYS 672   3.348   3.653   5.513
  432   1HE   LYS 672           HE2      LYS 672   1.389   4.993   5.981
  433   2HE   LYS 672           HE1      LYS 672   1.312   3.488   6.893
  434   1HZ   LYS 672           HZ3      LYS 672   2.259   4.813   8.808
  435   2HZ   LYS 672           HZ2      LYS 672   1.929   6.205   7.900
  436   3HZ   LYS 672           HZ1      LYS 672   0.662   5.178   8.363
  437    H    GLU 673           HN       GLU 673   7.656   1.882   5.491
  438    HA   GLU 673           HA       GLU 673   9.331   0.738   7.422
  439   1HB   GLU 673           HB2      GLU 673   9.803   0.977   4.440
  440   2HB   GLU 673           HB1      GLU 673  10.612  -0.149   5.518
  441   1HG   GLU 673           HG2      GLU 673   7.641  -0.134   5.093
  442   2HG   GLU 673           HG1      GLU 673   8.752  -1.093   4.121
  443    H    LEU 674           HN       LEU 674   9.921   3.316   5.089
  444    HA   LEU 674           HA       LEU 674  12.649   3.697   5.828
  445   1HB   LEU 674           HB2      LEU 674  11.187   4.306   3.653
  446   2HB   LEU 674           HB1      LEU 674  11.165   5.860   4.460
  447    HG   LEU 674           HG       LEU 674  13.627   5.896   4.460
  448   1HD1  LEU 674          2HD1      LEU 674  13.353   3.322   2.911
  449   2HD1  LEU 674          1HD1      LEU 674  14.848   4.230   3.132
  450   3HD1  LEU 674          3HD1      LEU 674  14.042   3.502   4.523
  451   1HD2  LEU 674          3HD2      LEU 674  12.381   5.390   1.757
  452   2HD2  LEU 674          2HD2      LEU 674  12.409   6.929   2.619
  453   3HD2  LEU 674          1HD2      LEU 674  13.914   6.212   2.045
  454    H    LYS 675           HN       LYS 675   9.652   4.803   7.097
  455    HA   LYS 675           HA       LYS 675  10.788   7.087   8.437
  456   1HB   LYS 675           HB2      LYS 675   8.365   6.969   7.848
  457   2HB   LYS 675           HB1      LYS 675   8.177   5.674   9.024
  458   1HG   LYS 675           HG2      LYS 675   8.701   7.126  10.831
  459   2HG   LYS 675           HG1      LYS 675   9.199   8.411   9.729
  460   1HD   LYS 675           HD2      LYS 675   6.886   8.560   8.899
  461   2HD   LYS 675           HD1      LYS 675   6.408   7.316  10.058
  462   1HE   LYS 675           HE2      LYS 675   7.023   8.733  11.906
  463   2HE   LYS 675           HE1      LYS 675   7.675   9.947  10.808
  464   1HZ   LYS 675           HZ1      LYS 675   4.822   9.133  10.985
  465   2HZ   LYS 675           HZ3      LYS 675   5.488  10.564  11.609
  466   3HZ   LYS 675           HZ2      LYS 675   5.456  10.310   9.934
  467    H    LYS 676           HN       LYS 676  10.017   3.729   9.205
  468    HA   LYS 676           HA       LYS 676  10.836   3.815  11.907
  469   1HB   LYS 676           HB2      LYS 676  10.790   1.553   9.909
  470   2HB   LYS 676           HB1      LYS 676  11.263   1.334  11.589
  471   1HG   LYS 676           HG2      LYS 676   9.015   2.288  12.224
  472   2HG   LYS 676           HG1      LYS 676   8.577   2.158  10.520
  473   1HD   LYS 676           HD2      LYS 676   9.580  -0.163  12.159
  474   2HD   LYS 676           HD1      LYS 676   7.870   0.225  11.974
  475   1HE   LYS 676           HE2      LYS 676   9.703  -0.239   9.636
  476   2HE   LYS 676           HE1      LYS 676   8.803  -1.539  10.416
  477   1HZ   LYS 676           HZ2      LYS 676   7.562   0.885   9.232
  478   2HZ   LYS 676           HZ1      LYS 676   7.676  -0.620   8.451
  479   3HZ   LYS 676           HZ3      LYS 676   6.750  -0.460   9.867
  480    H    ASP 677           HN       ASP 677  12.605   3.040   8.927
  481    HA   ASP 677           HA       ASP 677  15.007   4.140  10.145
  482   1HB   ASP 677           HB2      ASP 677  15.292   1.791  10.653
  483   2HB   ASP 677           HB1      ASP 677  14.915   1.345   8.989
  484    H    SER 678           HN       SER 678  16.247   5.226   8.685
  485    HA   SER 678           HA       SER 678  14.930   5.779   6.197
  486   1HB   SER 678           HB2      SER 678  16.760   7.495   5.957
  487   2HB   SER 678           HB1      SER 678  15.772   7.656   7.407
  488    HG   SER 678           HG       SER 678  18.395   7.413   7.250
  489    H    SER 679           HN       SER 679  17.232   3.527   7.091
  490    HA   SER 679           HA       SER 679  18.237   3.384   4.323
  491   1HB   SER 679           HB2      SER 679  20.151   2.073   5.301
  492   2HB   SER 679           HB1      SER 679  20.090   3.755   5.825
  493    HG   SER 679           HG       SER 679  18.654   2.119   7.478
  494    H    ARG 680           HN       ARG 680  15.727   2.425   5.187
  495    HA   ARG 680           HA       ARG 680  15.868  -0.348   5.882
  496   1HB   ARG 680           HB2      ARG 680  13.981   1.612   6.127
  497   2HB   ARG 680           HB1      ARG 680  13.355   0.704   4.760
  498   1HG   ARG 680           HG2      ARG 680  14.037  -0.462   7.449
  499   2HG   ARG 680           HG1      ARG 680  12.418  -0.029   6.900
  500   1HD   ARG 680           HD2      ARG 680  12.629  -1.652   5.065
  501   2HD   ARG 680           HD1      ARG 680  14.226  -2.103   5.664
  502    HE   ARG 680           HE       ARG 680  12.146  -2.325   7.639
  503   1HH1  ARG 680          1HH1      ARG 680  13.771  -3.979   4.996
  504   2HH1  ARG 680          2HH1      ARG 680  13.387  -5.563   5.599
  505   1HH2  ARG 680          1HH2      ARG 680  11.642  -4.412   8.413
  506   2HH2  ARG 680          2HH2      ARG 680  12.187  -5.807   7.531
  507    H    ALA 681           HN       ALA 681  16.638  -1.723   4.405
  508    HA   ALA 681           HA       ALA 681  16.041  -1.401   1.588
  509   1HB   ALA 681           HB2      ALA 681  17.494  -3.636   3.004
  510   2HB   ALA 681           HB1      ALA 681  17.452  -3.345   1.266
  511   3HB   ALA 681           HB3      ALA 681  18.249  -2.191   2.334
  512    HA   PRO 682           HA       PRO 682  12.383  -3.849   1.582
  513   1HB   PRO 682           HB2      PRO 682  13.032  -4.677  -1.153
  514   2HB   PRO 682           HB1      PRO 682  11.715  -3.655  -0.580
  515   1HG   PRO 682           HG2      PRO 682  13.792  -2.677  -2.004
  516   2HG   PRO 682           HG1      PRO 682  12.947  -1.725  -0.769
  517   1HD   PRO 682           HD2      PRO 682  15.571  -3.149  -0.597
  518   2HD   PRO 682           HD1      PRO 682  15.097  -1.567   0.060
  519    HA   PRO 683           HA       PRO 683  13.860  -8.054   2.289
  520   1HB   PRO 683           HB2      PRO 683  11.361  -9.150   2.573
  521   2HB   PRO 683           HB1      PRO 683  12.235  -8.347   3.882
  522   1HG   PRO 683           HG2      PRO 683  10.084  -7.279   2.105
  523   2HG   PRO 683           HG1      PRO 683  10.313  -7.053   3.846
  524   1HD   PRO 683           HD2      PRO 683  10.980  -5.148   2.067
  525   2HD   PRO 683           HD1      PRO 683  11.924  -5.418   3.549
  526    H    ASP 684           HN       ASP 684  13.657 -10.067   1.141
  527    HA   ASP 684           HA       ASP 684  13.773  -9.798  -1.596
  528   1HB   ASP 684           HB2      ASP 684  13.140 -12.290   0.001
  529   2HB   ASP 684           HB1      ASP 684  13.648 -12.274  -1.690
  530    H    ASP 685           HN       ASP 685  11.213 -11.640   0.030
  531    HA   ASP 685           HA       ASP 685   9.196 -10.503  -1.760
  532   1HB   ASP 685           HB2      ASP 685   9.869 -13.460  -1.589
  533   2HB   ASP 685           HB1      ASP 685   8.312 -12.874  -2.162
  534    H    LEU 686           HN       LEU 686   7.036 -11.733  -1.156
  535    HA   LEU 686           HA       LEU 686   6.566 -10.891   1.521
  536   1HB   LEU 686           HB2      LEU 686   5.027 -10.844  -0.584
  537   2HB   LEU 686           HB1      LEU 686   4.608 -12.475  -0.093
  538    HG   LEU 686           HG       LEU 686   3.889 -11.591   2.109
  539   1HD1  LEU 686          1HD1      LEU 686   5.323  -9.597   2.108
  540   2HD1  LEU 686          3HD1      LEU 686   4.338  -8.902   0.820
  541   3HD1  LEU 686          2HD1      LEU 686   3.633  -9.198   2.408
  542   1HD2  LEU 686          3HD2      LEU 686   2.577 -10.349  -0.307
  543   2HD2  LEU 686          2HD2      LEU 686   2.254 -11.953   0.351
  544   3HD2  LEU 686          1HD2      LEU 686   1.836 -10.518   1.286
  545    H    THR 687           HN       THR 687   7.677 -12.197   2.924
  546    HA   THR 687           HA       THR 687   7.312 -15.051   2.964
  547    HB   THR 687           HB       THR 687   8.507 -14.853   5.189
  548    HG1  THR 687           HG1      THR 687   9.459 -12.758   5.581
  549   1HG2  THR 687          3HG2      THR 687   9.833 -13.586   2.788
  550   2HG2  THR 687          2HG2      THR 687  10.675 -14.247   4.189
  551   3HG2  THR 687          1HG2      THR 687   9.744 -15.311   3.136
  552    H    LYS 688           HN       LYS 688   6.632 -15.956   5.300
  553    HA   LYS 688           HA       LYS 688   3.897 -15.415   5.555
  554   1HB   LYS 688           HB2      LYS 688   5.775 -16.754   7.507
  555   2HB   LYS 688           HB1      LYS 688   4.021 -16.754   7.654
  556   1HG   LYS 688           HG2      LYS 688   3.879 -17.881   5.458
  557   2HG   LYS 688           HG1      LYS 688   5.640 -17.965   5.426
  558   1HD   LYS 688           HD2      LYS 688   3.882 -19.194   7.548
  559   2HD   LYS 688           HD1      LYS 688   4.591 -20.066   6.189
  560   1HE   LYS 688           HE2      LYS 688   6.838 -19.422   7.000
  561   2HE   LYS 688           HE1      LYS 688   6.082 -18.666   8.404
  562   1HZ   LYS 688           HZ3      LYS 688   5.163 -20.827   9.010
  563   2HZ   LYS 688           HZ2      LYS 688   5.925 -21.543   7.673
  564   3HZ   LYS 688           HZ1      LYS 688   6.854 -20.884   8.928
  565    H    GLY 689           HN       GLY 689   6.646 -14.283   7.479
  566   1HA   GLY 689           HA1      GLY 689   6.804 -12.632   9.066
  567   2HA   GLY 689           HA2      GLY 689   5.092 -12.861   9.382
  568    H    LYS 690           HN       LYS 690   6.616 -11.915   6.327
  569    HA   LYS 690           HA       LYS 690   5.965  -9.149   6.646
  570   1HB   LYS 690           HB2      LYS 690   7.791 -10.220   5.144
  571   2HB   LYS 690           HB1      LYS 690   6.487 -10.447   3.987
  572   1HG   LYS 690           HG2      LYS 690   7.679  -8.413   3.484
  573   2HG   LYS 690           HG1      LYS 690   6.049  -8.022   4.041
  574   1HD   LYS 690           HD2      LYS 690   6.910  -7.532   6.266
  575   2HD   LYS 690           HD1      LYS 690   8.538  -7.964   5.746
  576   1HE   LYS 690           HE2      LYS 690   8.413  -6.124   4.067
  577   2HE   LYS 690           HE1      LYS 690   6.870  -5.648   4.777
  578   1HZ   LYS 690           HZ2      LYS 690   9.459  -5.773   6.230
  579   2HZ   LYS 690           HZ1      LYS 690   8.730  -4.345   5.665
  580   3HZ   LYS 690           HZ3      LYS 690   7.982  -5.266   6.876
  581    H    ARG 691           HN       ARG 691   4.521 -11.894   4.979
  582    HA   ARG 691           HA       ARG 691   2.455 -10.617   3.626
  583   1HB   ARG 691           HB2      ARG 691   2.873 -12.916   3.172
  584   2HB   ARG 691           HB1      ARG 691   2.652 -13.362   4.857
  585   1HG   ARG 691           HG2      ARG 691   0.263 -12.776   4.664
  586   2HG   ARG 691           HG1      ARG 691   0.514 -12.430   2.952
  587   1HD   ARG 691           HD2      ARG 691   1.043 -14.696   2.486
  588   2HD   ARG 691           HD1      ARG 691   1.161 -15.091   4.202
  589    HE   ARG 691           HE       ARG 691  -1.407 -14.212   3.895
  590   1HH1  ARG 691          1HH1      ARG 691   0.516 -16.707   2.338
  591   2HH1  ARG 691          2HH1      ARG 691  -0.851 -17.747   2.066
  592   1HH2  ARG 691          1HH2      ARG 691  -3.176 -15.567   3.524
  593   2HH2  ARG 691          2HH2      ARG 691  -2.959 -17.091   2.716
  594    H    HIS 692           HN       HIS 692   2.515 -11.938   6.919
  595    HA   HIS 692           HA       HIS 692  -0.156 -11.351   7.557
  596   1HB   HIS 692           HB2      HIS 692   1.621 -12.790   8.815
  597   2HB   HIS 692           HB1      HIS 692   2.033 -11.277   9.613
  598    HD1  HIS 692           HD1      HIS 692   0.826 -10.965  11.769
  599    HD2  HIS 692           HD2      HIS 692  -1.343 -13.278   9.075
  600    HE1  HIS 692           HE1      HIS 692  -1.265 -11.648  12.985
  601    HE2  HIS 692           HE2      HIS 692  -2.430 -13.244  11.414
  602    H    LYS 693           HN       LYS 693   2.804  -9.483   7.801
  603    HA   LYS 693           HA       LYS 693   1.694  -7.300   9.232
  604   1HB   LYS 693           HB2      LYS 693   4.116  -7.882   9.131
  605   2HB   LYS 693           HB1      LYS 693   4.140  -7.334   7.461
  606   1HG   LYS 693           HG2      LYS 693   3.636  -5.091   8.131
  607   2HG   LYS 693           HG1      LYS 693   3.395  -5.595   9.803
  608   1HD   LYS 693           HD2      LYS 693   6.012  -5.969   8.362
  609   2HD   LYS 693           HD1      LYS 693   5.623  -4.494   9.242
  610   1HE   LYS 693           HE2      LYS 693   6.882  -5.848  10.722
  611   2HE   LYS 693           HE1      LYS 693   5.210  -5.939  11.265
  612   1HZ   LYS 693           HZ2      LYS 693   6.509  -7.997   9.558
  613   2HZ   LYS 693           HZ1      LYS 693   6.407  -8.095  11.246
  614   3HZ   LYS 693           HZ3      LYS 693   4.990  -8.098  10.316
  615    H    VAL 694           HN       VAL 694   2.417  -7.760   5.747
  616    HA   VAL 694           HA       VAL 694   1.504  -5.153   5.043
  617    HB   VAL 694           HB       VAL 694   1.682  -5.800   2.736
  618   1HG1  VAL 694          1HG1      VAL 694   3.926  -6.917   4.409
  619   2HG1  VAL 694          3HG1      VAL 694   4.030  -6.544   2.687
  620   3HG1  VAL 694          2HG1      VAL 694   3.739  -5.254   3.852
  621   1HG2  VAL 694          2HG2      VAL 694   2.044  -8.623   3.734
  622   2HG2  VAL 694          1HG2      VAL 694   0.672  -8.003   2.815
  623   3HG2  VAL 694          3HG2      VAL 694   2.266  -8.093   2.068
  624    H    LYS 695           HN       LYS 695  -0.030  -8.327   5.154
  625    HA   LYS 695           HA       LYS 695  -2.431  -7.567   3.836
  626   1HB   LYS 695           HB2      LYS 695  -1.548  -9.880   5.473
  627   2HB   LYS 695           HB1      LYS 695  -3.280  -9.609   5.338
  628   1HG   LYS 695           HG2      LYS 695  -1.343  -9.988   3.066
  629   2HG   LYS 695           HG1      LYS 695  -2.560 -11.141   3.624
  630   1HD   LYS 695           HD2      LYS 695  -4.309  -9.453   3.095
  631   2HD   LYS 695           HD1      LYS 695  -3.051  -8.426   2.409
  632   1HE   LYS 695           HE2      LYS 695  -4.145  -9.610   0.634
  633   2HE   LYS 695           HE1      LYS 695  -2.506 -10.232   0.815
  634   1HZ   LYS 695           HZ2      LYS 695  -4.719 -11.579   2.212
  635   2HZ   LYS 695           HZ1      LYS 695  -4.488 -11.849   0.549
  636   3HZ   LYS 695           HZ3      LYS 695  -3.249 -12.217   1.646
  637    H    GLU 696           HN       GLU 696  -1.390  -7.538   7.218
  638    HA   GLU 696           HA       GLU 696  -3.923  -6.801   8.280
  639   1HB   GLU 696           HB2      GLU 696  -2.176  -7.781   9.690
  640   2HB   GLU 696           HB1      GLU 696  -1.144  -6.386   9.402
  641   1HG   GLU 696           HG2      GLU 696  -2.731  -4.953  10.551
  642   2HG   GLU 696           HG1      GLU 696  -3.800  -6.331  10.811
  643    H    PHE 697           HN       PHE 697  -1.100  -5.014   7.168
  644    HA   PHE 697           HA       PHE 697  -1.970  -2.429   7.842
  645   1HB   PHE 697           HB2      PHE 697   0.334  -2.790   7.243
  646   2HB   PHE 697           HB1      PHE 697  -0.116  -3.425   5.666
  647    HD1  PHE 697           HD1      PHE 697   0.067  -0.372   7.726
  648    HD2  PHE 697           HD2      PHE 697  -0.500  -1.992   3.836
  649    HE1  PHE 697           HE1      PHE 697   0.296   1.878   6.759
  650    HE2  PHE 697           HE2      PHE 697  -0.274   0.251   2.860
  651    HZ   PHE 697           HZ       PHE 697   0.126   2.188   4.318
  652    H    ILE 698           HN       ILE 698  -2.315  -4.313   4.844
  653    HA   ILE 698           HA       ILE 698  -3.741  -2.261   3.500
  654    HB   ILE 698           HB       ILE 698  -2.469  -4.036   2.302
  655   1HG1  ILE 698          2HG1      ILE 698  -4.026  -4.226   0.458
  656   2HG1  ILE 698          1HG1      ILE 698  -5.391  -3.906   1.525
  657   1HG2  ILE 698          2HG2      ILE 698  -3.202  -5.948   3.657
  658   2HG2  ILE 698          1HG2      ILE 698  -4.819  -5.796   2.980
  659   3HG2  ILE 698          3HG2      ILE 698  -3.461  -6.212   1.935
  660   1HD1  ILE 698          3HD1      ILE 698  -4.475  -1.660   1.948
  661   2HD1  ILE 698          2HD1      ILE 698  -3.201  -1.994   0.776
  662   3HD1  ILE 698          1HD1      ILE 698  -4.883  -1.945   0.257
  663    H    ASN 699           HN       ASN 699  -4.746  -5.021   5.449
  664    HA   ASN 699           HA       ASN 699  -7.435  -5.157   4.795
  665   1HB   ASN 699           HB2      ASN 699  -6.477  -6.793   6.248
  666   2HB   ASN 699           HB1      ASN 699  -6.010  -5.574   7.426
  667   1HD2  ASN 699          1HD2      ASN 699  -7.551  -4.718   8.792
  668   2HD2  ASN 699          2HD2      ASN 699  -9.088  -5.477   9.039
  669    H    SER 700           HN       SER 700  -5.988  -3.181   7.405
  670    HA   SER 700           HA       SER 700  -8.393  -1.753   7.919
  671   1HB   SER 700           HB2      SER 700  -6.558  -1.993   9.579
  672   2HB   SER 700           HB1      SER 700  -5.550  -0.956   8.572
  673    HG   SER 700           HG       SER 700  -6.489   0.305  10.155
  674    H    TYR 701           HN       TYR 701  -5.619  -1.224   5.838
  675    HA   TYR 701           HA       TYR 701  -6.000   1.419   5.073
  676   1HB   TYR 701           HB2      TYR 701  -4.081  -0.076   4.458
  677   2HB   TYR 701           HB1      TYR 701  -5.125  -0.871   3.292
  678    HD1  TYR 701           HD1      TYR 701  -5.998   0.464   1.344
  679    HD2  TYR 701           HD2      TYR 701  -2.959   1.930   3.931
  680    HE1  TYR 701           HE1      TYR 701  -5.357   2.120  -0.353
  681    HE2  TYR 701           HE2      TYR 701  -2.310   3.584   2.246
  682    HH   TYR 701           HH       TYR 701  -2.470   3.970  -0.111
  683    H    MET 702           HN       MET 702  -7.371  -1.531   3.674
  684    HA   MET 702           HA       MET 702  -8.928  -0.421   1.634
  685   1HB   MET 702           HB2      MET 702  -9.489  -2.856   3.336
  686   2HB   MET 702           HB1      MET 702 -10.251  -2.491   1.793
  687   1HG   MET 702           HG2      MET 702  -8.156  -2.687   0.656
  688   2HG   MET 702           HG1      MET 702  -7.304  -2.894   2.183
  689   1HE   MET 702           HE1      MET 702  -6.174  -4.968   0.966
  690   2HE   MET 702           HE3      MET 702  -7.079  -6.340   0.322
  691   3HE   MET 702           HE2      MET 702  -7.200  -4.760  -0.452
  692    H    ASP 703           HN       ASP 703  -9.720  -1.176   4.995
  693    HA   ASP 703           HA       ASP 703 -12.419  -0.574   5.026
  694   1HB   ASP 703           HB2      ASP 703 -11.336  -1.627   6.917
  695   2HB   ASP 703           HB1      ASP 703 -10.337  -0.202   7.186
  696    H    LYS 704           HN       LYS 704  -9.660   1.597   5.317
  697    HA   LYS 704           HA       LYS 704 -11.265   3.862   6.027
  698   1HB   LYS 704           HB2      LYS 704  -8.451   3.240   5.868
  699   2HB   LYS 704           HB1      LYS 704  -8.784   4.805   5.139
  700   1HG   LYS 704           HG2      LYS 704  -8.217   4.961   7.528
  701   2HG   LYS 704           HG1      LYS 704  -9.826   5.585   7.165
  702   1HD   LYS 704           HD2      LYS 704  -9.938   4.276   9.186
  703   2HD   LYS 704           HD1      LYS 704 -10.781   3.413   7.899
  704   1HE   LYS 704           HE2      LYS 704  -8.743   2.047   7.545
  705   2HE   LYS 704           HE1      LYS 704  -7.995   2.862   8.917
  706   1HZ   LYS 704           HZ2      LYS 704 -10.474   1.222   9.026
  707   2HZ   LYS 704           HZ1      LYS 704  -8.937   0.722   9.543
  708   3HZ   LYS 704           HZ3      LYS 704  -9.734   1.985  10.346
  709    H    ILE 705           HN       ILE 705 -10.028   2.546   3.007
  710    HA   ILE 705           HA       ILE 705 -10.482   4.928   1.488
  711    HB   ILE 705           HB       ILE 705 -10.370   2.096   0.430
  712   1HG1  ILE 705          2HG1      ILE 705  -8.351   2.561   1.744
  713   2HG1  ILE 705          1HG1      ILE 705  -7.983   2.489   0.024
  714   1HG2  ILE 705          3HG2      ILE 705  -9.849   4.762  -0.881
  715   2HG2  ILE 705          2HG2      ILE 705  -9.637   3.188  -1.645
  716   3HG2  ILE 705          1HG2      ILE 705 -11.245   3.718  -1.152
  717   1HD1  ILE 705          2HD1      ILE 705  -8.314   5.002   1.649
  718   2HD1  ILE 705          1HD1      ILE 705  -6.785   4.298   1.119
  719   3HD1  ILE 705          3HD1      ILE 705  -7.927   4.924  -0.070
  720    H    ILE 706           HN       ILE 706 -12.274   1.977   2.185
  721    HA   ILE 706           HA       ILE 706 -14.559   2.575   0.621
  722    HB   ILE 706           HB       ILE 706 -14.398   0.925   3.150
  723   1HG1  ILE 706          2HG1      ILE 706 -14.172   0.028   0.270
  724   2HG1  ILE 706          1HG1      ILE 706 -12.812   0.204   1.374
  725   1HG2  ILE 706          3HG2      ILE 706 -16.432   0.961   0.925
  726   2HG2  ILE 706          2HG2      ILE 706 -16.389  -0.207   2.245
  727   3HG2  ILE 706          1HG2      ILE 706 -16.676   1.500   2.587
  728   1HD1  ILE 706          1HD1      ILE 706 -15.124  -1.682   1.725
  729   2HD1  ILE 706          3HD1      ILE 706 -13.510  -2.113   1.168
  730   3HD1  ILE 706          2HD1      ILE 706 -13.746  -1.517   2.810
  731    H    LEU 707           HN       LEU 707 -13.613   3.190   3.944
  732    HA   LEU 707           HA       LEU 707 -15.955   4.247   4.980
  733   1HB   LEU 707           HB2      LEU 707 -13.938   3.682   6.286
  734   2HB   LEU 707           HB1      LEU 707 -13.114   5.066   5.597
  735    HG   LEU 707           HG       LEU 707 -14.805   6.547   6.683
  736   1HD1  LEU 707          3HD1      LEU 707 -16.614   4.924   6.877
  737   2HD1  LEU 707          2HD1      LEU 707 -15.665   3.993   8.034
  738   3HD1  LEU 707          1HD1      LEU 707 -16.209   5.617   8.447
  739   1HD2  LEU 707          3HD2      LEU 707 -13.256   4.716   8.516
  740   2HD2  LEU 707          2HD2      LEU 707 -12.630   6.152   7.706
  741   3HD2  LEU 707          1HD2      LEU 707 -13.882   6.310   8.938
  742    H    LYS 708           HN       LYS 708 -13.240   6.011   3.474
  743    HA   LYS 708           HA       LYS 708 -14.408   8.561   3.771
  744   1HB   LYS 708           HB2      LYS 708 -12.310   7.626   1.810
  745   2HB   LYS 708           HB1      LYS 708 -12.718   9.307   2.120
  746   1HG   LYS 708           HG2      LYS 708 -11.524   7.349   4.065
  747   2HG   LYS 708           HG1      LYS 708 -10.727   8.742   3.328
  748   1HD   LYS 708           HD2      LYS 708 -12.425  10.200   4.443
  749   2HD   LYS 708           HD1      LYS 708 -13.016   8.768   5.289
  750   1HE   LYS 708           HE2      LYS 708 -11.506   9.920   6.744
  751   2HE   LYS 708           HE1      LYS 708 -10.723   8.438   6.198
  752   1HZ   LYS 708           HZ1      LYS 708 -10.262  11.123   5.007
  753   2HZ   LYS 708           HZ3      LYS 708  -9.249  10.400   6.160
  754   3HZ   LYS 708           HZ2      LYS 708  -9.427   9.692   4.626
  755    H    LYS 709           HN       LYS 709 -14.735   6.115   1.319
  756    HA   LYS 709           HA       LYS 709 -15.883   7.850  -0.645
  757   1HB   LYS 709           HB2      LYS 709 -14.699   5.717  -1.186
  758   2HB   LYS 709           HB1      LYS 709 -16.038   4.834  -0.470
  759   1HG   LYS 709           HG2      LYS 709 -16.220   4.870  -2.887
  760   2HG   LYS 709           HG1      LYS 709 -17.551   5.766  -2.153
  761   1HD   LYS 709           HD2      LYS 709 -16.293   7.867  -2.558
  762   2HD   LYS 709           HD1      LYS 709 -15.062   6.925  -3.401
  763   1HE   LYS 709           HE2      LYS 709 -17.967   6.961  -4.188
  764   2HE   LYS 709           HE1      LYS 709 -16.764   8.053  -4.867
  765   1HZ   LYS 709           HZ3      LYS 709 -16.649   5.084  -5.026
  766   2HZ   LYS 709           HZ2      LYS 709 -17.160   6.114  -6.269
  767   3HZ   LYS 709           HZ1      LYS 709 -15.557   6.172  -5.735
  768    H    LYS 710           HN       LYS 710 -17.187   5.482   1.666
  769    HA   LYS 710           HA       LYS 710 -19.879   5.903   0.742
  770   1HB   LYS 710           HB2      LYS 710 -20.528   4.310   2.462
  771   2HB   LYS 710           HB1      LYS 710 -19.167   3.704   1.529
  772   1HG   LYS 710           HG2      LYS 710 -17.645   4.314   3.326
  773   2HG   LYS 710           HG1      LYS 710 -18.997   4.963   4.259
  774   1HD   LYS 710           HD2      LYS 710 -20.026   2.748   4.308
  775   2HD   LYS 710           HD1      LYS 710 -18.680   2.100   3.369
  776   1HE   LYS 710           HE2      LYS 710 -17.138   2.646   5.158
  777   2HE   LYS 710           HE1      LYS 710 -18.443   3.386   6.084
  778   1HZ   LYS 710           HZ2      LYS 710 -18.328   0.526   5.291
  779   2HZ   LYS 710           HZ1      LYS 710 -17.932   1.128   6.829
  780   3HZ   LYS 710           HZ3      LYS 710 -19.521   1.259   6.249
  781    H    GLN 711           HN       GLN 711 -17.926   7.095   3.422
  782    HA   GLN 711           HA       GLN 711 -20.145   8.123   4.890
  783   1HB   GLN 711           HB2      GLN 711 -17.210   8.827   5.002
  784   2HB   GLN 711           HB1      GLN 711 -18.417   9.503   6.086
  785   1HG   GLN 711           HG2      GLN 711 -17.548   6.638   5.854
  786   2HG   GLN 711           HG1      GLN 711 -17.357   7.722   7.233
  787   1HE2  GLN 711          1HE2      GLN 711 -19.140   8.168   8.545
  788   2HE2  GLN 711          2HE2      GLN 711 -20.580   7.203   8.489
  789    H    LYS 712           HN       LYS 712 -18.539   9.147   2.072
  790    HA   LYS 712           HA       LYS 712 -19.471  11.892   2.304
  791   1HB   LYS 712           HB2      LYS 712 -17.344  11.557   1.173
  792   2HB   LYS 712           HB1      LYS 712 -18.075  10.405   0.064
  793   1HG   LYS 712           HG2      LYS 712 -19.490  12.214  -0.839
  794   2HG   LYS 712           HG1      LYS 712 -18.662  13.355   0.221
  795   1HD   LYS 712           HD2      LYS 712 -17.239  11.641  -1.803
  796   2HD   LYS 712           HD1      LYS 712 -17.826  13.267  -2.153
  797   1HE   LYS 712           HE2      LYS 712 -15.893  12.574   0.056
  798   2HE   LYS 712           HE1      LYS 712 -15.423  13.178  -1.532
  799   1HZ   LYS 712           HZ3      LYS 712 -16.739  15.185  -1.085
  800   2HZ   LYS 712           HZ2      LYS 712 -17.097  14.607   0.469
  801   3HZ   LYS 712           HZ1      LYS 712 -15.494  14.973   0.049
  802    H    LYS 713           HN       LYS 713 -19.996   9.042   0.262
  803    HA   LYS 713           HA       LYS 713 -22.654  10.128  -0.386
  804   1HB   LYS 713           HB2      LYS 713 -21.124  10.401  -2.295
  805   2HB   LYS 713           HB1      LYS 713 -20.808   8.671  -2.289
  806   1HG   LYS 713           HG2      LYS 713 -22.963   8.159  -3.041
  807   2HG   LYS 713           HG1      LYS 713 -23.581   9.759  -2.627
  808   1HD   LYS 713           HD2      LYS 713 -23.283   9.491  -5.047
  809   2HD   LYS 713           HD1      LYS 713 -22.247  10.758  -4.392
  810   1HE   LYS 713           HE2      LYS 713 -20.371   9.148  -4.355
  811   2HE   LYS 713           HE1      LYS 713 -21.422   7.945  -5.104
  812   1HZ   LYS 713           HZ1      LYS 713 -20.688  10.568  -6.290
  813   2HZ   LYS 713           HZ3      LYS 713 -20.029   9.072  -6.738
  814   3HZ   LYS 713           HZ2      LYS 713 -21.668   9.392  -7.012
  815    H    ALA 714           HN       ALA 714 -23.247   8.792   1.448
  816    HA   ALA 714           HA       ALA 714 -23.382   5.934   1.007
  817   1HB   ALA 714           HB1      ALA 714 -24.668   7.648   3.133
  818   2HB   ALA 714           HB3      ALA 714 -24.621   5.886   3.116
  819   3HB   ALA 714           HB2      ALA 714 -23.125   6.806   3.279

  No H/Q in entry =         819
  Start of MODEL    6
    1    H    VAL 622           HN       VAL 622  22.171  14.031  -5.396
    2    HA   VAL 622           HA       VAL 622  19.648  12.566  -5.157
    3    HB   VAL 622           HB       VAL 622  22.000  11.864  -6.919
    4   1HG1  VAL 622          3HG1      VAL 622  19.112  10.990  -6.981
    5   2HG1  VAL 622          2HG1      VAL 622  20.350  10.534  -8.154
    6   3HG1  VAL 622          1HG1      VAL 622  20.489  10.008  -6.474
    7   1HG2  VAL 622          3HG2      VAL 622  21.163  14.074  -7.524
    8   2HG2  VAL 622          2HG2      VAL 622  20.754  12.886  -8.762
    9   3HG2  VAL 622          1HG2      VAL 622  19.522  13.435  -7.625
   10    H    SER 623           HN       SER 623  20.456  12.370  -2.815
   11    HA   SER 623           HA       SER 623  22.395  10.480  -2.110
   12   1HB   SER 623           HB2      SER 623  19.778  11.016  -0.679
   13   2HB   SER 623           HB1      SER 623  21.262  10.374   0.029
   14    HG   SER 623           HG       SER 623  20.978  12.632   0.419
   15    H    GLN 624           HN       GLN 624  22.391   8.308  -1.992
   16    HA   GLN 624           HA       GLN 624  20.803   6.897  -3.824
   17   1HB   GLN 624           HB2      GLN 624  22.543   5.817  -1.605
   18   2HB   GLN 624           HB1      GLN 624  21.930   4.887  -2.965
   19   1HG   GLN 624           HG2      GLN 624  23.183   6.389  -4.489
   20   2HG   GLN 624           HG1      GLN 624  23.875   7.182  -3.076
   21   1HE2  GLN 624          1HE2      GLN 624  23.819   4.305  -5.008
   22   2HE2  GLN 624          2HE2      GLN 624  25.228   3.567  -4.327
   23    H    SER 625           HN       SER 625  20.473   7.411  -0.393
   24    HA   SER 625           HA       SER 625  18.723   5.353   0.283
   25   1HB   SER 625           HB2      SER 625  18.696   8.181   1.364
   26   2HB   SER 625           HB1      SER 625  18.072   6.741   2.169
   27    HG   SER 625           HG       SER 625  20.147   5.964   2.386
   28    H    GLN 626           HN       GLN 626  18.132   8.282  -1.522
   29    HA   GLN 626           HA       GLN 626  15.292   8.271  -1.202
   30   1HB   GLN 626           HB2      GLN 626  17.030   9.622  -3.271
   31   2HB   GLN 626           HB1      GLN 626  15.309   9.916  -3.061
   32   1HG   GLN 626           HG2      GLN 626  15.729  10.738  -0.796
   33   2HG   GLN 626           HG1      GLN 626  17.454  10.449  -1.016
   34   1HE2  GLN 626          1HE2      GLN 626  18.618  11.752  -2.417
   35   2HE2  GLN 626          2HE2      GLN 626  18.039  13.299  -2.932
   36    H    ARG 627           HN       ARG 627  17.530   6.711  -3.335
   37    HA   ARG 627           HA       ARG 627  15.676   6.103  -5.421
   38   1HB   ARG 627           HB2      ARG 627  18.331   4.868  -4.692
   39   2HB   ARG 627           HB1      ARG 627  17.400   4.416  -6.109
   40   1HG   ARG 627           HG2      ARG 627  17.599   6.745  -6.927
   41   2HG   ARG 627           HG1      ARG 627  18.633   7.101  -5.538
   42   1HD   ARG 627           HD2      ARG 627  20.182   5.339  -6.255
   43   2HD   ARG 627           HD1      ARG 627  19.158   5.016  -7.650
   44    HE   ARG 627           HE       ARG 627  19.712   7.580  -8.039
   45   1HH1  ARG 627          1HH1      ARG 627  21.762   4.920  -7.087
   46   2HH1  ARG 627          2HH1      ARG 627  23.194   5.570  -7.829
   47   1HH2  ARG 627          1HH2      ARG 627  21.585   8.443  -9.079
   48   2HH2  ARG 627          2HH2      ARG 627  23.090   7.566  -8.976
   49    H    LEU 628           HN       LEU 628  16.294   4.865  -2.321
   50    HA   LEU 628           HA       LEU 628  15.869   2.137  -2.657
   51   1HB   LEU 628           HB2      LEU 628  16.722   3.326  -0.607
   52   2HB   LEU 628           HB1      LEU 628  15.054   3.719  -0.231
   53    HG   LEU 628           HG       LEU 628  14.532   1.304  -0.117
   54   1HD1  LEU 628          1HD1      LEU 628  17.502   0.972  -0.516
   55   2HD1  LEU 628          3HD1      LEU 628  16.379  -0.309  -0.062
   56   3HD1  LEU 628          2HD1      LEU 628  16.235   0.472  -1.637
   57   1HD2  LEU 628          3HD2      LEU 628  15.109   2.535   1.901
   58   2HD2  LEU 628          2HD2      LEU 628  15.694   0.872   1.981
   59   3HD2  LEU 628          1HD2      LEU 628  16.818   2.188   1.634
   60    H    GLU 629           HN       GLU 629  13.530   4.759  -2.457
   61    HA   GLU 629           HA       GLU 629  11.236   3.192  -2.009
   62   1HB   GLU 629           HB2      GLU 629  11.627   5.840  -3.384
   63   2HB   GLU 629           HB1      GLU 629  10.045   5.087  -3.272
   64   1HG   GLU 629           HG2      GLU 629  10.361   5.035  -0.785
   65   2HG   GLU 629           HG1      GLU 629  11.794   6.034  -1.028
   66    H    HIS 630           HN       HIS 630  12.898   4.102  -4.960
   67    HA   HIS 630           HA       HIS 630  11.248   2.961  -6.869
   68   1HB   HIS 630           HB2      HIS 630  12.967   4.287  -7.709
   69   2HB   HIS 630           HB1      HIS 630  14.186   3.537  -6.696
   70    HD1  HIS 630           HD1      HIS 630  12.587   3.329 -10.032
   71    HD2  HIS 630           HD2      HIS 630  15.264   1.127  -7.730
   72    HE1  HIS 630           HE1      HIS 630  13.701   1.730 -11.624
   73    HE2  HIS 630           HE2      HIS 630  15.507   0.621 -10.251
   74    H    ASN 631           HN       ASN 631  13.874   1.438  -4.993
   75    HA   ASN 631           HA       ASN 631  13.529  -1.132  -6.178
   76   1HB   ASN 631           HB2      ASN 631  14.839  -0.269  -3.595
   77   2HB   ASN 631           HB1      ASN 631  14.811  -1.941  -4.144
   78   1HD2  ASN 631          1HD2      ASN 631  15.899  -2.494  -6.067
   79   2HD2  ASN 631          2HD2      ASN 631  17.218  -1.521  -6.638
   80    H    TRP 632           HN       TRP 632  12.272   0.446  -3.314
   81    HA   TRP 632           HA       TRP 632  10.879  -1.725  -2.224
   82   1HB   TRP 632           HB2      TRP 632  10.809   1.218  -1.955
   83   2HB   TRP 632           HB1      TRP 632   9.370   0.347  -1.429
   84    HD1  TRP 632           HD1      TRP 632  12.738   1.352  -0.214
   85    HE1  TRP 632           HE1      TRP 632  13.242   0.175   2.029
   86    HE3  TRP 632           HE3      TRP 632   8.989  -2.096  -0.267
   87    HZ2  TRP 632           HZ2      TRP 632  12.170  -1.946   3.559
   88    HZ3  TRP 632           HZ3      TRP 632   8.792  -3.662   1.611
   89    HH2  TRP 632           HH2      TRP 632  10.342  -3.586   3.475
   90    H    ASN 633           HN       ASN 633   9.998   0.630  -4.685
   91    HA   ASN 633           HA       ASN 633   7.296  -0.010  -4.971
   92   1HB   ASN 633           HB2      ASN 633   9.260   0.907  -7.085
   93   2HB   ASN 633           HB1      ASN 633   7.519   0.839  -7.308
   94   1HD2  ASN 633          1HD2      ASN 633   7.178   1.744  -4.439
   95   2HD2  ASN 633          2HD2      ASN 633   7.436   3.446  -4.515
   96    H    LYS 634           HN       LYS 634  10.157  -1.342  -6.587
   97    HA   LYS 634           HA       LYS 634   8.843  -3.223  -8.190
   98   1HB   LYS 634           HB2      LYS 634  11.609  -3.179  -7.000
   99   2HB   LYS 634           HB1      LYS 634  11.062  -4.484  -8.045
  100   1HG   LYS 634           HG2      LYS 634  10.590  -2.803  -9.806
  101   2HG   LYS 634           HG1      LYS 634  11.303  -1.572  -8.761
  102   1HD   LYS 634           HD2      LYS 634  13.435  -2.602  -8.850
  103   2HD   LYS 634           HD1      LYS 634  12.773  -4.068  -9.579
  104   1HE   LYS 634           HE2      LYS 634  12.839  -1.342 -10.868
  105   2HE   LYS 634           HE1      LYS 634  13.956  -2.662 -11.215
  106   1HZ   LYS 634           HZ3      LYS 634  11.013  -2.726 -11.648
  107   2HZ   LYS 634           HZ2      LYS 634  12.182  -2.541 -12.858
  108   3HZ   LYS 634           HZ1      LYS 634  12.090  -3.990 -11.984
  109    H    PHE 635           HN       PHE 635  10.064  -3.487  -4.877
  110    HA   PHE 635           HA       PHE 635   9.518  -6.211  -4.503
  111   1HB   PHE 635           HB2      PHE 635  10.913  -5.101  -2.916
  112   2HB   PHE 635           HB1      PHE 635   9.663  -3.921  -2.540
  113    HD1  PHE 635           HD1      PHE 635   8.449  -4.211  -0.612
  114    HD2  PHE 635           HD2      PHE 635  10.191  -7.612  -2.481
  115    HE1  PHE 635           HE1      PHE 635   7.687  -5.625   1.251
  116    HE2  PHE 635           HE2      PHE 635   9.430  -9.031  -0.623
  117    HZ   PHE 635           HZ       PHE 635   8.122  -8.028   1.232
  118    H    PHE 636           HN       PHE 636   7.525  -3.395  -3.546
  119    HA   PHE 636           HA       PHE 636   5.443  -5.029  -2.558
  120   1HB   PHE 636           HB2      PHE 636   5.714  -2.098  -3.118
  121   2HB   PHE 636           HB1      PHE 636   4.125  -2.768  -2.757
  122    HD1  PHE 636           HD1      PHE 636   4.649  -4.750  -0.641
  123    HD2  PHE 636           HD2      PHE 636   6.425  -0.940  -1.303
  124    HE1  PHE 636           HE1      PHE 636   5.163  -4.572   1.738
  125    HE2  PHE 636           HE2      PHE 636   6.937  -0.767   1.083
  126    HZ   PHE 636           HZ       PHE 636   6.294  -2.820   2.609
  127    H    ALA 637           HN       ALA 637   6.144  -3.712  -5.708
  128    HA   ALA 637           HA       ALA 637   3.588  -3.988  -6.868
  129   1HB   ALA 637           HB3      ALA 637   6.278  -4.157  -8.220
  130   2HB   ALA 637           HB2      ALA 637   4.729  -3.890  -9.019
  131   3HB   ALA 637           HB1      ALA 637   5.368  -2.681  -7.906
  132    H    SER 638           HN       SER 638   5.961  -6.363  -6.034
  133    HA   SER 638           HA       SER 638   5.308  -8.314  -7.958
  134   1HB   SER 638           HB2      SER 638   6.412  -8.728  -5.176
  135   2HB   SER 638           HB1      SER 638   6.480  -9.883  -6.506
  136    HG   SER 638           HG       SER 638   8.324  -8.257  -5.981
  137    H    PHE 639           HN       PHE 639   3.986  -7.700  -4.705
  138    HA   PHE 639           HA       PHE 639   2.082  -9.875  -5.229
  139   1HB   PHE 639           HB2      PHE 639   1.749  -9.927  -2.735
  140   2HB   PHE 639           HB1      PHE 639   3.314 -10.476  -3.322
  141    HD1  PHE 639           HD1      PHE 639   1.539  -7.783  -1.530
  142    HD2  PHE 639           HD2      PHE 639   5.308  -9.308  -2.803
  143    HE1  PHE 639           HE1      PHE 639   2.680  -6.277   0.036
  144    HE2  PHE 639           HE2      PHE 639   6.449  -7.795  -1.242
  145    HZ   PHE 639           HZ       PHE 639   5.130  -6.286   0.180
  146    H    VAL 640           HN       VAL 640   2.308  -6.492  -4.420
  147    HA   VAL 640           HA       VAL 640  -0.106  -6.054  -3.176
  148    HB   VAL 640           HB       VAL 640   1.644  -4.319  -4.859
  149   1HG1  VAL 640          2HG1      VAL 640  -1.072  -3.478  -3.834
  150   2HG1  VAL 640          1HG1      VAL 640   0.155  -2.398  -4.498
  151   3HG1  VAL 640          3HG1      VAL 640  -0.599  -3.616  -5.527
  152   1HG2  VAL 640          2HG2      VAL 640   2.191  -4.739  -2.525
  153   2HG2  VAL 640          1HG2      VAL 640   1.760  -3.046  -2.769
  154   3HG2  VAL 640          3HG2      VAL 640   0.602  -4.153  -2.034
  155    HA   PRO 641           HA       PRO 641  -2.399  -5.342  -7.377
  156   1HB   PRO 641           HB2      PRO 641  -1.330  -6.598  -9.564
  157   2HB   PRO 641           HB1      PRO 641  -1.066  -4.895  -9.175
  158   1HG   PRO 641           HG2      PRO 641   0.691  -7.255  -8.652
  159   2HG   PRO 641           HG1      PRO 641   1.132  -5.633  -9.218
  160   1HD   PRO 641           HD2      PRO 641   1.483  -6.386  -6.662
  161   2HD   PRO 641           HD1      PRO 641   1.024  -4.726  -7.092
  162    H    ASN 642           HN       ASN 642  -0.663  -8.312  -6.704
  163    HA   ASN 642           HA       ASN 642  -2.634 -10.025  -7.884
  164   1HB   ASN 642           HB2      ASN 642  -0.265 -10.563  -6.105
  165   2HB   ASN 642           HB1      ASN 642  -1.345 -11.838  -6.663
  166   1HD2  ASN 642          1HD2      ASN 642   1.047  -9.497  -7.594
  167   2HD2  ASN 642          2HD2      ASN 642   1.373 -10.155  -9.161
  168    H    LEU 643           HN       LEU 643  -1.937  -8.872  -4.624
  169    HA   LEU 643           HA       LEU 643  -3.853 -10.524  -3.330
  170   1HB   LEU 643           HB2      LEU 643  -2.308  -8.088  -2.577
  171   2HB   LEU 643           HB1      LEU 643  -3.721  -8.468  -1.610
  172    HG   LEU 643           HG       LEU 643  -2.762 -10.688  -1.106
  173   1HD1  LEU 643          2HD1      LEU 643  -0.358  -9.668  -2.607
  174   2HD1  LEU 643          1HD1      LEU 643  -0.407 -11.126  -1.617
  175   3HD1  LEU 643          3HD1      LEU 643  -1.394 -11.017  -3.073
  176   1HD2  LEU 643          3HD2      LEU 643  -2.412  -8.822   0.419
  177   2HD2  LEU 643          2HD2      LEU 643  -1.014  -9.898   0.405
  178   3HD2  LEU 643          1HD2      LEU 643  -0.954  -8.363  -0.462
  179    H    ILE 644           HN       ILE 644  -3.961  -7.114  -4.324
  180    HA   ILE 644           HA       ILE 644  -6.658  -6.717  -3.550
  181    HB   ILE 644           HB       ILE 644  -5.263  -5.083  -5.638
  182   1HG1  ILE 644          2HG1      ILE 644  -5.030  -4.829  -2.637
  183   2HG1  ILE 644          1HG1      ILE 644  -3.752  -5.408  -3.706
  184   1HG2  ILE 644          1HG2      ILE 644  -7.637  -4.615  -5.229
  185   2HG2  ILE 644          3HG2      ILE 644  -7.280  -4.356  -3.519
  186   3HG2  ILE 644          2HG2      ILE 644  -6.609  -3.269  -4.736
  187   1HD1  ILE 644          3HD1      ILE 644  -3.682  -3.238  -4.812
  188   2HD1  ILE 644          2HD1      ILE 644  -4.950  -2.653  -3.737
  189   3HD1  ILE 644          1HD1      ILE 644  -3.376  -3.101  -3.081
  190    H    LYS 645           HN       LYS 645  -5.186  -7.991  -6.393
  191    HA   LYS 645           HA       LYS 645  -6.979  -7.715  -8.416
  192   1HB   LYS 645           HB2      LYS 645  -5.005  -8.993  -8.762
  193   2HB   LYS 645           HB1      LYS 645  -5.437 -10.137  -7.502
  194   1HG   LYS 645           HG2      LYS 645  -7.321 -10.905  -8.918
  195   2HG   LYS 645           HG1      LYS 645  -6.740  -9.837 -10.198
  196   1HD   LYS 645           HD2      LYS 645  -5.975 -12.179 -10.465
  197   2HD   LYS 645           HD1      LYS 645  -4.644 -11.031 -10.300
  198   1HE   LYS 645           HE2      LYS 645  -4.405 -11.624  -7.947
  199   2HE   LYS 645           HE1      LYS 645  -5.769 -12.734  -8.077
  200   1HZ   LYS 645           HZ2      LYS 645  -3.435 -13.075  -9.842
  201   2HZ   LYS 645           HZ1      LYS 645  -3.372 -13.643  -8.240
  202   3HZ   LYS 645           HZ3      LYS 645  -4.554 -14.229  -9.306
  203    H    LYS 646           HN       LYS 646  -7.235  -9.956  -5.688
  204    HA   LYS 646           HA       LYS 646 -10.072  -9.760  -5.681
  205   1HB   LYS 646           HB2      LYS 646  -9.635 -11.443  -7.535
  206   2HB   LYS 646           HB1      LYS 646  -8.993 -12.515  -6.298
  207   1HG   LYS 646           HG2      LYS 646 -11.318 -13.036  -6.850
  208   2HG   LYS 646           HG1      LYS 646 -11.139 -12.540  -5.168
  209   1HD   LYS 646           HD2      LYS 646 -13.120 -11.532  -6.235
  210   2HD   LYS 646           HD1      LYS 646 -11.956 -10.317  -5.704
  211   1HE   LYS 646           HE2      LYS 646 -11.091 -10.156  -7.991
  212   2HE   LYS 646           HE1      LYS 646 -12.271 -11.355  -8.517
  213   1HZ   LYS 646           HZ1      LYS 646 -13.028  -8.767  -7.273
  214   2HZ   LYS 646           HZ3      LYS 646 -12.885  -8.991  -8.947
  215   3HZ   LYS 646           HZ2      LYS 646 -14.043  -9.867  -8.071
  216    H    ASN 647           HN       ASN 647  -9.571  -9.041  -3.611
  217    HA   ASN 647           HA       ASN 647  -8.889 -11.214  -1.714
  218   1HB   ASN 647           HB2      ASN 647  -6.969  -9.656  -2.102
  219   2HB   ASN 647           HB1      ASN 647  -7.985  -8.312  -1.615
  220   1HD2  ASN 647          1HD2      ASN 647  -6.280 -11.156  -0.545
  221   2HD2  ASN 647          2HD2      ASN 647  -6.234 -10.724   1.131
  222    HA   PRO 648           HA       PRO 648 -12.500  -9.768   0.710
  223   1HB   PRO 648           HB2      PRO 648 -10.922  -8.698   2.888
  224   2HB   PRO 648           HB1      PRO 648 -11.986 -10.104   2.882
  225   1HG   PRO 648           HG2      PRO 648  -9.074  -9.978   2.634
  226   2HG   PRO 648           HG1      PRO 648 -10.110 -11.364   3.013
  227   1HD   PRO 648           HD2      PRO 648  -8.771 -11.097   0.658
  228   2HD   PRO 648           HD1      PRO 648 -10.311 -11.969   0.804
  229    H    GLN 649           HN       GLN 649  -9.612  -7.700   0.343
  230    HA   GLN 649           HA       GLN 649 -10.976  -5.240   0.654
  231   1HB   GLN 649           HB2      GLN 649  -9.101  -4.306  -0.724
  232   2HB   GLN 649           HB1      GLN 649  -8.595  -5.209   0.694
  233   1HG   GLN 649           HG2      GLN 649  -8.221  -7.176  -0.802
  234   2HG   GLN 649           HG1      GLN 649  -8.526  -6.109  -2.170
  235   1HE2  GLN 649          1HE2      GLN 649  -7.245  -3.826  -0.918
  236   2HE2  GLN 649          2HE2      GLN 649  -5.547  -4.129  -0.989
  237    H    SER 650           HN       SER 650 -10.228  -7.193  -2.189
  238    HA   SER 650           HA       SER 650 -11.180  -5.394  -4.103
  239   1HB   SER 650           HB2      SER 650  -9.689  -7.066  -4.810
  240   2HB   SER 650           HB1      SER 650 -10.660  -8.353  -4.103
  241    HG   SER 650           HG       SER 650 -10.957  -6.991  -6.522
  242    H    LYS 651           HN       LYS 651 -12.792  -7.944  -2.299
  243    HA   LYS 651           HA       LYS 651 -15.184  -7.999  -3.809
  244   1HB   LYS 651           HB2      LYS 651 -14.631  -9.809  -2.300
  245   2HB   LYS 651           HB1      LYS 651 -14.615  -8.716  -0.925
  246   1HG   LYS 651           HG2      LYS 651 -16.627 -10.073  -0.948
  247   2HG   LYS 651           HG1      LYS 651 -17.015  -8.366  -1.162
  248   1HD   LYS 651           HD2      LYS 651 -17.237  -8.726  -3.576
  249   2HD   LYS 651           HD1      LYS 651 -16.850 -10.434  -3.355
  250   1HE   LYS 651           HE2      LYS 651 -18.833 -10.748  -2.010
  251   2HE   LYS 651           HE1      LYS 651 -19.197  -9.025  -2.088
  252   1HZ   LYS 651           HZ3      LYS 651 -19.093 -10.836  -4.439
  253   2HZ   LYS 651           HZ2      LYS 651 -20.518 -10.360  -3.656
  254   3HZ   LYS 651           HZ1      LYS 651 -19.555  -9.206  -4.444
  255    H    GLN 652           HN       GLN 652 -13.934  -5.787  -1.477
  256    HA   GLN 652           HA       GLN 652 -16.598  -4.614  -1.045
  257   1HB   GLN 652           HB2      GLN 652 -14.084  -4.220   0.582
  258   2HB   GLN 652           HB1      GLN 652 -15.716  -3.717   1.011
  259   1HG   GLN 652           HG2      GLN 652 -14.968  -6.588   0.579
  260   2HG   GLN 652           HG1      GLN 652 -14.820  -5.789   2.138
  261   1HE2  GLN 652          1HE2      GLN 652 -17.163  -4.161   1.831
  262   2HE2  GLN 652          2HE2      GLN 652 -18.534  -5.206   1.994
  263    H    PHE 653           HN       PHE 653 -13.498  -4.182  -2.421
  264    HA   PHE 653           HA       PHE 653 -13.339  -1.340  -2.244
  265   1HB   PHE 653           HB2      PHE 653 -11.840  -3.526  -3.481
  266   2HB   PHE 653           HB1      PHE 653 -11.789  -2.022  -4.386
  267    HD1  PHE 653           HD1      PHE 653 -11.968  -0.215  -1.888
  268    HD2  PHE 653           HD2      PHE 653  -9.541  -3.561  -2.895
  269    HE1  PHE 653           HE1      PHE 653 -10.171   0.650  -0.444
  270    HE2  PHE 653           HE2      PHE 653  -7.752  -2.707  -1.458
  271    HZ   PHE 653           HZ       PHE 653  -8.062  -0.606  -0.248
  272    H    ASP 654           HN       ASP 654 -14.035   0.205  -3.545
  273    HA   ASP 654           HA       ASP 654 -15.619  -0.456  -5.863
  274   1HB   ASP 654           HB2      ASP 654 -16.261   1.412  -4.360
  275   2HB   ASP 654           HB1      ASP 654 -14.775   2.251  -4.793
  276    H    HIS 655           HN       HIS 655 -15.010   1.138  -7.848
  277    HA   HIS 655           HA       HIS 655 -12.778  -0.289  -8.893
  278   1HB   HIS 655           HB2      HIS 655 -14.307   2.034 -10.083
  279   2HB   HIS 655           HB1      HIS 655 -13.170   1.015 -10.957
  280    HD1  HIS 655           HD1      HIS 655 -16.678   1.359 -10.265
  281    HD2  HIS 655           HD2      HIS 655 -14.084  -1.826 -10.933
  282    HE1  HIS 655           HE1      HIS 655 -18.141  -0.597 -10.873
  283    HE2  HIS 655           HE2      HIS 655 -16.548  -2.480 -11.389
  284    H    GLU 656           HN       GLU 656 -13.270   3.159  -8.226
  285    HA   GLU 656           HA       GLU 656 -10.628   3.915  -8.898
  286   1HB   GLU 656           HB2      GLU 656 -11.253   5.994  -7.499
  287   2HB   GLU 656           HB1      GLU 656 -12.146   5.670  -8.979
  288   1HG   GLU 656           HG2      GLU 656 -13.893   4.561  -7.572
  289   2HG   GLU 656           HG1      GLU 656 -13.035   5.167  -6.154
  290    H    ASN 657           HN       ASN 657 -12.108   2.699  -6.010
  291    HA   ASN 657           HA       ASN 657 -10.262   3.525  -4.067
  292   1HB   ASN 657           HB2      ASN 657 -11.864   0.958  -4.210
  293   2HB   ASN 657           HB1      ASN 657 -11.044   1.552  -2.779
  294   1HD2  ASN 657          1HD2      ASN 657 -12.958   1.507  -1.660
  295   2HD2  ASN 657          2HD2      ASN 657 -14.195   2.685  -1.891
  296    H    ILE 658           HN       ILE 658 -10.437   0.672  -6.118
  297    HA   ILE 658           HA       ILE 658  -8.149  -0.588  -4.986
  298    HB   ILE 658           HB       ILE 658  -9.957  -1.148  -7.278
  299   1HG1  ILE 658          2HG1      ILE 658  -8.902  -2.651  -4.877
  300   2HG1  ILE 658          1HG1      ILE 658 -10.542  -2.075  -5.151
  301   1HG2  ILE 658          3HG2      ILE 658  -7.250  -2.468  -6.999
  302   2HG2  ILE 658          2HG2      ILE 658  -8.549  -3.009  -8.062
  303   3HG2  ILE 658          1HG2      ILE 658  -7.780  -1.446  -8.338
  304   1HD1  ILE 658          3HD1      ILE 658  -9.188  -4.276  -6.689
  305   2HD1  ILE 658          2HD1      ILE 658 -10.391  -4.476  -5.415
  306   3HD1  ILE 658          1HD1      ILE 658 -10.835  -3.697  -6.935
  307    H    LYS 659           HN       LYS 659  -8.646   1.453  -7.817
  308    HA   LYS 659           HA       LYS 659  -6.117   1.165  -9.000
  309   1HB   LYS 659           HB2      LYS 659  -8.206   2.339  -9.908
  310   2HB   LYS 659           HB1      LYS 659  -7.725   3.724  -8.940
  311   1HG   LYS 659           HG2      LYS 659  -6.986   4.082 -11.174
  312   2HG   LYS 659           HG1      LYS 659  -5.564   3.751 -10.178
  313   1HD   LYS 659           HD2      LYS 659  -5.377   1.545 -11.013
  314   2HD   LYS 659           HD1      LYS 659  -6.976   1.613 -11.757
  315   1HE   LYS 659           HE2      LYS 659  -6.158   3.348 -13.300
  316   2HE   LYS 659           HE1      LYS 659  -4.556   3.219 -12.572
  317   1HZ   LYS 659           HZ2      LYS 659  -5.950   0.920 -13.829
  318   2HZ   LYS 659           HZ1      LYS 659  -4.885   1.936 -14.675
  319   3HZ   LYS 659           HZ3      LYS 659  -4.323   1.027 -13.366
  320    H    GLN 660           HN       GLN 660  -7.334   3.544  -6.671
  321    HA   GLN 660           HA       GLN 660  -4.880   4.886  -6.283
  322   1HB   GLN 660           HB2      GLN 660  -7.307   4.684  -4.492
  323   2HB   GLN 660           HB1      GLN 660  -5.964   5.786  -4.228
  324   1HG   GLN 660           HG2      GLN 660  -6.440   6.903  -6.330
  325   2HG   GLN 660           HG1      GLN 660  -7.756   5.775  -6.647
  326   1HE2  GLN 660          1HE2      GLN 660  -7.072   7.040  -3.471
  327   2HE2  GLN 660          2HE2      GLN 660  -8.480   8.031  -3.346
  328    H    CYS 661           HN       CYS 661  -6.462   2.215  -4.606
  329    HA   CYS 661           HA       CYS 661  -4.797   1.993  -2.402
  330   1HB   CYS 661           HB2      CYS 661  -6.851   0.732  -2.565
  331   2HB   CYS 661           HB1      CYS 661  -6.234  -0.177  -3.941
  332    HG   CYS 661           HG       CYS 661  -4.122  -0.586  -1.504
  333    H    ALA 662           HN       ALA 662  -4.483   0.309  -5.543
  334    HA   ALA 662           HA       ALA 662  -2.179  -1.124  -4.975
  335   1HB   ALA 662           HB1      ALA 662  -2.947   0.068  -7.635
  336   2HB   ALA 662           HB2      ALA 662  -3.556  -1.452  -6.978
  337   3HB   ALA 662           HB3      ALA 662  -1.845  -1.283  -7.370
  338    H    LYS 663           HN       LYS 663  -2.371   2.089  -6.561
  339    HA   LYS 663           HA       LYS 663   0.417   2.466  -6.739
  340   1HB   LYS 663           HB2      LYS 663  -1.811   4.492  -6.540
  341   2HB   LYS 663           HB1      LYS 663  -0.140   4.912  -6.873
  342   1HG   LYS 663           HG2      LYS 663  -0.248   3.509  -8.914
  343   2HG   LYS 663           HG1      LYS 663  -1.967   3.258  -8.597
  344   1HD   LYS 663           HD2      LYS 663  -2.365   5.648  -8.728
  345   2HD   LYS 663           HD1      LYS 663  -0.643   5.944  -8.962
  346   1HE   LYS 663           HE2      LYS 663  -0.748   4.640 -11.060
  347   2HE   LYS 663           HE1      LYS 663  -2.488   4.463 -10.830
  348   1HZ   LYS 663           HZ2      LYS 663  -2.693   6.882 -10.897
  349   2HZ   LYS 663           HZ1      LYS 663  -1.027   7.032 -11.157
  350   3HZ   LYS 663           HZ3      LYS 663  -2.002   6.288 -12.326
  351    H    ASP 664           HN       ASP 664  -1.905   3.336  -4.259
  352    HA   ASP 664           HA       ASP 664  -0.173   5.007  -2.777
  353   1HB   ASP 664           HB2      ASP 664  -2.648   5.149  -2.763
  354   2HB   ASP 664           HB1      ASP 664  -2.703   3.630  -1.878
  355    H    ILE 665           HN       ILE 665  -1.256   1.637  -2.238
  356    HA   ILE 665           HA       ILE 665   0.093   1.342   0.212
  357    HB   ILE 665           HB       ILE 665  -1.652  -0.229  -0.504
  358   1HG1  ILE 665          2HG1      ILE 665   0.923  -1.783  -0.085
  359   2HG1  ILE 665          1HG1      ILE 665   0.140  -0.858   1.201
  360   1HG2  ILE 665          2HG2      ILE 665   0.408  -1.233  -2.450
  361   2HG2  ILE 665          1HG2      ILE 665  -1.130  -2.018  -2.094
  362   3HG2  ILE 665          3HG2      ILE 665  -1.109  -0.422  -2.845
  363   1HD1  ILE 665          2HD1      ILE 665  -1.136  -3.101  -0.347
  364   2HD1  ILE 665          1HD1      ILE 665  -0.426  -3.237   1.264
  365   3HD1  ILE 665          3HD1      ILE 665  -1.844  -2.220   1.007
  366    H    VAL 666           HN       VAL 666   1.214   0.876  -3.122
  367    HA   VAL 666           HA       VAL 666   3.615  -0.417  -2.514
  368    HB   VAL 666           HB       VAL 666   2.899   1.401  -4.815
  369   1HG1  VAL 666          1HG1      VAL 666   5.344  -0.330  -4.472
  370   2HG1  VAL 666          3HG1      VAL 666   4.870   0.485  -5.962
  371   3HG1  VAL 666          2HG1      VAL 666   5.309   1.431  -4.543
  372   1HG2  VAL 666          3HG2      VAL 666   3.110  -1.599  -4.563
  373   2HG2  VAL 666          2HG2      VAL 666   1.622  -0.662  -4.709
  374   3HG2  VAL 666          1HG2      VAL 666   2.762  -0.722  -6.054
  375    H    LYS 667           HN       LYS 667   2.995   3.099  -2.949
  376    HA   LYS 667           HA       LYS 667   5.686   3.738  -2.153
  377   1HB   LYS 667           HB2      LYS 667   4.632   5.242  -3.686
  378   2HB   LYS 667           HB1      LYS 667   3.268   5.484  -2.602
  379   1HG   LYS 667           HG2      LYS 667   4.594   6.719  -1.065
  380   2HG   LYS 667           HG1      LYS 667   6.084   6.276  -1.897
  381   1HD   LYS 667           HD2      LYS 667   3.906   7.831  -3.260
  382   2HD   LYS 667           HD1      LYS 667   5.155   8.625  -2.297
  383   1HE   LYS 667           HE2      LYS 667   5.717   6.764  -4.601
  384   2HE   LYS 667           HE1      LYS 667   5.636   8.518  -4.747
  385   1HZ   LYS 667           HZ3      LYS 667   7.534   7.041  -2.994
  386   2HZ   LYS 667           HZ2      LYS 667   7.915   7.723  -4.496
  387   3HZ   LYS 667           HZ1      LYS 667   7.472   8.718  -3.204
  388    H    ILE 668           HN       ILE 668   2.534   3.882  -0.528
  389    HA   ILE 668           HA       ILE 668   3.527   5.387   1.668
  390    HB   ILE 668           HB       ILE 668   0.926   4.089   1.034
  391   1HG1  ILE 668          2HG1      ILE 668   0.091   6.359   1.531
  392   2HG1  ILE 668          1HG1      ILE 668   1.715   6.847   2.001
  393   1HG2  ILE 668          2HG2      ILE 668   1.641   5.035   3.806
  394   2HG2  ILE 668          1HG2      ILE 668   0.020   4.626   3.247
  395   3HG2  ILE 668          3HG2      ILE 668   1.263   3.379   3.334
  396   1HD1  ILE 668          3HD1      ILE 668   2.485   6.459  -0.281
  397   2HD1  ILE 668          2HD1      ILE 668   0.854   5.976  -0.747
  398   3HD1  ILE 668          1HD1      ILE 668   1.170   7.631  -0.223
  399    H    LEU 669           HN       LEU 669   2.979   1.897   1.202
  400    HA   LEU 669           HA       LEU 669   3.293   1.194   3.913
  401   1HB   LEU 669           HB2      LEU 669   2.605  -0.217   1.741
  402   2HB   LEU 669           HB1      LEU 669   4.283  -0.706   1.855
  403    HG   LEU 669           HG       LEU 669   2.304  -0.983   4.121
  404   1HD1  LEU 669          3HD1      LEU 669   3.201  -3.018   2.086
  405   2HD1  LEU 669          2HD1      LEU 669   2.260  -3.374   3.534
  406   3HD1  LEU 669          1HD1      LEU 669   1.576  -2.355   2.268
  407   1HD2  LEU 669          2HD2      LEU 669   4.696  -0.888   4.765
  408   2HD2  LEU 669          1HD2      LEU 669   3.949  -2.448   5.110
  409   3HD2  LEU 669          3HD2      LEU 669   5.005  -2.267   3.713
  410    H    THR 670           HN       THR 670   5.682   1.342   1.266
  411    HA   THR 670           HA       THR 670   7.877   0.680   2.905
  412    HB   THR 670           HB       THR 670   8.314   0.470   0.612
  413    HG1  THR 670           HG1      THR 670  10.153   1.237   1.509
  414   1HG2  THR 670          2HG2      THR 670   7.529   3.364   0.260
  415   2HG2  THR 670          1HG2      THR 670   8.193   2.323  -1.000
  416   3HG2  THR 670          3HG2      THR 670   6.617   1.960  -0.295
  417    H    THR 671           HN       THR 671   6.340   3.774   2.149
  418    HA   THR 671           HA       THR 671   8.296   5.442   3.256
  419    HB   THR 671           HB       THR 671   5.306   5.918   3.224
  420    HG1  THR 671           HG1      THR 671   6.259   5.510   1.128
  421   1HG2  THR 671          1HG2      THR 671   6.498   7.456   4.713
  422   2HG2  THR 671          3HG2      THR 671   7.609   7.870   3.405
  423   3HG2  THR 671          2HG2      THR 671   5.902   8.296   3.283
  424    H    LYS 672           HN       LYS 672   5.727   3.572   4.766
  425    HA   LYS 672           HA       LYS 672   5.835   4.839   7.308
  426   1HB   LYS 672           HB2      LYS 672   4.855   2.116   6.443
  427   2HB   LYS 672           HB1      LYS 672   4.698   2.721   8.085
  428   1HG   LYS 672           HG2      LYS 672   3.263   4.498   7.348
  429   2HG   LYS 672           HG1      LYS 672   3.518   4.053   5.659
  430   1HD   LYS 672           HD2      LYS 672   1.358   3.241   6.575
  431   2HD   LYS 672           HD1      LYS 672   2.402   1.943   5.997
  432   1HE   LYS 672           HE2      LYS 672   1.387   1.317   8.105
  433   2HE   LYS 672           HE1      LYS 672   3.127   1.516   8.300
  434   1HZ   LYS 672           HZ3      LYS 672   2.728   3.713   9.251
  435   2HZ   LYS 672           HZ2      LYS 672   1.053   3.501   9.070
  436   3HZ   LYS 672           HZ1      LYS 672   1.923   2.506  10.131
  437    H    GLU 673           HN       GLU 673   7.201   1.802   6.046
  438    HA   GLU 673           HA       GLU 673   8.614   1.324   8.470
  439   1HB   GLU 673           HB2      GLU 673   9.706  -0.539   7.213
  440   2HB   GLU 673           HB1      GLU 673   7.958  -0.604   7.311
  441   1HG   GLU 673           HG2      GLU 673   7.877   0.310   4.966
  442   2HG   GLU 673           HG1      GLU 673   9.636   0.114   4.920
  443    H    LEU 674           HN       LEU 674   9.355   3.018   5.548
  444    HA   LEU 674           HA       LEU 674  12.195   3.132   6.017
  445   1HB   LEU 674           HB2      LEU 674  10.916   3.423   3.773
  446   2HB   LEU 674           HB1      LEU 674  10.671   5.074   4.313
  447    HG   LEU 674           HG       LEU 674  13.137   5.343   4.480
  448   1HD1  LEU 674          3HD1      LEU 674  13.724   2.987   4.743
  449   2HD1  LEU 674          2HD1      LEU 674  13.178   2.665   3.096
  450   3HD1  LEU 674          1HD1      LEU 674  14.568   3.714   3.376
  451   1HD2  LEU 674          1HD2      LEU 674  11.904   6.121   2.523
  452   2HD2  LEU 674          3HD2      LEU 674  13.501   5.528   2.073
  453   3HD2  LEU 674          2HD2      LEU 674  12.076   4.534   1.775
  454    H    LYS 675           HN       LYS 675   9.397   5.032   6.904
  455    HA   LYS 675           HA       LYS 675  10.862   7.286   7.838
  456   1HB   LYS 675           HB2      LYS 675   8.375   7.225   7.370
  457   2HB   LYS 675           HB1      LYS 675   8.188   6.330   8.871
  458   1HG   LYS 675           HG2      LYS 675   9.081   8.196  10.133
  459   2HG   LYS 675           HG1      LYS 675   9.378   9.087   8.640
  460   1HD   LYS 675           HD2      LYS 675   7.348   9.907   9.629
  461   2HD   LYS 675           HD1      LYS 675   6.937   9.001   8.171
  462   1HE   LYS 675           HE2      LYS 675   6.436   7.034   9.587
  463   2HE   LYS 675           HE1      LYS 675   6.740   8.022  11.017
  464   1HZ   LYS 675           HZ1      LYS 675   4.946   9.518  10.248
  465   2HZ   LYS 675           HZ3      LYS 675   4.604   8.425   8.993
  466   3HZ   LYS 675           HZ2      LYS 675   4.406   7.953  10.608
  467    H    LYS 676           HN       LYS 676   9.934   4.199   9.154
  468    HA   LYS 676           HA       LYS 676  10.934   4.748  11.795
  469   1HB   LYS 676           HB2      LYS 676   9.181   3.055  11.351
  470   2HB   LYS 676           HB1      LYS 676  10.349   2.097  10.456
  471   1HG   LYS 676           HG2      LYS 676  10.006   1.232  12.706
  472   2HG   LYS 676           HG1      LYS 676  11.666   1.776  12.470
  473   1HD   LYS 676           HD2      LYS 676  10.782   2.451  14.657
  474   2HD   LYS 676           HD1      LYS 676  11.183   3.844  13.651
  475   1HE   LYS 676           HE2      LYS 676   8.826   4.105  13.065
  476   2HE   LYS 676           HE1      LYS 676   8.421   2.693  14.042
  477   1HZ   LYS 676           HZ3      LYS 676   9.695   5.147  15.126
  478   2HZ   LYS 676           HZ2      LYS 676   8.024   4.848  15.167
  479   3HZ   LYS 676           HZ1      LYS 676   9.088   3.831  16.009
  480    H    ASP 677           HN       ASP 677  12.064   2.730   9.089
  481    HA   ASP 677           HA       ASP 677  14.833   3.133  10.033
  482   1HB   ASP 677           HB2      ASP 677  13.737   0.824   8.404
  483   2HB   ASP 677           HB1      ASP 677  15.404   1.014   8.926
  484    H    SER 678           HN       SER 678  15.487   4.849   8.794
  485    HA   SER 678           HA       SER 678  14.442   5.293   6.179
  486   1HB   SER 678           HB2      SER 678  16.072   7.198   6.152
  487   2HB   SER 678           HB1      SER 678  14.973   7.197   7.527
  488    HG   SER 678           HG       SER 678  16.587   6.542   8.852
  489    H    SER 679           HN       SER 679  16.841   3.289   7.281
  490    HA   SER 679           HA       SER 679  17.914   3.046   4.555
  491   1HB   SER 679           HB2      SER 679  19.417   2.553   7.144
  492   2HB   SER 679           HB1      SER 679  20.053   2.280   5.521
  493    HG   SER 679           HG       SER 679  19.079   4.802   6.367
  494    H    ARG 680           HN       ARG 680  15.696   1.808   5.010
  495    HA   ARG 680           HA       ARG 680  16.252  -0.878   6.038
  496   1HB   ARG 680           HB2      ARG 680  14.372   0.395   7.023
  497   2HB   ARG 680           HB1      ARG 680  13.621   0.472   5.437
  498   1HG   ARG 680           HG2      ARG 680  13.318  -1.907   5.405
  499   2HG   ARG 680           HG1      ARG 680  14.216  -2.075   6.919
  500   1HD   ARG 680           HD2      ARG 680  12.537  -0.772   8.086
  501   2HD   ARG 680           HD1      ARG 680  11.657  -0.521   6.580
  502    HE   ARG 680           HE       ARG 680  11.576  -3.121   6.649
  503   1HH1  ARG 680          1HH1      ARG 680  11.317  -0.935   9.368
  504   2HH1  ARG 680          2HH1      ARG 680  10.211  -1.945  10.246
  505   1HH2  ARG 680          1HH2      ARG 680  10.137  -4.472   7.808
  506   2HH2  ARG 680          2HH2      ARG 680   9.577  -3.982   9.385
  507    H    ALA 681           HN       ALA 681  17.043  -2.070   4.429
  508    HA   ALA 681           HA       ALA 681  16.283  -1.815   1.696
  509   1HB   ALA 681           HB1      ALA 681  17.641  -4.121   3.094
  510   2HB   ALA 681           HB3      ALA 681  17.562  -3.863   1.351
  511   3HB   ALA 681           HB2      ALA 681  18.452  -2.731   2.370
  512    HA   PRO 682           HA       PRO 682  12.453  -3.985   1.709
  513   1HB   PRO 682           HB2      PRO 682  13.040  -4.804  -1.049
  514   2HB   PRO 682           HB1      PRO 682  11.773  -3.733  -0.448
  515   1HG   PRO 682           HG2      PRO 682  13.882  -2.826  -1.865
  516   2HG   PRO 682           HG1      PRO 682  13.095  -1.862  -0.602
  517   1HD   PRO 682           HD2      PRO 682  15.657  -3.399  -0.500
  518   2HD   PRO 682           HD1      PRO 682  15.251  -1.826   0.218
  519    HA   PRO 683           HA       PRO 683  13.473  -8.338   2.355
  520   1HB   PRO 683           HB2      PRO 683  10.589  -8.626   1.670
  521   2HB   PRO 683           HB1      PRO 683  11.494  -9.295   3.033
  522   1HG   PRO 683           HG2      PRO 683   9.851  -7.233   3.375
  523   2HG   PRO 683           HG1      PRO 683  11.395  -7.331   4.234
  524   1HD   PRO 683           HD2      PRO 683  10.627  -5.633   1.900
  525   2HD   PRO 683           HD1      PRO 683  11.719  -5.270   3.255
  526    H    ASP 684           HN       ASP 684  13.283 -10.332   1.048
  527    HA   ASP 684           HA       ASP 684  13.761  -9.837  -1.691
  528   1HB   ASP 684           HB2      ASP 684  14.746 -11.767  -0.662
  529   2HB   ASP 684           HB1      ASP 684  13.165 -12.393  -0.190
  530    H    ASP 685           HN       ASP 685  11.070 -11.574  -0.155
  531    HA   ASP 685           HA       ASP 685   9.203 -10.400  -2.046
  532   1HB   ASP 685           HB2      ASP 685  10.211 -12.653  -2.952
  533   2HB   ASP 685           HB1      ASP 685   9.128 -13.376  -1.769
  534    H    LEU 686           HN       LEU 686   6.997 -11.598  -1.569
  535    HA   LEU 686           HA       LEU 686   6.330 -10.777   1.083
  536   1HB   LEU 686           HB2      LEU 686   4.979 -10.633  -1.095
  537   2HB   LEU 686           HB1      LEU 686   4.637 -12.333  -0.867
  538    HG   LEU 686           HG       LEU 686   2.877 -10.637  -0.125
  539   1HD1  LEU 686          2HD1      LEU 686   3.884 -12.745   1.759
  540   2HD1  LEU 686          1HD1      LEU 686   2.280 -12.007   1.816
  541   3HD1  LEU 686          3HD1      LEU 686   2.759 -12.974   0.420
  542   1HD2  LEU 686          3HD2      LEU 686   4.408  -9.116   1.039
  543   2HD2  LEU 686          2HD2      LEU 686   3.152  -9.727   2.115
  544   3HD2  LEU 686          1HD2      LEU 686   4.782 -10.391   2.200
  545    H    THR 687           HN       THR 687   7.436 -12.067   2.511
  546    HA   THR 687           HA       THR 687   7.077 -14.946   2.472
  547    HB   THR 687           HB       THR 687   8.448 -14.854   4.581
  548    HG1  THR 687           HG1      THR 687   9.515 -12.476   4.423
  549   1HG2  THR 687          3HG2      THR 687   9.633 -13.478   2.161
  550   2HG2  THR 687          2HG2      THR 687  10.550 -14.248   3.458
  551   3HG2  THR 687          1HG2      THR 687   9.517 -15.221   2.410
  552    H    LYS 688           HN       LYS 688   6.516 -15.884   4.817
  553    HA   LYS 688           HA       LYS 688   3.834 -15.176   5.264
  554   1HB   LYS 688           HB2      LYS 688   3.924 -16.678   7.219
  555   2HB   LYS 688           HB1      LYS 688   4.610 -17.409   5.777
  556   1HG   LYS 688           HG2      LYS 688   6.853 -16.992   6.610
  557   2HG   LYS 688           HG1      LYS 688   6.186 -16.194   8.039
  558   1HD   LYS 688           HD2      LYS 688   5.720 -19.075   7.258
  559   2HD   LYS 688           HD1      LYS 688   6.843 -18.521   8.503
  560   1HE   LYS 688           HE2      LYS 688   5.021 -17.629   9.808
  561   2HE   LYS 688           HE1      LYS 688   3.869 -18.013   8.531
  562   1HZ   LYS 688           HZ2      LYS 688   5.451 -20.004  10.075
  563   2HZ   LYS 688           HZ1      LYS 688   3.811 -19.641  10.324
  564   3HZ   LYS 688           HZ3      LYS 688   4.312 -20.357   8.870
  565    H    GLY 689           HN       GLY 689   6.796 -14.213   6.935
  566   1HA   GLY 689           HA1      GLY 689   7.179 -12.612   8.533
  567   2HA   GLY 689           HA2      GLY 689   5.539 -12.897   9.104
  568    H    LYS 690           HN       LYS 690   6.901 -11.617   6.071
  569    HA   LYS 690           HA       LYS 690   6.057  -8.954   6.508
  570   1HB   LYS 690           HB2      LYS 690   7.837  -9.660   4.891
  571   2HB   LYS 690           HB1      LYS 690   6.577 -10.312   3.853
  572   1HG   LYS 690           HG2      LYS 690   7.264  -8.155   3.042
  573   2HG   LYS 690           HG1      LYS 690   5.609  -8.053   3.649
  574   1HD   LYS 690           HD2      LYS 690   6.416  -7.062   5.725
  575   2HD   LYS 690           HD1      LYS 690   8.083  -7.220   5.170
  576   1HE   LYS 690           HE2      LYS 690   7.591  -5.710   3.298
  577   2HE   LYS 690           HE1      LYS 690   5.935  -5.537   3.880
  578   1HZ   LYS 690           HZ3      LYS 690   8.371  -4.758   5.394
  579   2HZ   LYS 690           HZ2      LYS 690   7.362  -3.678   4.560
  580   3HZ   LYS 690           HZ1      LYS 690   6.770  -4.536   5.901
  581    H    ARG 691           HN       ARG 691   4.567 -11.749   5.024
  582    HA   ARG 691           HA       ARG 691   2.371 -10.600   3.763
  583   1HB   ARG 691           HB2      ARG 691   3.013 -12.961   3.576
  584   2HB   ARG 691           HB1      ARG 691   2.548 -13.227   5.238
  585   1HG   ARG 691           HG2      ARG 691   0.222 -12.770   4.683
  586   2HG   ARG 691           HG1      ARG 691   0.684 -12.429   3.011
  587   1HD   ARG 691           HD2      ARG 691   1.639 -14.747   2.908
  588   2HD   ARG 691           HD1      ARG 691   0.907 -15.050   4.480
  589    HE   ARG 691           HE       ARG 691  -1.173 -14.189   2.931
  590   1HH1  ARG 691          1HH1      ARG 691   1.235 -16.713   2.658
  591   2HH1  ARG 691          2HH1      ARG 691   0.216 -17.788   1.758
  592   1HH2  ARG 691          1HH2      ARG 691  -2.541 -15.605   1.721
  593   2HH2  ARG 691          2HH2      ARG 691  -1.931 -17.161   1.227
  594    H    HIS 692           HN       HIS 692   2.716 -11.715   7.107
  595    HA   HIS 692           HA       HIS 692   0.122 -11.097   7.970
  596   1HB   HIS 692           HB2      HIS 692   1.885 -12.458   9.193
  597   2HB   HIS 692           HB1      HIS 692   2.615 -10.930   9.673
  598    HD1  HIS 692           HD1      HIS 692   1.275  -9.469  11.407
  599    HD2  HIS 692           HD2      HIS 692  -0.388 -13.193  10.572
  600    HE1  HIS 692           HE1      HIS 692  -0.419  -9.883  13.217
  601    HE2  HIS 692           HE2      HIS 692  -1.206 -12.245  12.830
  602    H    LYS 693           HN       LYS 693   3.076  -9.172   7.850
  603    HA   LYS 693           HA       LYS 693   2.011  -6.926   9.216
  604   1HB   LYS 693           HB2      LYS 693   4.425  -7.224   7.428
  605   2HB   LYS 693           HB1      LYS 693   4.035  -5.749   8.304
  606   1HG   LYS 693           HG2      LYS 693   4.186  -6.971  10.421
  607   2HG   LYS 693           HG1      LYS 693   4.601  -8.440   9.536
  608   1HD   LYS 693           HD2      LYS 693   6.639  -7.449   8.738
  609   2HD   LYS 693           HD1      LYS 693   6.198  -5.884   9.422
  610   1HE   LYS 693           HE2      LYS 693   7.822  -6.970  10.844
  611   2HE   LYS 693           HE1      LYS 693   6.272  -6.870  11.675
  612   1HZ   LYS 693           HZ3      LYS 693   7.348  -9.283  10.304
  613   2HZ   LYS 693           HZ2      LYS 693   7.315  -9.033  11.977
  614   3HZ   LYS 693           HZ1      LYS 693   5.861  -9.188  11.115
  615    H    VAL 694           HN       VAL 694   2.505  -7.589   5.727
  616    HA   VAL 694           HA       VAL 694   1.525  -5.055   4.912
  617    HB   VAL 694           HB       VAL 694   1.380  -5.937   2.654
  618   1HG1  VAL 694          3HG1      VAL 694   3.559  -5.263   3.479
  619   2HG1  VAL 694          2HG1      VAL 694   3.849  -6.889   4.096
  620   3HG1  VAL 694          1HG1      VAL 694   3.712  -6.617   2.359
  621   1HG2  VAL 694          2HG2      VAL 694   0.452  -8.140   3.125
  622   2HG2  VAL 694          1HG2      VAL 694   1.910  -8.270   2.143
  623   3HG2  VAL 694          3HG2      VAL 694   1.972  -8.636   3.867
  624    H    LYS 695           HN       LYS 695  -0.023  -8.198   5.387
  625    HA   LYS 695           HA       LYS 695  -2.574  -7.478   4.384
  626   1HB   LYS 695           HB2      LYS 695  -1.943  -9.809   4.706
  627   2HB   LYS 695           HB1      LYS 695  -1.777  -9.557   6.437
  628   1HG   LYS 695           HG2      LYS 695  -3.854 -10.716   5.866
  629   2HG   LYS 695           HG1      LYS 695  -4.159  -9.159   6.639
  630   1HD   LYS 695           HD2      LYS 695  -4.602  -8.155   4.461
  631   2HD   LYS 695           HD1      LYS 695  -4.262  -9.697   3.671
  632   1HE   LYS 695           HE2      LYS 695  -6.665  -9.335   3.890
  633   2HE   LYS 695           HE1      LYS 695  -6.144 -10.721   4.846
  634   1HZ   LYS 695           HZ1      LYS 695  -6.153  -9.287   6.818
  635   2HZ   LYS 695           HZ3      LYS 695  -6.724  -7.999   5.881
  636   3HZ   LYS 695           HZ2      LYS 695  -7.685  -9.372   6.092
  637    H    GLU 696           HN       GLU 696  -1.031  -7.234   7.537
  638    HA   GLU 696           HA       GLU 696  -3.199  -6.495   9.125
  639   1HB   GLU 696           HB2      GLU 696  -1.056  -7.079  10.079
  640   2HB   GLU 696           HB1      GLU 696  -0.277  -5.729   9.269
  641   1HG   GLU 696           HG2      GLU 696  -1.663  -4.191  10.631
  642   2HG   GLU 696           HG1      GLU 696  -2.273  -5.593  11.511
  643    H    PHE 697           HN       PHE 697  -0.997  -4.503   7.197
  644    HA   PHE 697           HA       PHE 697  -2.220  -2.041   7.968
  645   1HB   PHE 697           HB2      PHE 697   0.051  -1.859   7.364
  646   2HB   PHE 697           HB1      PHE 697  -0.169  -2.813   5.901
  647    HD1  PHE 697           HD1      PHE 697  -1.159   0.418   7.449
  648    HD2  PHE 697           HD2      PHE 697  -0.422  -1.740   3.855
  649    HE1  PHE 697           HE1      PHE 697  -1.392   2.498   6.160
  650    HE2  PHE 697           HE2      PHE 697  -0.659   0.341   2.558
  651    HZ   PHE 697           HZ       PHE 697  -1.208   2.420   3.663
  652    H    ILE 698           HN       ILE 698  -2.250  -3.981   4.973
  653    HA   ILE 698           HA       ILE 698  -3.819  -2.200   3.500
  654    HB   ILE 698           HB       ILE 698  -2.570  -4.030   2.436
  655   1HG1  ILE 698          2HG1      ILE 698  -4.303  -4.722   0.803
  656   2HG1  ILE 698          1HG1      ILE 698  -5.549  -4.099   1.878
  657   1HG2  ILE 698          1HG2      ILE 698  -3.037  -5.777   4.073
  658   2HG2  ILE 698          3HG2      ILE 698  -4.713  -5.839   3.529
  659   3HG2  ILE 698          2HG2      ILE 698  -3.412  -6.301   2.431
  660   1HD1  ILE 698          2HD1      ILE 698  -4.522  -1.856   1.665
  661   2HD1  ILE 698          1HD1      ILE 698  -3.418  -2.526   0.466
  662   3HD1  ILE 698          3HD1      ILE 698  -5.151  -2.512   0.153
  663    H    ASN 699           HN       ASN 699  -4.770  -4.756   5.739
  664    HA   ASN 699           HA       ASN 699  -7.476  -4.922   5.041
  665   1HB   ASN 699           HB2      ASN 699  -6.507  -6.572   6.473
  666   2HB   ASN 699           HB1      ASN 699  -6.059  -5.357   7.667
  667   1HD2  ASN 699          1HD2      ASN 699  -7.592  -4.547   9.053
  668   2HD2  ASN 699          2HD2      ASN 699  -9.151  -5.286   9.245
  669    H    SER 700           HN       SER 700  -5.996  -3.008   7.664
  670    HA   SER 700           HA       SER 700  -8.312  -1.583   8.356
  671   1HB   SER 700           HB2      SER 700  -6.828  -0.100   9.571
  672   2HB   SER 700           HB1      SER 700  -6.222  -1.747   9.731
  673    HG   SER 700           HG       SER 700  -4.810  -1.181   7.889
  674    H    TYR 701           HN       TYR 701  -5.859  -1.083   5.946
  675    HA   TYR 701           HA       TYR 701  -6.491   1.562   5.216
  676   1HB   TYR 701           HB2      TYR 701  -4.362   0.570   4.670
  677   2HB   TYR 701           HB1      TYR 701  -5.139  -0.698   3.736
  678    HD1  TYR 701           HD1      TYR 701  -4.944  -0.490   1.444
  679    HD2  TYR 701           HD2      TYR 701  -5.124   3.022   3.829
  680    HE1  TYR 701           HE1      TYR 701  -4.711   0.894  -0.578
  681    HE2  TYR 701           HE2      TYR 701  -4.891   4.409   1.838
  682    HH   TYR 701           HH       TYR 701  -5.331   3.259  -1.251
  683    H    MET 702           HN       MET 702  -7.624  -1.579   4.013
  684    HA   MET 702           HA       MET 702  -9.172  -0.768   1.831
  685   1HB   MET 702           HB2      MET 702  -9.906  -2.923   3.827
  686   2HB   MET 702           HB1      MET 702 -10.450  -2.808   2.162
  687   1HG   MET 702           HG2      MET 702  -8.408  -3.489   1.317
  688   2HG   MET 702           HG1      MET 702  -7.549  -3.081   2.802
  689   1HE   MET 702           HE2      MET 702  -6.316  -5.362   2.478
  690   2HE   MET 702           HE1      MET 702  -7.078  -6.953   2.581
  691   3HE   MET 702           HE3      MET 702  -7.315  -5.953   1.144
  692    H    ASP 703           HN       ASP 703 -10.024  -1.153   5.230
  693    HA   ASP 703           HA       ASP 703 -12.763  -0.656   5.034
  694   1HB   ASP 703           HB2      ASP 703 -11.566  -1.691   6.967
  695   2HB   ASP 703           HB1      ASP 703 -10.967  -0.095   7.403
  696    H    LYS 704           HN       LYS 704 -10.078   1.557   5.633
  697    HA   LYS 704           HA       LYS 704 -11.697   3.799   6.228
  698   1HB   LYS 704           HB2      LYS 704  -8.801   3.521   5.482
  699   2HB   LYS 704           HB1      LYS 704  -9.542   5.093   5.767
  700   1HG   LYS 704           HG2      LYS 704 -10.204   4.338   8.017
  701   2HG   LYS 704           HG1      LYS 704  -9.370   2.813   7.723
  702   1HD   LYS 704           HD2      LYS 704  -7.257   3.940   7.538
  703   2HD   LYS 704           HD1      LYS 704  -8.043   5.518   7.626
  704   1HE   LYS 704           HE2      LYS 704  -7.047   4.942   9.769
  705   2HE   LYS 704           HE1      LYS 704  -8.803   5.008   9.899
  706   1HZ   LYS 704           HZ1      LYS 704  -8.870   2.587   9.758
  707   2HZ   LYS 704           HZ3      LYS 704  -7.175   2.535   9.648
  708   3HZ   LYS 704           HZ2      LYS 704  -7.915   3.099  11.061
  709    H    ILE 705           HN       ILE 705 -10.598   2.503   3.150
  710    HA   ILE 705           HA       ILE 705 -10.891   4.952   1.711
  711    HB   ILE 705           HB       ILE 705 -10.988   2.144   0.592
  712   1HG1  ILE 705          2HG1      ILE 705  -8.943   2.524   1.938
  713   2HG1  ILE 705          1HG1      ILE 705  -8.588   2.329   0.226
  714   1HG2  ILE 705          2HG2      ILE 705 -11.774   3.882  -0.938
  715   2HG2  ILE 705          1HG2      ILE 705 -10.275   4.780  -0.695
  716   3HG2  ILE 705          3HG2      ILE 705 -10.240   3.201  -1.481
  717   1HD1  ILE 705          2HD1      ILE 705  -8.722   4.948   1.709
  718   2HD1  ILE 705          1HD1      ILE 705  -7.252   4.098   1.231
  719   3HD1  ILE 705          3HD1      ILE 705  -8.337   4.742   0.000
  720    H    ILE 706           HN       ILE 706 -12.923   2.210   2.468
  721    HA   ILE 706           HA       ILE 706 -15.111   2.981   0.807
  722    HB   ILE 706           HB       ILE 706 -15.114   1.153   3.211
  723   1HG1  ILE 706          2HG1      ILE 706 -14.812   0.491   0.273
  724   2HG1  ILE 706          1HG1      ILE 706 -13.499   0.486   1.445
  725   1HG2  ILE 706          1HG2      ILE 706 -17.346   1.927   2.567
  726   2HG2  ILE 706          3HG2      ILE 706 -17.056   1.386   0.913
  727   3HG2  ILE 706          2HG2      ILE 706 -17.141   0.209   2.224
  728   1HD1  ILE 706          2HD1      ILE 706 -14.609  -1.296   2.678
  729   2HD1  ILE 706          1HD1      ILE 706 -15.922  -1.289   1.500
  730   3HD1  ILE 706          3HD1      ILE 706 -14.295  -1.755   1.004
  731    H    LEU 707           HN       LEU 707 -14.317   3.330   4.237
  732    HA   LEU 707           HA       LEU 707 -16.695   4.526   5.094
  733   1HB   LEU 707           HB2      LEU 707 -13.871   4.767   6.111
  734   2HB   LEU 707           HB1      LEU 707 -15.231   5.529   6.911
  735    HG   LEU 707           HG       LEU 707 -14.915   2.558   6.475
  736   1HD1  LEU 707          1HD1      LEU 707 -14.574   4.244   8.948
  737   2HD1  LEU 707          3HD1      LEU 707 -14.564   2.484   8.905
  738   3HD1  LEU 707          2HD1      LEU 707 -13.298   3.391   8.077
  739   1HD2  LEU 707          2HD2      LEU 707 -17.249   3.267   6.520
  740   2HD2  LEU 707          1HD2      LEU 707 -16.832   2.373   7.980
  741   3HD2  LEU 707          3HD2      LEU 707 -16.966   4.131   8.031
  742    H    LYS 708           HN       LYS 708 -13.832   5.926   3.594
  743    HA   LYS 708           HA       LYS 708 -14.449   8.624   4.102
  744   1HB   LYS 708           HB2      LYS 708 -12.223   7.943   3.401
  745   2HB   LYS 708           HB1      LYS 708 -12.849   7.407   1.846
  746   1HG   LYS 708           HG2      LYS 708 -13.394   9.654   1.223
  747   2HG   LYS 708           HG1      LYS 708 -12.978  10.247   2.830
  748   1HD   LYS 708           HD2      LYS 708 -10.650   9.524   2.460
  749   2HD   LYS 708           HD1      LYS 708 -11.088   9.023   0.824
  750   1HE   LYS 708           HE2      LYS 708 -10.024  11.279   0.965
  751   2HE   LYS 708           HE1      LYS 708 -11.612  11.267   0.199
  752   1HZ   LYS 708           HZ2      LYS 708 -11.197  11.928   3.064
  753   2HZ   LYS 708           HZ1      LYS 708 -11.233  13.098   1.836
  754   3HZ   LYS 708           HZ3      LYS 708 -12.602  12.147   2.146
  755    H    LYS 709           HN       LYS 709 -15.242   6.528   1.354
  756    HA   LYS 709           HA       LYS 709 -16.552   8.645  -0.069
  757   1HB   LYS 709           HB2      LYS 709 -15.493   6.796  -1.270
  758   2HB   LYS 709           HB1      LYS 709 -16.605   5.657  -0.525
  759   1HG   LYS 709           HG2      LYS 709 -18.284   6.170  -1.927
  760   2HG   LYS 709           HG1      LYS 709 -17.864   7.883  -1.980
  761   1HD   LYS 709           HD2      LYS 709 -17.566   6.711  -4.153
  762   2HD   LYS 709           HD1      LYS 709 -16.091   7.458  -3.542
  763   1HE   LYS 709           HE2      LYS 709 -15.368   5.269  -2.676
  764   2HE   LYS 709           HE1      LYS 709 -16.825   4.538  -3.346
  765   1HZ   LYS 709           HZ3      LYS 709 -15.015   6.057  -5.108
  766   2HZ   LYS 709           HZ2      LYS 709 -14.622   4.466  -4.675
  767   3HZ   LYS 709           HZ1      LYS 709 -16.072   4.787  -5.493
  768    H    LYS 710           HN       LYS 710 -17.501   6.191   2.216
  769    HA   LYS 710           HA       LYS 710 -20.322   6.534   1.824
  770   1HB   LYS 710           HB2      LYS 710 -19.357   4.467   2.786
  771   2HB   LYS 710           HB1      LYS 710 -18.839   5.380   4.197
  772   1HG   LYS 710           HG2      LYS 710 -21.123   5.832   4.807
  773   2HG   LYS 710           HG1      LYS 710 -21.703   5.071   3.324
  774   1HD   LYS 710           HD2      LYS 710 -20.802   2.925   4.063
  775   2HD   LYS 710           HD1      LYS 710 -20.190   3.682   5.537
  776   1HE   LYS 710           HE2      LYS 710 -22.453   4.237   6.221
  777   2HE   LYS 710           HE1      LYS 710 -23.090   3.574   4.717
  778   1HZ   LYS 710           HZ3      LYS 710 -21.630   2.004   6.777
  779   2HZ   LYS 710           HZ2      LYS 710 -23.315   2.048   6.594
  780   3HZ   LYS 710           HZ1      LYS 710 -22.353   1.393   5.369
  781    H    GLN 711           HN       GLN 711 -17.847   8.159   3.589
  782    HA   GLN 711           HA       GLN 711 -19.443   9.558   5.455
  783   1HB   GLN 711           HB2      GLN 711 -16.991   9.414   5.621
  784   2HB   GLN 711           HB1      GLN 711 -16.826  10.343   4.141
  785   1HG   GLN 711           HG2      GLN 711 -17.856  12.272   5.245
  786   2HG   GLN 711           HG1      GLN 711 -17.987  11.338   6.735
  787   1HE2  GLN 711          1HE2      GLN 711 -16.683  12.756   7.878
  788   2HE2  GLN 711          2HE2      GLN 711 -14.972  12.852   7.635
  789    H    LYS 712           HN       LYS 712 -18.975   9.883   2.056
  790    HA   LYS 712           HA       LYS 712 -19.910  12.619   1.936
  791   1HB   LYS 712           HB2      LYS 712 -19.421  10.626  -0.284
  792   2HB   LYS 712           HB1      LYS 712 -19.738  12.341  -0.499
  793   1HG   LYS 712           HG2      LYS 712 -17.666  12.836   0.760
  794   2HG   LYS 712           HG1      LYS 712 -17.335  11.103   0.823
  795   1HD   LYS 712           HD2      LYS 712 -17.304  11.021  -1.622
  796   2HD   LYS 712           HD1      LYS 712 -17.635  12.754  -1.684
  797   1HE   LYS 712           HE2      LYS 712 -15.531  13.148  -0.433
  798   2HE   LYS 712           HE1      LYS 712 -15.193  11.419  -0.524
  799   1HZ   LYS 712           HZ3      LYS 712 -15.198  11.591  -2.942
  800   2HZ   LYS 712           HZ2      LYS 712 -15.498  13.260  -2.836
  801   3HZ   LYS 712           HZ1      LYS 712 -14.038  12.622  -2.258
  802    H    LYS 713           HN       LYS 713 -21.132   9.391   1.559
  803    HA   LYS 713           HA       LYS 713 -23.854  10.481   1.355
  804   1HB   LYS 713           HB2      LYS 713 -22.922   8.041  -0.174
  805   2HB   LYS 713           HB1      LYS 713 -24.518   8.773  -0.226
  806   1HG   LYS 713           HG2      LYS 713 -23.432  10.822  -1.198
  807   2HG   LYS 713           HG1      LYS 713 -21.951   9.873  -1.337
  808   1HD   LYS 713           HD2      LYS 713 -24.602   9.328  -2.664
  809   2HD   LYS 713           HD1      LYS 713 -23.096   9.810  -3.446
  810   1HE   LYS 713           HE2      LYS 713 -23.552   7.228  -1.953
  811   2HE   LYS 713           HE1      LYS 713 -23.562   7.406  -3.706
  812   1HZ   LYS 713           HZ2      LYS 713 -21.231   8.005  -1.967
  813   2HZ   LYS 713           HZ1      LYS 713 -21.444   6.560  -2.830
  814   3HZ   LYS 713           HZ3      LYS 713 -21.259   8.028  -3.661
  815    H    ALA 714           HN       ALA 714 -24.042  10.084   3.595
  816    HA   ALA 714           HA       ALA 714 -23.315   7.709   4.882
  817   1HB   ALA 714           HB2      ALA 714 -25.472   9.675   5.631
  818   2HB   ALA 714           HB1      ALA 714 -24.788   8.450   6.699
  819   3HB   ALA 714           HB3      ALA 714 -23.771   9.755   6.092

  No H/Q in entry =         819
  Start of MODEL    7
    1    H    VAL 622           HN       VAL 622  22.023  13.065  -5.033
    2    HA   VAL 622           HA       VAL 622  19.421  11.841  -4.497
    3    HB   VAL 622           HB       VAL 622  21.762  10.727  -6.050
    4   1HG1  VAL 622          2HG1      VAL 622  18.930   9.735  -5.740
    5   2HG1  VAL 622          1HG1      VAL 622  20.126   9.068  -6.851
    6   3HG1  VAL 622          3HG1      VAL 622  20.388   8.969  -5.110
    7   1HG2  VAL 622          3HG2      VAL 622  20.794  12.672  -7.155
    8   2HG2  VAL 622          2HG2      VAL 622  20.403  11.196  -8.037
    9   3HG2  VAL 622          1HG2      VAL 622  19.186  11.964  -7.018
   10    H    SER 623           HN       SER 623  19.334  11.242  -2.404
   11    HA   SER 623           HA       SER 623  21.551   9.908  -1.132
   12   1HB   SER 623           HB2      SER 623  18.688  10.188  -0.181
   13   2HB   SER 623           HB1      SER 623  20.085   9.745   0.801
   14    HG   SER 623           HG       SER 623  20.555  12.052  -0.504
   15    H    GLN 624           HN       GLN 624  21.439   7.703  -0.318
   16    HA   GLN 624           HA       GLN 624  20.862   5.829  -2.266
   17   1HB   GLN 624           HB2      GLN 624  21.990   5.824   0.279
   18   2HB   GLN 624           HB1      GLN 624  20.640   4.707   0.410
   19   1HG   GLN 624           HG2      GLN 624  22.751   4.551  -1.725
   20   2HG   GLN 624           HG1      GLN 624  22.815   3.663  -0.206
   21   1HE2  GLN 624          1HE2      GLN 624  20.006   3.094  -0.080
   22   2HE2  GLN 624          2HE2      GLN 624  19.677   1.914  -1.306
   23    H    SER 625           HN       SER 625  18.895   6.819   0.485
   24    HA   SER 625           HA       SER 625  16.869   4.937   0.336
   25   1HB   SER 625           HB2      SER 625  16.480   7.818   1.140
   26   2HB   SER 625           HB1      SER 625  15.632   6.397   1.752
   27    HG   SER 625           HG       SER 625  17.341   5.846   2.945
   28    H    GLN 626           HN       GLN 626  17.393   7.795  -1.618
   29    HA   GLN 626           HA       GLN 626  14.728   8.112  -2.525
   30   1HB   GLN 626           HB2      GLN 626  17.343   8.983  -3.761
   31   2HB   GLN 626           HB1      GLN 626  15.757   9.508  -4.309
   32   1HG   GLN 626           HG2      GLN 626  15.331  10.581  -2.199
   33   2HG   GLN 626           HG1      GLN 626  16.841   9.960  -1.540
   34   1HE2  GLN 626          1HE2      GLN 626  16.510  11.187  -4.806
   35   2HE2  GLN 626          2HE2      GLN 626  17.479  12.602  -4.559
   36    H    ARG 627           HN       ARG 627  17.531   6.404  -3.869
   37    HA   ARG 627           HA       ARG 627  16.085   5.381  -6.121
   38   1HB   ARG 627           HB2      ARG 627  18.661   4.436  -4.848
   39   2HB   ARG 627           HB1      ARG 627  18.029   3.869  -6.389
   40   1HG   ARG 627           HG2      ARG 627  18.249   6.092  -7.326
   41   2HG   ARG 627           HG1      ARG 627  18.812   6.708  -5.769
   42   1HD   ARG 627           HD2      ARG 627  20.743   5.194  -5.891
   43   2HD   ARG 627           HD1      ARG 627  20.187   4.629  -7.467
   44    HE   ARG 627           HE       ARG 627  20.365   7.240  -7.921
   45   1HH1  ARG 627          1HH1      ARG 627  22.596   5.094  -6.276
   46   2HH1  ARG 627          2HH1      ARG 627  24.008   5.995  -6.754
   47   1HH2  ARG 627          1HH2      ARG 627  22.196   8.432  -8.508
   48   2HH2  ARG 627          2HH2      ARG 627  23.777   7.913  -8.007
   49    H    LEU 628           HN       LEU 628  16.703   4.418  -2.854
   50    HA   LEU 628           HA       LEU 628  15.950   1.708  -3.037
   51   1HB   LEU 628           HB2      LEU 628  17.244   2.838  -1.182
   52   2HB   LEU 628           HB1      LEU 628  15.715   3.479  -0.610
   53    HG   LEU 628           HG       LEU 628  14.901   1.127  -0.351
   54   1HD1  LEU 628          3HD1      LEU 628  17.782   0.489  -0.957
   55   2HD1  LEU 628          2HD1      LEU 628  16.612  -0.647  -0.286
   56   3HD1  LEU 628          1HD1      LEU 628  16.372   0.016  -1.903
   57   1HD2  LEU 628          1HD2      LEU 628  17.376   1.880   1.195
   58   2HD2  LEU 628          3HD2      LEU 628  15.729   2.405   1.546
   59   3HD2  LEU 628          2HD2      LEU 628  16.163   0.703   1.695
   60    H    GLU 629           HN       GLU 629  14.107   4.658  -2.751
   61    HA   GLU 629           HA       GLU 629  11.673   3.627  -1.831
   62   1HB   GLU 629           HB2      GLU 629  12.196   5.893  -3.760
   63   2HB   GLU 629           HB1      GLU 629  10.626   5.545  -3.053
   64   1HG   GLU 629           HG2      GLU 629  11.531   5.968  -0.827
   65   2HG   GLU 629           HG1      GLU 629  13.109   6.310  -1.536
   66    H    HIS 630           HN       HIS 630  12.861   4.066  -5.123
   67    HA   HIS 630           HA       HIS 630  10.710   2.957  -6.503
   68   1HB   HIS 630           HB2      HIS 630  13.615   2.826  -7.331
   69   2HB   HIS 630           HB1      HIS 630  12.214   2.683  -8.387
   70    HD1  HIS 630           HD1      HIS 630  10.742   4.949  -8.611
   71    HD2  HIS 630           HD2      HIS 630  14.548   5.332  -6.993
   72    HE1  HIS 630           HE1      HIS 630  11.320   7.391  -8.806
   73    HE2  HIS 630           HE2      HIS 630  13.729   7.534  -8.059
   74    H    ASN 631           HN       ASN 631  13.585   1.473  -5.101
   75    HA   ASN 631           HA       ASN 631  13.123  -1.132  -6.124
   76   1HB   ASN 631           HB2      ASN 631  14.655  -0.291  -3.649
   77   2HB   ASN 631           HB1      ASN 631  14.727  -1.884  -4.395
   78   1HD2  ASN 631          1HD2      ASN 631  14.584  -0.666  -7.110
   79   2HD2  ASN 631          2HD2      ASN 631  16.168  -0.037  -7.410
   80    H    TRP 632           HN       TRP 632  12.204   0.529  -3.165
   81    HA   TRP 632           HA       TRP 632  10.858  -1.634  -1.948
   82   1HB   TRP 632           HB2      TRP 632  11.074   1.269  -1.542
   83   2HB   TRP 632           HB1      TRP 632   9.540   0.580  -1.025
   84    HD1  TRP 632           HD1      TRP 632  13.065   1.023   0.118
   85    HE1  TRP 632           HE1      TRP 632  13.436  -0.260   2.324
   86    HE3  TRP 632           HE3      TRP 632   8.787  -1.746   0.151
   87    HZ2  TRP 632           HZ2      TRP 632  12.065  -2.205   3.869
   88    HZ3  TRP 632           HZ3      TRP 632   8.388  -3.292   2.012
   89    HH2  TRP 632           HH2      TRP 632   9.978  -3.519   3.821
   90    H    ASN 633           HN       ASN 633   9.864   0.879  -4.203
   91    HA   ASN 633           HA       ASN 633   7.106   0.317  -4.216
   92   1HB   ASN 633           HB2      ASN 633   8.827   1.483  -6.420
   93   2HB   ASN 633           HB1      ASN 633   7.069   1.469  -6.427
   94   1HD2  ASN 633          1HD2      ASN 633   7.246   1.932  -3.405
   95   2HD2  ASN 633          2HD2      ASN 633   7.526   3.625  -3.266
   96    H    LYS 634           HN       LYS 634   9.737  -0.817  -6.306
   97    HA   LYS 634           HA       LYS 634   8.185  -2.529  -7.908
   98   1HB   LYS 634           HB2      LYS 634  10.475  -1.840  -8.491
   99   2HB   LYS 634           HB1      LYS 634  11.104  -2.766  -7.137
  100   1HG   LYS 634           HG2      LYS 634  11.444  -3.996  -9.163
  101   2HG   LYS 634           HG1      LYS 634  10.229  -4.823  -8.188
  102   1HD   LYS 634           HD2      LYS 634   8.461  -3.763  -9.556
  103   2HD   LYS 634           HD1      LYS 634   9.714  -3.036 -10.564
  104   1HE   LYS 634           HE2      LYS 634  10.543  -5.297 -11.105
  105   2HE   LYS 634           HE1      LYS 634   9.221  -5.985 -10.165
  106   1HZ   LYS 634           HZ1      LYS 634   7.659  -4.881 -11.687
  107   2HZ   LYS 634           HZ3      LYS 634   8.967  -4.321 -12.613
  108   3HZ   LYS 634           HZ2      LYS 634   8.672  -5.984 -12.490
  109    H    PHE 635           HN       PHE 635   9.710  -2.963  -4.773
  110    HA   PHE 635           HA       PHE 635   9.340  -5.734  -4.514
  111   1HB   PHE 635           HB2      PHE 635  10.780  -4.655  -2.956
  112   2HB   PHE 635           HB1      PHE 635   9.526  -3.517  -2.475
  113    HD1  PHE 635           HD1      PHE 635   8.542  -3.879  -0.435
  114    HD2  PHE 635           HD2      PHE 635  10.039  -7.210  -2.614
  115    HE1  PHE 635           HE1      PHE 635   7.920  -5.370   1.420
  116    HE2  PHE 635           HE2      PHE 635   9.420  -8.706  -0.764
  117    HZ   PHE 635           HZ       PHE 635   8.316  -7.771   1.256
  118    H    PHE 636           HN       PHE 636   7.273  -3.030  -3.427
  119    HA   PHE 636           HA       PHE 636   5.226  -4.713  -2.445
  120   1HB   PHE 636           HB2      PHE 636   5.295  -1.798  -3.206
  121   2HB   PHE 636           HB1      PHE 636   3.830  -2.574  -2.602
  122    HD1  PHE 636           HD1      PHE 636   5.184  -4.425  -0.584
  123    HD2  PHE 636           HD2      PHE 636   5.677  -0.303  -1.458
  124    HE1  PHE 636           HE1      PHE 636   5.949  -4.022   1.715
  125    HE2  PHE 636           HE2      PHE 636   6.448   0.105   0.820
  126    HZ   PHE 636           HZ       PHE 636   6.577  -1.928   2.438
  127    H    ALA 637           HN       ALA 637   5.902  -3.287  -5.550
  128    HA   ALA 637           HA       ALA 637   3.480  -3.737  -6.850
  129   1HB   ALA 637           HB1      ALA 637   6.248  -3.843  -8.038
  130   2HB   ALA 637           HB3      ALA 637   4.739  -3.604  -8.920
  131   3HB   ALA 637           HB2      ALA 637   5.295  -2.381  -7.777
  132    H    SER 638           HN       SER 638   5.832  -6.037  -5.787
  133    HA   SER 638           HA       SER 638   5.208  -8.013  -7.756
  134   1HB   SER 638           HB2      SER 638   6.616  -9.511  -6.515
  135   2HB   SER 638           HB1      SER 638   7.388  -7.927  -6.518
  136    HG   SER 638           HG       SER 638   6.863  -7.644  -4.414
  137    H    PHE 639           HN       PHE 639   4.022  -7.327  -4.473
  138    HA   PHE 639           HA       PHE 639   2.250  -9.650  -4.781
  139   1HB   PHE 639           HB2      PHE 639   2.020  -9.637  -2.300
  140   2HB   PHE 639           HB1      PHE 639   3.611 -10.058  -2.910
  141    HD1  PHE 639           HD1      PHE 639   1.625  -7.513  -1.195
  142    HD2  PHE 639           HD2      PHE 639   5.542  -8.686  -2.403
  143    HE1  PHE 639           HE1      PHE 639   2.587  -5.729   0.186
  144    HE2  PHE 639           HE2      PHE 639   6.498  -6.901  -1.025
  145    HZ   PHE 639           HZ       PHE 639   5.132  -5.719   0.535
  146    H    VAL 640           HN       VAL 640   2.280  -6.238  -4.015
  147    HA   VAL 640           HA       VAL 640  -0.203  -5.950  -2.851
  148    HB   VAL 640           HB       VAL 640   1.396  -4.093  -4.593
  149   1HG1  VAL 640          1HG1      VAL 640  -0.957  -3.578  -5.040
  150   2HG1  VAL 640          3HG1      VAL 640  -1.263  -3.461  -3.307
  151   3HG1  VAL 640          2HG1      VAL 640  -0.192  -2.300  -4.094
  152   1HG2  VAL 640          1HG2      VAL 640   2.169  -4.520  -2.317
  153   2HG2  VAL 640          3HG2      VAL 640   1.625  -2.852  -2.499
  154   3HG2  VAL 640          2HG2      VAL 640   0.598  -4.031  -1.683
  155    HA   PRO 641           HA       PRO 641  -2.190  -5.334  -7.302
  156   1HB   PRO 641           HB2      PRO 641  -0.376  -7.168  -8.790
  157   2HB   PRO 641           HB1      PRO 641  -1.188  -5.694  -9.335
  158   1HG   PRO 641           HG2      PRO 641   1.404  -5.658  -8.784
  159   2HG   PRO 641           HG1      PRO 641   0.364  -4.303  -8.299
  160   1HD   PRO 641           HD2      PRO 641   1.475  -6.530  -6.639
  161   2HD   PRO 641           HD1      PRO 641   1.280  -4.812  -6.236
  162    H    ASN 642           HN       ASN 642  -0.582  -8.554  -6.897
  163    HA   ASN 642           HA       ASN 642  -2.825  -9.889  -7.995
  164   1HB   ASN 642           HB2      ASN 642  -1.762 -11.986  -7.299
  165   2HB   ASN 642           HB1      ASN 642  -0.633 -10.914  -8.117
  166   1HD2  ASN 642          1HD2      ASN 642   1.074 -10.066  -7.009
  167   2HD2  ASN 642          2HD2      ASN 642   1.525 -10.607  -5.427
  168    H    LEU 643           HN       LEU 643  -2.027  -9.032  -4.691
  169    HA   LEU 643           HA       LEU 643  -3.904 -10.703  -3.412
  170   1HB   LEU 643           HB2      LEU 643  -2.438  -8.229  -2.706
  171   2HB   LEU 643           HB1      LEU 643  -3.918  -8.499  -1.810
  172    HG   LEU 643           HG       LEU 643  -2.051  -9.332  -0.547
  173   1HD1  LEU 643          1HD1      LEU 643  -4.158 -10.579  -0.427
  174   2HD1  LEU 643          3HD1      LEU 643  -3.578 -11.655  -1.697
  175   3HD1  LEU 643          2HD1      LEU 643  -2.751 -11.602  -0.144
  176   1HD2  LEU 643          2HD2      LEU 643  -1.424 -11.063  -2.927
  177   2HD2  LEU 643          1HD2      LEU 643  -0.464  -9.708  -2.333
  178   3HD2  LEU 643          3HD2      LEU 643  -0.639 -11.159  -1.351
  179    H    ILE 644           HN       ILE 644  -4.165  -7.357  -4.500
  180    HA   ILE 644           HA       ILE 644  -6.958  -7.213  -3.833
  181    HB   ILE 644           HB       ILE 644  -5.030  -5.294  -5.057
  182   1HG1  ILE 644          2HG1      ILE 644  -6.498  -4.885  -2.542
  183   2HG1  ILE 644          1HG1      ILE 644  -5.250  -6.118  -2.531
  184   1HG2  ILE 644          1HG2      ILE 644  -7.903  -4.786  -4.346
  185   2HG2  ILE 644          3HG2      ILE 644  -6.730  -3.556  -4.810
  186   3HG2  ILE 644          2HG2      ILE 644  -7.228  -4.785  -5.976
  187   1HD1  ILE 644          2HD1      ILE 644  -3.620  -4.424  -3.261
  188   2HD1  ILE 644          1HD1      ILE 644  -4.894  -3.204  -3.225
  189   3HD1  ILE 644          3HD1      ILE 644  -4.388  -3.994  -1.732
  190    H    LYS 645           HN       LYS 645  -5.146  -7.940  -6.684
  191    HA   LYS 645           HA       LYS 645  -6.650  -7.072  -8.778
  192   1HB   LYS 645           HB2      LYS 645  -4.956  -9.446  -8.307
  193   2HB   LYS 645           HB1      LYS 645  -6.042  -9.548  -9.684
  194   1HG   LYS 645           HG2      LYS 645  -4.177  -7.233  -9.268
  195   2HG   LYS 645           HG1      LYS 645  -3.708  -8.699 -10.132
  196   1HD   LYS 645           HD2      LYS 645  -5.526  -8.358 -11.716
  197   2HD   LYS 645           HD1      LYS 645  -6.031  -6.912 -10.839
  198   1HE   LYS 645           HE2      LYS 645  -4.002  -5.783 -11.395
  199   2HE   LYS 645           HE1      LYS 645  -3.302  -7.257 -12.063
  200   1HZ   LYS 645           HZ2      LYS 645  -5.749  -6.007 -13.172
  201   2HZ   LYS 645           HZ1      LYS 645  -4.192  -5.618 -13.720
  202   3HZ   LYS 645           HZ3      LYS 645  -4.776  -7.203 -13.875
  203    H    LYS 646           HN       LYS 646  -7.560  -9.571  -6.521
  204    HA   LYS 646           HA       LYS 646 -10.228  -9.712  -7.333
  205   1HB   LYS 646           HB2      LYS 646  -9.032 -10.757  -9.371
  206   2HB   LYS 646           HB1      LYS 646  -8.735 -12.137  -8.324
  207   1HG   LYS 646           HG2      LYS 646 -10.669 -12.620  -9.600
  208   2HG   LYS 646           HG1      LYS 646 -11.208 -12.276  -7.953
  209   1HD   LYS 646           HD2      LYS 646 -11.742  -9.967  -8.649
  210   2HD   LYS 646           HD1      LYS 646 -11.284 -10.382 -10.301
  211   1HE   LYS 646           HE2      LYS 646 -13.686 -10.501 -10.066
  212   2HE   LYS 646           HE1      LYS 646 -13.030 -12.117 -10.323
  213   1HZ   LYS 646           HZ3      LYS 646 -13.649 -11.031  -7.634
  214   2HZ   LYS 646           HZ2      LYS 646 -14.763 -11.924  -8.543
  215   3HZ   LYS 646           HZ1      LYS 646 -13.308 -12.641  -8.046
  216    H    ASN 647           HN       ASN 647  -9.646  -9.539  -4.880
  217    HA   ASN 647           HA       ASN 647  -9.791 -12.304  -3.820
  218   1HB   ASN 647           HB2      ASN 647  -7.664 -10.534  -3.427
  219   2HB   ASN 647           HB1      ASN 647  -8.597 -10.442  -1.938
  220   1HD2  ASN 647          1HD2      ASN 647  -6.999 -11.447  -0.741
  221   2HD2  ASN 647          2HD2      ASN 647  -6.658 -13.140  -0.873
  222    HA   PRO 648           HA       PRO 648 -13.272 -11.147  -1.197
  223   1HB   PRO 648           HB2      PRO 648 -11.409 -10.960   1.140
  224   2HB   PRO 648           HB1      PRO 648 -13.006 -11.711   1.035
  225   1HG   PRO 648           HG2      PRO 648 -10.808 -13.203   0.960
  226   2HG   PRO 648           HG1      PRO 648 -12.199 -13.584  -0.071
  227   1HD   PRO 648           HD2      PRO 648  -9.575 -12.403  -0.795
  228   2HD   PRO 648           HD1      PRO 648 -10.671 -13.403  -1.767
  229    H    GLN 649           HN       GLN 649 -10.273  -9.298  -0.786
  230    HA   GLN 649           HA       GLN 649 -11.541  -6.932   0.149
  231   1HB   GLN 649           HB2      GLN 649  -9.333  -5.950  -0.976
  232   2HB   GLN 649           HB1      GLN 649  -9.324  -6.756   0.584
  233   1HG   GLN 649           HG2      GLN 649  -8.883  -8.368  -1.878
  234   2HG   GLN 649           HG1      GLN 649  -7.573  -7.364  -1.256
  235   1HE2  GLN 649          1HE2      GLN 649  -6.687  -7.846   0.767
  236   2HE2  GLN 649          2HE2      GLN 649  -6.926  -9.376   1.534
  237    H    SER 650           HN       SER 650 -10.448  -8.007  -3.037
  238    HA   SER 650           HA       SER 650 -11.268  -5.766  -4.508
  239   1HB   SER 650           HB2      SER 650  -9.774  -7.245  -5.564
  240   2HB   SER 650           HB1      SER 650 -10.775  -8.648  -5.209
  241    HG   SER 650           HG       SER 650 -10.866  -6.904  -7.314
  242    H    LYS 651           HN       LYS 651 -12.982  -8.585  -3.371
  243    HA   LYS 651           HA       LYS 651 -15.284  -8.433  -4.938
  244   1HB   LYS 651           HB2      LYS 651 -14.925  -9.377  -2.090
  245   2HB   LYS 651           HB1      LYS 651 -16.396  -9.616  -3.026
  246   1HG   LYS 651           HG2      LYS 651 -15.260 -11.000  -4.599
  247   2HG   LYS 651           HG1      LYS 651 -13.693 -10.611  -3.892
  248   1HD   LYS 651           HD2      LYS 651 -14.305 -12.801  -3.163
  249   2HD   LYS 651           HD1      LYS 651 -14.455 -11.715  -1.783
  250   1HE   LYS 651           HE2      LYS 651 -16.822 -12.356  -3.508
  251   2HE   LYS 651           HE1      LYS 651 -16.317 -13.453  -2.224
  252   1HZ   LYS 651           HZ1      LYS 651 -16.507 -11.549  -0.670
  253   2HZ   LYS 651           HZ3      LYS 651 -17.176 -10.627  -1.928
  254   3HZ   LYS 651           HZ2      LYS 651 -17.978 -12.007  -1.370
  255    H    GLN 652           HN       GLN 652 -14.203  -6.374  -2.375
  256    HA   GLN 652           HA       GLN 652 -16.852  -5.085  -2.357
  257   1HB   GLN 652           HB2      GLN 652 -16.336  -4.153  -0.170
  258   2HB   GLN 652           HB1      GLN 652 -16.225  -5.904  -0.128
  259   1HG   GLN 652           HG2      GLN 652 -13.820  -5.797  -0.171
  260   2HG   GLN 652           HG1      GLN 652 -13.871  -4.044  -0.358
  261   1HE2  GLN 652          1HE2      GLN 652 -12.639  -5.684   1.735
  262   2HE2  GLN 652          2HE2      GLN 652 -13.333  -5.140   3.218
  263    H    PHE 653           HN       PHE 653 -13.643  -4.924  -3.273
  264    HA   PHE 653           HA       PHE 653 -13.147  -2.125  -3.022
  265   1HB   PHE 653           HB2      PHE 653 -11.814  -4.505  -3.939
  266   2HB   PHE 653           HB1      PHE 653 -11.610  -3.218  -5.117
  267    HD1  PHE 653           HD1      PHE 653 -11.526  -0.886  -3.261
  268    HD2  PHE 653           HD2      PHE 653  -9.667  -4.704  -3.049
  269    HE1  PHE 653           HE1      PHE 653  -9.678   0.084  -1.964
  270    HE2  PHE 653           HE2      PHE 653  -7.830  -3.743  -1.750
  271    HZ   PHE 653           HZ       PHE 653  -7.832  -1.351  -1.219
  272    H    ASP 654           HN       ASP 654 -13.909  -0.524  -4.234
  273    HA   ASP 654           HA       ASP 654 -15.287  -0.964  -6.695
  274   1HB   ASP 654           HB2      ASP 654 -14.180   1.640  -5.614
  275   2HB   ASP 654           HB1      ASP 654 -15.354   1.471  -6.912
  276    H    HIS 655           HN       HIS 655 -14.450   0.469  -8.659
  277    HA   HIS 655           HA       HIS 655 -12.123  -1.027  -9.412
  278   1HB   HIS 655           HB2      HIS 655 -14.057  -0.423 -10.964
  279   2HB   HIS 655           HB1      HIS 655 -13.321   1.176 -11.081
  280    HD1  HIS 655           HD1      HIS 655 -11.252   1.413 -12.570
  281    HD2  HIS 655           HD2      HIS 655 -12.482  -2.531 -12.056
  282    HE1  HIS 655           HE1      HIS 655  -9.882   0.052 -14.187
  283    HE2  HIS 655           HE2      HIS 655 -10.485  -2.345 -13.687
  284    H    GLU 656           HN       GLU 656 -12.809   2.433  -9.050
  285    HA   GLU 656           HA       GLU 656 -10.184   3.327  -9.521
  286   1HB   GLU 656           HB2      GLU 656 -10.864   5.416  -8.472
  287   2HB   GLU 656           HB1      GLU 656 -12.136   4.840  -9.536
  288   1HG   GLU 656           HG2      GLU 656 -12.242   4.186  -6.632
  289   2HG   GLU 656           HG1      GLU 656 -12.694   5.797  -7.177
  290    H    ASN 657           HN       ASN 657 -11.786   2.048  -6.722
  291    HA   ASN 657           HA       ASN 657 -10.031   2.868  -4.686
  292   1HB   ASN 657           HB2      ASN 657 -11.738   0.395  -4.953
  293   2HB   ASN 657           HB1      ASN 657 -10.876   0.835  -3.490
  294   1HD2  ASN 657          1HD2      ASN 657 -12.858   0.742  -2.477
  295   2HD2  ASN 657          2HD2      ASN 657 -13.991   2.021  -2.599
  296    H    ILE 658           HN       ILE 658 -10.198  -0.030  -6.664
  297    HA   ILE 658           HA       ILE 658  -8.080  -1.404  -5.426
  298    HB   ILE 658           HB       ILE 658  -9.608  -1.720  -7.958
  299   1HG1  ILE 658          2HG1      ILE 658  -8.934  -3.529  -5.635
  300   2HG1  ILE 658          1HG1      ILE 658 -10.476  -2.722  -5.906
  301   1HG2  ILE 658          2HG2      ILE 658  -7.329  -2.081  -8.736
  302   2HG2  ILE 658          1HG2      ILE 658  -7.045  -3.223  -7.423
  303   3HG2  ILE 658          3HG2      ILE 658  -8.214  -3.606  -8.687
  304   1HD1  ILE 658          1HD1      ILE 658 -10.801  -4.066  -7.923
  305   2HD1  ILE 658          3HD1      ILE 658  -9.276  -4.892  -7.605
  306   3HD1  ILE 658          2HD1      ILE 658 -10.617  -5.052  -6.472
  307    H    LYS 659           HN       LYS 659  -8.171   0.736  -8.239
  308    HA   LYS 659           HA       LYS 659  -5.416   0.416  -8.896
  309   1HB   LYS 659           HB2      LYS 659  -7.242   1.260 -10.441
  310   2HB   LYS 659           HB1      LYS 659  -7.166   2.785  -9.571
  311   1HG   LYS 659           HG2      LYS 659  -5.869   2.926 -11.601
  312   2HG   LYS 659           HG1      LYS 659  -4.796   3.002 -10.200
  313   1HD   LYS 659           HD2      LYS 659  -4.284   0.624 -10.467
  314   2HD   LYS 659           HD1      LYS 659  -5.351   0.551 -11.869
  315   1HE   LYS 659           HE2      LYS 659  -3.930   2.217 -13.003
  316   2HE   LYS 659           HE1      LYS 659  -2.845   2.209 -11.612
  317   1HZ   LYS 659           HZ2      LYS 659  -3.462  -0.135 -13.331
  318   2HZ   LYS 659           HZ1      LYS 659  -2.037   0.781 -13.389
  319   3HZ   LYS 659           HZ3      LYS 659  -2.405  -0.132 -12.008
  320    H    GLN 660           HN       GLN 660  -7.255   2.805  -7.041
  321    HA   GLN 660           HA       GLN 660  -5.105   4.543  -6.480
  322   1HB   GLN 660           HB2      GLN 660  -7.406   5.264  -6.218
  323   2HB   GLN 660           HB1      GLN 660  -7.682   4.046  -4.983
  324   1HG   GLN 660           HG2      GLN 660  -6.267   5.169  -3.439
  325   2HG   GLN 660           HG1      GLN 660  -5.688   6.273  -4.686
  326   1HE2  GLN 660          1HE2      GLN 660  -6.998   7.937  -5.370
  327   2HE2  GLN 660          2HE2      GLN 660  -8.384   8.458  -4.478
  328    H    CYS 661           HN       CYS 661  -6.510   1.852  -4.653
  329    HA   CYS 661           HA       CYS 661  -4.932   2.045  -2.367
  330   1HB   CYS 661           HB2      CYS 661  -6.862   0.592  -2.426
  331   2HB   CYS 661           HB1      CYS 661  -6.137  -0.388  -3.692
  332    HG   CYS 661           HG       CYS 661  -3.933  -0.590  -1.459
  333    H    ALA 662           HN       ALA 662  -4.389   0.103  -5.301
  334    HA   ALA 662           HA       ALA 662  -2.066  -1.173  -4.551
  335   1HB   ALA 662           HB2      ALA 662  -2.780  -0.191  -7.306
  336   2HB   ALA 662           HB3      ALA 662  -3.320  -1.701  -6.575
  337   3HB   ALA 662           HB1      ALA 662  -1.609  -1.453  -6.926
  338    H    LYS 663           HN       LYS 663  -2.271   1.952  -6.312
  339    HA   LYS 663           HA       LYS 663   0.548   2.266  -6.373
  340   1HB   LYS 663           HB2      LYS 663   0.109   4.577  -7.113
  341   2HB   LYS 663           HB1      LYS 663  -0.822   3.400  -8.017
  342   1HG   LYS 663           HG2      LYS 663  -2.375   5.051  -7.682
  343   2HG   LYS 663           HG1      LYS 663  -2.708   3.988  -6.315
  344   1HD   LYS 663           HD2      LYS 663  -1.326   5.430  -4.875
  345   2HD   LYS 663           HD1      LYS 663  -1.033   6.503  -6.245
  346   1HE   LYS 663           HE2      LYS 663  -3.378   7.046  -6.378
  347   2HE   LYS 663           HE1      LYS 663  -3.760   5.860  -5.132
  348   1HZ   LYS 663           HZ1      LYS 663  -2.031   8.237  -4.692
  349   2HZ   LYS 663           HZ3      LYS 663  -3.684   8.183  -4.317
  350   3HZ   LYS 663           HZ2      LYS 663  -2.600   7.160  -3.512
  351    H    ASP 664           HN       ASP 664  -1.906   3.196  -4.083
  352    HA   ASP 664           HA       ASP 664  -0.270   5.143  -2.769
  353   1HB   ASP 664           HB2      ASP 664  -2.881   4.941  -2.910
  354   2HB   ASP 664           HB1      ASP 664  -2.677   3.941  -1.475
  355    H    ILE 665           HN       ILE 665  -1.312   1.822  -2.026
  356    HA   ILE 665           HA       ILE 665  -0.090   1.632   0.497
  357    HB   ILE 665           HB       ILE 665  -1.709  -0.037  -0.230
  358   1HG1  ILE 665          2HG1      ILE 665   0.987  -1.348   0.205
  359   2HG1  ILE 665          1HG1      ILE 665  -0.036  -0.702   1.487
  360   1HG2  ILE 665          1HG2      ILE 665  -1.152  -0.144  -2.582
  361   2HG2  ILE 665          3HG2      ILE 665   0.382  -0.924  -2.200
  362   3HG2  ILE 665          2HG2      ILE 665  -1.137  -1.757  -1.867
  363   1HD1  ILE 665          3HD1      ILE 665  -1.784  -2.328   0.781
  364   2HD1  ILE 665          2HD1      ILE 665  -0.613  -3.021  -0.337
  365   3HD1  ILE 665          1HD1      ILE 665  -0.308  -3.066   1.400
  366    H    VAL 666           HN       VAL 666   1.169   1.114  -2.761
  367    HA   VAL 666           HA       VAL 666   3.645   0.027  -2.104
  368    HB   VAL 666           HB       VAL 666   2.766   1.735  -4.435
  369   1HG1  VAL 666          3HG1      VAL 666   5.165   2.046  -4.131
  370   2HG1  VAL 666          2HG1      VAL 666   5.390   0.297  -4.093
  371   3HG1  VAL 666          1HG1      VAL 666   4.824   1.082  -5.567
  372   1HG2  VAL 666          1HG2      VAL 666   3.356  -1.210  -4.167
  373   2HG2  VAL 666          3HG2      VAL 666   1.757  -0.476  -4.292
  374   3HG2  VAL 666          2HG2      VAL 666   2.877  -0.389  -5.653
  375    H    LYS 667           HN       LYS 667   2.711   3.459  -2.513
  376    HA   LYS 667           HA       LYS 667   5.327   4.363  -1.756
  377   1HB   LYS 667           HB2      LYS 667   2.778   5.653  -2.512
  378   2HB   LYS 667           HB1      LYS 667   3.853   6.595  -1.488
  379   1HG   LYS 667           HG2      LYS 667   4.549   5.391  -4.163
  380   2HG   LYS 667           HG1      LYS 667   4.242   7.097  -3.828
  381   1HD   LYS 667           HD2      LYS 667   6.157   6.991  -2.180
  382   2HD   LYS 667           HD1      LYS 667   6.529   5.399  -2.843
  383   1HE   LYS 667           HE2      LYS 667   6.446   7.985  -4.394
  384   2HE   LYS 667           HE1      LYS 667   7.904   7.162  -3.853
  385   1HZ   LYS 667           HZ2      LYS 667   7.202   5.243  -5.238
  386   2HZ   LYS 667           HZ1      LYS 667   5.932   6.189  -5.851
  387   3HZ   LYS 667           HZ3      LYS 667   7.546   6.640  -6.129
  388    H    ILE 668           HN       ILE 668   2.264   3.993  -0.014
  389    HA   ILE 668           HA       ILE 668   3.163   5.604   2.174
  390    HB   ILE 668           HB       ILE 668   0.758   5.397   1.581
  391   1HG1  ILE 668          2HG1      ILE 668   1.445   4.586   4.413
  392   2HG1  ILE 668          1HG1      ILE 668   1.521   6.227   3.782
  393   1HG2  ILE 668          2HG2      ILE 668   0.665   3.001   1.140
  394   2HG2  ILE 668          1HG2      ILE 668   0.982   2.669   2.842
  395   3HG2  ILE 668          3HG2      ILE 668  -0.516   3.467   2.364
  396   1HD1  ILE 668          1HD1      ILE 668  -0.960   4.544   4.012
  397   2HD1  ILE 668          3HD1      ILE 668  -0.493   5.867   5.082
  398   3HD1  ILE 668          2HD1      ILE 668  -0.881   6.193   3.394
  399    H    LEU 669           HN       LEU 669   3.004   2.106   1.602
  400    HA   LEU 669           HA       LEU 669   3.555   1.390   4.289
  401   1HB   LEU 669           HB2      LEU 669   2.759  -0.018   2.147
  402   2HB   LEU 669           HB1      LEU 669   4.467  -0.405   2.105
  403    HG   LEU 669           HG       LEU 669   2.763  -0.833   4.560
  404   1HD1  LEU 669          3HD1      LEU 669   1.841  -2.122   2.705
  405   2HD1  LEU 669          2HD1      LEU 669   3.436  -2.801   2.378
  406   3HD1  LEU 669          1HD1      LEU 669   2.612  -3.173   3.892
  407   1HD2  LEU 669          2HD2      LEU 669   5.290  -0.731   4.760
  408   2HD2  LEU 669          1HD2      LEU 669   4.527  -2.212   5.334
  409   3HD2  LEU 669          3HD2      LEU 669   5.337  -2.189   3.770
  410    H    THR 670           HN       THR 670   5.625   1.890   1.450
  411    HA   THR 670           HA       THR 670   8.036   1.228   2.763
  412    HB   THR 670           HB       THR 670   7.940   1.277   0.318
  413    HG1  THR 670           HG1      THR 670   9.941   1.785   1.570
  414   1HG2  THR 670          1HG2      THR 670   6.465   3.208   0.010
  415   2HG2  THR 670          3HG2      THR 670   7.738   4.276   0.598
  416   3HG2  THR 670          2HG2      THR 670   7.959   3.388  -0.910
  417    H    THR 671           HN       THR 671   6.136   4.173   2.636
  418    HA   THR 671           HA       THR 671   8.041   6.007   3.540
  419    HB   THR 671           HB       THR 671   5.087   5.933   4.204
  420    HG1  THR 671           HG1      THR 671   5.722   6.010   1.902
  421   1HG2  THR 671          3HG2      THR 671   6.339   7.445   5.678
  422   2HG2  THR 671          2HG2      THR 671   7.038   8.239   4.267
  423   3HG2  THR 671          1HG2      THR 671   5.304   8.342   4.567
  424    H    LYS 672           HN       LYS 672   5.931   3.821   5.374
  425    HA   LYS 672           HA       LYS 672   6.817   4.690   7.936
  426   1HB   LYS 672           HB2      LYS 672   5.361   2.208   7.026
  427   2HB   LYS 672           HB1      LYS 672   5.725   2.542   8.712
  428   1HG   LYS 672           HG2      LYS 672   4.391   4.558   8.634
  429   2HG   LYS 672           HG1      LYS 672   4.076   4.305   6.916
  430   1HD   LYS 672           HD2      LYS 672   2.840   2.308   7.371
  431   2HD   LYS 672           HD1      LYS 672   3.309   2.343   9.071
  432   1HE   LYS 672           HE2      LYS 672   1.004   3.127   8.713
  433   2HE   LYS 672           HE1      LYS 672   2.039   4.368   9.418
  434   1HZ   LYS 672           HZ1      LYS 672   1.317   4.176   6.548
  435   2HZ   LYS 672           HZ3      LYS 672   0.621   5.244   7.660
  436   3HZ   LYS 672           HZ2      LYS 672   2.261   5.391   7.256
  437    H    GLU 673           HN       GLU 673   7.678   1.998   5.820
  438    HA   GLU 673           HA       GLU 673   9.407   0.699   7.624
  439   1HB   GLU 673           HB2      GLU 673   9.414   0.671   4.600
  440   2HB   GLU 673           HB1      GLU 673  10.264  -0.474   5.631
  441   1HG   GLU 673           HG2      GLU 673   7.282  -0.077   5.620
  442   2HG   GLU 673           HG1      GLU 673   8.127  -1.330   4.714
  443    H    LEU 674           HN       LEU 674   9.977   3.160   5.148
  444    HA   LEU 674           HA       LEU 674  12.819   3.205   5.592
  445   1HB   LEU 674           HB2      LEU 674  11.497   3.829   3.446
  446   2HB   LEU 674           HB1      LEU 674  11.265   5.379   4.231
  447    HG   LEU 674           HG       LEU 674  13.748   5.604   4.390
  448   1HD1  LEU 674          3HD1      LEU 674  13.697   3.165   2.619
  449   2HD1  LEU 674          2HD1      LEU 674  15.114   4.162   2.952
  450   3HD1  LEU 674          1HD1      LEU 674  14.344   3.259   4.257
  451   1HD2  LEU 674          3HD2      LEU 674  12.456   6.696   2.620
  452   2HD2  LEU 674          2HD2      LEU 674  14.048   6.202   2.049
  453   3HD2  LEU 674          1HD2      LEU 674  12.623   5.261   1.611
  454    H    LYS 675           HN       LYS 675  10.095   4.621   7.086
  455    HA   LYS 675           HA       LYS 675  11.509   6.882   8.170
  456   1HB   LYS 675           HB2      LYS 675   9.025   6.862   7.809
  457   2HB   LYS 675           HB1      LYS 675   8.893   5.687   9.111
  458   1HG   LYS 675           HG2      LYS 675   8.368   7.931   9.884
  459   2HG   LYS 675           HG1      LYS 675   9.812   7.305  10.682
  460   1HD   LYS 675           HD2      LYS 675  11.196   8.562   9.050
  461   2HD   LYS 675           HD1      LYS 675   9.718   9.258   8.383
  462   1HE   LYS 675           HE2      LYS 675  10.609   9.530  11.251
  463   2HE   LYS 675           HE1      LYS 675  10.873  10.743  10.002
  464   1HZ   LYS 675           HZ2      LYS 675   8.165   9.760  10.705
  465   2HZ   LYS 675           HZ1      LYS 675   8.888  11.081  11.486
  466   3HZ   LYS 675           HZ3      LYS 675   8.580  11.145   9.822
  467    H    LYS 676           HN       LYS 676  10.628   3.632   9.182
  468    HA   LYS 676           HA       LYS 676  11.731   3.880  11.808
  469   1HB   LYS 676           HB2      LYS 676  10.036   2.151  11.144
  470   2HB   LYS 676           HB1      LYS 676  11.297   1.341  10.223
  471   1HG   LYS 676           HG2      LYS 676  12.580   0.976  12.255
  472   2HG   LYS 676           HG1      LYS 676  11.365   1.847  13.193
  473   1HD   LYS 676           HD2      LYS 676  10.923  -0.453  13.521
  474   2HD   LYS 676           HD1      LYS 676   9.698   0.122  12.389
  475   1HE   LYS 676           HE2      LYS 676  10.961  -0.796  10.527
  476   2HE   LYS 676           HE1      LYS 676  12.238  -1.319  11.625
  477   1HZ   LYS 676           HZ3      LYS 676  10.496  -2.697  12.759
  478   2HZ   LYS 676           HZ2      LYS 676   9.453  -2.335  11.472
  479   3HZ   LYS 676           HZ1      LYS 676  10.885  -3.192  11.182
  480    H    ASP 677           HN       ASP 677  12.894   2.606   8.725
  481    HA   ASP 677           HA       ASP 677  15.649   2.967   9.689
  482   1HB   ASP 677           HB2      ASP 677  14.719   0.601   8.038
  483   2HB   ASP 677           HB1      ASP 677  16.367   0.927   8.549
  484    H    SER 678           HN       SER 678  16.543   4.475   8.389
  485    HA   SER 678           HA       SER 678  15.227   5.137   5.911
  486   1HB   SER 678           HB2      SER 678  16.882   6.991   5.819
  487   2HB   SER 678           HB1      SER 678  15.975   6.943   7.331
  488    HG   SER 678           HG       SER 678  18.488   7.120   7.231
  489    H    SER 679           HN       SER 679  17.714   3.035   6.738
  490    HA   SER 679           HA       SER 679  18.654   3.005   3.949
  491   1HB   SER 679           HB2      SER 679  20.801   2.026   4.992
  492   2HB   SER 679           HB1      SER 679  20.523   3.759   5.170
  493    HG   SER 679           HG       SER 679  20.379   1.705   7.085
  494    H    ARG 680           HN       ARG 680  16.433   1.599   5.075
  495    HA   ARG 680           HA       ARG 680  17.357  -1.157   5.387
  496   1HB   ARG 680           HB2      ARG 680  15.820  -0.404   7.058
  497   2HB   ARG 680           HB1      ARG 680  14.701   0.193   5.845
  498   1HG   ARG 680           HG2      ARG 680  14.180  -2.069   5.166
  499   2HG   ARG 680           HG1      ARG 680  15.377  -2.706   6.302
  500   1HD   ARG 680           HD2      ARG 680  14.142  -2.009   8.166
  501   2HD   ARG 680           HD1      ARG 680  13.137  -0.928   7.204
  502    HE   ARG 680           HE       ARG 680  12.939  -3.812   6.723
  503   1HH1  ARG 680          1HH1      ARG 680  11.612  -0.894   8.112
  504   2HH1  ARG 680          2HH1      ARG 680   9.978  -1.494   8.169
  505   1HH2  ARG 680          1HH2      ARG 680  10.783  -4.641   6.839
  506   2HH2  ARG 680          2HH2      ARG 680   9.514  -3.609   7.440
  507    H    ALA 681           HN       ALA 681  17.735  -2.048   3.466
  508    HA   ALA 681           HA       ALA 681  16.283  -1.585   1.089
  509   1HB   ALA 681           HB1      ALA 681  17.900  -4.016   1.859
  510   2HB   ALA 681           HB3      ALA 681  17.426  -3.551   0.225
  511   3HB   ALA 681           HB2      ALA 681  18.549  -2.544   1.137
  512    HA   PRO 682           HA       PRO 682  12.627  -4.003   1.688
  513   1HB   PRO 682           HB2      PRO 682  12.652  -4.772  -1.127
  514   2HB   PRO 682           HB1      PRO 682  11.544  -3.692  -0.281
  515   1HG   PRO 682           HG2      PRO 682  13.361  -2.836  -2.112
  516   2HG   PRO 682           HG1      PRO 682  12.766  -1.834  -0.778
  517   1HD   PRO 682           HD2      PRO 682  15.358  -3.279  -1.058
  518   2HD   PRO 682           HD1      PRO 682  15.008  -1.715  -0.295
  519    HA   PRO 683           HA       PRO 683  14.054  -8.252   1.981
  520   1HB   PRO 683           HB2      PRO 683  11.555  -9.386   2.250
  521   2HB   PRO 683           HB1      PRO 683  12.493  -8.714   3.586
  522   1HG   PRO 683           HG2      PRO 683  10.252  -7.494   2.037
  523   2HG   PRO 683           HG1      PRO 683  10.601  -7.396   3.772
  524   1HD   PRO 683           HD2      PRO 683  11.148  -5.365   2.089
  525   2HD   PRO 683           HD1      PRO 683  12.182  -5.736   3.487
  526    H    ASP 684           HN       ASP 684  13.554 -10.336   0.802
  527    HA   ASP 684           HA       ASP 684  13.723 -10.022  -1.936
  528   1HB   ASP 684           HB2      ASP 684  12.672 -12.404  -0.392
  529   2HB   ASP 684           HB1      ASP 684  13.047 -12.435  -2.114
  530    H    ASP 685           HN       ASP 685  10.903 -11.605  -0.513
  531    HA   ASP 685           HA       ASP 685   9.108  -9.768  -1.860
  532   1HB   ASP 685           HB2      ASP 685   8.056 -11.243  -3.269
  533   2HB   ASP 685           HB1      ASP 685   9.688 -11.885  -3.345
  534    H    LEU 686           HN       LEU 686   6.779 -10.861  -1.416
  535    HA   LEU 686           HA       LEU 686   6.344 -10.245   1.294
  536   1HB   LEU 686           HB2      LEU 686   4.884 -10.046  -0.829
  537   2HB   LEU 686           HB1      LEU 686   4.446 -11.711  -0.506
  538    HG   LEU 686           HG       LEU 686   2.917  -9.807   0.325
  539   1HD1  LEU 686          2HD1      LEU 686   3.825 -12.092   2.028
  540   2HD1  LEU 686          1HD1      LEU 686   2.323 -11.190   2.265
  541   3HD1  LEU 686          3HD1      LEU 686   2.575 -12.118   0.786
  542   1HD2  LEU 686          1HD2      LEU 686   5.044  -9.810   2.472
  543   2HD2  LEU 686          3HD2      LEU 686   4.614  -8.454   1.426
  544   3HD2  LEU 686          2HD2      LEU 686   3.458  -9.056   2.615
  545    H    THR 687           HN       THR 687   7.377 -11.533   2.689
  546    HA   THR 687           HA       THR 687   7.196 -14.417   2.542
  547    HB   THR 687           HB       THR 687   8.591 -14.206   4.701
  548    HG1  THR 687           HG1      THR 687   9.469 -11.726   3.954
  549   1HG2  THR 687          1HG2      THR 687   9.661 -13.101   2.100
  550   2HG2  THR 687          3HG2      THR 687  10.637 -13.723   3.429
  551   3HG2  THR 687          2HG2      THR 687   9.560 -14.805   2.546
  552    H    LYS 688           HN       LYS 688   6.946 -15.403   4.957
  553    HA   LYS 688           HA       LYS 688   4.178 -15.280   5.385
  554   1HB   LYS 688           HB2      LYS 688   6.293 -16.381   7.235
  555   2HB   LYS 688           HB1      LYS 688   4.578 -16.773   7.269
  556   1HG   LYS 688           HG2      LYS 688   4.727 -17.834   5.113
  557   2HG   LYS 688           HG1      LYS 688   6.409 -17.326   4.945
  558   1HD   LYS 688           HD2      LYS 688   6.963 -18.674   6.951
  559   2HD   LYS 688           HD1      LYS 688   5.295 -19.252   6.979
  560   1HE   LYS 688           HE2      LYS 688   6.800 -20.852   5.889
  561   2HE   LYS 688           HE1      LYS 688   5.573 -20.239   4.781
  562   1HZ   LYS 688           HZ3      LYS 688   8.349 -19.198   4.952
  563   2HZ   LYS 688           HZ2      LYS 688   7.826 -20.336   3.808
  564   3HZ   LYS 688           HZ1      LYS 688   7.175 -18.769   3.806
  565    H    GLY 689           HN       GLY 689   6.823 -14.084   7.469
  566   1HA   GLY 689           HA1      GLY 689   6.759 -12.739   9.344
  567   2HA   GLY 689           HA2      GLY 689   5.034 -13.049   9.446
  568    H    LYS 690           HN       LYS 690   6.487 -11.749   6.580
  569    HA   LYS 690           HA       LYS 690   5.865  -9.006   7.197
  570   1HB   LYS 690           HB2      LYS 690   7.600 -10.229   5.480
  571   2HB   LYS 690           HB1      LYS 690   6.305  -9.785   4.380
  572   1HG   LYS 690           HG2      LYS 690   7.685  -7.851   6.224
  573   2HG   LYS 690           HG1      LYS 690   8.148  -8.124   4.545
  574   1HD   LYS 690           HD2      LYS 690   5.962  -7.381   3.798
  575   2HD   LYS 690           HD1      LYS 690   5.429  -7.195   5.470
  576   1HE   LYS 690           HE2      LYS 690   7.716  -5.682   4.217
  577   2HE   LYS 690           HE1      LYS 690   6.076  -5.056   4.388
  578   1HZ   LYS 690           HZ3      LYS 690   7.774  -5.939   6.664
  579   2HZ   LYS 690           HZ2      LYS 690   7.605  -4.324   6.168
  580   3HZ   LYS 690           HZ1      LYS 690   6.265  -5.173   6.757
  581    H    ARG 691           HN       ARG 691   4.425 -11.667   5.465
  582    HA   ARG 691           HA       ARG 691   2.492 -10.381   3.970
  583   1HB   ARG 691           HB2      ARG 691   2.984 -12.711   3.655
  584   2HB   ARG 691           HB1      ARG 691   2.453 -13.088   5.272
  585   1HG   ARG 691           HG2      ARG 691   0.191 -12.756   4.734
  586   2HG   ARG 691           HG1      ARG 691   0.595 -11.899   3.244
  587   1HD   ARG 691           HD2      ARG 691   1.626 -14.054   2.432
  588   2HD   ARG 691           HD1      ARG 691   0.887 -14.834   3.831
  589    HE   ARG 691           HE       ARG 691  -1.292 -14.031   2.903
  590   1HH1  ARG 691          1HH1      ARG 691   1.481 -14.465   0.820
  591   2HH1  ARG 691          2HH1      ARG 691   0.542 -14.769  -0.606
  592   1HH2  ARG 691          1HH2      ARG 691  -2.549 -14.448   1.054
  593   2HH2  ARG 691          2HH2      ARG 691  -1.775 -14.789  -0.467
  594    H    HIS 692           HN       HIS 692   2.212 -11.608   7.314
  595    HA   HIS 692           HA       HIS 692  -0.516 -10.884   7.507
  596   1HB   HIS 692           HB2      HIS 692   0.657 -12.520   9.033
  597   2HB   HIS 692           HB1      HIS 692   1.380 -11.134   9.846
  598    HD1  HIS 692           HD1      HIS 692  -1.886 -12.902   9.350
  599    HD2  HIS 692           HD2      HIS 692  -0.366  -9.678  11.496
  600    HE1  HIS 692           HE1      HIS 692  -3.691 -12.251  10.973
  601    HE2  HIS 692           HE2      HIS 692  -2.852 -10.126  12.034
  602    H    LYS 693           HN       LYS 693   2.459  -9.142   7.997
  603    HA   LYS 693           HA       LYS 693   1.333  -6.925   9.369
  604   1HB   LYS 693           HB2      LYS 693   3.875  -7.242   7.785
  605   2HB   LYS 693           HB1      LYS 693   3.443  -5.752   8.617
  606   1HG   LYS 693           HG2      LYS 693   3.440  -6.888  10.740
  607   2HG   LYS 693           HG1      LYS 693   3.737  -8.435   9.945
  608   1HD   LYS 693           HD2      LYS 693   5.898  -7.646   9.167
  609   2HD   LYS 693           HD1      LYS 693   5.601  -6.064   9.892
  610   1HE   LYS 693           HE2      LYS 693   7.064  -7.531  11.260
  611   2HE   LYS 693           HE1      LYS 693   5.604  -7.008  12.097
  612   1HZ   LYS 693           HZ2      LYS 693   5.874  -9.630  10.736
  613   2HZ   LYS 693           HZ1      LYS 693   6.143  -9.393  12.393
  614   3HZ   LYS 693           HZ3      LYS 693   4.604  -9.125  11.733
  615    H    VAL 694           HN       VAL 694   2.108  -7.479   5.923
  616    HA   VAL 694           HA       VAL 694   1.116  -4.945   5.093
  617    HB   VAL 694           HB       VAL 694   1.174  -5.782   2.811
  618   1HG1  VAL 694          1HG1      VAL 694   3.234  -4.994   3.812
  619   2HG1  VAL 694          3HG1      VAL 694   3.576  -6.610   4.428
  620   3HG1  VAL 694          2HG1      VAL 694   3.558  -6.316   2.689
  621   1HG2  VAL 694          2HG2      VAL 694   1.820  -8.464   4.029
  622   2HG2  VAL 694          1HG2      VAL 694   0.354  -8.042   3.146
  623   3HG2  VAL 694          3HG2      VAL 694   1.907  -8.071   2.312
  624    H    LYS 695           HN       LYS 695  -0.300  -8.154   5.404
  625    HA   LYS 695           HA       LYS 695  -2.776  -7.588   4.150
  626   1HB   LYS 695           HB2      LYS 695  -2.054  -9.875   4.498
  627   2HB   LYS 695           HB1      LYS 695  -2.023  -9.647   6.241
  628   1HG   LYS 695           HG2      LYS 695  -4.465  -9.293   6.203
  629   2HG   LYS 695           HG1      LYS 695  -4.457  -9.631   4.471
  630   1HD   LYS 695           HD2      LYS 695  -3.636 -11.868   4.872
  631   2HD   LYS 695           HD1      LYS 695  -3.498 -11.537   6.601
  632   1HE   LYS 695           HE2      LYS 695  -5.511 -12.815   6.138
  633   2HE   LYS 695           HE1      LYS 695  -5.923 -11.204   6.722
  634   1HZ   LYS 695           HZ1      LYS 695  -6.283 -10.532   4.399
  635   2HZ   LYS 695           HZ3      LYS 695  -5.980 -12.126   3.897
  636   3HZ   LYS 695           HZ2      LYS 695  -7.320 -11.781   4.879
  637    H    GLU 696           HN       GLU 696  -1.704  -7.487   7.544
  638    HA   GLU 696           HA       GLU 696  -4.193  -6.883   8.719
  639   1HB   GLU 696           HB2      GLU 696  -1.983  -7.629   9.829
  640   2HB   GLU 696           HB1      GLU 696  -1.541  -5.929   9.790
  641   1HG   GLU 696           HG2      GLU 696  -2.412  -6.412  11.941
  642   2HG   GLU 696           HG1      GLU 696  -3.608  -5.436  11.088
  643    H    PHE 697           HN       PHE 697  -1.611  -4.856   7.458
  644    HA   PHE 697           HA       PHE 697  -2.779  -2.371   8.183
  645   1HB   PHE 697           HB2      PHE 697  -0.451  -2.329   7.793
  646   2HB   PHE 697           HB1      PHE 697  -0.600  -3.201   6.273
  647    HD1  PHE 697           HD1      PHE 697  -1.386   0.035   7.904
  648    HD2  PHE 697           HD2      PHE 697  -0.688  -2.032   4.249
  649    HE1  PHE 697           HE1      PHE 697  -1.359   2.179   6.702
  650    HE2  PHE 697           HE2      PHE 697  -0.657   0.113   3.043
  651    HZ   PHE 697           HZ       PHE 697  -1.005   2.189   4.216
  652    H    ILE 698           HN       ILE 698  -2.667  -4.242   5.163
  653    HA   ILE 698           HA       ILE 698  -4.033  -2.266   3.678
  654    HB   ILE 698           HB       ILE 698  -2.520  -4.032   2.700
  655   1HG1  ILE 698          2HG1      ILE 698  -3.633  -4.017   0.595
  656   2HG1  ILE 698          1HG1      ILE 698  -5.223  -3.906   1.348
  657   1HG2  ILE 698          2HG2      ILE 698  -3.525  -5.969   3.825
  658   2HG2  ILE 698          1HG2      ILE 698  -4.991  -5.747   2.872
  659   3HG2  ILE 698          3HG2      ILE 698  -3.475  -6.166   2.073
  660   1HD1  ILE 698          3HD1      ILE 698  -3.141  -1.749   1.543
  661   2HD1  ILE 698          2HD1      ILE 698  -4.383  -1.808   0.293
  662   3HD1  ILE 698          1HD1      ILE 698  -4.840  -1.655   1.991
  663    H    ASN 699           HN       ASN 699  -5.177  -5.088   5.479
  664    HA   ASN 699           HA       ASN 699  -7.741  -5.263   4.402
  665   1HB   ASN 699           HB2      ASN 699  -7.019  -6.978   5.882
  666   2HB   ASN 699           HB1      ASN 699  -6.705  -5.828   7.178
  667   1HD2  ASN 699          1HD2      ASN 699  -8.359  -5.093   8.423
  668   2HD2  ASN 699          2HD2      ASN 699  -9.952  -5.788   8.390
  669    H    SER 700           HN       SER 700  -6.720  -3.396   7.268
  670    HA   SER 700           HA       SER 700  -9.177  -2.033   7.558
  671   1HB   SER 700           HB2      SER 700  -6.476  -1.031   8.441
  672   2HB   SER 700           HB1      SER 700  -8.045  -0.679   9.162
  673    HG   SER 700           HG       SER 700  -6.506  -2.443  10.048
  674    H    TYR 701           HN       TYR 701  -6.232  -1.328   5.761
  675    HA   TYR 701           HA       TYR 701  -6.802   1.343   5.080
  676   1HB   TYR 701           HB2      TYR 701  -4.583   0.269   4.785
  677   2HB   TYR 701           HB1      TYR 701  -5.245  -0.706   3.479
  678    HD1  TYR 701           HD1      TYR 701  -4.985   0.036   1.311
  679    HD2  TYR 701           HD2      TYR 701  -4.869   2.879   4.469
  680    HE1  TYR 701           HE1      TYR 701  -4.387   1.792  -0.298
  681    HE2  TYR 701           HE2      TYR 701  -4.283   4.644   2.872
  682    HH   TYR 701           HH       TYR 701  -4.609   4.367  -0.397
  683    H    MET 702           HN       MET 702  -7.674  -1.705   3.580
  684    HA   MET 702           HA       MET 702  -8.913  -0.715   1.244
  685   1HB   MET 702           HB2      MET 702  -9.326  -3.250   2.836
  686   2HB   MET 702           HB1      MET 702 -10.093  -2.943   1.285
  687   1HG   MET 702           HG2      MET 702  -8.099  -3.075   0.125
  688   2HG   MET 702           HG1      MET 702  -7.126  -2.774   1.564
  689   1HE   MET 702           HE3      MET 702  -5.695  -4.776   0.343
  690   2HE   MET 702           HE2      MET 702  -6.271  -6.441   0.244
  691   3HE   MET 702           HE1      MET 702  -6.965  -5.205  -0.805
  692    H    ASP 703           HN       ASP 703 -10.122  -1.521   4.452
  693    HA   ASP 703           HA       ASP 703 -12.852  -1.305   4.029
  694   1HB   ASP 703           HB2      ASP 703 -11.936  -2.195   6.098
  695   2HB   ASP 703           HB1      ASP 703 -11.236  -0.632   6.495
  696    H    LYS 704           HN       LYS 704 -10.558   1.216   5.000
  697    HA   LYS 704           HA       LYS 704 -12.588   3.181   5.232
  698   1HB   LYS 704           HB2      LYS 704 -10.787   4.803   5.533
  699   2HB   LYS 704           HB1      LYS 704 -10.607   3.398   6.567
  700   1HG   LYS 704           HG2      LYS 704  -8.929   2.513   4.968
  701   2HG   LYS 704           HG1      LYS 704  -9.042   4.041   4.084
  702   1HD   LYS 704           HD2      LYS 704  -8.440   5.241   6.156
  703   2HD   LYS 704           HD1      LYS 704  -8.238   3.689   6.969
  704   1HE   LYS 704           HE2      LYS 704  -6.487   3.097   5.348
  705   2HE   LYS 704           HE1      LYS 704  -6.671   4.682   4.595
  706   1HZ   LYS 704           HZ2      LYS 704  -6.079   5.680   6.749
  707   2HZ   LYS 704           HZ1      LYS 704  -5.777   4.131   7.371
  708   3HZ   LYS 704           HZ3      LYS 704  -4.829   4.735   6.101
  709    H    ILE 705           HN       ILE 705 -10.630   2.114   2.526
  710    HA   ILE 705           HA       ILE 705 -11.089   4.399   0.892
  711    HB   ILE 705           HB       ILE 705 -10.700   1.550  -0.052
  712   1HG1  ILE 705          2HG1      ILE 705  -8.832   2.186   1.381
  713   2HG1  ILE 705          1HG1      ILE 705  -8.329   2.134  -0.305
  714   1HG2  ILE 705          3HG2      ILE 705 -10.279   4.198  -1.432
  715   2HG2  ILE 705          2HG2      ILE 705  -9.864   2.621  -2.103
  716   3HG2  ILE 705          1HG2      ILE 705 -11.549   3.024  -1.775
  717   1HD1  ILE 705          1HD1      ILE 705  -8.482   4.570  -0.420
  718   2HD1  ILE 705          3HD1      ILE 705  -8.968   4.612   1.276
  719   3HD1  ILE 705          2HD1      ILE 705  -7.360   4.038   0.832
  720    H    ILE 706           HN       ILE 706 -12.850   1.439   1.572
  721    HA   ILE 706           HA       ILE 706 -14.932   1.827  -0.332
  722    HB   ILE 706           HB       ILE 706 -15.144   0.343   2.296
  723   1HG1  ILE 706          2HG1      ILE 706 -13.190  -0.484   1.107
  724   2HG1  ILE 706          1HG1      ILE 706 -14.481  -1.679   1.049
  725   1HG2  ILE 706          1HG2      ILE 706 -16.637   0.050  -0.305
  726   2HG2  ILE 706          3HG2      ILE 706 -16.821  -0.999   1.100
  727   3HG2  ILE 706          2HG2      ILE 706 -17.270   0.703   1.206
  728   1HD1  ILE 706          2HD1      ILE 706 -13.723   0.208  -1.167
  729   2HD1  ILE 706          1HD1      ILE 706 -13.330  -1.510  -1.077
  730   3HD1  ILE 706          3HD1      ILE 706 -15.011  -0.997  -1.228
  731    H    LEU 707           HN       LEU 707 -14.561   2.505   3.111
  732    HA   LEU 707           HA       LEU 707 -17.048   3.759   3.519
  733   1HB   LEU 707           HB2      LEU 707 -15.601   2.931   5.330
  734   2HB   LEU 707           HB1      LEU 707 -14.433   4.187   4.967
  735    HG   LEU 707           HG       LEU 707 -16.147   5.892   5.572
  736   1HD1  LEU 707          1HD1      LEU 707 -18.140   4.555   5.140
  737   2HD1  LEU 707          3HD1      LEU 707 -17.729   3.496   6.489
  738   3HD1  LEU 707          2HD1      LEU 707 -18.137   5.186   6.787
  739   1HD2  LEU 707          1HD2      LEU 707 -15.508   3.863   7.709
  740   2HD2  LEU 707          3HD2      LEU 707 -14.467   5.189   7.187
  741   3HD2  LEU 707          2HD2      LEU 707 -16.002   5.535   7.985
  742    H    LYS 708           HN       LYS 708 -14.020   4.899   2.237
  743    HA   LYS 708           HA       LYS 708 -14.441   7.658   2.489
  744   1HB   LYS 708           HB2      LYS 708 -12.263   6.615   1.936
  745   2HB   LYS 708           HB1      LYS 708 -12.881   6.199   0.345
  746   1HG   LYS 708           HG2      LYS 708 -12.838   8.384  -0.390
  747   2HG   LYS 708           HG1      LYS 708 -12.893   9.046   1.244
  748   1HD   LYS 708           HD2      LYS 708 -10.693   9.383   0.304
  749   2HD   LYS 708           HD1      LYS 708 -10.602   8.221   1.626
  750   1HE   LYS 708           HE2      LYS 708  -9.226   7.448  -0.188
  751   2HE   LYS 708           HE1      LYS 708 -10.624   6.387  -0.044
  752   1HZ   LYS 708           HZ3      LYS 708 -10.689   8.654  -1.924
  753   2HZ   LYS 708           HZ2      LYS 708  -9.890   7.221  -2.359
  754   3HZ   LYS 708           HZ1      LYS 708 -11.545   7.190  -1.979
  755    H    LYS 709           HN       LYS 709 -15.487   5.343   0.047
  756    HA   LYS 709           HA       LYS 709 -16.668   7.333  -1.642
  757   1HB   LYS 709           HB2      LYS 709 -16.132   5.221  -2.652
  758   2HB   LYS 709           HB1      LYS 709 -17.088   4.345  -1.463
  759   1HG   LYS 709           HG2      LYS 709 -19.125   5.340  -2.344
  760   2HG   LYS 709           HG1      LYS 709 -18.184   6.263  -3.513
  761   1HD   LYS 709           HD2      LYS 709 -18.026   3.270  -3.415
  762   2HD   LYS 709           HD1      LYS 709 -19.332   4.083  -4.277
  763   1HE   LYS 709           HE2      LYS 709 -17.621   3.614  -5.864
  764   2HE   LYS 709           HE1      LYS 709 -17.590   5.347  -5.551
  765   1HZ   LYS 709           HZ3      LYS 709 -15.755   3.364  -4.316
  766   2HZ   LYS 709           HZ2      LYS 709 -15.372   4.363  -5.639
  767   3HZ   LYS 709           HZ1      LYS 709 -15.693   5.051  -4.124
  768    H    LYS 710           HN       LYS 710 -17.792   5.256   0.968
  769    HA   LYS 710           HA       LYS 710 -20.536   5.937   0.738
  770   1HB   LYS 710           HB2      LYS 710 -19.039   4.904   3.150
  771   2HB   LYS 710           HB1      LYS 710 -20.786   4.908   2.942
  772   1HG   LYS 710           HG2      LYS 710 -20.463   3.432   0.945
  773   2HG   LYS 710           HG1      LYS 710 -18.762   3.310   1.393
  774   1HD   LYS 710           HD2      LYS 710 -19.964   1.396   2.256
  775   2HD   LYS 710           HD1      LYS 710 -19.446   2.420   3.598
  776   1HE   LYS 710           HE2      LYS 710 -21.679   3.420   3.686
  777   2HE   LYS 710           HE1      LYS 710 -22.196   2.381   2.359
  778   1HZ   LYS 710           HZ2      LYS 710 -21.735   0.454   3.769
  779   2HZ   LYS 710           HZ1      LYS 710 -21.307   1.485   5.049
  780   3HZ   LYS 710           HZ3      LYS 710 -22.898   1.474   4.456
  781    H    GLN 711           HN       GLN 711 -17.826   7.476   2.226
  782    HA   GLN 711           HA       GLN 711 -19.267   9.261   3.904
  783   1HB   GLN 711           HB2      GLN 711 -16.769   8.686   3.953
  784   2HB   GLN 711           HB1      GLN 711 -16.598   9.803   2.607
  785   1HG   GLN 711           HG2      GLN 711 -16.024  10.948   4.613
  786   2HG   GLN 711           HG1      GLN 711 -17.563  11.585   4.037
  787   1HE2  GLN 711          1HE2      GLN 711 -15.986   9.660   6.470
  788   2HE2  GLN 711          2HE2      GLN 711 -17.310   9.619   7.583
  789    H    LYS 712           HN       LYS 712 -18.302   9.231   0.548
  790    HA   LYS 712           HA       LYS 712 -19.069  11.974   0.061
  791   1HB   LYS 712           HB2      LYS 712 -18.352   9.767  -1.887
  792   2HB   LYS 712           HB1      LYS 712 -18.508  11.474  -2.278
  793   1HG   LYS 712           HG2      LYS 712 -16.487  10.356  -0.348
  794   2HG   LYS 712           HG1      LYS 712 -16.166  10.687  -2.050
  795   1HD   LYS 712           HD2      LYS 712 -17.100  12.746  -0.054
  796   2HD   LYS 712           HD1      LYS 712 -15.415  12.494  -0.516
  797   1HE   LYS 712           HE2      LYS 712 -17.639  13.203  -2.424
  798   2HE   LYS 712           HE1      LYS 712 -16.514  14.365  -1.726
  799   1HZ   LYS 712           HZ3      LYS 712 -15.730  12.059  -3.434
  800   2HZ   LYS 712           HZ2      LYS 712 -15.879  13.664  -3.967
  801   3HZ   LYS 712           HZ1      LYS 712 -14.695  13.258  -2.823
  802    H    LYS 713           HN       LYS 713 -20.420   8.802  -0.143
  803    HA   LYS 713           HA       LYS 713 -22.948   9.932  -1.147
  804   1HB   LYS 713           HB2      LYS 713 -21.452   8.436  -2.747
  805   2HB   LYS 713           HB1      LYS 713 -22.162   7.124  -1.825
  806   1HG   LYS 713           HG2      LYS 713 -23.634   9.169  -3.474
  807   2HG   LYS 713           HG1      LYS 713 -23.401   7.465  -3.858
  808   1HD   LYS 713           HD2      LYS 713 -24.597   7.115  -1.544
  809   2HD   LYS 713           HD1      LYS 713 -25.206   8.741  -1.854
  810   1HE   LYS 713           HE2      LYS 713 -26.809   7.180  -2.690
  811   2HE   LYS 713           HE1      LYS 713 -26.014   7.936  -4.071
  812   1HZ   LYS 713           HZ3      LYS 713 -25.221   5.304  -2.953
  813   2HZ   LYS 713           HZ2      LYS 713 -26.293   5.489  -4.253
  814   3HZ   LYS 713           HZ1      LYS 713 -24.685   6.006  -4.400
  815    H    ALA 714           HN       ALA 714 -22.932   9.946   1.400
  816    HA   ALA 714           HA       ALA 714 -23.702   7.393   2.551
  817   1HB   ALA 714           HB3      ALA 714 -23.761  10.161   3.763
  818   2HB   ALA 714           HB1      ALA 714 -22.431   9.010   3.897
  819   3HB   ALA 714           HB2      ALA 714 -23.993   8.642   4.630

  No H/Q in entry =         819
  Start of MODEL    8
    1    H    VAL 622           HN       VAL 622  23.180  12.429  -4.161
    2    HA   VAL 622           HA       VAL 622  21.234  10.549  -5.312
    3    HB   VAL 622           HB       VAL 622  24.003   9.934  -4.258
    4   1HG1  VAL 622          1HG1      VAL 622  22.054   8.247  -5.829
    5   2HG1  VAL 622          3HG1      VAL 622  23.699   7.780  -5.398
    6   3HG1  VAL 622          2HG1      VAL 622  22.494   8.028  -4.134
    7   1HG2  VAL 622          1HG2      VAL 622  24.142  11.334  -6.245
    8   2HG2  VAL 622          3HG2      VAL 622  24.657   9.686  -6.606
    9   3HG2  VAL 622          2HG2      VAL 622  23.059  10.240  -7.107
   10    H    SER 623           HN       SER 623  19.721  10.970  -3.639
   11    HA   SER 623           HA       SER 623  20.379  10.287  -0.923
   12   1HB   SER 623           HB2      SER 623  18.640  11.961  -1.384
   13   2HB   SER 623           HB1      SER 623  17.695  10.756  -2.257
   14    HG   SER 623           HG       SER 623  18.003  11.152   0.462
   15    H    GLN 624           HN       GLN 624  20.581   8.289  -0.228
   16    HA   GLN 624           HA       GLN 624  20.229   6.054  -1.883
   17   1HB   GLN 624           HB2      GLN 624  20.582   6.195   1.113
   18   2HB   GLN 624           HB1      GLN 624  20.733   4.730   0.151
   19   1HG   GLN 624           HG2      GLN 624  22.583   5.763  -1.094
   20   2HG   GLN 624           HG1      GLN 624  22.453   7.191  -0.069
   21   1HE2  GLN 624          1HE2      GLN 624  24.655   5.319  -0.482
   22   2HE2  GLN 624          2HE2      GLN 624  25.073   4.709   1.084
   23    H    SER 625           HN       SER 625  18.125   7.552   0.460
   24    HA   SER 625           HA       SER 625  16.332   5.362   0.699
   25   1HB   SER 625           HB2      SER 625  14.792   7.314   1.536
   26   2HB   SER 625           HB1      SER 625  16.190   6.816   2.492
   27    HG   SER 625           HG       SER 625  15.669   9.204   1.386
   28    H    GLN 626           HN       GLN 626  16.454   8.227  -1.388
   29    HA   GLN 626           HA       GLN 626  13.929   7.904  -2.605
   30   1HB   GLN 626           HB2      GLN 626  16.482   9.095  -3.705
   31   2HB   GLN 626           HB1      GLN 626  14.918   9.206  -4.503
   32   1HG   GLN 626           HG2      GLN 626  14.027  10.464  -2.633
   33   2HG   GLN 626           HG1      GLN 626  15.562  10.304  -1.776
   34   1HE2  GLN 626          1HE2      GLN 626  14.113  12.694  -2.664
   35   2HE2  GLN 626          2HE2      GLN 626  15.227  13.569  -3.662
   36    H    ARG 627           HN       ARG 627  17.112   6.637  -3.400
   37    HA   ARG 627           HA       ARG 627  16.307   5.228  -5.735
   38   1HB   ARG 627           HB2      ARG 627  18.632   5.808  -5.389
   39   2HB   ARG 627           HB1      ARG 627  18.674   4.905  -3.883
   40   1HG   ARG 627           HG2      ARG 627  18.395   2.821  -5.105
   41   2HG   ARG 627           HG1      ARG 627  18.292   3.715  -6.623
   42   1HD   ARG 627           HD2      ARG 627  20.548   4.501  -6.378
   43   2HD   ARG 627           HD1      ARG 627  20.663   3.799  -4.766
   44    HE   ARG 627           HE       ARG 627  20.270   1.598  -6.066
   45   1HH1  ARG 627          1HH1      ARG 627  22.056   4.375  -7.253
   46   2HH1  ARG 627          2HH1      ARG 627  23.185   3.417  -8.175
   47   1HH2  ARG 627          1HH2      ARG 627  21.734   0.336  -7.299
   48   2HH2  ARG 627          2HH2      ARG 627  22.985   1.124  -8.214
   49    H    LEU 628           HN       LEU 628  16.374   4.556  -2.327
   50    HA   LEU 628           HA       LEU 628  15.957   1.746  -2.533
   51   1HB   LEU 628           HB2      LEU 628  16.900   3.020  -0.552
   52   2HB   LEU 628           HB1      LEU 628  15.251   3.491  -0.186
   53    HG   LEU 628           HG       LEU 628  14.684   1.037  -0.068
   54   1HD1  LEU 628          2HD1      LEU 628  17.686   0.785  -0.105
   55   2HD1  LEU 628          1HD1      LEU 628  16.548  -0.506   0.289
   56   3HD1  LEU 628          3HD1      LEU 628  16.571   0.184  -1.334
   57   1HD2  LEU 628          2HD2      LEU 628  14.996   2.412   1.911
   58   2HD2  LEU 628          1HD2      LEU 628  15.608   0.777   2.167
   59   3HD2  LEU 628          3HD2      LEU 628  16.734   2.102   1.865
   60    H    GLU 629           HN       GLU 629  13.833   4.549  -2.296
   61    HA   GLU 629           HA       GLU 629  11.406   3.225  -1.806
   62   1HB   GLU 629           HB2      GLU 629  11.920   5.715  -3.445
   63   2HB   GLU 629           HB1      GLU 629  10.334   5.174  -2.923
   64   1HG   GLU 629           HG2      GLU 629  10.964   5.488  -0.606
   65   2HG   GLU 629           HG1      GLU 629  12.586   5.973  -1.099
   66    H    HIS 630           HN       HIS 630  13.100   3.966  -4.780
   67    HA   HIS 630           HA       HIS 630  11.332   2.991  -6.674
   68   1HB   HIS 630           HB2      HIS 630  14.322   3.162  -6.557
   69   2HB   HIS 630           HB1      HIS 630  13.540   2.374  -7.915
   70    HD1  HIS 630           HD1      HIS 630  12.958   5.733  -6.145
   71    HD2  HIS 630           HD2      HIS 630  13.433   4.067  -9.918
   72    HE1  HIS 630           HE1      HIS 630  12.755   7.650  -7.754
   73    HE2  HIS 630           HE2      HIS 630  13.257   6.647 -10.015
   74    H    ASN 631           HN       ASN 631  13.837   1.298  -4.851
   75    HA   ASN 631           HA       ASN 631  13.376  -1.247  -6.016
   76   1HB   ASN 631           HB2      ASN 631  14.707  -0.477  -3.408
   77   2HB   ASN 631           HB1      ASN 631  14.756  -2.090  -4.113
   78   1HD2  ASN 631          1HD2      ASN 631  14.841  -0.886  -6.832
   79   2HD2  ASN 631          2HD2      ASN 631  16.462  -0.336  -7.049
   80    H    TRP 632           HN       TRP 632  12.293   0.323  -3.054
   81    HA   TRP 632           HA       TRP 632  10.772  -1.760  -1.999
   82   1HB   TRP 632           HB2      TRP 632  10.892   1.173  -1.698
   83   2HB   TRP 632           HB1      TRP 632   9.360   0.437  -1.243
   84    HD1  TRP 632           HD1      TRP 632  12.771   1.111   0.096
   85    HE1  TRP 632           HE1      TRP 632  13.054  -0.051   2.385
   86    HE3  TRP 632           HE3      TRP 632   8.672  -1.899  -0.033
   87    HZ2  TRP 632           HZ2      TRP 632  11.697  -2.004   3.920
   88    HZ3  TRP 632           HZ3      TRP 632   8.230  -3.389   1.863
   89    HH2  TRP 632           HH2      TRP 632   9.701  -3.442   3.792
   90    H    ASN 633           HN       ASN 633  10.008   0.636  -4.473
   91    HA   ASN 633           HA       ASN 633   7.268   0.110  -4.768
   92   1HB   ASN 633           HB2      ASN 633   9.260   0.948  -6.894
   93   2HB   ASN 633           HB1      ASN 633   7.516   0.977  -7.093
   94   1HD2  ASN 633          1HD2      ASN 633   7.301   1.898  -4.199
   95   2HD2  ASN 633          2HD2      ASN 633   7.670   3.582  -4.281
   96    H    LYS 634           HN       LYS 634  10.093  -1.360  -6.298
   97    HA   LYS 634           HA       LYS 634   8.684  -3.093  -8.014
   98   1HB   LYS 634           HB2      LYS 634  11.446  -3.388  -6.821
   99   2HB   LYS 634           HB1      LYS 634  10.811  -4.364  -8.138
  100   1HG   LYS 634           HG2      LYS 634  10.589  -2.345  -9.515
  101   2HG   LYS 634           HG1      LYS 634  11.263  -1.387  -8.194
  102   1HD   LYS 634           HD2      LYS 634  13.339  -2.663  -8.317
  103   2HD   LYS 634           HD1      LYS 634  12.662  -3.654  -9.610
  104   1HE   LYS 634           HE2      LYS 634  13.200  -0.687  -9.711
  105   2HE   LYS 634           HE1      LYS 634  14.117  -1.949 -10.533
  106   1HZ   LYS 634           HZ1      LYS 634  12.004  -2.525 -11.711
  107   2HZ   LYS 634           HZ3      LYS 634  11.321  -1.113 -11.064
  108   3HZ   LYS 634           HZ2      LYS 634  12.648  -1.008 -12.110
  109    H    PHE 635           HN       PHE 635   9.797  -3.417  -4.696
  110    HA   PHE 635           HA       PHE 635   9.273  -6.151  -4.357
  111   1HB   PHE 635           HB2      PHE 635  10.609  -4.971  -2.742
  112   2HB   PHE 635           HB1      PHE 635   9.284  -3.875  -2.370
  113    HD1  PHE 635           HD1      PHE 635   8.516  -4.210  -0.232
  114    HD2  PHE 635           HD2      PHE 635   9.581  -7.584  -2.593
  115    HE1  PHE 635           HE1      PHE 635   7.804  -5.704   1.588
  116    HE2  PHE 635           HE2      PHE 635   8.870  -9.087  -0.779
  117    HZ   PHE 635           HZ       PHE 635   7.977  -8.121   1.338
  118    H    PHE 636           HN       PHE 636   7.215  -3.357  -3.477
  119    HA   PHE 636           HA       PHE 636   5.086  -5.013  -2.605
  120   1HB   PHE 636           HB2      PHE 636   5.291  -2.068  -3.194
  121   2HB   PHE 636           HB1      PHE 636   3.758  -2.810  -2.738
  122    HD1  PHE 636           HD1      PHE 636   4.598  -4.754  -0.684
  123    HD2  PHE 636           HD2      PHE 636   5.919  -0.780  -1.402
  124    HE1  PHE 636           HE1      PHE 636   5.207  -4.527   1.680
  125    HE2  PHE 636           HE2      PHE 636   6.533  -0.548   0.953
  126    HZ   PHE 636           HZ       PHE 636   6.213  -2.573   2.501
  127    H    ALA 637           HN       ALA 637   5.901  -3.553  -5.675
  128    HA   ALA 637           HA       ALA 637   3.420  -3.824  -6.960
  129   1HB   ALA 637           HB3      ALA 637   6.156  -3.973  -8.215
  130   2HB   ALA 637           HB2      ALA 637   4.640  -3.623  -9.046
  131   3HB   ALA 637           HB1      ALA 637   5.276  -2.487  -7.853
  132    H    SER 638           HN       SER 638   5.741  -6.207  -6.068
  133    HA   SER 638           HA       SER 638   5.109  -8.099  -8.088
  134   1HB   SER 638           HB2      SER 638   6.419  -8.481  -5.389
  135   2HB   SER 638           HB1      SER 638   6.365  -9.693  -6.672
  136    HG   SER 638           HG       SER 638   8.065  -7.642  -6.362
  137    H    PHE 639           HN       PHE 639   3.891  -7.614  -4.767
  138    HA   PHE 639           HA       PHE 639   2.099  -9.889  -5.262
  139   1HB   PHE 639           HB2      PHE 639   1.829  -9.961  -2.750
  140   2HB   PHE 639           HB1      PHE 639   3.382 -10.460  -3.398
  141    HD1  PHE 639           HD1      PHE 639   1.588  -7.834  -1.588
  142    HD2  PHE 639           HD2      PHE 639   5.407  -9.246  -2.855
  143    HE1  PHE 639           HE1      PHE 639   2.684  -6.190  -0.131
  144    HE2  PHE 639           HE2      PHE 639   6.495  -7.602  -1.399
  145    HZ   PHE 639           HZ       PHE 639   5.231  -6.274   0.104
  146    H    VAL 640           HN       VAL 640   2.145  -6.545  -4.198
  147    HA   VAL 640           HA       VAL 640  -0.338  -6.369  -3.021
  148    HB   VAL 640           HB       VAL 640   1.298  -4.348  -4.526
  149   1HG1  VAL 640          3HG1      VAL 640  -1.049  -3.756  -4.935
  150   2HG1  VAL 640          2HG1      VAL 640  -1.371  -3.831  -3.203
  151   3HG1  VAL 640          1HG1      VAL 640  -0.277  -2.605  -3.843
  152   1HG2  VAL 640          2HG2      VAL 640   2.022  -5.053  -2.300
  153   2HG2  VAL 640          1HG2      VAL 640   1.517  -3.363  -2.302
  154   3HG2  VAL 640          3HG2      VAL 640   0.451  -4.602  -1.639
  155    HA   PRO 641           HA       PRO 641  -2.396  -5.281  -7.326
  156   1HB   PRO 641           HB2      PRO 641  -0.551  -6.740  -9.138
  157   2HB   PRO 641           HB1      PRO 641  -1.395  -5.207  -9.385
  158   1HG   PRO 641           HG2      PRO 641   1.211  -5.235  -8.887
  159   2HG   PRO 641           HG1      PRO 641   0.167  -4.004  -8.148
  160   1HD   PRO 641           HD2      PRO 641   1.304  -6.499  -6.939
  161   2HD   PRO 641           HD1      PRO 641   1.159  -4.873  -6.236
  162    H    ASN 642           HN       ASN 642  -0.729  -8.316  -6.703
  163    HA   ASN 642           HA       ASN 642  -2.637  -9.929  -8.107
  164   1HB   ASN 642           HB2      ASN 642  -0.378 -10.557  -6.226
  165   2HB   ASN 642           HB1      ASN 642  -1.469 -11.812  -6.807
  166   1HD2  ASN 642          1HD2      ASN 642   0.946  -9.471  -7.721
  167   2HD2  ASN 642          2HD2      ASN 642   1.327 -10.176  -9.253
  168    H    LEU 643           HN       LEU 643  -2.101  -9.090  -4.713
  169    HA   LEU 643           HA       LEU 643  -4.002 -10.828  -3.602
  170   1HB   LEU 643           HB2      LEU 643  -2.648  -8.329  -2.712
  171   2HB   LEU 643           HB1      LEU 643  -4.053  -8.846  -1.805
  172    HG   LEU 643           HG       LEU 643  -2.944 -11.033  -1.395
  173   1HD1  LEU 643          1HD1      LEU 643  -0.568  -9.707  -2.691
  174   2HD1  LEU 643          3HD1      LEU 643  -0.533 -11.225  -1.795
  175   3HD1  LEU 643          2HD1      LEU 643  -1.451 -11.111  -3.297
  176   1HD2  LEU 643          2HD2      LEU 643  -2.846  -9.218   0.245
  177   2HD2  LEU 643          1HD2      LEU 643  -1.382 -10.202   0.271
  178   3HD2  LEU 643          3HD2      LEU 643  -1.369  -8.621  -0.510
  179    H    ILE 644           HN       ILE 644  -4.314  -7.397  -4.456
  180    HA   ILE 644           HA       ILE 644  -7.092  -7.334  -3.775
  181    HB   ILE 644           HB       ILE 644  -5.688  -5.227  -5.385
  182   1HG1  ILE 644          2HG1      ILE 644  -5.659  -5.596  -2.384
  183   2HG1  ILE 644          1HG1      ILE 644  -4.273  -5.816  -3.457
  184   1HG2  ILE 644          3HG2      ILE 644  -7.927  -5.147  -3.365
  185   2HG2  ILE 644          2HG2      ILE 644  -7.215  -3.729  -4.134
  186   3HG2  ILE 644          1HG2      ILE 644  -8.077  -4.926  -5.109
  187   1HD1  ILE 644          1HD1      ILE 644  -5.735  -3.228  -3.001
  188   2HD1  ILE 644          3HD1      ILE 644  -4.172  -3.675  -2.314
  189   3HD1  ILE 644          2HD1      ILE 644  -4.340  -3.458  -4.057
  190    H    LYS 645           HN       LYS 645  -5.306  -8.064  -6.626
  191    HA   LYS 645           HA       LYS 645  -6.924  -7.416  -8.725
  192   1HB   LYS 645           HB2      LYS 645  -4.744  -8.715  -8.778
  193   2HB   LYS 645           HB1      LYS 645  -5.689 -10.155  -8.433
  194   1HG   LYS 645           HG2      LYS 645  -5.242 -10.019 -10.794
  195   2HG   LYS 645           HG1      LYS 645  -6.967  -9.787 -10.505
  196   1HD   LYS 645           HD2      LYS 645  -5.440  -7.294 -10.507
  197   2HD   LYS 645           HD1      LYS 645  -5.369  -8.167 -12.039
  198   1HE   LYS 645           HE2      LYS 645  -7.929  -7.535 -10.584
  199   2HE   LYS 645           HE1      LYS 645  -7.243  -6.517 -11.850
  200   1HZ   LYS 645           HZ2      LYS 645  -8.009  -9.372 -12.205
  201   2HZ   LYS 645           HZ1      LYS 645  -8.959  -8.048 -12.681
  202   3HZ   LYS 645           HZ3      LYS 645  -7.449  -8.316 -13.411
  203    H    LYS 646           HN       LYS 646  -7.433 -10.037  -6.403
  204    HA   LYS 646           HA       LYS 646 -10.240 -10.042  -6.876
  205   1HB   LYS 646           HB2      LYS 646  -9.132 -11.412  -8.825
  206   2HB   LYS 646           HB1      LYS 646  -8.955 -12.659  -7.601
  207   1HG   LYS 646           HG2      LYS 646 -11.581 -11.386  -8.353
  208   2HG   LYS 646           HG1      LYS 646 -10.975 -12.891  -9.039
  209   1HD   LYS 646           HD2      LYS 646 -10.928 -13.869  -6.774
  210   2HD   LYS 646           HD1      LYS 646 -11.606 -12.373  -6.133
  211   1HE   LYS 646           HE2      LYS 646 -13.584 -12.688  -7.570
  212   2HE   LYS 646           HE1      LYS 646 -12.904 -14.211  -8.140
  213   1HZ   LYS 646           HZ2      LYS 646 -13.616 -13.592  -5.324
  214   2HZ   LYS 646           HZ1      LYS 646 -14.528 -14.552  -6.381
  215   3HZ   LYS 646           HZ3      LYS 646 -12.991 -15.066  -5.886
  216    H    ASN 647           HN       ASN 647  -9.909  -9.607  -4.563
  217    HA   ASN 647           HA       ASN 647  -9.825 -12.170  -3.103
  218   1HB   ASN 647           HB2      ASN 647  -7.592 -11.010  -2.961
  219   2HB   ASN 647           HB1      ASN 647  -8.397  -9.660  -2.175
  220   1HD2  ASN 647          1HD2      ASN 647  -7.387 -12.973  -1.862
  221   2HD2  ASN 647          2HD2      ASN 647  -7.550 -13.073  -0.142
  222    HA   PRO 648           HA       PRO 648 -13.428 -10.602  -0.853
  223   1HB   PRO 648           HB2      PRO 648 -12.297 -10.867   1.748
  224   2HB   PRO 648           HB1      PRO 648 -13.437 -11.952   0.952
  225   1HG   PRO 648           HG2      PRO 648 -10.496 -12.160   1.204
  226   2HG   PRO 648           HG1      PRO 648 -11.708 -13.441   1.028
  227   1HD   PRO 648           HD2      PRO 648 -10.069 -12.759  -0.986
  228   2HD   PRO 648           HD1      PRO 648 -11.753 -13.247  -1.283
  229    H    GLN 649           HN       GLN 649 -10.185  -9.367  -0.382
  230    HA   GLN 649           HA       GLN 649 -10.994  -7.062   1.107
  231   1HB   GLN 649           HB2      GLN 649  -8.681  -6.328   0.756
  232   2HB   GLN 649           HB1      GLN 649  -8.754  -7.986   1.332
  233   1HG   GLN 649           HG2      GLN 649  -8.492  -8.707  -1.065
  234   2HG   GLN 649           HG1      GLN 649  -8.143  -7.022  -1.444
  235   1HE2  GLN 649          1HE2      GLN 649  -7.180  -8.569   1.538
  236   2HE2  GLN 649          2HE2      GLN 649  -5.485  -8.558   1.215
  237    H    SER 650           HN       SER 650 -10.281  -7.757  -2.304
  238    HA   SER 650           HA       SER 650 -10.835  -5.109  -3.196
  239   1HB   SER 650           HB2      SER 650 -10.888  -6.112  -5.448
  240   2HB   SER 650           HB1      SER 650  -9.452  -6.585  -4.543
  241    HG   SER 650           HG       SER 650 -11.331  -8.132  -5.636
  242    H    LYS 651           HN       LYS 651 -12.700  -7.948  -2.530
  243    HA   LYS 651           HA       LYS 651 -15.017  -7.293  -3.989
  244   1HB   LYS 651           HB2      LYS 651 -14.437  -9.535  -2.981
  245   2HB   LYS 651           HB1      LYS 651 -14.935  -8.885  -1.427
  246   1HG   LYS 651           HG2      LYS 651 -16.688 -10.226  -2.512
  247   2HG   LYS 651           HG1      LYS 651 -17.184  -8.554  -2.235
  248   1HD   LYS 651           HD2      LYS 651 -16.703  -8.007  -4.560
  249   2HD   LYS 651           HD1      LYS 651 -16.142  -9.656  -4.846
  250   1HE   LYS 651           HE2      LYS 651 -18.363 -10.514  -4.371
  251   2HE   LYS 651           HE1      LYS 651 -18.934  -8.889  -4.001
  252   1HZ   LYS 651           HZ3      LYS 651 -17.847  -9.677  -6.649
  253   2HZ   LYS 651           HZ2      LYS 651 -19.499  -9.704  -6.268
  254   3HZ   LYS 651           HZ1      LYS 651 -18.647  -8.237  -6.248
  255    H    GLN 652           HN       GLN 652 -13.689  -5.885  -1.196
  256    HA   GLN 652           HA       GLN 652 -16.273  -4.626  -0.550
  257   1HB   GLN 652           HB2      GLN 652 -15.355  -4.026   1.608
  258   2HB   GLN 652           HB1      GLN 652 -15.156  -5.753   1.356
  259   1HG   GLN 652           HG2      GLN 652 -12.821  -5.446   0.823
  260   2HG   GLN 652           HG1      GLN 652 -12.995  -3.698   0.943
  261   1HE2  GLN 652          1HE2      GLN 652 -11.468  -3.504   2.551
  262   2HE2  GLN 652          2HE2      GLN 652 -11.744  -4.037   4.171
  263    H    PHE 653           HN       PHE 653 -13.815  -4.231  -2.485
  264    HA   PHE 653           HA       PHE 653 -13.271  -1.390  -2.007
  265   1HB   PHE 653           HB2      PHE 653 -12.003  -3.611  -3.398
  266   2HB   PHE 653           HB1      PHE 653 -12.067  -2.153  -4.379
  267    HD1  PHE 653           HD1      PHE 653 -11.848  -0.193  -2.064
  268    HD2  PHE 653           HD2      PHE 653  -9.680  -3.703  -3.079
  269    HE1  PHE 653           HE1      PHE 653  -9.923   0.641  -0.811
  270    HE2  PHE 653           HE2      PHE 653  -7.737  -2.867  -1.827
  271    HZ   PHE 653           HZ       PHE 653  -7.763  -0.610  -0.942
  272    H    ASP 654           HN       ASP 654 -13.523   0.148  -3.691
  273    HA   ASP 654           HA       ASP 654 -15.624  -0.487  -5.635
  274   1HB   ASP 654           HB2      ASP 654 -15.824   1.556  -4.099
  275   2HB   ASP 654           HB1      ASP 654 -14.489   2.252  -5.008
  276    H    HIS 655           HN       HIS 655 -15.020   1.182  -7.707
  277    HA   HIS 655           HA       HIS 655 -12.990  -0.444  -8.935
  278   1HB   HIS 655           HB2      HIS 655 -14.401   1.997 -10.048
  279   2HB   HIS 655           HB1      HIS 655 -13.468   0.829 -10.977
  280    HD1  HIS 655           HD1      HIS 655 -14.571  -1.509 -11.390
  281    HD2  HIS 655           HD2      HIS 655 -17.001   1.243  -9.431
  282    HE1  HIS 655           HE1      HIS 655 -16.900  -2.449 -11.514
  283    HE2  HIS 655           HE2      HIS 655 -18.354  -0.785 -10.296
  284    H    GLU 656           HN       GLU 656 -13.274   3.004  -8.214
  285    HA   GLU 656           HA       GLU 656 -10.620   3.632  -9.002
  286   1HB   GLU 656           HB2      GLU 656 -11.067   5.790  -7.820
  287   2HB   GLU 656           HB1      GLU 656 -12.254   5.366  -9.044
  288   1HG   GLU 656           HG2      GLU 656 -13.665   4.439  -7.168
  289   2HG   GLU 656           HG1      GLU 656 -12.535   5.223  -6.063
  290    H    ASN 657           HN       ASN 657 -12.111   2.577  -6.060
  291    HA   ASN 657           HA       ASN 657 -10.230   3.375  -4.147
  292   1HB   ASN 657           HB2      ASN 657 -11.998   0.926  -4.266
  293   2HB   ASN 657           HB1      ASN 657 -11.077   1.400  -2.849
  294   1HD2  ASN 657          1HD2      ASN 657 -13.002   1.442  -1.706
  295   2HD2  ASN 657          2HD2      ASN 657 -14.099   2.760  -1.842
  296    H    ILE 658           HN       ILE 658 -10.532   0.482  -6.100
  297    HA   ILE 658           HA       ILE 658  -8.372  -0.929  -4.974
  298    HB   ILE 658           HB       ILE 658 -10.177  -1.261  -7.268
  299   1HG1  ILE 658          2HG1      ILE 658  -8.940  -3.105  -5.218
  300   2HG1  ILE 658          1HG1      ILE 658 -10.559  -2.415  -5.172
  301   1HG2  ILE 658          2HG2      ILE 658  -7.454  -2.575  -7.325
  302   2HG2  ILE 658          1HG2      ILE 658  -8.821  -3.008  -8.353
  303   3HG2  ILE 658          3HG2      ILE 658  -8.082  -1.412  -8.494
  304   1HD1  ILE 658          3HD1      ILE 658 -11.152  -3.698  -7.164
  305   2HD1  ILE 658          2HD1      ILE 658  -9.540  -4.411  -7.171
  306   3HD1  ILE 658          1HD1      ILE 658 -10.634  -4.725  -5.827
  307    H    LYS 659           HN       LYS 659  -8.563   1.251  -7.757
  308    HA   LYS 659           HA       LYS 659  -5.930   0.832  -8.701
  309   1HB   LYS 659           HB2      LYS 659  -7.555   3.374  -8.903
  310   2HB   LYS 659           HB1      LYS 659  -6.213   2.904  -9.933
  311   1HG   LYS 659           HG2      LYS 659  -8.918   1.598  -9.786
  312   2HG   LYS 659           HG1      LYS 659  -8.287   2.589 -11.100
  313   1HD   LYS 659           HD2      LYS 659  -6.485   0.892 -11.418
  314   2HD   LYS 659           HD1      LYS 659  -7.294  -0.119 -10.218
  315   1HE   LYS 659           HE2      LYS 659  -7.988  -0.884 -12.352
  316   2HE   LYS 659           HE1      LYS 659  -9.347  -0.007 -11.651
  317   1HZ   LYS 659           HZ1      LYS 659  -8.642   1.946 -12.974
  318   2HZ   LYS 659           HZ3      LYS 659  -7.462   0.980 -13.720
  319   3HZ   LYS 659           HZ2      LYS 659  -9.108   0.622 -13.927
  320    H    GLN 660           HN       GLN 660  -7.339   3.251  -6.549
  321    HA   GLN 660           HA       GLN 660  -5.029   4.732  -6.027
  322   1HB   GLN 660           HB2      GLN 660  -7.423   4.246  -4.249
  323   2HB   GLN 660           HB1      GLN 660  -6.205   5.486  -3.982
  324   1HG   GLN 660           HG2      GLN 660  -6.818   6.586  -6.038
  325   2HG   GLN 660           HG1      GLN 660  -7.969   5.303  -6.411
  326   1HE2  GLN 660          1HE2      GLN 660  -9.712   6.682  -6.479
  327   2HE2  GLN 660          2HE2      GLN 660 -10.388   7.396  -5.056
  328    H    CYS 661           HN       CYS 661  -6.422   1.942  -4.337
  329    HA   CYS 661           HA       CYS 661  -4.700   1.950  -2.152
  330   1HB   CYS 661           HB2      CYS 661  -6.747   0.622  -2.203
  331   2HB   CYS 661           HB1      CYS 661  -6.052  -0.419  -3.437
  332    HG   CYS 661           HG       CYS 661  -3.864  -0.596  -1.168
  333    H    ALA 662           HN       ALA 662  -4.446   0.005  -5.146
  334    HA   ALA 662           HA       ALA 662  -2.143  -1.381  -4.497
  335   1HB   ALA 662           HB3      ALA 662  -2.980  -0.426  -7.233
  336   2HB   ALA 662           HB1      ALA 662  -3.518  -1.908  -6.441
  337   3HB   ALA 662           HB2      ALA 662  -1.826  -1.717  -6.897
  338    H    LYS 663           HN       LYS 663  -2.337   1.702  -6.317
  339    HA   LYS 663           HA       LYS 663   0.476   1.964  -6.541
  340   1HB   LYS 663           HB2      LYS 663  -1.756   3.968  -6.790
  341   2HB   LYS 663           HB1      LYS 663  -0.068   4.406  -7.005
  342   1HG   LYS 663           HG2      LYS 663   0.044   2.629  -8.785
  343   2HG   LYS 663           HG1      LYS 663  -1.717   2.529  -8.667
  344   1HD   LYS 663           HD2      LYS 663  -1.933   4.856  -9.263
  345   2HD   LYS 663           HD1      LYS 663  -0.182   5.064  -9.230
  346   1HE   LYS 663           HE2      LYS 663  -0.013   3.408 -11.077
  347   2HE   LYS 663           HE1      LYS 663  -1.776   3.380 -11.157
  348   1HZ   LYS 663           HZ2      LYS 663  -1.739   5.762 -11.639
  349   2HZ   LYS 663           HZ1      LYS 663  -0.042   5.754 -11.605
  350   3HZ   LYS 663           HZ3      LYS 663  -0.868   4.882 -12.803
  351    H    ASP 664           HN       ASP 664  -1.853   3.156  -4.172
  352    HA   ASP 664           HA       ASP 664   0.018   4.949  -2.983
  353   1HB   ASP 664           HB2      ASP 664  -2.477   5.256  -2.966
  354   2HB   ASP 664           HB1      ASP 664  -2.554   3.987  -1.747
  355    H    ILE 665           HN       ILE 665  -1.035   1.645  -2.238
  356    HA   ILE 665           HA       ILE 665   0.221   1.554   0.303
  357    HB   ILE 665           HB       ILE 665  -1.445  -0.121  -0.237
  358   1HG1  ILE 665          2HG1      ILE 665   1.100  -1.721  -0.035
  359   2HG1  ILE 665          1HG1      ILE 665   0.626  -0.630   1.278
  360   1HG2  ILE 665          1HG2      ILE 665  -1.012  -0.348  -2.619
  361   2HG2  ILE 665          3HG2      ILE 665   0.513  -1.164  -2.272
  362   3HG2  ILE 665          2HG2      ILE 665  -1.016  -1.921  -1.820
  363   1HD1  ILE 665          2HD1      ILE 665  -1.521  -1.833   1.433
  364   2HD1  ILE 665          1HD1      ILE 665  -0.952  -2.946   0.188
  365   3HD1  ILE 665          3HD1      ILE 665  -0.121  -2.867   1.742
  366    H    VAL 666           HN       VAL 666   1.372   0.826  -2.969
  367    HA   VAL 666           HA       VAL 666   3.872  -0.226  -2.303
  368    HB   VAL 666           HB       VAL 666   3.051   1.465  -4.678
  369   1HG1  VAL 666          1HG1      VAL 666   5.510  -0.228  -4.281
  370   2HG1  VAL 666          3HG1      VAL 666   5.008   0.502  -5.807
  371   3HG1  VAL 666          2HG1      VAL 666   5.451   1.527  -4.442
  372   1HG2  VAL 666          2HG2      VAL 666   1.788  -0.605  -4.467
  373   2HG2  VAL 666          1HG2      VAL 666   2.889  -0.683  -5.844
  374   3HG2  VAL 666          3HG2      VAL 666   3.291  -1.522  -4.346
  375    H    LYS 667           HN       LYS 667   2.774   3.099  -2.685
  376    HA   LYS 667           HA       LYS 667   5.330   4.277  -2.160
  377   1HB   LYS 667           HB2      LYS 667   3.788   5.478  -3.514
  378   2HB   LYS 667           HB1      LYS 667   2.525   5.363  -2.301
  379   1HG   LYS 667           HG2      LYS 667   3.775   6.862  -0.842
  380   2HG   LYS 667           HG1      LYS 667   5.063   6.961  -2.044
  381   1HD   LYS 667           HD2      LYS 667   3.503   8.899  -2.092
  382   2HD   LYS 667           HD1      LYS 667   3.590   8.023  -3.622
  383   1HE   LYS 667           HE2      LYS 667   1.287   8.599  -3.086
  384   2HE   LYS 667           HE1      LYS 667   1.514   6.851  -3.066
  385   1HZ   LYS 667           HZ2      LYS 667   1.650   6.943  -0.652
  386   2HZ   LYS 667           HZ1      LYS 667   1.424   8.621  -0.678
  387   3HZ   LYS 667           HZ3      LYS 667   0.182   7.584  -1.198
  388    H    ILE 668           HN       ILE 668   2.407   3.769  -0.187
  389    HA   ILE 668           HA       ILE 668   3.443   5.420   1.916
  390    HB   ILE 668           HB       ILE 668   1.006   5.309   1.352
  391   1HG1  ILE 668          2HG1      ILE 668   0.257   5.383   3.719
  392   2HG1  ILE 668          1HG1      ILE 668   1.804   4.697   4.202
  393   1HG2  ILE 668          3HG2      ILE 668   1.149   2.652   2.761
  394   2HG2  ILE 668          2HG2      ILE 668  -0.336   3.499   2.327
  395   3HG2  ILE 668          1HG2      ILE 668   0.751   2.917   1.064
  396   1HD1  ILE 668          1HD1      ILE 668   2.952   6.657   3.315
  397   2HD1  ILE 668          3HD1      ILE 668   1.402   7.344   2.829
  398   3HD1  ILE 668          2HD1      ILE 668   1.761   7.099   4.539
  399    H    LEU 669           HN       LEU 669   3.111   1.911   1.425
  400    HA   LEU 669           HA       LEU 669   3.573   1.250   4.135
  401   1HB   LEU 669           HB2      LEU 669   2.822  -0.196   1.976
  402   2HB   LEU 669           HB1      LEU 669   4.503  -0.679   2.096
  403    HG   LEU 669           HG       LEU 669   2.509  -0.900   4.357
  404   1HD1  LEU 669          1HD1      LEU 669   3.495  -2.994   2.428
  405   2HD1  LEU 669          3HD1      LEU 669   2.537  -3.310   3.876
  406   3HD1  LEU 669          2HD1      LEU 669   1.852  -2.364   2.555
  407   1HD2  LEU 669          1HD2      LEU 669   4.854  -0.726   5.079
  408   2HD2  LEU 669          3HD2      LEU 669   4.178  -2.322   5.404
  409   3HD2  LEU 669          2HD2      LEU 669   5.268  -2.087   4.039
  410    H    THR 670           HN       THR 670   5.780   1.645   1.371
  411    HA   THR 670           HA       THR 670   8.107   1.017   2.849
  412    HB   THR 670           HB       THR 670   8.285   0.988   0.457
  413    HG1  THR 670           HG1      THR 670  10.179   1.615   1.575
  414   1HG2  THR 670          3HG2      THR 670   7.683   3.942   0.523
  415   2HG2  THR 670          2HG2      THR 670   8.195   3.032  -0.898
  416   3HG2  THR 670          1HG2      THR 670   6.646   2.676  -0.136
  417    H    THR 671           HN       THR 671   6.237   3.967   2.472
  418    HA   THR 671           HA       THR 671   8.045   5.766   3.628
  419    HB   THR 671           HB       THR 671   5.028   5.802   3.897
  420    HG1  THR 671           HG1      THR 671   5.828   5.724   1.691
  421   1HG2  THR 671          1HG2      THR 671   6.206   7.344   5.425
  422   2HG2  THR 671          3HG2      THR 671   7.036   8.056   4.040
  423   3HG2  THR 671          2HG2      THR 671   5.284   8.205   4.190
  424    H    LYS 672           HN       LYS 672   5.851   3.417   5.121
  425    HA   LYS 672           HA       LYS 672   6.260   4.252   7.813
  426   1HB   LYS 672           HB2      LYS 672   5.248   1.741   6.526
  427   2HB   LYS 672           HB1      LYS 672   5.667   1.713   8.230
  428   1HG   LYS 672           HG2      LYS 672   3.343   2.079   8.097
  429   2HG   LYS 672           HG1      LYS 672   4.070   3.617   8.556
  430   1HD   LYS 672           HD2      LYS 672   3.737   4.536   6.423
  431   2HD   LYS 672           HD1      LYS 672   3.441   2.956   5.696
  432   1HE   LYS 672           HE2      LYS 672   1.370   4.239   5.948
  433   2HE   LYS 672           HE1      LYS 672   1.342   2.763   6.908
  434   1HZ   LYS 672           HZ1      LYS 672   1.944   5.481   7.952
  435   2HZ   LYS 672           HZ3      LYS 672   0.467   4.664   8.125
  436   3HZ   LYS 672           HZ2      LYS 672   1.859   4.054   8.873
  437    H    GLU 673           HN       GLU 673   7.739   1.811   5.754
  438    HA   GLU 673           HA       GLU 673   9.486   0.715   7.665
  439   1HB   GLU 673           HB2      GLU 673   9.897   0.834   4.673
  440   2HB   GLU 673           HB1      GLU 673  10.586  -0.335   5.791
  441   1HG   GLU 673           HG2      GLU 673   7.627  -0.062   5.375
  442   2HG   GLU 673           HG1      GLU 673   8.634  -1.100   4.370
  443    H    LEU 674           HN       LEU 674   9.821   3.361   5.371
  444    HA   LEU 674           HA       LEU 674  12.603   3.789   5.908
  445   1HB   LEU 674           HB2      LEU 674  10.571   4.878   4.121
  446   2HB   LEU 674           HB1      LEU 674  11.672   6.102   4.724
  447    HG   LEU 674           HG       LEU 674  13.568   4.999   3.769
  448   1HD1  LEU 674          1HD1      LEU 674  12.905   2.687   4.304
  449   2HD1  LEU 674          3HD1      LEU 674  11.738   2.735   2.981
  450   3HD1  LEU 674          2HD1      LEU 674  13.466   2.866   2.642
  451   1HD2  LEU 674          1HD2      LEU 674  12.211   6.341   2.237
  452   2HD2  LEU 674          3HD2      LEU 674  13.014   5.007   1.409
  453   3HD2  LEU 674          2HD2      LEU 674  11.296   4.899   1.794
  454    H    LYS 675           HN       LYS 675   9.605   5.048   7.216
  455    HA   LYS 675           HA       LYS 675  10.856   7.126   8.711
  456   1HB   LYS 675           HB2      LYS 675   8.203   5.785   8.781
  457   2HB   LYS 675           HB1      LYS 675   8.725   6.631  10.232
  458   1HG   LYS 675           HG2      LYS 675   9.093   8.662   8.840
  459   2HG   LYS 675           HG1      LYS 675   8.389   7.790   7.476
  460   1HD   LYS 675           HD2      LYS 675   6.283   7.654   8.512
  461   2HD   LYS 675           HD1      LYS 675   6.940   8.099  10.089
  462   1HE   LYS 675           HE2      LYS 675   7.423  10.343   9.256
  463   2HE   LYS 675           HE1      LYS 675   6.792   9.896   7.671
  464   1HZ   LYS 675           HZ2      LYS 675   5.126   9.694  10.108
  465   2HZ   LYS 675           HZ1      LYS 675   5.248  11.141   9.232
  466   3HZ   LYS 675           HZ3      LYS 675   4.631   9.752   8.484
  467    H    LYS 676           HN       LYS 676  10.364   3.704   9.163
  468    HA   LYS 676           HA       LYS 676  11.346   3.642  11.846
  469   1HB   LYS 676           HB2      LYS 676   9.986   1.817  10.867
  470   2HB   LYS 676           HB1      LYS 676  11.304   1.443   9.767
  471   1HG   LYS 676           HG2      LYS 676  11.188  -0.087  11.692
  472   2HG   LYS 676           HG1      LYS 676  12.719   0.783  11.596
  473   1HD   LYS 676           HD2      LYS 676  11.982   0.749  13.884
  474   2HD   LYS 676           HD1      LYS 676  11.858   2.397  13.268
  475   1HE   LYS 676           HE2      LYS 676   9.897   1.927  14.555
  476   2HE   LYS 676           HE1      LYS 676   9.437   1.985  12.856
  477   1HZ   LYS 676           HZ1      LYS 676  10.071  -0.574  14.201
  478   2HZ   LYS 676           HZ3      LYS 676   8.520   0.104  14.272
  479   3HZ   LYS 676           HZ2      LYS 676   9.185  -0.319  12.773
  480    H    ASP 677           HN       ASP 677  12.795   3.047   8.659
  481    HA   ASP 677           HA       ASP 677  15.233   4.319   9.524
  482   1HB   ASP 677           HB2      ASP 677  15.556   1.911  10.207
  483   2HB   ASP 677           HB1      ASP 677  15.413   1.472   8.506
  484    H    SER 678           HN       SER 678  16.022   5.473   7.817
  485    HA   SER 678           HA       SER 678  14.393   5.398   5.470
  486   1HB   SER 678           HB2      SER 678  15.651   7.392   4.744
  487   2HB   SER 678           HB1      SER 678  15.024   7.557   6.379
  488    HG   SER 678           HG       SER 678  17.285   6.696   6.932
  489    H    SER 679           HN       SER 679  17.151   3.753   6.331
  490    HA   SER 679           HA       SER 679  17.798   3.293   3.493
  491   1HB   SER 679           HB2      SER 679  19.653   2.955   5.857
  492   2HB   SER 679           HB1      SER 679  20.073   2.778   4.152
  493    HG   SER 679           HG       SER 679  20.481   4.885   5.400
  494    H    ARG 680           HN       ARG 680  15.774   2.048   5.228
  495    HA   ARG 680           HA       ARG 680  16.757  -0.579   5.889
  496   1HB   ARG 680           HB2      ARG 680  15.001   0.485   7.230
  497   2HB   ARG 680           HB1      ARG 680  13.944   0.528   5.826
  498   1HG   ARG 680           HG2      ARG 680  13.911  -1.909   5.772
  499   2HG   ARG 680           HG1      ARG 680  14.980  -1.953   7.176
  500   1HD   ARG 680           HD2      ARG 680  13.311  -0.816   8.514
  501   2HD   ARG 680           HD1      ARG 680  12.252  -0.679   7.112
  502    HE   ARG 680           HE       ARG 680  12.982  -3.387   7.710
  503   1HH1  ARG 680          1HH1      ARG 680  10.819  -0.779   8.559
  504   2HH1  ARG 680          2HH1      ARG 680   9.523  -1.821   9.043
  505   1HH2  ARG 680          1HH2      ARG 680  11.311  -4.785   8.405
  506   2HH2  ARG 680          2HH2      ARG 680   9.818  -4.111   8.989
  507    H    ALA 681           HN       ALA 681  17.337  -1.776   4.189
  508    HA   ALA 681           HA       ALA 681  16.240  -1.649   1.612
  509   1HB   ALA 681           HB2      ALA 681  17.708  -3.946   2.903
  510   2HB   ALA 681           HB1      ALA 681  17.474  -3.699   1.174
  511   3HB   ALA 681           HB3      ALA 681  18.458  -2.568   2.099
  512    HA   PRO 682           HA       PRO 682  12.403  -3.791   2.087
  513   1HB   PRO 682           HB2      PRO 682  12.120  -4.541  -0.547
  514   2HB   PRO 682           HB1      PRO 682  11.679  -2.957   0.093
  515   1HG   PRO 682           HG2      PRO 682  14.110  -3.784  -1.412
  516   2HG   PRO 682           HG1      PRO 682  13.203  -2.265  -1.484
  517   1HD   PRO 682           HD2      PRO 682  15.555  -2.501  -0.160
  518   2HD   PRO 682           HD1      PRO 682  14.272  -1.388   0.351
  519    HA   PRO 683           HA       PRO 683  13.705  -8.073   2.520
  520   1HB   PRO 683           HB2      PRO 683  11.078  -9.013   2.596
  521   2HB   PRO 683           HB1      PRO 683  12.037  -8.537   4.000
  522   1HG   PRO 683           HG2      PRO 683   9.966  -6.999   2.507
  523   2HG   PRO 683           HG1      PRO 683  10.316  -7.024   4.245
  524   1HD   PRO 683           HD2      PRO 683  11.080  -4.974   2.689
  525   2HD   PRO 683           HD1      PRO 683  12.094  -5.546   4.032
  526    H    ASP 684           HN       ASP 684  13.748  -9.840   1.077
  527    HA   ASP 684           HA       ASP 684  13.767  -9.015  -1.580
  528   1HB   ASP 684           HB2      ASP 684  13.827 -11.784  -0.389
  529   2HB   ASP 684           HB1      ASP 684  14.042 -11.475  -2.113
  530    H    ASP 685           HN       ASP 685  11.433 -11.189   0.006
  531    HA   ASP 685           HA       ASP 685   9.437 -10.440  -1.986
  532   1HB   ASP 685           HB2      ASP 685  10.742 -12.457  -2.817
  533   2HB   ASP 685           HB1      ASP 685  10.080 -13.336  -1.450
  534    H    LEU 686           HN       LEU 686   7.355 -11.571  -1.502
  535    HA   LEU 686           HA       LEU 686   6.568 -10.784   1.122
  536   1HB   LEU 686           HB2      LEU 686   5.341 -10.619  -1.137
  537   2HB   LEU 686           HB1      LEU 686   4.936 -12.304  -0.897
  538    HG   LEU 686           HG       LEU 686   3.202 -10.540  -0.258
  539   1HD1  LEU 686          1HD1      LEU 686   4.038 -12.656   1.693
  540   2HD1  LEU 686          3HD1      LEU 686   2.466 -11.861   1.662
  541   3HD1  LEU 686          2HD1      LEU 686   2.975 -12.863   0.302
  542   1HD2  LEU 686          1HD2      LEU 686   5.047 -10.292   2.115
  543   2HD2  LEU 686          3HD2      LEU 686   4.660  -9.024   0.950
  544   3HD2  LEU 686          2HD2      LEU 686   3.406  -9.653   2.020
  545    H    THR 687           HN       THR 687   7.543 -12.077   2.599
  546    HA   THR 687           HA       THR 687   7.183 -14.956   2.500
  547    HB   THR 687           HB       THR 687   8.461 -14.719   4.767
  548    HG1  THR 687           HG1      THR 687   9.613 -12.427   3.758
  549   1HG2  THR 687          3HG2      THR 687   9.776 -14.044   2.132
  550   2HG2  THR 687          2HG2      THR 687  10.605 -14.645   3.567
  551   3HG2  THR 687          1HG2      THR 687   9.435 -15.666   2.733
  552    H    LYS 688           HN       LYS 688   6.609 -15.945   4.779
  553    HA   LYS 688           HA       LYS 688   3.896 -15.436   5.151
  554   1HB   LYS 688           HB2      LYS 688   5.918 -16.947   6.779
  555   2HB   LYS 688           HB1      LYS 688   4.261 -16.778   7.338
  556   1HG   LYS 688           HG2      LYS 688   4.474 -18.875   6.219
  557   2HG   LYS 688           HG1      LYS 688   3.493 -17.808   5.216
  558   1HD   LYS 688           HD2      LYS 688   5.451 -17.334   3.818
  559   2HD   LYS 688           HD1      LYS 688   6.423 -18.412   4.823
  560   1HE   LYS 688           HE2      LYS 688   3.972 -19.244   3.275
  561   2HE   LYS 688           HE1      LYS 688   5.632 -19.463   2.720
  562   1HZ   LYS 688           HZ3      LYS 688   4.518 -20.623   5.217
  563   2HZ   LYS 688           HZ2      LYS 688   4.691 -21.463   3.754
  564   3HZ   LYS 688           HZ1      LYS 688   6.063 -20.900   4.577
  565    H    GLY 689           HN       GLY 689   6.660 -14.422   7.138
  566   1HA   GLY 689           HA1      GLY 689   6.839 -12.826   8.784
  567   2HA   GLY 689           HA2      GLY 689   5.167 -13.188   9.187
  568    H    LYS 690           HN       LYS 690   6.690 -11.743   6.309
  569    HA   LYS 690           HA       LYS 690   5.770  -9.116   6.852
  570   1HB   LYS 690           HB2      LYS 690   7.439 -10.362   4.951
  571   2HB   LYS 690           HB1      LYS 690   6.162  -9.585   4.031
  572   1HG   LYS 690           HG2      LYS 690   7.890  -8.203   6.078
  573   2HG   LYS 690           HG1      LYS 690   8.163  -8.167   4.337
  574   1HD   LYS 690           HD2      LYS 690   5.839  -7.206   4.111
  575   2HD   LYS 690           HD1      LYS 690   5.827  -7.037   5.867
  576   1HE   LYS 690           HE2      LYS 690   7.915  -5.817   4.064
  577   2HE   LYS 690           HE1      LYS 690   6.474  -4.967   4.618
  578   1HZ   LYS 690           HZ1      LYS 690   8.537  -6.122   6.420
  579   2HZ   LYS 690           HZ3      LYS 690   8.465  -4.489   5.956
  580   3HZ   LYS 690           HZ2      LYS 690   7.211  -5.163   6.874
  581    H    ARG 691           HN       ARG 691   4.473 -11.843   5.081
  582    HA   ARG 691           HA       ARG 691   2.402 -10.657   3.673
  583   1HB   ARG 691           HB2      ARG 691   3.090 -12.980   3.395
  584   2HB   ARG 691           HB1      ARG 691   2.497 -13.367   4.986
  585   1HG   ARG 691           HG2      ARG 691   0.226 -12.997   4.297
  586   2HG   ARG 691           HG1      ARG 691   0.766 -12.381   2.734
  587   1HD   ARG 691           HD2      ARG 691   1.852 -14.644   2.379
  588   2HD   ARG 691           HD1      ARG 691   0.952 -15.191   3.792
  589    HE   ARG 691           HE       ARG 691  -1.100 -14.688   2.554
  590   1HH1  ARG 691          1HH1      ARG 691   1.882 -15.030   0.743
  591   2HH1  ARG 691          2HH1      ARG 691   1.073 -15.344  -0.768
  592   1HH2  ARG 691          1HH2      ARG 691  -2.160 -15.110   0.567
  593   2HH2  ARG 691          2HH2      ARG 691  -1.217 -15.385  -0.864
  594    H    HIS 692           HN       HIS 692   2.522 -11.676   7.048
  595    HA   HIS 692           HA       HIS 692  -0.204 -11.220   7.643
  596   1HB   HIS 692           HB2      HIS 692   2.254 -11.172   9.406
  597   2HB   HIS 692           HB1      HIS 692   0.621 -10.970  10.027
  598    HD1  HIS 692           HD1      HIS 692   2.568 -13.337  10.774
  599    HD2  HIS 692           HD2      HIS 692  -0.550 -13.493   8.026
  600    HE1  HIS 692           HE1      HIS 692   1.921 -15.763  10.615
  601    HE2  HIS 692           HE2      HIS 692  -0.121 -15.790   9.135
  602    H    LYS 693           HN       LYS 693   2.663  -9.171   7.963
  603    HA   LYS 693           HA       LYS 693   1.245  -7.020   9.145
  604   1HB   LYS 693           HB2      LYS 693   3.988  -7.068   7.885
  605   2HB   LYS 693           HB1      LYS 693   3.340  -5.759   8.871
  606   1HG   LYS 693           HG2      LYS 693   3.051  -7.408  10.726
  607   2HG   LYS 693           HG1      LYS 693   3.927  -8.577   9.736
  608   1HD   LYS 693           HD2      LYS 693   5.855  -7.044   9.677
  609   2HD   LYS 693           HD1      LYS 693   4.974  -5.923  10.720
  610   1HE   LYS 693           HE2      LYS 693   4.816  -7.725  12.422
  611   2HE   LYS 693           HE1      LYS 693   5.827  -8.737  11.393
  612   1HZ   LYS 693           HZ2      LYS 693   7.518  -6.901  11.529
  613   2HZ   LYS 693           HZ1      LYS 693   6.571  -6.211  12.754
  614   3HZ   LYS 693           HZ3      LYS 693   7.244  -7.751  12.972
  615    H    VAL 694           HN       VAL 694   2.257  -7.666   5.789
  616    HA   VAL 694           HA       VAL 694   1.448  -5.121   4.818
  617    HB   VAL 694           HB       VAL 694   1.460  -6.059   2.580
  618   1HG1  VAL 694          3HG1      VAL 694   3.566  -5.386   3.577
  619   2HG1  VAL 694          2HG1      VAL 694   3.792  -7.010   4.228
  620   3HG1  VAL 694          1HG1      VAL 694   3.792  -6.751   2.484
  621   1HG2  VAL 694          3HG2      VAL 694   0.468  -8.244   3.017
  622   2HG2  VAL 694          2HG2      VAL 694   2.007  -8.409   2.170
  623   3HG2  VAL 694          1HG2      VAL 694   1.915  -8.733   3.901
  624    H    LYS 695           HN       LYS 695  -0.229  -8.205   5.239
  625    HA   LYS 695           HA       LYS 695  -2.632  -7.404   3.940
  626   1HB   LYS 695           HB2      LYS 695  -1.997  -9.777   4.321
  627   2HB   LYS 695           HB1      LYS 695  -2.268  -9.549   6.044
  628   1HG   LYS 695           HG2      LYS 695  -4.619  -9.012   5.592
  629   2HG   LYS 695           HG1      LYS 695  -4.339  -9.281   3.872
  630   1HD   LYS 695           HD2      LYS 695  -5.326 -11.263   4.755
  631   2HD   LYS 695           HD1      LYS 695  -3.626 -11.614   4.445
  632   1HE   LYS 695           HE2      LYS 695  -4.261 -12.551   6.571
  633   2HE   LYS 695           HE1      LYS 695  -3.143 -11.214   6.834
  634   1HZ   LYS 695           HZ1      LYS 695  -6.093 -10.937   7.024
  635   2HZ   LYS 695           HZ3      LYS 695  -5.099 -11.274   8.357
  636   3HZ   LYS 695           HZ2      LYS 695  -4.917  -9.817   7.517
  637    H    GLU 696           HN       GLU 696  -1.539  -7.416   7.315
  638    HA   GLU 696           HA       GLU 696  -3.953  -6.651   8.504
  639   1HB   GLU 696           HB2      GLU 696  -1.963  -7.455   9.756
  640   2HB   GLU 696           HB1      GLU 696  -1.167  -5.922   9.426
  641   1HG   GLU 696           HG2      GLU 696  -2.871  -4.741  10.693
  642   2HG   GLU 696           HG1      GLU 696  -3.724  -6.256  10.983
  643    H    PHE 697           HN       PHE 697  -1.274  -4.683   7.279
  644    HA   PHE 697           HA       PHE 697  -2.452  -2.197   7.897
  645   1HB   PHE 697           HB2      PHE 697  -0.135  -2.112   7.453
  646   2HB   PHE 697           HB1      PHE 697  -0.307  -3.010   5.945
  647    HD1  PHE 697           HD1      PHE 697  -1.287   0.212   7.541
  648    HD2  PHE 697           HD2      PHE 697  -0.404  -1.877   3.939
  649    HE1  PHE 697           HE1      PHE 697  -1.474   2.314   6.277
  650    HE2  PHE 697           HE2      PHE 697  -0.588   0.222   2.672
  651    HZ   PHE 697           HZ       PHE 697  -1.134   2.318   3.836
  652    H    ILE 698           HN       ILE 698  -2.387  -4.094   4.879
  653    HA   ILE 698           HA       ILE 698  -3.704  -2.169   3.323
  654    HB   ILE 698           HB       ILE 698  -2.395  -4.181   2.493
  655   1HG1  ILE 698          2HG1      ILE 698  -5.055  -3.745   1.137
  656   2HG1  ILE 698          1HG1      ILE 698  -3.783  -2.524   1.158
  657   1HG2  ILE 698          1HG2      ILE 698  -3.650  -5.908   3.713
  658   2HG2  ILE 698          3HG2      ILE 698  -5.078  -5.534   2.746
  659   3HG2  ILE 698          2HG2      ILE 698  -3.636  -6.193   1.973
  660   1HD1  ILE 698          1HD1      ILE 698  -3.535  -5.295   0.032
  661   2HD1  ILE 698          3HD1      ILE 698  -3.761  -3.813  -0.897
  662   3HD1  ILE 698          2HD1      ILE 698  -2.284  -4.056   0.035
  663    H    ASN 699           HN       ASN 699  -4.974  -4.789   5.326
  664    HA   ASN 699           HA       ASN 699  -7.638  -4.684   4.428
  665   1HB   ASN 699           HB2      ASN 699  -6.970  -6.549   5.749
  666   2HB   ASN 699           HB1      ASN 699  -6.418  -5.514   7.063
  667   1HD2  ASN 699          1HD2      ASN 699  -7.927  -4.564   8.430
  668   2HD2  ASN 699          2HD2      ASN 699  -9.570  -5.121   8.518
  669    H    SER 700           HN       SER 700  -6.125  -3.117   7.254
  670    HA   SER 700           HA       SER 700  -8.391  -1.626   8.001
  671   1HB   SER 700           HB2      SER 700  -5.485  -0.956   8.502
  672   2HB   SER 700           HB1      SER 700  -6.872  -0.377   9.426
  673    HG   SER 700           HG       SER 700  -6.891  -2.181  10.503
  674    H    TYR 701           HN       TYR 701  -5.754  -0.991   5.789
  675    HA   TYR 701           HA       TYR 701  -6.294   1.733   5.312
  676   1HB   TYR 701           HB2      TYR 701  -4.174   0.710   4.702
  677   2HB   TYR 701           HB1      TYR 701  -4.987  -0.368   3.575
  678    HD1  TYR 701           HD1      TYR 701  -5.255   3.321   4.119
  679    HD2  TYR 701           HD2      TYR 701  -4.285   0.151   1.458
  680    HE1  TYR 701           HE1      TYR 701  -4.926   4.948   2.306
  681    HE2  TYR 701           HE2      TYR 701  -3.944   1.763  -0.354
  682    HH   TYR 701           HH       TYR 701  -3.468   4.913   0.049
  683    H    MET 702           HN       MET 702  -7.321  -1.217   3.617
  684    HA   MET 702           HA       MET 702  -8.944  -0.043   1.647
  685   1HB   MET 702           HB2      MET 702  -9.205  -2.697   3.062
  686   2HB   MET 702           HB1      MET 702 -10.111  -2.242   1.626
  687   1HG   MET 702           HG2      MET 702  -8.018  -2.000   0.394
  688   2HG   MET 702           HG1      MET 702  -7.126  -2.496   1.834
  689   1HE   MET 702           HE3      MET 702  -6.961  -3.833  -1.090
  690   2HE   MET 702           HE2      MET 702  -5.961  -4.341   0.267
  691   3HE   MET 702           HE1      MET 702  -6.874  -5.539  -0.649
  692    H    ASP 703           HN       ASP 703  -9.601  -1.052   4.948
  693    HA   ASP 703           HA       ASP 703 -12.358  -0.782   5.060
  694   1HB   ASP 703           HB2      ASP 703 -11.064  -1.783   6.860
  695   2HB   ASP 703           HB1      ASP 703 -10.292  -0.240   7.203
  696    H    LYS 704           HN       LYS 704  -9.845   1.658   5.506
  697    HA   LYS 704           HA       LYS 704 -11.598   3.753   6.245
  698   1HB   LYS 704           HB2      LYS 704  -8.820   3.839   5.071
  699   2HB   LYS 704           HB1      LYS 704  -9.680   5.243   5.688
  700   1HG   LYS 704           HG2      LYS 704  -9.813   4.089   7.900
  701   2HG   LYS 704           HG1      LYS 704  -8.759   2.837   7.239
  702   1HD   LYS 704           HD2      LYS 704  -7.454   4.452   8.492
  703   2HD   LYS 704           HD1      LYS 704  -7.052   4.552   6.777
  704   1HE   LYS 704           HE2      LYS 704  -8.534   6.484   6.546
  705   2HE   LYS 704           HE1      LYS 704  -8.946   6.377   8.255
  706   1HZ   LYS 704           HZ3      LYS 704  -6.231   6.892   7.168
  707   2HZ   LYS 704           HZ2      LYS 704  -7.262   8.064   7.833
  708   3HZ   LYS 704           HZ1      LYS 704  -6.645   6.821   8.810
  709    H    ILE 705           HN       ILE 705 -10.606   2.470   3.150
  710    HA   ILE 705           HA       ILE 705 -11.409   4.831   1.708
  711    HB   ILE 705           HB       ILE 705 -10.743   2.121   0.549
  712   1HG1  ILE 705          2HG1      ILE 705  -8.897   2.929   1.953
  713   2HG1  ILE 705          1HG1      ILE 705  -8.465   2.971   0.248
  714   1HG2  ILE 705          1HG2      ILE 705 -11.885   3.631  -0.986
  715   2HG2  ILE 705          3HG2      ILE 705 -10.694   4.887  -0.650
  716   3HG2  ILE 705          2HG2      ILE 705 -10.205   3.401  -1.466
  717   1HD1  ILE 705          1HD1      ILE 705  -9.340   5.336   1.892
  718   2HD1  ILE 705          3HD1      ILE 705  -7.681   4.946   1.445
  719   3HD1  ILE 705          2HD1      ILE 705  -8.852   5.371   0.197
  720    H    ILE 706           HN       ILE 706 -12.741   1.603   2.341
  721    HA   ILE 706           HA       ILE 706 -15.071   2.047   0.727
  722    HB   ILE 706           HB       ILE 706 -14.364  -0.235   1.220
  723   1HG1  ILE 706          2HG1      ILE 706 -16.555  -1.173   1.873
  724   2HG1  ILE 706          1HG1      ILE 706 -17.060   0.422   2.424
  725   1HG2  ILE 706          3HG2      ILE 706 -15.088   0.355   4.080
  726   2HG2  ILE 706          2HG2      ILE 706 -14.679  -1.234   3.430
  727   3HG2  ILE 706          1HG2      ILE 706 -13.469   0.048   3.449
  728   1HD1  ILE 706          1HD1      ILE 706 -16.844   1.269   0.140
  729   2HD1  ILE 706          3HD1      ILE 706 -16.366  -0.340  -0.404
  730   3HD1  ILE 706          2HD1      ILE 706 -17.985  -0.069   0.243
  731    H    LEU 707           HN       LEU 707 -14.255   2.470   4.124
  732    HA   LEU 707           HA       LEU 707 -16.827   3.278   4.998
  733   1HB   LEU 707           HB2      LEU 707 -15.072   2.588   6.559
  734   2HB   LEU 707           HB1      LEU 707 -14.104   3.975   6.102
  735    HG   LEU 707           HG       LEU 707 -15.885   5.460   7.018
  736   1HD1  LEU 707          3HD1      LEU 707 -17.051   2.864   8.010
  737   2HD1  LEU 707          2HD1      LEU 707 -17.579   4.479   8.485
  738   3HD1  LEU 707          1HD1      LEU 707 -17.771   3.942   6.815
  739   1HD2  LEU 707          1HD2      LEU 707 -14.714   3.436   8.923
  740   2HD2  LEU 707          3HD2      LEU 707 -13.924   4.906   8.343
  741   3HD2  LEU 707          2HD2      LEU 707 -15.354   5.019   9.373
  742    H    LYS 708           HN       LYS 708 -14.230   4.887   3.377
  743    HA   LYS 708           HA       LYS 708 -14.825   7.566   3.851
  744   1HB   LYS 708           HB2      LYS 708 -12.796   6.649   2.727
  745   2HB   LYS 708           HB1      LYS 708 -13.769   6.345   1.298
  746   1HG   LYS 708           HG2      LYS 708 -14.180   8.734   1.054
  747   2HG   LYS 708           HG1      LYS 708 -13.233   9.047   2.512
  748   1HD   LYS 708           HD2      LYS 708 -11.271   8.025   1.431
  749   2HD   LYS 708           HD1      LYS 708 -12.220   7.787  -0.037
  750   1HE   LYS 708           HE2      LYS 708 -10.857   9.763  -0.270
  751   2HE   LYS 708           HE1      LYS 708 -12.555  10.226  -0.177
  752   1HZ   LYS 708           HZ3      LYS 708 -10.735  10.269   2.165
  753   2HZ   LYS 708           HZ2      LYS 708 -10.989  11.609   1.163
  754   3HZ   LYS 708           HZ1      LYS 708 -12.284  10.952   2.042
  755    H    LYS 709           HN       LYS 709 -16.293   5.250   1.663
  756    HA   LYS 709           HA       LYS 709 -17.820   7.166   0.193
  757   1HB   LYS 709           HB2      LYS 709 -18.235   4.189   0.539
  758   2HB   LYS 709           HB1      LYS 709 -19.070   5.197  -0.636
  759   1HG   LYS 709           HG2      LYS 709 -16.900   5.719  -1.688
  760   2HG   LYS 709           HG1      LYS 709 -16.111   4.629  -0.546
  761   1HD   LYS 709           HD2      LYS 709 -16.485   3.504  -2.669
  762   2HD   LYS 709           HD1      LYS 709 -17.478   2.769  -1.409
  763   1HE   LYS 709           HE2      LYS 709 -19.396   4.114  -2.178
  764   2HE   LYS 709           HE1      LYS 709 -18.396   4.768  -3.474
  765   1HZ   LYS 709           HZ3      LYS 709 -19.042   1.886  -3.113
  766   2HZ   LYS 709           HZ2      LYS 709 -19.822   2.930  -4.198
  767   3HZ   LYS 709           HZ1      LYS 709 -18.176   2.569  -4.406
  768    H    LYS 710           HN       LYS 710 -18.236   5.439   3.169
  769    HA   LYS 710           HA       LYS 710 -21.051   6.072   3.389
  770   1HB   LYS 710           HB2      LYS 710 -20.213   3.960   4.306
  771   2HB   LYS 710           HB1      LYS 710 -19.137   4.841   5.382
  772   1HG   LYS 710           HG2      LYS 710 -20.964   5.698   6.641
  773   2HG   LYS 710           HG1      LYS 710 -22.133   5.107   5.458
  774   1HD   LYS 710           HD2      LYS 710 -20.296   3.155   6.755
  775   2HD   LYS 710           HD1      LYS 710 -21.646   3.793   7.693
  776   1HE   LYS 710           HE2      LYS 710 -22.194   1.672   6.568
  777   2HE   LYS 710           HE1      LYS 710 -23.222   3.001   6.042
  778   1HZ   LYS 710           HZ2      LYS 710 -20.827   2.142   4.519
  779   2HZ   LYS 710           HZ1      LYS 710 -22.368   1.485   4.255
  780   3HZ   LYS 710           HZ3      LYS 710 -22.096   3.137   3.997
  781    H    GLN 711           HN       GLN 711 -17.976   7.163   4.699
  782    HA   GLN 711           HA       GLN 711 -18.992   8.966   6.616
  783   1HB   GLN 711           HB2      GLN 711 -16.657   8.137   6.569
  784   2HB   GLN 711           HB1      GLN 711 -16.365   9.085   5.119
  785   1HG   GLN 711           HG2      GLN 711 -15.461  10.225   7.025
  786   2HG   GLN 711           HG1      GLN 711 -16.829  11.138   6.391
  787   1HE2  GLN 711          1HE2      GLN 711 -17.206  12.204   8.297
  788   2HE2  GLN 711          2HE2      GLN 711 -17.843  11.421   9.707
  789    H    LYS 712           HN       LYS 712 -19.023   9.068   3.257
  790    HA   LYS 712           HA       LYS 712 -18.812  11.872   2.817
  791   1HB   LYS 712           HB2      LYS 712 -18.384  10.299   1.013
  792   2HB   LYS 712           HB1      LYS 712 -20.003   9.635   1.157
  793   1HG   LYS 712           HG2      LYS 712 -20.929  11.797   0.436
  794   2HG   LYS 712           HG1      LYS 712 -19.287  12.414   0.243
  795   1HD   LYS 712           HD2      LYS 712 -20.399  10.014  -1.211
  796   2HD   LYS 712           HD1      LYS 712 -20.314  11.640  -1.888
  797   1HE   LYS 712           HE2      LYS 712 -17.919  10.110  -0.883
  798   2HE   LYS 712           HE1      LYS 712 -18.449  10.106  -2.564
  799   1HZ   LYS 712           HZ2      LYS 712 -17.681  12.537  -1.034
  800   2HZ   LYS 712           HZ1      LYS 712 -16.681  11.722  -2.136
  801   3HZ   LYS 712           HZ3      LYS 712 -18.105  12.469  -2.675
  802    H    LYS 713           HN       LYS 713 -21.271   9.673   3.792
  803    HA   LYS 713           HA       LYS 713 -23.199  11.913   3.850
  804   1HB   LYS 713           HB2      LYS 713 -23.698   9.047   3.078
  805   2HB   LYS 713           HB1      LYS 713 -24.995  10.136   3.549
  806   1HG   LYS 713           HG2      LYS 713 -23.111  10.529   1.230
  807   2HG   LYS 713           HG1      LYS 713 -24.795  10.006   1.134
  808   1HD   LYS 713           HD2      LYS 713 -25.490  12.136   2.163
  809   2HD   LYS 713           HD1      LYS 713 -23.806  12.659   2.181
  810   1HE   LYS 713           HE2      LYS 713 -25.001  13.611   0.284
  811   2HE   LYS 713           HE1      LYS 713 -23.733  12.511  -0.255
  812   1HZ   LYS 713           HZ2      LYS 713 -26.586  11.745   0.010
  813   2HZ   LYS 713           HZ1      LYS 713 -25.874  12.257  -1.445
  814   3HZ   LYS 713           HZ3      LYS 713 -25.342  10.833  -0.690
  815    H    ALA 714           HN       ALA 714 -21.370  10.049   5.738
  816    HA   ALA 714           HA       ALA 714 -23.138   9.018   7.672
  817   1HB   ALA 714           HB3      ALA 714 -20.286   9.920   8.045
  818   2HB   ALA 714           HB1      ALA 714 -20.799   8.321   7.508
  819   3HB   ALA 714           HB2      ALA 714 -21.197   8.875   9.134

  No H/Q in entry =         819
  Start of MODEL    9
    1    H    VAL 622           HN       VAL 622  22.626  14.002  -2.418
    2    HA   VAL 622           HA       VAL 622  20.639  12.381  -3.805
    3    HB   VAL 622           HB       VAL 622  23.626  11.931  -3.678
    4   1HG1  VAL 622          2HG1      VAL 622  21.530  10.968  -5.620
    5   2HG1  VAL 622          1HG1      VAL 622  23.263  10.665  -5.745
    6   3HG1  VAL 622          3HG1      VAL 622  22.348   9.996  -4.395
    7   1HG2  VAL 622          3HG2      VAL 622  23.208  14.152  -4.579
    8   2HG2  VAL 622          2HG2      VAL 622  23.770  13.061  -5.846
    9   3HG2  VAL 622          1HG2      VAL 622  22.059  13.481  -5.737
   10    H    SER 623           HN       SER 623  19.661  11.808  -1.731
   11    HA   SER 623           HA       SER 623  21.088  10.256   0.179
   12   1HB   SER 623           HB2      SER 623  18.094  10.402  -0.260
   13   2HB   SER 623           HB1      SER 623  18.928   9.919   1.218
   14    HG   SER 623           HG       SER 623  19.819  12.086   1.248
   15    H    GLN 624           HN       GLN 624  21.608   8.219   0.109
   16    HA   GLN 624           HA       GLN 624  21.250   6.499  -2.040
   17   1HB   GLN 624           HB2      GLN 624  23.011   6.209  -0.416
   18   2HB   GLN 624           HB1      GLN 624  21.844   5.944   0.869
   19   1HG   GLN 624           HG2      GLN 624  21.144   3.864  -0.207
   20   2HG   GLN 624           HG1      GLN 624  22.340   4.129  -1.477
   21   1HE2  GLN 624          1HE2      GLN 624  22.940   4.960   1.855
   22   2HE2  GLN 624          2HE2      GLN 624  24.117   3.726   2.159
   23    H    SER 625           HN       SER 625  19.239   7.063   0.738
   24    HA   SER 625           HA       SER 625  17.694   4.707   0.632
   25   1HB   SER 625           HB2      SER 625  16.743   7.365   1.683
   26   2HB   SER 625           HB1      SER 625  16.311   5.746   2.237
   27    HG   SER 625           HG       SER 625  18.027   5.697   3.446
   28    H    GLN 626           HN       GLN 626  17.552   7.683  -1.177
   29    HA   GLN 626           HA       GLN 626  14.802   7.693  -1.800
   30   1HB   GLN 626           HB2      GLN 626  17.065   8.788  -3.477
   31   2HB   GLN 626           HB1      GLN 626  15.372   9.240  -3.586
   32   1HG   GLN 626           HG2      GLN 626  17.180   9.734  -1.231
   33   2HG   GLN 626           HG1      GLN 626  16.696  10.927  -2.431
   34   1HE2  GLN 626          1HE2      GLN 626  15.750  12.278  -0.967
   35   2HE2  GLN 626          2HE2      GLN 626  14.268  11.899  -0.142
   36    H    ARG 627           HN       ARG 627  17.548   6.082  -3.268
   37    HA   ARG 627           HA       ARG 627  16.115   5.247  -5.600
   38   1HB   ARG 627           HB2      ARG 627  18.698   4.209  -4.426
   39   2HB   ARG 627           HB1      ARG 627  18.074   3.816  -6.025
   40   1HG   ARG 627           HG2      ARG 627  18.177   6.203  -6.620
   41   2HG   ARG 627           HG1      ARG 627  18.890   6.541  -5.043
   42   1HD   ARG 627           HD2      ARG 627  20.734   4.975  -5.623
   43   2HD   ARG 627           HD1      ARG 627  20.046   4.844  -7.243
   44    HE   ARG 627           HE       ARG 627  20.553   7.548  -6.385
   45   1HH1  ARG 627          1HH1      ARG 627  21.826   4.736  -8.038
   46   2HH1  ARG 627          2HH1      ARG 627  23.087   5.616  -8.850
   47   1HH2  ARG 627          1HH2      ARG 627  22.203   8.709  -7.447
   48   2HH2  ARG 627          2HH2      ARG 627  23.328   7.876  -8.478
   49    H    LEU 628           HN       LEU 628  16.533   4.056  -2.384
   50    HA   LEU 628           HA       LEU 628  15.745   1.375  -2.882
   51   1HB   LEU 628           HB2      LEU 628  15.963   3.059  -0.440
   52   2HB   LEU 628           HB1      LEU 628  15.013   1.588  -0.356
   53    HG   LEU 628           HG       LEU 628  17.938   1.858  -0.949
   54   1HD1  LEU 628          3HD1      LEU 628  17.263   1.863   1.408
   55   2HD1  LEU 628          2HD1      LEU 628  16.407   0.339   1.156
   56   3HD1  LEU 628          1HD1      LEU 628  18.165   0.405   0.994
   57   1HD2  LEU 628          1HD2      LEU 628  16.215  -0.596  -1.179
   58   2HD2  LEU 628          3HD2      LEU 628  17.010   0.246  -2.509
   59   3HD2  LEU 628          2HD2      LEU 628  17.976  -0.564  -1.276
   60    H    GLU 629           HN       GLU 629  13.999   4.338  -2.634
   61    HA   GLU 629           HA       GLU 629  11.513   3.313  -1.849
   62   1HB   GLU 629           HB2      GLU 629  12.108   5.637  -3.679
   63   2HB   GLU 629           HB1      GLU 629  10.538   5.288  -2.969
   64   1HG   GLU 629           HG2      GLU 629  11.508   5.547  -0.736
   65   2HG   GLU 629           HG1      GLU 629  13.055   5.952  -1.474
   66    H    HIS 630           HN       HIS 630  12.953   3.714  -5.048
   67    HA   HIS 630           HA       HIS 630  10.808   2.644  -6.528
   68   1HB   HIS 630           HB2      HIS 630  12.732   4.020  -7.437
   69   2HB   HIS 630           HB1      HIS 630  13.725   2.574  -7.315
   70    HD1  HIS 630           HD1      HIS 630  11.532   4.338  -9.586
   71    HD2  HIS 630           HD2      HIS 630  12.668   0.380  -9.003
   72    HE1  HIS 630           HE1      HIS 630  10.928   3.137 -11.711
   73    HE2  HIS 630           HE2      HIS 630  11.472   0.715 -11.274
   74    H    ASN 631           HN       ASN 631  13.673   1.192  -5.053
   75    HA   ASN 631           HA       ASN 631  13.247  -1.425  -6.068
   76   1HB   ASN 631           HB2      ASN 631  14.751  -0.424  -3.645
   77   2HB   ASN 631           HB1      ASN 631  14.723  -2.118  -4.128
   78   1HD2  ASN 631          1HD2      ASN 631  14.743  -1.609  -6.946
   79   2HD2  ASN 631          2HD2      ASN 631  16.322  -1.039  -7.353
   80    H    TRP 632           HN       TRP 632  12.399   0.172  -3.030
   81    HA   TRP 632           HA       TRP 632  10.895  -1.845  -1.864
   82   1HB   TRP 632           HB2      TRP 632  11.071   1.075  -1.634
   83   2HB   TRP 632           HB1      TRP 632   9.504   0.415  -1.175
   84    HD1  TRP 632           HD1      TRP 632  12.925   0.983   0.176
   85    HE1  TRP 632           HE1      TRP 632  13.158  -0.148   2.478
   86    HE3  TRP 632           HE3      TRP 632   8.712  -1.875   0.076
   87    HZ2  TRP 632           HZ2      TRP 632  11.716  -2.028   4.045
   88    HZ3  TRP 632           HZ3      TRP 632   8.206  -3.315   1.995
   89    HH2  TRP 632           HH2      TRP 632   9.664  -3.392   3.931
   90    H    ASN 633           HN       ASN 633   9.977   0.540  -4.312
   91    HA   ASN 633           HA       ASN 633   7.238   0.025  -4.447
   92   1HB   ASN 633           HB2      ASN 633   9.111   0.827  -6.684
   93   2HB   ASN 633           HB1      ASN 633   7.358   0.842  -6.805
   94   1HD2  ASN 633          1HD2      ASN 633   7.204   1.787  -3.943
   95   2HD2  ASN 633          2HD2      ASN 633   7.576   3.468  -4.030
   96    H    LYS 634           HN       LYS 634   9.927  -1.518  -6.176
   97    HA   LYS 634           HA       LYS 634   8.454  -3.295  -7.750
   98   1HB   LYS 634           HB2      LYS 634  11.199  -3.536  -6.529
   99   2HB   LYS 634           HB1      LYS 634  10.531  -4.761  -7.594
  100   1HG   LYS 634           HG2      LYS 634  10.299  -3.016  -9.351
  101   2HG   LYS 634           HG1      LYS 634  11.142  -1.894  -8.275
  102   1HD   LYS 634           HD2      LYS 634  13.096  -3.301  -8.256
  103   2HD   LYS 634           HD1      LYS 634  12.254  -4.551  -9.169
  104   1HE   LYS 634           HE2      LYS 634  12.035  -2.934 -11.051
  105   2HE   LYS 634           HE1      LYS 634  13.030  -1.804 -10.132
  106   1HZ   LYS 634           HZ2      LYS 634  14.821  -3.442 -10.135
  107   2HZ   LYS 634           HZ1      LYS 634  13.866  -4.512 -11.030
  108   3HZ   LYS 634           HZ3      LYS 634  14.361  -3.044 -11.720
  109    H    PHE 635           HN       PHE 635   9.600  -3.567  -4.434
  110    HA   PHE 635           HA       PHE 635   8.970  -6.240  -3.962
  111   1HB   PHE 635           HB2      PHE 635  10.333  -4.991  -2.407
  112   2HB   PHE 635           HB1      PHE 635   9.013  -3.877  -2.076
  113    HD1  PHE 635           HD1      PHE 635   8.010  -4.146  -0.040
  114    HD2  PHE 635           HD2      PHE 635   9.544  -7.568  -2.041
  115    HE1  PHE 635           HE1      PHE 635   7.288  -5.563   1.837
  116    HE2  PHE 635           HE2      PHE 635   8.825  -8.993  -0.170
  117    HZ   PHE 635           HZ       PHE 635   7.729  -7.962   1.807
  118    H    PHE 636           HN       PHE 636   6.984  -3.356  -3.215
  119    HA   PHE 636           HA       PHE 636   4.787  -4.940  -2.356
  120   1HB   PHE 636           HB2      PHE 636   5.078  -2.000  -2.961
  121   2HB   PHE 636           HB1      PHE 636   3.546  -2.714  -2.458
  122    HD1  PHE 636           HD1      PHE 636   4.100  -4.541  -0.440
  123    HD2  PHE 636           HD2      PHE 636   6.084  -0.859  -1.189
  124    HE1  PHE 636           HE1      PHE 636   4.791  -4.448   1.904
  125    HE2  PHE 636           HE2      PHE 636   6.782  -0.761   1.158
  126    HZ   PHE 636           HZ       PHE 636   6.142  -2.572   2.704
  127    H    ALA 637           HN       ALA 637   5.715  -3.505  -5.406
  128    HA   ALA 637           HA       ALA 637   3.291  -3.838  -6.798
  129   1HB   ALA 637           HB2      ALA 637   6.098  -3.973  -7.893
  130   2HB   ALA 637           HB1      ALA 637   4.627  -3.714  -8.832
  131   3HB   ALA 637           HB3      ALA 637   5.152  -2.502  -7.662
  132    H    SER 638           HN       SER 638   5.606  -6.131  -5.710
  133    HA   SER 638           HA       SER 638   5.148  -8.135  -7.669
  134   1HB   SER 638           HB2      SER 638   6.235  -8.412  -4.860
  135   2HB   SER 638           HB1      SER 638   6.350  -9.626  -6.133
  136    HG   SER 638           HG       SER 638   7.513  -7.028  -6.128
  137    H    PHE 639           HN       PHE 639   3.709  -7.503  -4.470
  138    HA   PHE 639           HA       PHE 639   1.955  -9.803  -4.973
  139   1HB   PHE 639           HB2      PHE 639   1.554  -9.729  -2.449
  140   2HB   PHE 639           HB1      PHE 639   3.083 -10.363  -3.036
  141    HD1  PHE 639           HD1      PHE 639   1.456  -7.583  -1.247
  142    HD2  PHE 639           HD2      PHE 639   5.133  -9.209  -2.657
  143    HE1  PHE 639           HE1      PHE 639   2.697  -6.096   0.257
  144    HE2  PHE 639           HE2      PHE 639   6.369  -7.712  -1.160
  145    HZ   PHE 639           HZ       PHE 639   5.154  -6.164   0.302
  146    H    VAL 640           HN       VAL 640   1.930  -6.428  -4.008
  147    HA   VAL 640           HA       VAL 640  -0.625  -6.291  -2.965
  148    HB   VAL 640           HB       VAL 640   1.057  -4.222  -4.351
  149   1HG1  VAL 640          2HG1      VAL 640  -1.659  -3.809  -3.096
  150   2HG1  VAL 640          1HG1      VAL 640  -0.570  -2.530  -3.630
  151   3HG1  VAL 640          3HG1      VAL 640  -1.273  -3.640  -4.808
  152   1HG2  VAL 640          3HG2      VAL 640   0.159  -4.627  -1.499
  153   2HG2  VAL 640          2HG2      VAL 640   1.764  -4.959  -2.148
  154   3HG2  VAL 640          1HG2      VAL 640   1.168  -3.301  -2.074
  155    HA   PRO 641           HA       PRO 641  -2.438  -5.207  -7.356
  156   1HB   PRO 641           HB2      PRO 641  -0.460  -6.545  -9.112
  157   2HB   PRO 641           HB1      PRO 641  -1.316  -5.017  -9.340
  158   1HG   PRO 641           HG2      PRO 641   1.272  -5.045  -8.704
  159   2HG   PRO 641           HG1      PRO 641   0.176  -3.832  -8.013
  160   1HD   PRO 641           HD2      PRO 641   1.276  -6.323  -6.766
  161   2HD   PRO 641           HD1      PRO 641   1.048  -4.711  -6.056
  162    H    ASN 642           HN       ASN 642  -0.650  -8.164  -6.717
  163    HA   ASN 642           HA       ASN 642  -2.426  -9.853  -8.205
  164   1HB   ASN 642           HB2      ASN 642  -0.195 -10.415  -6.263
  165   2HB   ASN 642           HB1      ASN 642  -1.177 -11.703  -6.954
  166   1HD2  ASN 642          1HD2      ASN 642   1.152  -9.208  -7.627
  167   2HD2  ASN 642          2HD2      ASN 642   1.622  -9.791  -9.183
  168    H    LEU 643           HN       LEU 643  -1.947  -9.217  -4.735
  169    HA   LEU 643           HA       LEU 643  -3.887 -11.009  -3.790
  170   1HB   LEU 643           HB2      LEU 643  -2.534  -8.594  -2.690
  171   2HB   LEU 643           HB1      LEU 643  -3.969  -9.153  -1.848
  172    HG   LEU 643           HG       LEU 643  -2.906 -11.356  -1.535
  173   1HD1  LEU 643          3HD1      LEU 643  -0.496 -10.063  -2.790
  174   2HD1  LEU 643          2HD1      LEU 643  -0.515 -11.626  -1.974
  175   3HD1  LEU 643          1HD1      LEU 643  -1.439 -11.395  -3.459
  176   1HD2  LEU 643          3HD2      LEU 643  -1.298  -9.007  -0.563
  177   2HD2  LEU 643          2HD2      LEU 643  -2.725  -9.693   0.209
  178   3HD2  LEU 643          1HD2      LEU 643  -1.236 -10.634   0.113
  179    H    ILE 644           HN       ILE 644  -4.150  -7.563  -4.560
  180    HA   ILE 644           HA       ILE 644  -6.958  -7.522  -3.981
  181    HB   ILE 644           HB       ILE 644  -5.124  -5.439  -5.094
  182   1HG1  ILE 644          2HG1      ILE 644  -6.399  -4.826  -2.644
  183   2HG1  ILE 644          1HG1      ILE 644  -5.705  -6.436  -2.510
  184   1HG2  ILE 644          2HG2      ILE 644  -8.012  -5.142  -4.326
  185   2HG2  ILE 644          1HG2      ILE 644  -6.907  -3.815  -4.686
  186   3HG2  ILE 644          3HG2      ILE 644  -7.343  -4.970  -5.950
  187   1HD1  ILE 644          2HD1      ILE 644  -3.540  -5.519  -3.242
  188   2HD1  ILE 644          1HD1      ILE 644  -4.264  -3.910  -3.303
  189   3HD1  ILE 644          3HD1      ILE 644  -4.128  -4.759  -1.764
  190    H    LYS 645           HN       LYS 645  -5.079  -8.102  -6.830
  191    HA   LYS 645           HA       LYS 645  -6.770  -7.556  -8.901
  192   1HB   LYS 645           HB2      LYS 645  -4.637  -8.658  -9.251
  193   2HB   LYS 645           HB1      LYS 645  -5.210 -10.104  -8.432
  194   1HG   LYS 645           HG2      LYS 645  -6.839 -10.474 -10.212
  195   2HG   LYS 645           HG1      LYS 645  -6.282  -9.011 -11.025
  196   1HD   LYS 645           HD2      LYS 645  -4.490 -11.349 -10.398
  197   2HD   LYS 645           HD1      LYS 645  -5.357 -11.172 -11.924
  198   1HE   LYS 645           HE2      LYS 645  -3.340  -9.231 -10.797
  199   2HE   LYS 645           HE1      LYS 645  -3.049 -10.380 -12.102
  200   1HZ   LYS 645           HZ3      LYS 645  -5.000  -9.197 -13.240
  201   2HZ   LYS 645           HZ2      LYS 645  -4.733  -7.953 -12.118
  202   3HZ   LYS 645           HZ1      LYS 645  -3.501  -8.402 -13.194
  203    H    LYS 646           HN       LYS 646  -7.322  -9.760  -6.291
  204    HA   LYS 646           HA       LYS 646 -10.040 -10.152  -6.897
  205   1HB   LYS 646           HB2      LYS 646  -9.118 -11.594  -8.681
  206   2HB   LYS 646           HB1      LYS 646  -8.296 -12.556  -7.459
  207   1HG   LYS 646           HG2      LYS 646 -10.415 -13.245  -6.526
  208   2HG   LYS 646           HG1      LYS 646 -11.279 -12.206  -7.662
  209   1HD   LYS 646           HD2      LYS 646 -10.373 -13.497  -9.527
  210   2HD   LYS 646           HD1      LYS 646  -9.523 -14.547  -8.390
  211   1HE   LYS 646           HE2      LYS 646 -11.668 -15.229  -7.425
  212   2HE   LYS 646           HE1      LYS 646 -12.513 -14.183  -8.565
  213   1HZ   LYS 646           HZ1      LYS 646 -11.610 -15.518 -10.380
  214   2HZ   LYS 646           HZ3      LYS 646 -10.831 -16.528  -9.262
  215   3HZ   LYS 646           HZ2      LYS 646 -12.525 -16.471  -9.315
  216    H    ASN 647           HN       ASN 647  -9.853  -9.423  -4.624
  217    HA   ASN 647           HA       ASN 647  -9.612 -11.836  -2.928
  218   1HB   ASN 647           HB2      ASN 647  -8.126  -9.385  -2.720
  219   2HB   ASN 647           HB1      ASN 647  -9.155  -9.560  -1.304
  220   1HD2  ASN 647          1HD2      ASN 647  -6.255  -9.693  -1.519
  221   2HD2  ASN 647          2HD2      ASN 647  -5.794 -11.245  -0.917
  222    HA   PRO 648           HA       PRO 648 -13.693 -11.011  -1.246
  223   1HB   PRO 648           HB2      PRO 648 -12.331 -10.615   1.388
  224   2HB   PRO 648           HB1      PRO 648 -13.764 -11.574   0.998
  225   1HG   PRO 648           HG2      PRO 648 -11.406 -12.749   1.372
  226   2HG   PRO 648           HG1      PRO 648 -12.520 -13.320   0.118
  227   1HD   PRO 648           HD2      PRO 648  -9.997 -11.773  -0.155
  228   2HD   PRO 648           HD1      PRO 648 -10.737 -12.940  -1.268
  229    H    GLN 649           HN       GLN 649 -11.008  -8.903  -0.311
  230    HA   GLN 649           HA       GLN 649 -12.734  -6.710   0.408
  231   1HB   GLN 649           HB2      GLN 649 -10.457  -5.473   0.295
  232   2HB   GLN 649           HB1      GLN 649 -10.724  -6.663   1.562
  233   1HG   GLN 649           HG2      GLN 649  -9.564  -7.716  -0.923
  234   2HG   GLN 649           HG1      GLN 649  -8.546  -6.591  -0.025
  235   1HE2  GLN 649          1HE2      GLN 649  -7.883  -7.145   2.066
  236   2HE2  GLN 649          2HE2      GLN 649  -7.943  -8.776   2.644
  237    H    SER 650           HN       SER 650 -10.962  -7.777  -2.392
  238    HA   SER 650           HA       SER 650 -11.167  -5.405  -3.914
  239   1HB   SER 650           HB2      SER 650 -10.898  -8.195  -4.994
  240   2HB   SER 650           HB1      SER 650 -10.263  -6.693  -5.670
  241    HG   SER 650           HG       SER 650  -8.534  -7.176  -4.611
  242    H    LYS 651           HN       LYS 651 -13.198  -8.220  -3.469
  243    HA   LYS 651           HA       LYS 651 -14.949  -7.642  -5.651
  244   1HB   LYS 651           HB2      LYS 651 -14.590  -9.875  -4.376
  245   2HB   LYS 651           HB1      LYS 651 -15.732  -9.219  -3.212
  246   1HG   LYS 651           HG2      LYS 651 -17.455  -9.099  -4.857
  247   2HG   LYS 651           HG1      LYS 651 -16.322  -9.506  -6.147
  248   1HD   LYS 651           HD2      LYS 651 -15.937 -11.700  -4.989
  249   2HD   LYS 651           HD1      LYS 651 -17.258 -11.283  -3.896
  250   1HE   LYS 651           HE2      LYS 651 -18.015 -12.729  -5.719
  251   2HE   LYS 651           HE1      LYS 651 -18.794 -11.147  -5.779
  252   1HZ   LYS 651           HZ3      LYS 651 -16.441 -11.933  -7.420
  253   2HZ   LYS 651           HZ2      LYS 651 -18.048 -11.939  -7.972
  254   3HZ   LYS 651           HZ1      LYS 651 -17.307 -10.481  -7.528
  255    H    GLN 652           HN       GLN 652 -14.414  -6.264  -2.649
  256    HA   GLN 652           HA       GLN 652 -17.043  -4.944  -2.617
  257   1HB   GLN 652           HB2      GLN 652 -14.925  -5.035  -0.454
  258   2HB   GLN 652           HB1      GLN 652 -16.528  -4.323  -0.314
  259   1HG   GLN 652           HG2      GLN 652 -17.521  -6.535  -0.642
  260   2HG   GLN 652           HG1      GLN 652 -15.915  -7.233  -0.747
  261   1HE2  GLN 652          1HE2      GLN 652 -14.695  -7.485   1.082
  262   2HE2  GLN 652          2HE2      GLN 652 -15.344  -7.310   2.678
  263    H    PHE 653           HN       PHE 653 -13.729  -4.650  -3.238
  264    HA   PHE 653           HA       PHE 653 -13.365  -1.859  -3.006
  265   1HB   PHE 653           HB2      PHE 653 -11.963  -4.203  -4.036
  266   2HB   PHE 653           HB1      PHE 653 -11.693  -2.776  -5.018
  267    HD1  PHE 653           HD1      PHE 653 -11.984  -0.923  -2.431
  268    HD2  PHE 653           HD2      PHE 653  -9.600  -4.287  -3.478
  269    HE1  PHE 653           HE1      PHE 653 -10.308  -0.235  -0.800
  270    HE2  PHE 653           HE2      PHE 653  -7.912  -3.587  -1.838
  271    HZ   PHE 653           HZ       PHE 653  -8.142  -1.421  -0.721
  272    H    ASP 654           HN       ASP 654 -13.845  -0.253  -4.408
  273    HA   ASP 654           HA       ASP 654 -15.277  -0.770  -6.841
  274   1HB   ASP 654           HB2      ASP 654 -14.236   1.697  -5.489
  275   2HB   ASP 654           HB1      ASP 654 -14.680   1.781  -7.188
  276    H    HIS 655           HN       HIS 655 -14.436   0.200  -8.937
  277    HA   HIS 655           HA       HIS 655 -11.876  -0.935  -9.517
  278   1HB   HIS 655           HB2      HIS 655 -13.627  -0.826 -11.234
  279   2HB   HIS 655           HB1      HIS 655 -13.572   0.934 -11.191
  280    HD1  HIS 655           HD1      HIS 655 -12.305   1.865 -13.092
  281    HD2  HIS 655           HD2      HIS 655 -10.811  -1.835 -11.919
  282    HE1  HIS 655           HE1      HIS 655 -10.361   1.405 -14.617
  283    HE2  HIS 655           HE2      HIS 655  -9.641  -0.943 -14.055
  284    H    GLU 656           HN       GLU 656 -13.097   2.359  -9.238
  285    HA   GLU 656           HA       GLU 656 -10.697   3.774  -9.497
  286   1HB   GLU 656           HB2      GLU 656 -11.885   5.526  -8.164
  287   2HB   GLU 656           HB1      GLU 656 -12.851   4.892  -9.492
  288   1HG   GLU 656           HG2      GLU 656 -13.830   3.289  -7.737
  289   2HG   GLU 656           HG1      GLU 656 -13.151   4.400  -6.547
  290    H    ASN 657           HN       ASN 657 -12.083   2.007  -6.854
  291    HA   ASN 657           HA       ASN 657 -10.572   3.135  -4.746
  292   1HB   ASN 657           HB2      ASN 657 -12.839   1.956  -4.742
  293   2HB   ASN 657           HB1      ASN 657 -11.934   0.454  -4.839
  294   1HD2  ASN 657          1HD2      ASN 657 -13.695   1.090  -2.857
  295   2HD2  ASN 657          2HD2      ASN 657 -12.828   1.170  -1.385
  296    H    ILE 658           HN       ILE 658 -10.430   0.086  -6.552
  297    HA   ILE 658           HA       ILE 658  -8.270  -1.051  -5.171
  298    HB   ILE 658           HB       ILE 658  -9.646  -1.578  -7.747
  299   1HG1  ILE 658          2HG1      ILE 658  -8.811  -3.287  -5.394
  300   2HG1  ILE 658          1HG1      ILE 658 -10.418  -2.624  -5.662
  301   1HG2  ILE 658          3HG2      ILE 658  -7.317  -1.699  -8.461
  302   2HG2  ILE 658          2HG2      ILE 658  -6.955  -2.798  -7.130
  303   3HG2  ILE 658          1HG2      ILE 658  -8.047  -3.306  -8.418
  304   1HD1  ILE 658          1HD1      ILE 658  -9.059  -4.652  -7.414
  305   2HD1  ILE 658          3HD1      ILE 658 -10.290  -4.986  -6.196
  306   3HD1  ILE 658          2HD1      ILE 658 -10.694  -4.019  -7.618
  307    H    LYS 659           HN       LYS 659  -8.366   1.090  -7.970
  308    HA   LYS 659           HA       LYS 659  -5.661   0.981  -8.694
  309   1HB   LYS 659           HB2      LYS 659  -7.671   3.224  -8.904
  310   2HB   LYS 659           HB1      LYS 659  -6.059   3.305  -9.602
  311   1HG   LYS 659           HG2      LYS 659  -6.551   1.429 -11.042
  312   2HG   LYS 659           HG1      LYS 659  -8.135   1.235 -10.289
  313   1HD   LYS 659           HD2      LYS 659  -8.321   2.406 -12.419
  314   2HD   LYS 659           HD1      LYS 659  -8.790   3.452 -11.078
  315   1HE   LYS 659           HE2      LYS 659  -7.438   4.713 -12.612
  316   2HE   LYS 659           HE1      LYS 659  -6.525   4.454 -11.129
  317   1HZ   LYS 659           HZ1      LYS 659  -6.219   2.826 -13.595
  318   2HZ   LYS 659           HZ3      LYS 659  -5.216   4.122 -13.171
  319   3HZ   LYS 659           HZ2      LYS 659  -5.266   2.732 -12.200
  320    H    GLN 660           HN       GLN 660  -7.342   2.954  -6.307
  321    HA   GLN 660           HA       GLN 660  -5.130   4.608  -5.670
  322   1HB   GLN 660           HB2      GLN 660  -7.447   5.268  -5.206
  323   2HB   GLN 660           HB1      GLN 660  -7.594   3.954  -4.046
  324   1HG   GLN 660           HG2      GLN 660  -5.901   4.979  -2.638
  325   2HG   GLN 660           HG1      GLN 660  -5.697   6.278  -3.813
  326   1HE2  GLN 660          1HE2      GLN 660  -8.552   6.437  -4.408
  327   2HE2  GLN 660          2HE2      GLN 660  -9.275   7.209  -3.038
  328    H    CYS 661           HN       CYS 661  -6.560   1.774  -4.062
  329    HA   CYS 661           HA       CYS 661  -4.913   1.698  -1.839
  330   1HB   CYS 661           HB2      CYS 661  -6.885   0.306  -1.992
  331   2HB   CYS 661           HB1      CYS 661  -6.180  -0.617  -3.314
  332    HG   CYS 661           HG       CYS 661  -4.040  -0.828  -0.933
  333    H    ALA 662           HN       ALA 662  -4.448   0.062  -4.963
  334    HA   ALA 662           HA       ALA 662  -2.113  -1.316  -4.245
  335   1HB   ALA 662           HB3      ALA 662  -2.988  -0.390  -6.978
  336   2HB   ALA 662           HB1      ALA 662  -3.444  -1.905  -6.198
  337   3HB   ALA 662           HB2      ALA 662  -1.763  -1.615  -6.647
  338    H    LYS 663           HN       LYS 663  -2.485   1.773  -5.982
  339    HA   LYS 663           HA       LYS 663   0.317   2.128  -6.280
  340   1HB   LYS 663           HB2      LYS 663  -2.057   3.922  -6.661
  341   2HB   LYS 663           HB1      LYS 663  -0.418   4.542  -6.820
  342   1HG   LYS 663           HG2      LYS 663   0.048   2.963  -8.590
  343   2HG   LYS 663           HG1      LYS 663  -1.546   2.233  -8.389
  344   1HD   LYS 663           HD2      LYS 663  -2.640   4.157  -9.202
  345   2HD   LYS 663           HD1      LYS 663  -1.180   5.139  -9.062
  346   1HE   LYS 663           HE2      LYS 663  -1.687   4.528 -11.393
  347   2HE   LYS 663           HE1      LYS 663  -0.131   3.902 -10.855
  348   1HZ   LYS 663           HZ1      LYS 663  -1.166   1.739 -10.506
  349   2HZ   LYS 663           HZ3      LYS 663  -2.658   2.346 -11.047
  350   3HZ   LYS 663           HZ2      LYS 663  -1.344   2.251 -12.114
  351    H    ASP 664           HN       ASP 664  -2.006   3.201  -3.854
  352    HA   ASP 664           HA       ASP 664  -0.101   5.022  -2.701
  353   1HB   ASP 664           HB2      ASP 664  -2.920   4.291  -2.097
  354   2HB   ASP 664           HB1      ASP 664  -1.960   5.052  -0.831
  355    H    ILE 665           HN       ILE 665  -1.140   1.713  -1.983
  356    HA   ILE 665           HA       ILE 665   0.138   1.601   0.550
  357    HB   ILE 665           HB       ILE 665  -1.429  -0.168  -0.121
  358   1HG1  ILE 665          2HG1      ILE 665   1.244  -1.524   0.218
  359   2HG1  ILE 665          1HG1      ILE 665   0.553  -0.540   1.519
  360   1HG2  ILE 665          1HG2      ILE 665   0.712  -1.002  -2.065
  361   2HG2  ILE 665          3HG2      ILE 665  -0.747  -1.918  -1.691
  362   3HG2  ILE 665          2HG2      ILE 665  -0.870  -0.341  -2.472
  363   1HD1  ILE 665          2HD1      ILE 665  -1.487  -1.981   1.374
  364   2HD1  ILE 665          1HD1      ILE 665  -0.586  -3.016   0.267
  365   3HD1  ILE 665          3HD1      ILE 665  -0.023  -2.801   1.924
  366    H    VAL 666           HN       VAL 666   1.259   1.066  -2.750
  367    HA   VAL 666           HA       VAL 666   3.867   0.248  -2.125
  368    HB   VAL 666           HB       VAL 666   2.813   1.711  -4.556
  369   1HG1  VAL 666          2HG1      VAL 666   5.432   0.263  -4.188
  370   2HG1  VAL 666          1HG1      VAL 666   4.810   0.896  -5.713
  371   3HG1  VAL 666          3HG1      VAL 666   5.221   2.001  -4.401
  372   1HG2  VAL 666          1HG2      VAL 666   3.331  -1.215  -4.026
  373   2HG2  VAL 666          3HG2      VAL 666   1.757  -0.440  -4.206
  374   3HG2  VAL 666          2HG2      VAL 666   2.857  -0.531  -5.582
  375    H    LYS 667           HN       LYS 667   2.387   3.453  -2.361
  376    HA   LYS 667           HA       LYS 667   4.851   4.893  -2.078
  377   1HB   LYS 667           HB2      LYS 667   2.053   5.826  -1.424
  378   2HB   LYS 667           HB1      LYS 667   3.463   6.847  -1.630
  379   1HG   LYS 667           HG2      LYS 667   3.581   6.108  -3.996
  380   2HG   LYS 667           HG1      LYS 667   2.063   5.239  -3.745
  381   1HD   LYS 667           HD2      LYS 667   1.067   7.414  -2.972
  382   2HD   LYS 667           HD1      LYS 667   2.543   8.206  -3.517
  383   1HE   LYS 667           HE2      LYS 667   0.934   8.437  -5.247
  384   2HE   LYS 667           HE1      LYS 667   2.113   7.242  -5.786
  385   1HZ   LYS 667           HZ1      LYS 667  -0.555   6.630  -4.616
  386   2HZ   LYS 667           HZ3      LYS 667  -0.159   6.558  -6.266
  387   3HZ   LYS 667           HZ2      LYS 667   0.575   5.495  -5.169
  388    H    ILE 668           HN       ILE 668   2.213   4.121   0.212
  389    HA   ILE 668           HA       ILE 668   3.438   5.733   2.231
  390    HB   ILE 668           HB       ILE 668   1.010   5.598   2.105
  391   1HG1  ILE 668          2HG1      ILE 668   2.092   4.433   4.680
  392   2HG1  ILE 668          1HG1      ILE 668   2.106   6.140   4.250
  393   1HG2  ILE 668          2HG2      ILE 668   1.345   2.721   2.936
  394   2HG2  ILE 668          1HG2      ILE 668  -0.187   3.589   2.855
  395   3HG2  ILE 668          3HG2      ILE 668   0.741   3.302   1.384
  396   1HD1  ILE 668          1HD1      ILE 668  -0.343   4.443   4.656
  397   2HD1  ILE 668          3HD1      ILE 668   0.308   5.626   5.791
  398   3HD1  ILE 668          2HD1      ILE 668  -0.330   6.155   4.232
  399    H    LEU 669           HN       LEU 669   3.215   2.223   1.700
  400    HA   LEU 669           HA       LEU 669   4.044   1.580   4.328
  401   1HB   LEU 669           HB2      LEU 669   3.060   0.130   2.218
  402   2HB   LEU 669           HB1      LEU 669   4.727  -0.404   2.292
  403    HG   LEU 669           HG       LEU 669   2.835  -0.452   4.644
  404   1HD1  LEU 669          3HD1      LEU 669   2.054  -1.957   2.905
  405   2HD1  LEU 669          2HD1      LEU 669   3.655  -2.688   2.802
  406   3HD1  LEU 669          1HD1      LEU 669   2.699  -2.860   4.274
  407   1HD2  LEU 669          2HD2      LEU 669   5.566  -1.674   4.227
  408   2HD2  LEU 669          1HD2      LEU 669   5.160  -0.339   5.306
  409   3HD2  LEU 669          3HD2      LEU 669   4.522  -1.952   5.622
  410    H    THR 670           HN       THR 670   5.836   2.063   1.310
  411    HA   THR 670           HA       THR 670   8.345   1.357   2.440
  412    HB   THR 670           HB       THR 670   8.134   1.361   0.026
  413    HG1  THR 670           HG1      THR 670  10.161   2.128   1.217
  414   1HG2  THR 670          3HG2      THR 670   6.530   3.215  -0.202
  415   2HG2  THR 670          2HG2      THR 670   7.810   4.355   0.214
  416   3HG2  THR 670          1HG2      THR 670   7.923   3.405  -1.267
  417    H    THR 671           HN       THR 671   6.494   4.354   2.293
  418    HA   THR 671           HA       THR 671   8.568   6.069   3.172
  419    HB   THR 671           HB       THR 671   5.579   6.368   3.595
  420    HG1  THR 671           HG1      THR 671   6.137   6.173   1.369
  421   1HG2  THR 671          1HG2      THR 671   6.907   7.874   5.008
  422   2HG2  THR 671          3HG2      THR 671   7.779   8.442   3.584
  423   3HG2  THR 671          2HG2      THR 671   6.053   8.766   3.747
  424    H    LYS 672           HN       LYS 672   6.189   4.093   4.897
  425    HA   LYS 672           HA       LYS 672   6.851   5.043   7.491
  426   1HB   LYS 672           HB2      LYS 672   5.671   2.372   6.706
  427   2HB   LYS 672           HB1      LYS 672   5.660   3.070   8.319
  428   1HG   LYS 672           HG2      LYS 672   4.255   4.904   7.513
  429   2HG   LYS 672           HG1      LYS 672   4.263   4.192   5.898
  430   1HD   LYS 672           HD2      LYS 672   2.314   3.294   6.655
  431   2HD   LYS 672           HD1      LYS 672   3.425   2.067   7.258
  432   1HE   LYS 672           HE2      LYS 672   2.269   4.375   8.816
  433   2HE   LYS 672           HE1      LYS 672   1.840   2.676   8.982
  434   1HZ   LYS 672           HZ3      LYS 672   4.131   2.238   9.717
  435   2HZ   LYS 672           HZ2      LYS 672   4.469   3.896   9.626
  436   3HZ   LYS 672           HZ1      LYS 672   3.325   3.329  10.733
  437    H    GLU 673           HN       GLU 673   7.970   2.336   5.525
  438    HA   GLU 673           HA       GLU 673   9.647   1.162   7.475
  439   1HB   GLU 673           HB2      GLU 673   9.773   1.071   4.456
  440   2HB   GLU 673           HB1      GLU 673  10.718   0.042   5.524
  441   1HG   GLU 673           HG2      GLU 673   7.725   0.113   5.646
  442   2HG   GLU 673           HG1      GLU 673   8.588  -0.920   4.507
  443    H    LEU 674           HN       LEU 674  10.212   3.551   4.942
  444    HA   LEU 674           HA       LEU 674  13.019   3.808   5.428
  445   1HB   LEU 674           HB2      LEU 674  11.041   4.885   3.627
  446   2HB   LEU 674           HB1      LEU 674  12.109   6.152   4.186
  447    HG   LEU 674           HG       LEU 674  12.982   5.300   2.136
  448   1HD1  LEU 674          3HD1      LEU 674  14.561   4.167   4.433
  449   2HD1  LEU 674          2HD1      LEU 674  15.174   4.477   2.810
  450   3HD1  LEU 674          1HD1      LEU 674  14.644   5.819   3.822
  451   1HD2  LEU 674          1HD2      LEU 674  12.842   2.559   3.386
  452   2HD2  LEU 674          3HD2      LEU 674  11.810   3.167   2.091
  453   3HD2  LEU 674          2HD2      LEU 674  13.535   2.939   1.808
  454    H    LYS 675           HN       LYS 675  10.184   5.198   6.842
  455    HA   LYS 675           HA       LYS 675  11.642   7.306   8.166
  456   1HB   LYS 675           HB2      LYS 675   9.208   7.493   7.627
  457   2HB   LYS 675           HB1      LYS 675   8.890   6.224   8.803
  458   1HG   LYS 675           HG2      LYS 675   9.768   7.619  10.581
  459   2HG   LYS 675           HG1      LYS 675  10.155   8.884   9.414
  460   1HD   LYS 675           HD2      LYS 675   7.767   9.069   8.858
  461   2HD   LYS 675           HD1      LYS 675   7.405   7.842  10.074
  462   1HE   LYS 675           HE2      LYS 675   8.385   9.289  11.799
  463   2HE   LYS 675           HE1      LYS 675   8.691  10.523  10.577
  464   1HZ   LYS 675           HZ3      LYS 675   6.018   9.484  11.357
  465   2HZ   LYS 675           HZ2      LYS 675   6.672  10.981  11.814
  466   3HZ   LYS 675           HZ1      LYS 675   6.315  10.675  10.186
  467    H    LYS 676           HN       LYS 676  10.432   4.085   8.909
  468    HA   LYS 676           HA       LYS 676  11.192   4.003  11.624
  469   1HB   LYS 676           HB2      LYS 676   9.668   2.386  10.378
  470   2HB   LYS 676           HB1      LYS 676  11.123   1.661   9.712
  471   1HG   LYS 676           HG2      LYS 676  11.871   1.027  11.912
  472   2HG   LYS 676           HG1      LYS 676  10.507   1.867  12.651
  473   1HD   LYS 676           HD2      LYS 676   9.696  -0.270  12.646
  474   2HD   LYS 676           HD1      LYS 676   9.114   0.278  11.075
  475   1HE   LYS 676           HE2      LYS 676  11.680  -1.235  11.507
  476   2HE   LYS 676           HE1      LYS 676  10.155  -1.990  11.060
  477   1HZ   LYS 676           HZ1      LYS 676  11.569   0.067   9.451
  478   2HZ   LYS 676           HZ3      LYS 676  11.633  -1.597   9.169
  479   3HZ   LYS 676           HZ2      LYS 676  10.163  -0.772   8.994
  480    H    ASP 677           HN       ASP 677  12.804   2.929   8.662
  481    HA   ASP 677           HA       ASP 677  15.412   3.305   9.962
  482   1HB   ASP 677           HB2      ASP 677  14.738   0.961   8.165
  483   2HB   ASP 677           HB1      ASP 677  16.285   1.278   8.938
  484    H    SER 678           HN       SER 678  16.579   4.681   8.747
  485    HA   SER 678           HA       SER 678  15.600   5.502   6.188
  486   1HB   SER 678           HB2      SER 678  17.639   6.961   6.169
  487   2HB   SER 678           HB1      SER 678  16.656   7.144   7.623
  488    HG   SER 678           HG       SER 678  18.135   5.951   8.772
  489    H    SER 679           HN       SER 679  17.817   3.107   7.271
  490    HA   SER 679           HA       SER 679  18.663   2.678   4.479
  491   1HB   SER 679           HB2      SER 679  20.477   3.118   6.201
  492   2HB   SER 679           HB1      SER 679  20.025   1.592   6.958
  493    HG   SER 679           HG       SER 679  20.946   0.511   5.378
  494    H    ARG 680           HN       ARG 680  16.118   1.896   5.227
  495    HA   ARG 680           HA       ARG 680  16.264  -0.907   6.004
  496   1HB   ARG 680           HB2      ARG 680  14.379   1.039   6.461
  497   2HB   ARG 680           HB1      ARG 680  13.658   0.131   5.141
  498   1HG   ARG 680           HG2      ARG 680  14.547  -0.972   7.796
  499   2HG   ARG 680           HG1      ARG 680  12.888  -0.724   7.258
  500   1HD   ARG 680           HD2      ARG 680  13.300  -2.351   5.426
  501   2HD   ARG 680           HD1      ARG 680  14.898  -2.655   6.110
  502    HE   ARG 680           HE       ARG 680  13.897  -3.726   7.947
  503   1HH1  ARG 680          1HH1      ARG 680  11.603  -2.627   5.587
  504   2HH1  ARG 680          2HH1      ARG 680  10.257  -3.472   6.281
  505   1HH2  ARG 680          1HH2      ARG 680  12.152  -4.918   8.858
  506   2HH2  ARG 680          2HH2      ARG 680  10.578  -4.819   8.124
  507    H    ALA 681           HN       ALA 681  17.116  -2.025   4.342
  508    HA   ALA 681           HA       ALA 681  16.376  -1.690   1.621
  509   1HB   ALA 681           HB2      ALA 681  17.626  -4.072   2.993
  510   2HB   ALA 681           HB1      ALA 681  17.571  -3.788   1.253
  511   3HB   ALA 681           HB3      ALA 681  18.504  -2.712   2.293
  512    HA   PRO 682           HA       PRO 682  12.419  -3.726   1.746
  513   1HB   PRO 682           HB2      PRO 682  12.331  -4.373  -0.940
  514   2HB   PRO 682           HB1      PRO 682  11.861  -2.806  -0.274
  515   1HG   PRO 682           HG2      PRO 682  14.401  -3.618  -1.602
  516   2HG   PRO 682           HG1      PRO 682  13.517  -2.086  -1.702
  517   1HD   PRO 682           HD2      PRO 682  15.748  -2.379  -0.195
  518   2HD   PRO 682           HD1      PRO 682  14.421  -1.289   0.261
  519    HA   PRO 683           HA       PRO 683  13.859  -7.951   2.199
  520   1HB   PRO 683           HB2      PRO 683  11.321  -9.043   2.379
  521   2HB   PRO 683           HB1      PRO 683  12.239  -8.400   3.743
  522   1HG   PRO 683           HG2      PRO 683  10.076  -7.115   2.138
  523   2HG   PRO 683           HG1      PRO 683  10.387  -7.032   3.879
  524   1HD   PRO 683           HD2      PRO 683  11.033  -5.004   2.245
  525   2HD   PRO 683           HD1      PRO 683  12.049  -5.435   3.638
  526    H    ASP 684           HN       ASP 684  13.826  -9.838   0.899
  527    HA   ASP 684           HA       ASP 684  13.903  -9.385  -1.799
  528   1HB   ASP 684           HB2      ASP 684  13.529 -11.964  -0.285
  529   2HB   ASP 684           HB1      ASP 684  13.765 -11.913  -2.034
  530    H    ASP 685           HN       ASP 685  11.340 -11.347  -0.263
  531    HA   ASP 685           HA       ASP 685   9.377 -10.095  -2.004
  532   1HB   ASP 685           HB2      ASP 685   8.484 -12.236  -2.829
  533   2HB   ASP 685           HB1      ASP 685  10.131 -11.969  -3.385
  534    H    LEU 686           HN       LEU 686   7.218 -11.347  -1.614
  535    HA   LEU 686           HA       LEU 686   6.549 -10.653   1.055
  536   1HB   LEU 686           HB2      LEU 686   5.190 -10.431  -1.099
  537   2HB   LEU 686           HB1      LEU 686   4.845 -12.138  -0.929
  538    HG   LEU 686           HG       LEU 686   3.106 -10.443  -0.099
  539   1HD1  LEU 686          1HD1      LEU 686   4.068 -12.657   1.687
  540   2HD1  LEU 686          3HD1      LEU 686   2.465 -11.920   1.727
  541   3HD1  LEU 686          2HD1      LEU 686   2.985 -12.824   0.304
  542   1HD2  LEU 686          3HD2      LEU 686   5.071 -10.336   2.190
  543   2HD2  LEU 686          2HD2      LEU 686   4.606  -8.992   1.147
  544   3HD2  LEU 686          1HD2      LEU 686   3.419  -9.718   2.230
  545    H    THR 687           HN       THR 687   7.620 -11.979   2.451
  546    HA   THR 687           HA       THR 687   7.142 -14.838   2.385
  547    HB   THR 687           HB       THR 687   8.503 -14.826   4.490
  548    HG1  THR 687           HG1      THR 687   9.676 -12.703   4.746
  549   1HG2  THR 687          2HG2      THR 687   9.737 -13.461   2.094
  550   2HG2  THR 687          1HG2      THR 687  10.636 -14.241   3.398
  551   3HG2  THR 687          3HG2      THR 687   9.593 -15.202   2.346
  552    H    LYS 688           HN       LYS 688   6.317 -15.865   4.490
  553    HA   LYS 688           HA       LYS 688   3.727 -14.900   4.944
  554   1HB   LYS 688           HB2      LYS 688   3.587 -16.613   6.720
  555   2HB   LYS 688           HB1      LYS 688   4.233 -17.243   5.212
  556   1HG   LYS 688           HG2      LYS 688   6.526 -16.925   6.201
  557   2HG   LYS 688           HG1      LYS 688   5.721 -16.609   7.739
  558   1HD   LYS 688           HD2      LYS 688   4.663 -18.799   7.651
  559   2HD   LYS 688           HD1      LYS 688   5.413 -19.114   6.085
  560   1HE   LYS 688           HE2      LYS 688   7.639 -18.764   7.249
  561   2HE   LYS 688           HE1      LYS 688   6.746 -18.837   8.766
  562   1HZ   LYS 688           HZ3      LYS 688   6.802 -20.974   6.702
  563   2HZ   LYS 688           HZ2      LYS 688   7.680 -20.984   8.153
  564   3HZ   LYS 688           HZ1      LYS 688   5.989 -21.051   8.189
  565    H    GLY 689           HN       GLY 689   6.718 -14.274   6.618
  566   1HA   GLY 689           HA1      GLY 689   7.242 -12.851   8.340
  567   2HA   GLY 689           HA2      GLY 689   5.659 -13.224   9.015
  568    H    LYS 690           HN       LYS 690   6.821 -11.495   6.105
  569    HA   LYS 690           HA       LYS 690   5.782  -9.006   7.098
  570   1HB   LYS 690           HB2      LYS 690   7.834  -9.168   5.660
  571   2HB   LYS 690           HB1      LYS 690   6.796  -9.605   4.309
  572   1HG   LYS 690           HG2      LYS 690   7.413  -7.233   4.271
  573   2HG   LYS 690           HG1      LYS 690   5.671  -7.459   4.437
  574   1HD   LYS 690           HD2      LYS 690   5.997  -7.197   6.927
  575   2HD   LYS 690           HD1      LYS 690   7.652  -6.695   6.576
  576   1HE   LYS 690           HE2      LYS 690   5.216  -5.362   5.404
  577   2HE   LYS 690           HE1      LYS 690   5.998  -4.824   6.887
  578   1HZ   LYS 690           HZ2      LYS 690   7.536  -5.099   4.384
  579   2HZ   LYS 690           HZ1      LYS 690   6.639  -3.701   4.705
  580   3HZ   LYS 690           HZ3      LYS 690   7.887  -4.158   5.751
  581    H    ARG 691           HN       ARG 691   4.601 -11.612   5.185
  582    HA   ARG 691           HA       ARG 691   2.522 -10.430   3.765
  583   1HB   ARG 691           HB2      ARG 691   3.032 -12.759   3.450
  584   2HB   ARG 691           HB1      ARG 691   2.683 -13.119   5.126
  585   1HG   ARG 691           HG2      ARG 691   0.316 -12.504   4.720
  586   2HG   ARG 691           HG1      ARG 691   0.708 -12.275   3.017
  587   1HD   ARG 691           HD2      ARG 691   1.113 -14.860   4.515
  588   2HD   ARG 691           HD1      ARG 691  -0.325 -14.483   3.570
  589    HE   ARG 691           HE       ARG 691   2.393 -14.854   2.477
  590   1HH1  ARG 691          1HH1      ARG 691  -1.094 -14.708   2.051
  591   2HH1  ARG 691          2HH1      ARG 691  -1.043 -15.350   0.433
  592   1HH2  ARG 691          1HH2      ARG 691   2.449 -15.702   0.357
  593   2HH2  ARG 691          2HH2      ARG 691   0.965 -15.949  -0.513
  594    H    HIS 692           HN       HIS 692   2.570 -11.650   7.081
  595    HA   HIS 692           HA       HIS 692  -0.072 -11.034   7.761
  596   1HB   HIS 692           HB2      HIS 692   1.418 -12.478   9.108
  597   2HB   HIS 692           HB1      HIS 692   2.370 -11.067   9.553
  598    HD1  HIS 692           HD1      HIS 692   1.778 -10.108  11.744
  599    HD2  HIS 692           HD2      HIS 692  -1.426 -12.128  10.031
  600    HE1  HIS 692           HE1      HIS 692  -0.079  -9.999  13.439
  601    HE2  HIS 692           HE2      HIS 692  -1.932 -11.404  12.463
  602    H    LYS 693           HN       LYS 693   2.863  -9.095   7.804
  603    HA   LYS 693           HA       LYS 693   1.763  -6.882   9.199
  604   1HB   LYS 693           HB2      LYS 693   4.154  -7.072   7.364
  605   2HB   LYS 693           HB1      LYS 693   3.756  -5.656   8.326
  606   1HG   LYS 693           HG2      LYS 693   4.378  -8.389   9.429
  607   2HG   LYS 693           HG1      LYS 693   5.504  -7.032   9.354
  608   1HD   LYS 693           HD2      LYS 693   3.947  -5.725  10.776
  609   2HD   LYS 693           HD1      LYS 693   2.925  -7.155  10.917
  610   1HE   LYS 693           HE2      LYS 693   4.781  -8.374  11.950
  611   2HE   LYS 693           HE1      LYS 693   5.800  -6.942  11.810
  612   1HZ   LYS 693           HZ2      LYS 693   4.208  -5.763  13.241
  613   2HZ   LYS 693           HZ1      LYS 693   3.327  -7.198  13.438
  614   3HZ   LYS 693           HZ3      LYS 693   4.916  -7.091  14.024
  615    H    VAL 694           HN       VAL 694   2.295  -7.499   5.721
  616    HA   VAL 694           HA       VAL 694   1.321  -4.939   4.945
  617    HB   VAL 694           HB       VAL 694   1.392  -5.701   2.660
  618   1HG1  VAL 694          1HG1      VAL 694   3.738  -6.711   4.256
  619   2HG1  VAL 694          3HG1      VAL 694   3.747  -6.362   2.528
  620   3HG1  VAL 694          2HG1      VAL 694   3.485  -5.060   3.689
  621   1HG2  VAL 694          1HG2      VAL 694   0.451  -7.936   2.929
  622   2HG2  VAL 694          3HG2      VAL 694   1.989  -8.000   2.068
  623   3HG2  VAL 694          2HG2      VAL 694   1.910  -8.462   3.768
  624    H    LYS 695           HN       LYS 695  -0.179  -8.110   5.331
  625    HA   LYS 695           HA       LYS 695  -2.600  -7.500   3.965
  626   1HB   LYS 695           HB2      LYS 695  -1.683  -9.813   4.690
  627   2HB   LYS 695           HB1      LYS 695  -2.424  -9.464   6.248
  628   1HG   LYS 695           HG2      LYS 695  -4.414  -8.899   4.395
  629   2HG   LYS 695           HG1      LYS 695  -3.641 -10.361   3.785
  630   1HD   LYS 695           HD2      LYS 695  -5.379 -11.100   5.198
  631   2HD   LYS 695           HD1      LYS 695  -3.897 -11.300   6.136
  632   1HE   LYS 695           HE2      LYS 695  -4.347  -9.240   7.335
  633   2HE   LYS 695           HE1      LYS 695  -5.772  -8.943   6.344
  634   1HZ   LYS 695           HZ1      LYS 695  -6.759 -10.974   7.253
  635   2HZ   LYS 695           HZ3      LYS 695  -5.400 -11.198   8.246
  636   3HZ   LYS 695           HZ2      LYS 695  -6.397  -9.849   8.472
  637    H    GLU 696           HN       GLU 696  -1.649  -7.362   7.417
  638    HA   GLU 696           HA       GLU 696  -4.162  -6.661   8.454
  639   1HB   GLU 696           HB2      GLU 696  -1.389  -6.027   9.476
  640   2HB   GLU 696           HB1      GLU 696  -2.858  -5.694  10.379
  641   1HG   GLU 696           HG2      GLU 696  -1.847  -8.391   9.523
  642   2HG   GLU 696           HG1      GLU 696  -1.853  -7.732  11.157
  643    H    PHE 697           HN       PHE 697  -1.483  -4.636   7.345
  644    HA   PHE 697           HA       PHE 697  -2.684  -2.170   7.981
  645   1HB   PHE 697           HB2      PHE 697  -0.377  -2.031   7.622
  646   2HB   PHE 697           HB1      PHE 697  -0.449  -2.999   6.152
  647    HD1  PHE 697           HD1      PHE 697  -1.472   0.296   7.543
  648    HD2  PHE 697           HD2      PHE 697  -0.497  -1.979   4.082
  649    HE1  PHE 697           HE1      PHE 697  -1.564   2.341   6.175
  650    HE2  PHE 697           HE2      PHE 697  -0.583   0.058   2.713
  651    HZ   PHE 697           HZ       PHE 697  -1.122   2.215   3.752
  652    H    ILE 698           HN       ILE 698  -2.536  -4.052   4.970
  653    HA   ILE 698           HA       ILE 698  -3.884  -2.073   3.467
  654    HB   ILE 698           HB       ILE 698  -2.391  -3.854   2.512
  655   1HG1  ILE 698          2HG1      ILE 698  -5.075  -3.703   1.126
  656   2HG1  ILE 698          1HG1      ILE 698  -4.019  -2.294   1.291
  657   1HG2  ILE 698          3HG2      ILE 698  -3.377  -5.804   3.594
  658   2HG2  ILE 698          2HG2      ILE 698  -4.887  -5.531   2.725
  659   3HG2  ILE 698          1HG2      ILE 698  -3.425  -5.960   1.837
  660   1HD1  ILE 698          1HD1      ILE 698  -2.259  -3.483   0.121
  661   2HD1  ILE 698          3HD1      ILE 698  -3.312  -4.885  -0.046
  662   3HD1  ILE 698          2HD1      ILE 698  -3.725  -3.371  -0.848
  663    H    ASN 699           HN       ASN 699  -5.018  -4.908   5.251
  664    HA   ASN 699           HA       ASN 699  -7.589  -5.063   4.162
  665   1HB   ASN 699           HB2      ASN 699  -6.782  -6.841   5.546
  666   2HB   ASN 699           HB1      ASN 699  -6.557  -5.755   6.915
  667   1HD2  ASN 699          1HD2      ASN 699  -8.319  -5.076   8.093
  668   2HD2  ASN 699          2HD2      ASN 699  -9.865  -5.871   7.985
  669    H    SER 700           HN       SER 700  -6.568  -3.377   7.134
  670    HA   SER 700           HA       SER 700  -9.005  -2.096   7.632
  671   1HB   SER 700           HB2      SER 700  -7.112  -2.290   9.240
  672   2HB   SER 700           HB1      SER 700  -6.240  -1.091   8.295
  673    HG   SER 700           HG       SER 700  -8.412  -0.783  10.007
  674    H    TYR 701           HN       TYR 701  -6.204  -1.112   5.699
  675    HA   TYR 701           HA       TYR 701  -7.058   1.491   5.063
  676   1HB   TYR 701           HB2      TYR 701  -4.779   0.796   4.688
  677   2HB   TYR 701           HB1      TYR 701  -5.292  -0.466   3.578
  678    HD1  TYR 701           HD1      TYR 701  -6.629   2.960   3.549
  679    HD2  TYR 701           HD2      TYR 701  -3.941   0.228   1.706
  680    HE1  TYR 701           HE1      TYR 701  -6.310   4.539   1.698
  681    HE2  TYR 701           HE2      TYR 701  -3.625   1.798  -0.164
  682    HH   TYR 701           HH       TYR 701  -4.679   3.671  -1.207
  683    H    MET 702           HN       MET 702  -7.609  -1.584   3.422
  684    HA   MET 702           HA       MET 702  -9.068  -0.717   1.188
  685   1HB   MET 702           HB2      MET 702  -9.337  -3.262   2.819
  686   2HB   MET 702           HB1      MET 702 -10.033  -3.015   1.227
  687   1HG   MET 702           HG2      MET 702  -7.960  -3.068   0.178
  688   2HG   MET 702           HG1      MET 702  -7.092  -2.747   1.679
  689   1HE   MET 702           HE2      MET 702  -6.837  -5.125  -0.721
  690   2HE   MET 702           HE1      MET 702  -5.572  -4.823   0.468
  691   3HE   MET 702           HE3      MET 702  -6.228  -6.448   0.274
  692    H    ASP 703           HN       ASP 703 -10.126  -1.795   4.386
  693    HA   ASP 703           HA       ASP 703 -12.895  -1.606   3.960
  694   1HB   ASP 703           HB2      ASP 703 -11.600  -2.767   5.878
  695   2HB   ASP 703           HB1      ASP 703 -11.578  -1.182   6.636
  696    H    LYS 704           HN       LYS 704 -10.498   0.698   5.009
  697    HA   LYS 704           HA       LYS 704 -12.204   2.660   6.066
  698   1HB   LYS 704           HB2      LYS 704  -9.770   2.540   6.478
  699   2HB   LYS 704           HB1      LYS 704  -9.480   3.021   4.813
  700   1HG   LYS 704           HG2      LYS 704 -10.462   5.177   5.207
  701   2HG   LYS 704           HG1      LYS 704 -10.952   4.697   6.833
  702   1HD   LYS 704           HD2      LYS 704  -8.601   4.432   7.460
  703   2HD   LYS 704           HD1      LYS 704  -8.113   4.913   5.834
  704   1HE   LYS 704           HE2      LYS 704  -9.071   7.101   6.148
  705   2HE   LYS 704           HE1      LYS 704  -9.721   6.628   7.717
  706   1HZ   LYS 704           HZ1      LYS 704  -6.828   6.741   7.048
  707   2HZ   LYS 704           HZ3      LYS 704  -7.677   7.944   7.888
  708   3HZ   LYS 704           HZ2      LYS 704  -7.496   6.399   8.565
  709    H    ILE 705           HN       ILE 705 -11.205   2.002   2.747
  710    HA   ILE 705           HA       ILE 705 -12.136   4.550   1.781
  711    HB   ILE 705           HB       ILE 705 -11.673   2.118   0.068
  712   1HG1  ILE 705          2HG1      ILE 705  -9.742   2.439   1.634
  713   2HG1  ILE 705          1HG1      ILE 705  -9.318   2.637  -0.061
  714   1HG2  ILE 705          3HG2      ILE 705 -11.355   5.084  -0.404
  715   2HG2  ILE 705          2HG2      ILE 705 -11.006   3.822  -1.586
  716   3HG2  ILE 705          1HG2      ILE 705 -12.658   4.060  -1.011
  717   1HD1  ILE 705          2HD1      ILE 705  -9.406   5.075   0.226
  718   2HD1  ILE 705          1HD1      ILE 705  -9.791   4.845   1.933
  719   3HD1  ILE 705          3HD1      ILE 705  -8.234   4.315   1.300
  720    H    ILE 706           HN       ILE 706 -13.319   1.286   2.090
  721    HA   ILE 706           HA       ILE 706 -15.621   1.612   0.447
  722    HB   ILE 706           HB       ILE 706 -15.130  -0.456   2.595
  723   1HG1  ILE 706          2HG1      ILE 706 -14.553  -0.581  -0.375
  724   2HG1  ILE 706          1HG1      ILE 706 -13.334  -0.381   0.879
  725   1HG2  ILE 706          3HG2      ILE 706 -17.002  -0.434   0.229
  726   2HG2  ILE 706          2HG2      ILE 706 -16.733  -1.806   1.301
  727   3HG2  ILE 706          1HG2      ILE 706 -17.461  -0.328   1.927
  728   1HD1  ILE 706          2HD1      ILE 706 -13.927  -2.570   1.790
  729   2HD1  ILE 706          1HD1      ILE 706 -15.130  -2.765   0.516
  730   3HD1  ILE 706          3HD1      ILE 706 -13.418  -2.671   0.102
  731    H    LEU 707           HN       LEU 707 -14.977   1.852   3.928
  732    HA   LEU 707           HA       LEU 707 -17.733   2.258   4.577
  733   1HB   LEU 707           HB2      LEU 707 -16.974   2.824   6.816
  734   2HB   LEU 707           HB1      LEU 707 -16.232   1.346   6.247
  735    HG   LEU 707           HG       LEU 707 -14.232   2.942   5.627
  736   1HD1  LEU 707          1HD1      LEU 707 -15.606   4.481   7.826
  737   2HD1  LEU 707          3HD1      LEU 707 -13.973   4.773   7.225
  738   3HD1  LEU 707          2HD1      LEU 707 -15.362   5.030   6.168
  739   1HD2  LEU 707          1HD2      LEU 707 -14.147   1.095   7.217
  740   2HD2  LEU 707          3HD2      LEU 707 -13.258   2.496   7.814
  741   3HD2  LEU 707          2HD2      LEU 707 -14.858   2.128   8.460
  742    H    LYS 708           HN       LYS 708 -15.056   4.354   3.753
  743    HA   LYS 708           HA       LYS 708 -16.379   6.792   4.398
  744   1HB   LYS 708           HB2      LYS 708 -13.906   6.546   4.082
  745   2HB   LYS 708           HB1      LYS 708 -14.190   6.347   2.359
  746   1HG   LYS 708           HG2      LYS 708 -13.491   8.626   2.936
  747   2HG   LYS 708           HG1      LYS 708 -15.099   8.584   2.210
  748   1HD   LYS 708           HD2      LYS 708 -16.113   8.754   4.423
  749   2HD   LYS 708           HD1      LYS 708 -14.516   8.756   5.167
  750   1HE   LYS 708           HE2      LYS 708 -15.484  10.832   3.210
  751   2HE   LYS 708           HE1      LYS 708 -15.550  11.010   4.962
  752   1HZ   LYS 708           HZ2      LYS 708 -13.072  10.635   3.361
  753   2HZ   LYS 708           HZ1      LYS 708 -13.601  12.095   4.033
  754   3HZ   LYS 708           HZ3      LYS 708 -13.151  10.815   5.046
  755    H    LYS 709           HN       LYS 709 -16.111   4.802   1.510
  756    HA   LYS 709           HA       LYS 709 -17.569   6.420  -0.264
  757   1HB   LYS 709           HB2      LYS 709 -16.227   4.446  -0.922
  758   2HB   LYS 709           HB1      LYS 709 -17.394   3.400  -0.131
  759   1HG   LYS 709           HG2      LYS 709 -17.708   3.393  -2.531
  760   2HG   LYS 709           HG1      LYS 709 -19.109   4.097  -1.723
  761   1HD   LYS 709           HD2      LYS 709 -18.456   6.300  -2.330
  762   2HD   LYS 709           HD1      LYS 709 -16.871   5.749  -2.878
  763   1HE   LYS 709           HE2      LYS 709 -19.457   4.851  -4.125
  764   2HE   LYS 709           HE1      LYS 709 -18.546   6.251  -4.691
  765   1HZ   LYS 709           HZ1      LYS 709 -17.491   3.470  -4.550
  766   2HZ   LYS 709           HZ3      LYS 709 -18.038   4.241  -5.958
  767   3HZ   LYS 709           HZ2      LYS 709 -16.675   4.828  -5.151
  768    H    LYS 710           HN       LYS 710 -18.565   3.865   1.967
  769    HA   LYS 710           HA       LYS 710 -21.343   4.000   1.430
  770   1HB   LYS 710           HB2      LYS 710 -20.112   2.105   2.541
  771   2HB   LYS 710           HB1      LYS 710 -19.999   3.100   3.983
  772   1HG   LYS 710           HG2      LYS 710 -22.477   3.203   4.041
  773   2HG   LYS 710           HG1      LYS 710 -22.509   2.071   2.688
  774   1HD   LYS 710           HD2      LYS 710 -21.199   0.475   4.089
  775   2HD   LYS 710           HD1      LYS 710 -21.388   1.589   5.447
  776   1HE   LYS 710           HE2      LYS 710 -23.085  -0.051   5.672
  777   2HE   LYS 710           HE1      LYS 710 -23.873   1.417   5.098
  778   1HZ   LYS 710           HZ1      LYS 710 -23.690   0.449   2.813
  779   2HZ   LYS 710           HZ3      LYS 710 -23.194  -1.007   3.530
  780   3HZ   LYS 710           HZ2      LYS 710 -24.738  -0.380   3.856
  781    H    GLN 711           HN       GLN 711 -19.203   5.829   3.460
  782    HA   GLN 711           HA       GLN 711 -21.126   6.975   5.185
  783   1HB   GLN 711           HB2      GLN 711 -18.614   6.940   5.495
  784   2HB   GLN 711           HB1      GLN 711 -18.525   8.229   4.307
  785   1HG   GLN 711           HG2      GLN 711 -19.760   9.708   5.727
  786   2HG   GLN 711           HG1      GLN 711 -20.077   8.408   6.876
  787   1HE2  GLN 711          1HE2      GLN 711 -18.758  10.958   7.332
  788   2HE2  GLN 711          2HE2      GLN 711 -17.174  10.576   7.921
  789    H    LYS 712           HN       LYS 712 -20.086   7.677   1.939
  790    HA   LYS 712           HA       LYS 712 -21.583  10.173   1.833
  791   1HB   LYS 712           HB2      LYS 712 -20.099   8.641  -0.315
  792   2HB   LYS 712           HB1      LYS 712 -20.891  10.191  -0.557
  793   1HG   LYS 712           HG2      LYS 712 -18.619   9.698   1.355
  794   2HG   LYS 712           HG1      LYS 712 -18.453  10.374  -0.266
  795   1HD   LYS 712           HD2      LYS 712 -20.054  11.577   1.994
  796   2HD   LYS 712           HD1      LYS 712 -18.462  12.120   1.462
  797   1HE   LYS 712           HE2      LYS 712 -21.014  12.165  -0.150
  798   2HE   LYS 712           HE1      LYS 712 -20.189  13.558   0.547
  799   1HZ   LYS 712           HZ1      LYS 712 -18.236  12.909  -0.874
  800   2HZ   LYS 712           HZ3      LYS 712 -19.271  11.831  -1.682
  801   3HZ   LYS 712           HZ2      LYS 712 -19.590  13.495  -1.707
  802    H    LYS 713           HN       LYS 713 -21.584   6.993   0.305
  803    HA   LYS 713           HA       LYS 713 -24.490   7.240  -0.112
  804   1HB   LYS 713           HB2      LYS 713 -22.542   5.915  -2.016
  805   2HB   LYS 713           HB1      LYS 713 -24.283   6.045  -2.231
  806   1HG   LYS 713           HG2      LYS 713 -24.077   8.484  -2.364
  807   2HG   LYS 713           HG1      LYS 713 -22.331   8.340  -2.170
  808   1HD   LYS 713           HD2      LYS 713 -22.802   8.616  -4.501
  809   2HD   LYS 713           HD1      LYS 713 -22.288   6.948  -4.242
  810   1HE   LYS 713           HE2      LYS 713 -24.597   6.203  -4.287
  811   2HE   LYS 713           HE1      LYS 713 -25.154   7.868  -4.451
  812   1HZ   LYS 713           HZ3      LYS 713 -23.988   7.991  -6.583
  813   2HZ   LYS 713           HZ2      LYS 713 -23.514   6.368  -6.425
  814   3HZ   LYS 713           HZ1      LYS 713 -25.154   6.757  -6.582
  815    H    ALA 714           HN       ALA 714 -25.228   5.948   1.458
  816    HA   ALA 714           HA       ALA 714 -23.673   3.714   2.391
  817   1HB   ALA 714           HB3      ALA 714 -26.399   4.635   3.280
  818   2HB   ALA 714           HB1      ALA 714 -24.864   5.201   3.939
  819   3HB   ALA 714           HB2      ALA 714 -25.336   3.511   4.131

  No H/Q in entry =         819
  Start of MODEL   10
    1    H    VAL 622           HN       VAL 622  24.078  11.675  -2.459
    2    HA   VAL 622           HA       VAL 622  21.886  11.004  -4.278
    3    HB   VAL 622           HB       VAL 622  24.324   9.325  -3.645
    4   1HG1  VAL 622          1HG1      VAL 622  22.447   8.123  -4.657
    5   2HG1  VAL 622          3HG1      VAL 622  22.421   9.283  -5.987
    6   3HG1  VAL 622          2HG1      VAL 622  23.816   8.227  -5.763
    7   1HG2  VAL 622          3HG2      VAL 622  23.955  11.333  -5.866
    8   2HG2  VAL 622          2HG2      VAL 622  25.077  11.464  -4.511
    9   3HG2  VAL 622          1HG2      VAL 622  25.301  10.203  -5.724
   10    H    SER 623           HN       SER 623  20.493  11.076  -2.318
   11    HA   SER 623           HA       SER 623  20.780   9.470  -0.083
   12   1HB   SER 623           HB2      SER 623  18.196  10.315  -1.408
   13   2HB   SER 623           HB1      SER 623  18.389   9.817   0.272
   14    HG   SER 623           HG       SER 623  20.111  11.672   0.091
   15    H    GLN 624           HN       GLN 624  20.904   7.402   0.136
   16    HA   GLN 624           HA       GLN 624  20.332   5.500  -1.859
   17   1HB   GLN 624           HB2      GLN 624  20.646   5.090   1.121
   18   2HB   GLN 624           HB1      GLN 624  20.744   3.832  -0.103
   19   1HG   GLN 624           HG2      GLN 624  22.606   6.182   0.144
   20   2HG   GLN 624           HG1      GLN 624  22.950   4.534   0.665
   21   1HE2  GLN 624          1HE2      GLN 624  24.268   6.260  -1.326
   22   2HE2  GLN 624          2HE2      GLN 624  24.255   5.356  -2.801
   23    H    SER 625           HN       SER 625  18.494   6.701   0.874
   24    HA   SER 625           HA       SER 625  16.379   4.833   0.744
   25   1HB   SER 625           HB2      SER 625  15.169   6.882   1.905
   26   2HB   SER 625           HB1      SER 625  16.423   5.971   2.749
   27    HG   SER 625           HG       SER 625  16.489   8.561   1.694
   28    H    GLN 626           HN       GLN 626  17.062   7.812  -0.940
   29    HA   GLN 626           HA       GLN 626  14.509   8.193  -2.113
   30   1HB   GLN 626           HB2      GLN 626  16.414   9.878  -1.944
   31   2HB   GLN 626           HB1      GLN 626  17.159   9.036  -3.292
   32   1HG   GLN 626           HG2      GLN 626  15.204   9.524  -4.675
   33   2HG   GLN 626           HG1      GLN 626  14.475  10.391  -3.323
   34   1HE2  GLN 626          1HE2      GLN 626  17.880  10.458  -4.101
   35   2HE2  GLN 626          2HE2      GLN 626  17.942  12.120  -4.583
   36    H    ARG 627           HN       ARG 627  17.377   6.377  -2.982
   37    HA   ARG 627           HA       ARG 627  16.412   5.447  -5.507
   38   1HB   ARG 627           HB2      ARG 627  18.509   4.259  -3.704
   39   2HB   ARG 627           HB1      ARG 627  18.253   3.838  -5.385
   40   1HG   ARG 627           HG2      ARG 627  18.946   6.632  -4.554
   41   2HG   ARG 627           HG1      ARG 627  20.185   5.405  -4.810
   42   1HD   ARG 627           HD2      ARG 627  20.076   6.473  -6.864
   43   2HD   ARG 627           HD1      ARG 627  19.057   5.056  -7.099
   44    HE   ARG 627           HE       ARG 627  17.210   6.813  -6.439
   45   1HH1  ARG 627          1HH1      ARG 627  19.994   7.232  -8.538
   46   2HH1  ARG 627          2HH1      ARG 627  19.225   8.451  -9.516
   47   1HH2  ARG 627          1HH2      ARG 627  16.209   8.433  -7.710
   48   2HH2  ARG 627          2HH2      ARG 627  17.086   9.131  -9.042
   49    H    LEU 628           HN       LEU 628  16.210   4.414  -2.187
   50    HA   LEU 628           HA       LEU 628  15.462   1.737  -2.702
   51   1HB   LEU 628           HB2      LEU 628  15.453   3.458  -0.280
   52   2HB   LEU 628           HB1      LEU 628  14.548   1.958  -0.254
   53    HG   LEU 628           HG       LEU 628  17.509   2.298  -0.650
   54   1HD1  LEU 628          3HD1      LEU 628  15.862   0.867   1.434
   55   2HD1  LEU 628          2HD1      LEU 628  17.626   0.884   1.353
   56   3HD1  LEU 628          1HD1      LEU 628  16.742   2.380   1.664
   57   1HD2  LEU 628          3HD2      LEU 628  16.690   0.601  -2.197
   58   2HD2  LEU 628          2HD2      LEU 628  17.625  -0.129  -0.892
   59   3HD2  LEU 628          1HD2      LEU 628  15.863  -0.217  -0.873
   60    H    GLU 629           HN       GLU 629  13.571   4.675  -2.609
   61    HA   GLU 629           HA       GLU 629  11.088   3.487  -2.048
   62   1HB   GLU 629           HB2      GLU 629  11.847   5.953  -3.586
   63   2HB   GLU 629           HB1      GLU 629  10.177   5.399  -3.570
   64   1HG   GLU 629           HG2      GLU 629  10.423   5.399  -1.009
   65   2HG   GLU 629           HG1      GLU 629  11.854   6.389  -1.295
   66    H    HIS 630           HN       HIS 630  12.826   3.920  -5.078
   67    HA   HIS 630           HA       HIS 630  10.883   2.718  -6.740
   68   1HB   HIS 630           HB2      HIS 630  12.685   4.178  -7.596
   69   2HB   HIS 630           HB1      HIS 630  13.868   2.943  -7.184
   70    HD1  HIS 630           HD1      HIS 630  11.152   3.734  -9.643
   71    HD2  HIS 630           HD2      HIS 630  14.018   0.796  -8.963
   72    HE1  HIS 630           HE1      HIS 630  11.206   2.333 -11.732
   73    HE2  HIS 630           HE2      HIS 630  12.767   0.431 -11.197
   74    H    ASN 631           HN       ASN 631  13.721   1.435  -5.037
   75    HA   ASN 631           HA       ASN 631  13.520  -1.202  -6.051
   76   1HB   ASN 631           HB2      ASN 631  14.780  -0.081  -3.550
   77   2HB   ASN 631           HB1      ASN 631  14.800  -1.804  -3.910
   78   1HD2  ASN 631          1HD2      ASN 631  15.055  -1.422  -6.768
   79   2HD2  ASN 631          2HD2      ASN 631  16.686  -0.914  -7.047
   80    H    TRP 632           HN       TRP 632  12.305   0.337  -3.118
   81    HA   TRP 632           HA       TRP 632  10.929  -1.849  -2.062
   82   1HB   TRP 632           HB2      TRP 632  10.870   1.076  -1.715
   83   2HB   TRP 632           HB1      TRP 632   9.391   0.237  -1.264
   84    HD1  TRP 632           HD1      TRP 632  12.884   0.940  -0.041
   85    HE1  TRP 632           HE1      TRP 632  13.218  -0.178   2.257
   86    HE3  TRP 632           HE3      TRP 632   8.680  -1.929   0.064
   87    HZ2  TRP 632           HZ2      TRP 632  11.850  -2.033   3.897
   88    HZ3  TRP 632           HZ3      TRP 632   8.257  -3.340   2.023
   89    HH2  TRP 632           HH2      TRP 632   9.799  -3.393   3.892
   90    H    ASN 633           HN       ASN 633   9.969   0.537  -4.503
   91    HA   ASN 633           HA       ASN 633   7.271  -0.077  -4.771
   92   1HB   ASN 633           HB2      ASN 633   9.245   0.619  -6.959
   93   2HB   ASN 633           HB1      ASN 633   7.507   0.545  -7.190
   94   1HD2  ASN 633          1HD2      ASN 633   7.119   1.738  -4.441
   95   2HD2  ASN 633          2HD2      ASN 633   7.438   3.417  -4.667
   96    H    LYS 634           HN       LYS 634  10.061  -1.588  -6.347
   97    HA   LYS 634           HA       LYS 634   8.605  -3.411  -7.909
   98   1HB   LYS 634           HB2      LYS 634  10.987  -2.803  -8.267
   99   2HB   LYS 634           HB1      LYS 634  11.415  -3.723  -6.831
  100   1HG   LYS 634           HG2      LYS 634  10.781  -5.774  -7.861
  101   2HG   LYS 634           HG1      LYS 634  10.052  -4.928  -9.228
  102   1HD   LYS 634           HD2      LYS 634  12.258  -4.072  -9.868
  103   2HD   LYS 634           HD1      LYS 634  12.984  -4.925  -8.505
  104   1HE   LYS 634           HE2      LYS 634  11.464  -6.271 -10.733
  105   2HE   LYS 634           HE1      LYS 634  13.217  -6.090 -10.700
  106   1HZ   LYS 634           HZ2      LYS 634  11.600  -7.542  -8.668
  107   2HZ   LYS 634           HZ1      LYS 634  12.524  -8.261  -9.896
  108   3HZ   LYS 634           HZ3      LYS 634  13.290  -7.376  -8.666
  109    H    PHE 635           HN       PHE 635   9.883  -3.635  -4.624
  110    HA   PHE 635           HA       PHE 635   9.344  -6.345  -4.155
  111   1HB   PHE 635           HB2      PHE 635  10.690  -5.160  -2.580
  112   2HB   PHE 635           HB1      PHE 635   9.424  -3.971  -2.295
  113    HD1  PHE 635           HD1      PHE 635   8.316  -4.145  -0.301
  114    HD2  PHE 635           HD2      PHE 635   9.811  -7.686  -2.122
  115    HE1  PHE 635           HE1      PHE 635   7.468  -5.470   1.590
  116    HE2  PHE 635           HE2      PHE 635   8.967  -9.017  -0.235
  117    HZ   PHE 635           HZ       PHE 635   7.793  -7.911   1.624
  118    H    PHE 636           HN       PHE 636   7.314  -3.510  -3.331
  119    HA   PHE 636           HA       PHE 636   5.159  -5.127  -2.444
  120   1HB   PHE 636           HB2      PHE 636   5.412  -2.196  -3.064
  121   2HB   PHE 636           HB1      PHE 636   3.853  -2.906  -2.653
  122    HD1  PHE 636           HD1      PHE 636   4.458  -4.798  -0.519
  123    HD2  PHE 636           HD2      PHE 636   6.139  -0.971  -1.288
  124    HE1  PHE 636           HE1      PHE 636   5.006  -4.558   1.852
  125    HE2  PHE 636           HE2      PHE 636   6.687  -0.729   1.083
  126    HZ   PHE 636           HZ       PHE 636   6.124  -2.717   2.665
  127    H    ALA 637           HN       ALA 637   5.956  -3.641  -5.512
  128    HA   ALA 637           HA       ALA 637   3.526  -4.068  -6.848
  129   1HB   ALA 637           HB1      ALA 637   6.302  -4.054  -8.021
  130   2HB   ALA 637           HB3      ALA 637   4.795  -3.847  -8.912
  131   3HB   ALA 637           HB2      ALA 637   5.298  -2.633  -7.735
  132    H    SER 638           HN       SER 638   5.953  -6.295  -5.860
  133    HA   SER 638           HA       SER 638   5.470  -8.284  -7.821
  134   1HB   SER 638           HB2      SER 638   6.645  -8.532  -5.048
  135   2HB   SER 638           HB1      SER 638   6.682  -9.793  -6.281
  136    HG   SER 638           HG       SER 638   7.845  -7.199  -6.477
  137    H    PHE 639           HN       PHE 639   4.085  -7.720  -4.568
  138    HA   PHE 639           HA       PHE 639   2.321 -10.013  -5.098
  139   1HB   PHE 639           HB2      PHE 639   1.964 -10.122  -2.624
  140   2HB   PHE 639           HB1      PHE 639   3.579 -10.532  -3.179
  141    HD1  PHE 639           HD1      PHE 639   1.553  -8.013  -1.388
  142    HD2  PHE 639           HD2      PHE 639   5.461  -9.219  -2.584
  143    HE1  PHE 639           HE1      PHE 639   2.531  -6.462   0.240
  144    HE2  PHE 639           HE2      PHE 639   6.439  -7.654  -0.964
  145    HZ   PHE 639           HZ       PHE 639   4.973  -6.283   0.454
  146    H    VAL 640           HN       VAL 640   2.314  -6.664  -4.015
  147    HA   VAL 640           HA       VAL 640  -0.220  -6.493  -2.954
  148    HB   VAL 640           HB       VAL 640   1.435  -4.445  -4.407
  149   1HG1  VAL 640          1HG1      VAL 640  -0.923  -3.895  -4.797
  150   2HG1  VAL 640          3HG1      VAL 640  -1.228  -3.979  -3.061
  151   3HG1  VAL 640          2HG1      VAL 640  -0.156  -2.736  -3.711
  152   1HG2  VAL 640          2HG2      VAL 640   2.181  -5.173  -2.195
  153   2HG2  VAL 640          1HG2      VAL 640   1.644  -3.494  -2.168
  154   3HG2  VAL 640          3HG2      VAL 640   0.603  -4.763  -1.522
  155    HA   PRO 641           HA       PRO 641  -1.985  -5.305  -7.414
  156   1HB   PRO 641           HB2      PRO 641  -0.106  -7.045  -8.948
  157   2HB   PRO 641           HB1      PRO 641  -0.884  -5.531  -9.427
  158   1HG   PRO 641           HG2      PRO 641   1.671  -5.556  -8.732
  159   2HG   PRO 641           HG1      PRO 641   0.613  -4.229  -8.213
  160   1HD   PRO 641           HD2      PRO 641   1.649  -6.559  -6.654
  161   2HD   PRO 641           HD1      PRO 641   1.387  -4.884  -6.134
  162    H    ASN 642           HN       ASN 642  -0.507  -8.473  -6.762
  163    HA   ASN 642           HA       ASN 642  -2.465  -9.997  -8.128
  164   1HB   ASN 642           HB2      ASN 642  -0.503 -10.738  -5.962
  165   2HB   ASN 642           HB1      ASN 642  -1.585 -11.906  -6.713
  166   1HD2  ASN 642          1HD2      ASN 642   1.189  -9.876  -7.151
  167   2HD2  ASN 642          2HD2      ASN 642   1.724 -10.592  -8.630
  168    H    LEU 643           HN       LEU 643  -2.176  -8.917  -4.789
  169    HA   LEU 643           HA       LEU 643  -4.223 -10.545  -3.731
  170   1HB   LEU 643           HB2      LEU 643  -2.795  -8.085  -2.820
  171   2HB   LEU 643           HB1      LEU 643  -4.244  -8.556  -1.956
  172    HG   LEU 643           HG       LEU 643  -3.225 -10.748  -1.454
  173   1HD1  LEU 643          3HD1      LEU 643  -0.767  -9.604  -2.768
  174   2HD1  LEU 643          2HD1      LEU 643  -0.843 -11.109  -1.851
  175   3HD1  LEU 643          1HD1      LEU 643  -1.736 -10.952  -3.363
  176   1HD2  LEU 643          2HD2      LEU 643  -1.582  -8.354  -0.657
  177   2HD2  LEU 643          1HD2      LEU 643  -3.021  -8.962   0.160
  178   3HD2  LEU 643          3HD2      LEU 643  -1.544  -9.926   0.143
  179    H    ILE 644           HN       ILE 644  -4.295  -7.152  -4.783
  180    HA   ILE 644           HA       ILE 644  -7.137  -6.992  -4.327
  181    HB   ILE 644           HB       ILE 644  -5.526  -4.910  -5.721
  182   1HG1  ILE 644          2HG1      ILE 644  -5.770  -5.419  -2.755
  183   2HG1  ILE 644          1HG1      ILE 644  -4.307  -5.595  -3.727
  184   1HG2  ILE 644          1HG2      ILE 644  -7.948  -4.594  -5.652
  185   2HG2  ILE 644          3HG2      ILE 644  -7.920  -4.770  -3.897
  186   3HG2  ILE 644          2HG2      ILE 644  -7.125  -3.392  -4.655
  187   1HD1  ILE 644          2HD1      ILE 644  -5.758  -3.006  -3.246
  188   2HD1  ILE 644          1HD1      ILE 644  -4.288  -3.531  -2.426
  189   3HD1  ILE 644          3HD1      ILE 644  -4.265  -3.213  -4.160
  190    H    LYS 645           HN       LYS 645  -5.110  -7.685  -7.040
  191    HA   LYS 645           HA       LYS 645  -6.359  -6.637  -9.217
  192   1HB   LYS 645           HB2      LYS 645  -4.349  -7.970  -9.396
  193   2HB   LYS 645           HB1      LYS 645  -5.220  -9.415  -8.912
  194   1HG   LYS 645           HG2      LYS 645  -6.597  -9.177 -10.988
  195   2HG   LYS 645           HG1      LYS 645  -5.506  -7.879 -11.481
  196   1HD   LYS 645           HD2      LYS 645  -4.880 -10.051 -12.469
  197   2HD   LYS 645           HD1      LYS 645  -3.617  -9.400 -11.421
  198   1HE   LYS 645           HE2      LYS 645  -4.399 -10.852  -9.598
  199   2HE   LYS 645           HE1      LYS 645  -5.635 -11.518 -10.664
  200   1HZ   LYS 645           HZ3      LYS 645  -2.708 -11.700 -11.148
  201   2HZ   LYS 645           HZ2      LYS 645  -3.657 -12.937 -10.477
  202   3HZ   LYS 645           HZ1      LYS 645  -3.930 -12.429 -12.070
  203    H    LYS 646           HN       LYS 646  -7.407  -9.444  -7.383
  204    HA   LYS 646           HA       LYS 646 -10.083  -9.307  -8.287
  205   1HB   LYS 646           HB2      LYS 646  -9.027 -10.138 -10.378
  206   2HB   LYS 646           HB1      LYS 646  -8.452 -11.545  -9.498
  207   1HG   LYS 646           HG2      LYS 646 -10.726 -12.263  -9.091
  208   2HG   LYS 646           HG1      LYS 646 -11.349 -10.810  -9.876
  209   1HD   LYS 646           HD2      LYS 646 -11.445 -12.673 -11.412
  210   2HD   LYS 646           HD1      LYS 646 -10.253 -11.494 -11.963
  211   1HE   LYS 646           HE2      LYS 646  -9.362 -13.724 -12.231
  212   2HE   LYS 646           HE1      LYS 646  -8.468 -12.879 -10.968
  213   1HZ   LYS 646           HZ3      LYS 646 -10.678 -14.803 -10.466
  214   2HZ   LYS 646           HZ2      LYS 646  -9.033 -15.198 -10.392
  215   3HZ   LYS 646           HZ1      LYS 646  -9.686 -14.081  -9.297
  216    H    ASN 647           HN       ASN 647  -9.855  -9.367  -5.843
  217    HA   ASN 647           HA       ASN 647 -10.122 -12.185  -5.031
  218   1HB   ASN 647           HB2      ASN 647  -8.021 -10.310  -4.122
  219   2HB   ASN 647           HB1      ASN 647  -8.793 -11.277  -2.871
  220   1HD2  ASN 647          1HD2      ASN 647  -6.066 -11.301  -4.095
  221   2HD2  ASN 647          2HD2      ASN 647  -5.811 -12.944  -4.564
  222    HA   PRO 648           HA       PRO 648 -13.438 -11.071  -2.286
  223   1HB   PRO 648           HB2      PRO 648 -11.574 -11.256   0.056
  224   2HB   PRO 648           HB1      PRO 648 -13.216 -11.891  -0.125
  225   1HG   PRO 648           HG2      PRO 648 -11.126 -13.508  -0.374
  226   2HG   PRO 648           HG1      PRO 648 -12.527 -13.667  -1.452
  227   1HD   PRO 648           HD2      PRO 648  -9.823 -12.566  -2.010
  228   2HD   PRO 648           HD1      PRO 648 -10.951 -13.397  -3.096
  229    H    GLN 649           HN       GLN 649 -10.320  -9.499  -1.593
  230    HA   GLN 649           HA       GLN 649 -11.431  -7.221  -0.344
  231   1HB   GLN 649           HB2      GLN 649  -9.158  -6.205  -1.221
  232   2HB   GLN 649           HB1      GLN 649  -9.207  -7.332   0.123
  233   1HG   GLN 649           HG2      GLN 649  -8.859  -8.432  -2.612
  234   2HG   GLN 649           HG1      GLN 649  -7.497  -7.597  -1.863
  235   1HE2  GLN 649          1HE2      GLN 649  -6.543  -8.477  -0.025
  236   2HE2  GLN 649          2HE2      GLN 649  -6.812 -10.114   0.457
  237    H    SER 650           HN       SER 650 -10.560  -7.899  -3.731
  238    HA   SER 650           HA       SER 650 -11.242  -5.282  -4.640
  239   1HB   SER 650           HB2      SER 650 -10.958  -6.153  -6.863
  240   2HB   SER 650           HB1      SER 650  -9.690  -6.827  -5.848
  241    HG   SER 650           HG       SER 650 -11.735  -8.076  -7.178
  242    H    LYS 651           HN       LYS 651 -12.936  -8.322  -4.268
  243    HA   LYS 651           HA       LYS 651 -15.310  -7.605  -5.611
  244   1HB   LYS 651           HB2      LYS 651 -14.734  -9.562  -3.396
  245   2HB   LYS 651           HB1      LYS 651 -16.357  -9.335  -4.032
  246   1HG   LYS 651           HG2      LYS 651 -15.602  -9.995  -6.248
  247   2HG   LYS 651           HG1      LYS 651 -13.954 -10.173  -5.642
  248   1HD   LYS 651           HD2      LYS 651 -14.567 -12.005  -4.257
  249   2HD   LYS 651           HD1      LYS 651 -16.287 -11.713  -4.523
  250   1HE   LYS 651           HE2      LYS 651 -15.458 -13.634  -5.812
  251   2HE   LYS 651           HE1      LYS 651 -16.066 -12.346  -6.851
  252   1HZ   LYS 651           HZ2      LYS 651 -13.773 -11.632  -7.224
  253   2HZ   LYS 651           HZ1      LYS 651 -13.203 -12.897  -6.248
  254   3HZ   LYS 651           HZ3      LYS 651 -13.998 -13.240  -7.707
  255    H    GLN 652           HN       GLN 652 -13.944  -6.578  -2.645
  256    HA   GLN 652           HA       GLN 652 -16.483  -5.458  -1.728
  257   1HB   GLN 652           HB2      GLN 652 -13.740  -5.405  -0.454
  258   2HB   GLN 652           HB1      GLN 652 -15.225  -4.811   0.276
  259   1HG   GLN 652           HG2      GLN 652 -14.745  -7.665  -0.522
  260   2HG   GLN 652           HG1      GLN 652 -14.499  -7.021   1.091
  261   1HE2  GLN 652          1HE2      GLN 652 -16.297  -9.112   0.222
  262   2HE2  GLN 652          2HE2      GLN 652 -17.894  -8.596   0.634
  263    H    PHE 653           HN       PHE 653 -13.451  -4.711  -3.242
  264    HA   PHE 653           HA       PHE 653 -13.458  -1.911  -2.635
  265   1HB   PHE 653           HB2      PHE 653 -11.833  -3.779  -4.154
  266   2HB   PHE 653           HB1      PHE 653 -11.933  -2.201  -4.896
  267    HD1  PHE 653           HD1      PHE 653 -12.152  -0.654  -2.290
  268    HD2  PHE 653           HD2      PHE 653  -9.537  -3.741  -3.587
  269    HE1  PHE 653           HE1      PHE 653 -10.472   0.105  -0.686
  270    HE2  PHE 653           HE2      PHE 653  -7.842  -2.980  -1.978
  271    HZ   PHE 653           HZ       PHE 653  -8.124  -0.933  -0.836
  272    H    ASP 654           HN       ASP 654 -13.350  -0.289  -4.354
  273    HA   ASP 654           HA       ASP 654 -15.516  -0.570  -6.287
  274   1HB   ASP 654           HB2      ASP 654 -14.181   1.865  -5.126
  275   2HB   ASP 654           HB1      ASP 654 -15.291   1.941  -6.488
  276    H    HIS 655           HN       HIS 655 -14.952   1.112  -8.210
  277    HA   HIS 655           HA       HIS 655 -12.678  -0.018  -9.560
  278   1HB   HIS 655           HB2      HIS 655 -14.561   2.238 -10.273
  279   2HB   HIS 655           HB1      HIS 655 -13.229   1.744 -11.310
  280    HD1  HIS 655           HD1      HIS 655 -14.934   1.085 -13.161
  281    HD2  HIS 655           HD2      HIS 655 -15.313  -1.079  -9.628
  282    HE1  HIS 655           HE1      HIS 655 -16.397  -0.879 -13.720
  283    HE2  HIS 655           HE2      HIS 655 -16.763  -2.065 -11.530
  284    H    GLU 656           HN       GLU 656 -13.496   3.107  -8.193
  285    HA   GLU 656           HA       GLU 656 -11.183   4.514  -8.900
  286   1HB   GLU 656           HB2      GLU 656 -11.925   6.096  -7.098
  287   2HB   GLU 656           HB1      GLU 656 -13.179   5.687  -8.262
  288   1HG   GLU 656           HG2      GLU 656 -14.086   4.037  -6.669
  289   2HG   GLU 656           HG1      GLU 656 -12.867   4.527  -5.497
  290    H    ASN 657           HN       ASN 657 -11.998   2.761  -5.930
  291    HA   ASN 657           HA       ASN 657  -9.718   3.754  -4.538
  292   1HB   ASN 657           HB2      ASN 657 -10.440   2.122  -2.751
  293   2HB   ASN 657           HB1      ASN 657 -11.630   3.337  -3.215
  294   1HD2  ASN 657          1HD2      ASN 657 -13.268   2.170  -2.409
  295   2HD2  ASN 657          2HD2      ASN 657 -13.875   0.763  -3.188
  296    H    ILE 658           HN       ILE 658 -10.447   0.773  -6.239
  297    HA   ILE 658           HA       ILE 658  -8.347  -0.772  -5.259
  298    HB   ILE 658           HB       ILE 658 -10.133  -0.886  -7.582
  299   1HG1  ILE 658          2HG1      ILE 658  -9.027  -2.796  -5.530
  300   2HG1  ILE 658          1HG1      ILE 658 -10.676  -2.189  -5.667
  301   1HG2  ILE 658          3HG2      ILE 658  -8.022  -1.042  -8.796
  302   2HG2  ILE 658          2HG2      ILE 658  -7.484  -2.328  -7.714
  303   3HG2  ILE 658          1HG2      ILE 658  -8.858  -2.595  -8.786
  304   1HD1  ILE 658          2HD1      ILE 658 -10.973  -3.472  -7.721
  305   2HD1  ILE 658          1HD1      ILE 658  -9.338  -4.109  -7.548
  306   3HD1  ILE 658          3HD1      ILE 658 -10.564  -4.486  -6.337
  307    H    LYS 659           HN       LYS 659  -8.370   1.526  -7.972
  308    HA   LYS 659           HA       LYS 659  -5.642   1.086  -8.672
  309   1HB   LYS 659           HB2      LYS 659  -7.642   3.238  -9.308
  310   2HB   LYS 659           HB1      LYS 659  -5.958   3.403  -9.791
  311   1HG   LYS 659           HG2      LYS 659  -7.664   1.036 -10.526
  312   2HG   LYS 659           HG1      LYS 659  -7.497   2.472 -11.538
  313   1HD   LYS 659           HD2      LYS 659  -5.129   2.111 -11.755
  314   2HD   LYS 659           HD1      LYS 659  -5.181   0.787 -10.592
  315   1HE   LYS 659           HE2      LYS 659  -6.679   0.768 -13.203
  316   2HE   LYS 659           HE1      LYS 659  -5.058   0.099 -13.006
  317   1HZ   LYS 659           HZ1      LYS 659  -7.448  -0.768 -11.476
  318   2HZ   LYS 659           HZ3      LYS 659  -6.797  -1.591 -12.805
  319   3HZ   LYS 659           HZ2      LYS 659  -5.898  -1.441 -11.376
  320    H    GLN 660           HN       GLN 660  -7.311   3.455  -6.660
  321    HA   GLN 660           HA       GLN 660  -5.126   5.061  -5.963
  322   1HB   GLN 660           HB2      GLN 660  -7.472   5.634  -5.453
  323   2HB   GLN 660           HB1      GLN 660  -7.537   4.320  -4.287
  324   1HG   GLN 660           HG2      GLN 660  -5.540   5.544  -3.180
  325   2HG   GLN 660           HG1      GLN 660  -6.091   6.927  -4.123
  326   1HE2  GLN 660          1HE2      GLN 660  -6.753   4.817  -1.474
  327   2HE2  GLN 660          2HE2      GLN 660  -8.096   5.700  -0.839
  328    H    CYS 661           HN       CYS 661  -6.464   2.170  -4.455
  329    HA   CYS 661           HA       CYS 661  -4.865   2.131  -2.172
  330   1HB   CYS 661           HB2      CYS 661  -6.889   0.812  -2.334
  331   2HB   CYS 661           HB1      CYS 661  -6.195  -0.157  -3.629
  332    HG   CYS 661           HG       CYS 661  -4.117  -0.368  -1.171
  333    H    ALA 662           HN       ALA 662  -4.439   0.322  -5.229
  334    HA   ALA 662           HA       ALA 662  -2.124  -1.032  -4.578
  335   1HB   ALA 662           HB3      ALA 662  -2.839   0.124  -7.268
  336   2HB   ALA 662           HB1      ALA 662  -3.406  -1.418  -6.625
  337   3HB   ALA 662           HB2      ALA 662  -1.692  -1.184  -6.967
  338    H    LYS 663           HN       LYS 663  -2.362   2.185  -6.105
  339    HA   LYS 663           HA       LYS 663   0.415   2.646  -6.256
  340   1HB   LYS 663           HB2      LYS 663  -1.872   4.612  -6.064
  341   2HB   LYS 663           HB1      LYS 663  -0.216   5.049  -6.455
  342   1HG   LYS 663           HG2      LYS 663  -0.311   3.719  -8.476
  343   2HG   LYS 663           HG1      LYS 663  -1.944   3.188  -8.072
  344   1HD   LYS 663           HD2      LYS 663  -1.124   6.055  -8.538
  345   2HD   LYS 663           HD1      LYS 663  -1.898   5.020  -9.741
  346   1HE   LYS 663           HE2      LYS 663  -3.871   4.822  -8.376
  347   2HE   LYS 663           HE1      LYS 663  -3.089   5.682  -7.051
  348   1HZ   LYS 663           HZ2      LYS 663  -3.711   6.848  -9.713
  349   2HZ   LYS 663           HZ1      LYS 663  -4.616   7.096  -8.296
  350   3HZ   LYS 663           HZ3      LYS 663  -3.020   7.664  -8.396
  351    H    ASP 664           HN       ASP 664  -1.959   3.364  -3.755
  352    HA   ASP 664           HA       ASP 664  -0.239   5.004  -2.196
  353   1HB   ASP 664           HB2      ASP 664  -2.783   5.009  -2.194
  354   2HB   ASP 664           HB1      ASP 664  -2.695   3.561  -1.199
  355    H    ILE 665           HN       ILE 665  -1.306   1.620  -1.869
  356    HA   ILE 665           HA       ILE 665  -0.069   1.127   0.589
  357    HB   ILE 665           HB       ILE 665  -1.751  -0.384  -0.289
  358   1HG1  ILE 665          2HG1      ILE 665   0.849  -1.917  -0.084
  359   2HG1  ILE 665          1HG1      ILE 665  -0.002  -1.253   1.311
  360   1HG2  ILE 665          2HG2      ILE 665   0.283  -1.140  -2.371
  361   2HG2  ILE 665          1HG2      ILE 665  -1.265  -1.944  -2.105
  362   3HG2  ILE 665          3HG2      ILE 665  -1.224  -0.266  -2.643
  363   1HD1  ILE 665          1HD1      ILE 665  -1.941  -2.647   0.750
  364   2HD1  ILE 665          3HD1      ILE 665  -1.045  -3.320  -0.610
  365   3HD1  ILE 665          2HD1      ILE 665  -0.489  -3.603   1.039
  366    H    VAL 666           HN       VAL 666   1.240   0.930  -2.707
  367    HA   VAL 666           HA       VAL 666   3.628  -0.382  -1.954
  368    HB   VAL 666           HB       VAL 666   3.058   1.361  -4.357
  369   1HG1  VAL 666          2HG1      VAL 666   5.458   1.156  -3.869
  370   2HG1  VAL 666          1HG1      VAL 666   5.306  -0.598  -3.918
  371   3HG1  VAL 666          3HG1      VAL 666   5.009   0.353  -5.374
  372   1HG2  VAL 666          3HG2      VAL 666   1.621  -0.624  -4.189
  373   2HG2  VAL 666          2HG2      VAL 666   2.739  -0.735  -5.548
  374   3HG2  VAL 666          1HG2      VAL 666   3.055  -1.643  -4.069
  375    H    LYS 667           HN       LYS 667   2.917   3.075  -2.602
  376    HA   LYS 667           HA       LYS 667   5.598   3.838  -1.921
  377   1HB   LYS 667           HB2      LYS 667   4.429   5.123  -3.582
  378   2HB   LYS 667           HB1      LYS 667   3.134   5.491  -2.452
  379   1HG   LYS 667           HG2      LYS 667   4.471   6.965  -1.220
  380   2HG   LYS 667           HG1      LYS 667   5.962   6.351  -1.939
  381   1HD   LYS 667           HD2      LYS 667   3.823   7.746  -3.537
  382   2HD   LYS 667           HD1      LYS 667   5.165   8.605  -2.776
  383   1HE   LYS 667           HE2      LYS 667   5.542   6.304  -4.680
  384   2HE   LYS 667           HE1      LYS 667   5.484   7.986  -5.204
  385   1HZ   LYS 667           HZ1      LYS 667   7.399   7.047  -3.138
  386   2HZ   LYS 667           HZ3      LYS 667   7.753   6.993  -4.794
  387   3HZ   LYS 667           HZ2      LYS 667   7.441   8.478  -4.043
  388    H    ILE 668           HN       ILE 668   2.515   3.898  -0.206
  389    HA   ILE 668           HA       ILE 668   3.440   5.541   1.920
  390    HB   ILE 668           HB       ILE 668   1.066   3.700   1.712
  391   1HG1  ILE 668          2HG1      ILE 668   1.024   5.714   0.305
  392   2HG1  ILE 668          1HG1      ILE 668  -0.199   5.786   1.567
  393   1HG2  ILE 668          1HG2      ILE 668   1.711   3.823   4.057
  394   2HG2  ILE 668          3HG2      ILE 668   1.738   5.585   3.971
  395   3HG2  ILE 668          2HG2      ILE 668   0.216   4.713   3.769
  396   1HD1  ILE 668          3HD1      ILE 668   2.459   7.193   1.617
  397   2HD1  ILE 668          2HD1      ILE 668   0.897   7.929   1.255
  398   3HD1  ILE 668          1HD1      ILE 668   1.215   7.280   2.864
  399    H    LEU 669           HN       LEU 669   3.190   2.009   1.528
  400    HA   LEU 669           HA       LEU 669   3.875   1.454   4.207
  401   1HB   LEU 669           HB2      LEU 669   2.975  -0.076   2.161
  402   2HB   LEU 669           HB1      LEU 669   4.659  -0.558   2.211
  403    HG   LEU 669           HG       LEU 669   2.822  -0.634   4.603
  404   1HD1  LEU 669          2HD1      LEU 669   3.611  -2.865   2.740
  405   2HD1  LEU 669          1HD1      LEU 669   2.720  -3.051   4.252
  406   3HD1  LEU 669          3HD1      LEU 669   2.002  -2.163   2.907
  407   1HD2  LEU 669          2HD2      LEU 669   5.558  -1.811   4.112
  408   2HD2  LEU 669          1HD2      LEU 669   5.156  -0.499   5.216
  409   3HD2  LEU 669          3HD2      LEU 669   4.556  -2.127   5.526
  410    H    THR 670           HN       THR 670   5.866   1.722   1.263
  411    HA   THR 670           HA       THR 670   8.291   1.111   2.580
  412    HB   THR 670           HB       THR 670   8.304   0.998   0.188
  413    HG1  THR 670           HG1      THR 670  10.226   1.806   1.350
  414   1HG2  THR 670          2HG2      THR 670   7.748   3.964   0.181
  415   2HG2  THR 670          1HG2      THR 670   8.119   2.982  -1.238
  416   3HG2  THR 670          3HG2      THR 670   6.632   2.697  -0.331
  417    H    THR 671           HN       THR 671   6.484   4.112   2.208
  418    HA   THR 671           HA       THR 671   8.497   5.841   3.168
  419    HB   THR 671           HB       THR 671   5.488   6.138   3.328
  420    HG1  THR 671           HG1      THR 671   6.171   6.041   1.192
  421   1HG2  THR 671          2HG2      THR 671   7.687   8.177   3.692
  422   2HG2  THR 671          1HG2      THR 671   5.974   8.564   3.521
  423   3HG2  THR 671          3HG2      THR 671   6.534   7.637   4.912
  424    H    LYS 672           HN       LYS 672   6.089   3.854   4.776
  425    HA   LYS 672           HA       LYS 672   6.483   4.894   7.391
  426   1HB   LYS 672           HB2      LYS 672   4.448   3.682   6.749
  427   2HB   LYS 672           HB1      LYS 672   5.389   2.229   6.455
  428   1HG   LYS 672           HG2      LYS 672   5.999   2.187   8.850
  429   2HG   LYS 672           HG1      LYS 672   4.943   3.576   9.109
  430   1HD   LYS 672           HD2      LYS 672   4.067   0.911   7.999
  431   2HD   LYS 672           HD1      LYS 672   3.860   1.425   9.674
  432   1HE   LYS 672           HE2      LYS 672   2.696   2.818   7.266
  433   2HE   LYS 672           HE1      LYS 672   1.815   1.717   8.322
  434   1HZ   LYS 672           HZ3      LYS 672   2.326   3.265  10.175
  435   2HZ   LYS 672           HZ2      LYS 672   2.978   4.352   9.050
  436   3HZ   LYS 672           HZ1      LYS 672   1.330   3.943   8.976
  437    H    GLU 673           HN       GLU 673   7.682   2.046   5.662
  438    HA   GLU 673           HA       GLU 673   9.268   0.997   7.741
  439   1HB   GLU 673           HB2      GLU 673   9.654   0.744   4.748
  440   2HB   GLU 673           HB1      GLU 673  10.381  -0.291   5.966
  441   1HG   GLU 673           HG2      GLU 673   7.416  -0.023   5.550
  442   2HG   GLU 673           HG1      GLU 673   8.406  -1.262   4.779
  443    H    LEU 674           HN       LEU 674   9.984   3.213   5.082
  444    HA   LEU 674           HA       LEU 674  12.789   3.359   5.694
  445   1HB   LEU 674           HB2      LEU 674  11.232   3.860   3.472
  446   2HB   LEU 674           HB1      LEU 674  11.709   5.466   3.991
  447    HG   LEU 674           HG       LEU 674  14.060   4.863   3.819
  448   1HD1  LEU 674          1HD1      LEU 674  13.054   2.165   2.921
  449   2HD1  LEU 674          3HD1      LEU 674  14.735   2.700   2.904
  450   3HD1  LEU 674          2HD1      LEU 674  13.886   2.508   4.439
  451   1HD2  LEU 674          2HD2      LEU 674  12.914   5.726   1.843
  452   2HD2  LEU 674          1HD2      LEU 674  14.175   4.576   1.396
  453   3HD2  LEU 674          3HD2      LEU 674  12.482   4.083   1.372
  454    H    LYS 675           HN       LYS 675  10.023   4.947   6.883
  455    HA   LYS 675           HA       LYS 675  11.438   7.341   7.683
  456   1HB   LYS 675           HB2      LYS 675   8.961   7.288   7.221
  457   2HB   LYS 675           HB1      LYS 675   8.773   6.339   8.688
  458   1HG   LYS 675           HG2      LYS 675   9.635   8.165  10.022
  459   2HG   LYS 675           HG1      LYS 675   9.941   9.112   8.566
  460   1HD   LYS 675           HD2      LYS 675   7.516   9.055   8.071
  461   2HD   LYS 675           HD1      LYS 675   7.255   8.205   9.597
  462   1HE   LYS 675           HE2      LYS 675   8.447  10.960   9.279
  463   2HE   LYS 675           HE1      LYS 675   6.808  10.598   9.821
  464   1HZ   LYS 675           HZ2      LYS 675   7.791   9.404  11.722
  465   2HZ   LYS 675           HZ1      LYS 675   9.332   9.896  11.223
  466   3HZ   LYS 675           HZ3      LYS 675   8.190  11.051  11.711
  467    H    LYS 676           HN       LYS 676  10.433   4.275   9.058
  468    HA   LYS 676           HA       LYS 676  11.506   4.830  11.668
  469   1HB   LYS 676           HB2      LYS 676  10.818   2.197  10.345
  470   2HB   LYS 676           HB1      LYS 676  11.214   2.401  12.045
  471   1HG   LYS 676           HG2      LYS 676   8.897   3.817  10.761
  472   2HG   LYS 676           HG1      LYS 676   8.761   2.196  11.437
  473   1HD   LYS 676           HD2      LYS 676   8.037   3.673  13.135
  474   2HD   LYS 676           HD1      LYS 676   9.658   3.158  13.599
  475   1HE   LYS 676           HE2      LYS 676  10.577   5.249  12.739
  476   2HE   LYS 676           HE1      LYS 676   8.967   5.758  12.230
  477   1HZ   LYS 676           HZ3      LYS 676   9.766   5.205  15.039
  478   2HZ   LYS 676           HZ2      LYS 676   9.641   6.748  14.350
  479   3HZ   LYS 676           HZ1      LYS 676   8.257   5.783  14.518
  480    H    ASP 677           HN       ASP 677  12.553   2.757   8.970
  481    HA   ASP 677           HA       ASP 677  15.334   3.120   9.884
  482   1HB   ASP 677           HB2      ASP 677  14.166   0.814   8.304
  483   2HB   ASP 677           HB1      ASP 677  15.865   1.005   8.715
  484    H    SER 678           HN       SER 678  16.202   4.665   8.662
  485    HA   SER 678           HA       SER 678  15.117   5.384   6.130
  486   1HB   SER 678           HB2      SER 678  17.158   6.945   6.111
  487   2HB   SER 678           HB1      SER 678  15.974   7.170   7.396
  488    HG   SER 678           HG       SER 678  17.328   6.048   8.805
  489    H    SER 679           HN       SER 679  17.457   3.112   7.087
  490    HA   SER 679           HA       SER 679  18.233   2.780   4.262
  491   1HB   SER 679           HB2      SER 679  20.101   3.407   5.879
  492   2HB   SER 679           HB1      SER 679  19.855   1.837   6.639
  493    HG   SER 679           HG       SER 679  21.411   1.468   5.164
  494    H    ARG 680           HN       ARG 680  15.848   1.802   5.163
  495    HA   ARG 680           HA       ARG 680  16.161  -0.961   6.002
  496   1HB   ARG 680           HB2      ARG 680  14.268   0.788   6.615
  497   2HB   ARG 680           HB1      ARG 680  13.562   0.236   5.107
  498   1HG   ARG 680           HG2      ARG 680  14.261  -1.545   7.432
  499   2HG   ARG 680           HG1      ARG 680  12.656  -0.903   7.088
  500   1HD   ARG 680           HD2      ARG 680  12.772  -2.049   4.865
  501   2HD   ARG 680           HD1      ARG 680  14.265  -2.815   5.406
  502    HE   ARG 680           HE       ARG 680  11.757  -3.153   6.908
  503   1HH1  ARG 680          1HH1      ARG 680  14.470  -4.521   5.164
  504   2HH1  ARG 680          2HH1      ARG 680  14.122  -6.153   5.652
  505   1HH2  ARG 680          1HH2      ARG 680  11.285  -5.279   7.531
  506   2HH2  ARG 680          2HH2      ARG 680  12.299  -6.588   6.984
  507    H    ALA 681           HN       ALA 681  17.130  -2.034   4.298
  508    HA   ALA 681           HA       ALA 681  16.326  -1.756   1.592
  509   1HB   ALA 681           HB3      ALA 681  17.728  -4.072   2.930
  510   2HB   ALA 681           HB2      ALA 681  17.627  -3.785   1.193
  511   3HB   ALA 681           HB1      ALA 681  18.517  -2.661   2.219
  512    HA   PRO 682           HA       PRO 682  12.473  -3.954   1.783
  513   1HB   PRO 682           HB2      PRO 682  12.274  -4.518  -0.899
  514   2HB   PRO 682           HB1      PRO 682  11.843  -2.963  -0.180
  515   1HG   PRO 682           HG2      PRO 682  14.329  -3.762  -1.622
  516   2HG   PRO 682           HG1      PRO 682  13.435  -2.232  -1.682
  517   1HD   PRO 682           HD2      PRO 682  15.717  -2.530  -0.258
  518   2HD   PRO 682           HD1      PRO 682  14.411  -1.440   0.246
  519    HA   PRO 683           HA       PRO 683  13.871  -8.205   1.968
  520   1HB   PRO 683           HB2      PRO 683  11.342  -9.298   2.124
  521   2HB   PRO 683           HB1      PRO 683  12.265  -8.701   3.507
  522   1HG   PRO 683           HG2      PRO 683  10.098  -7.361   1.949
  523   2HG   PRO 683           HG1      PRO 683  10.394  -7.356   3.695
  524   1HD   PRO 683           HD2      PRO 683  11.043  -5.256   2.155
  525   2HD   PRO 683           HD1      PRO 683  12.051  -5.744   3.538
  526    H    ASP 684           HN       ASP 684  13.326 -10.248   0.752
  527    HA   ASP 684           HA       ASP 684  13.621  -9.768  -1.989
  528   1HB   ASP 684           HB2      ASP 684  12.731 -12.323  -0.624
  529   2HB   ASP 684           HB1      ASP 684  13.342 -12.202  -2.275
  530    H    ASP 685           HN       ASP 685  10.949 -11.612  -0.584
  531    HA   ASP 685           HA       ASP 685   9.010 -10.074  -2.096
  532   1HB   ASP 685           HB2      ASP 685   8.079 -11.848  -3.315
  533   2HB   ASP 685           HB1      ASP 685   9.809 -12.067  -3.526
  534    H    LEU 686           HN       LEU 686   6.782 -11.417  -1.626
  535    HA   LEU 686           HA       LEU 686   6.321 -10.649   1.047
  536   1HB   LEU 686           HB2      LEU 686   4.747 -10.657  -0.967
  537   2HB   LEU 686           HB1      LEU 686   4.514 -12.363  -0.646
  538    HG   LEU 686           HG       LEU 686   2.786 -10.691   0.260
  539   1HD1  LEU 686          2HD1      LEU 686   4.068 -12.744   2.024
  540   2HD1  LEU 686          1HD1      LEU 686   2.463 -12.048   2.270
  541   3HD1  LEU 686          3HD1      LEU 686   2.796 -13.014   0.833
  542   1HD2  LEU 686          2HD2      LEU 686   4.985 -10.319   2.287
  543   2HD2  LEU 686          1HD2      LEU 686   4.332  -9.084   1.210
  544   3HD2  LEU 686          3HD2      LEU 686   3.318  -9.778   2.476
  545    H    THR 687           HN       THR 687   7.554 -11.763   2.440
  546    HA   THR 687           HA       THR 687   7.237 -14.654   2.665
  547    HB   THR 687           HB       THR 687   8.948 -14.213   4.596
  548    HG1  THR 687           HG1      THR 687   9.758 -12.025   3.061
  549   1HG2  THR 687          1HG2      THR 687   9.710 -13.847   1.694
  550   2HG2  THR 687          3HG2      THR 687  10.807 -14.314   2.994
  551   3HG2  THR 687          2HG2      THR 687   9.493 -15.391   2.521
  552    H    LYS 688           HN       LYS 688   7.026 -15.431   5.068
  553    HA   LYS 688           HA       LYS 688   4.382 -14.801   5.696
  554   1HB   LYS 688           HB2      LYS 688   5.528 -16.932   6.263
  555   2HB   LYS 688           HB1      LYS 688   6.390 -16.093   7.547
  556   1HG   LYS 688           HG2      LYS 688   4.249 -15.574   8.627
  557   2HG   LYS 688           HG1      LYS 688   3.405 -16.447   7.349
  558   1HD   LYS 688           HD2      LYS 688   5.476 -17.694   9.150
  559   2HD   LYS 688           HD1      LYS 688   3.745 -17.735   9.476
  560   1HE   LYS 688           HE2      LYS 688   4.225 -19.792   8.446
  561   2HE   LYS 688           HE1      LYS 688   3.493 -18.806   7.183
  562   1HZ   LYS 688           HZ2      LYS 688   6.428 -19.017   7.509
  563   2HZ   LYS 688           HZ1      LYS 688   5.547 -20.120   6.570
  564   3HZ   LYS 688           HZ3      LYS 688   5.562 -18.476   6.157
  565    H    GLY 689           HN       GLY 689   7.366 -13.599   7.150
  566   1HA   GLY 689           HA1      GLY 689   7.760 -11.853   8.586
  567   2HA   GLY 689           HA2      GLY 689   6.312 -12.388   9.426
  568    H    LYS 690           HN       LYS 690   6.975 -10.831   6.293
  569    HA   LYS 690           HA       LYS 690   5.580  -8.447   7.114
  570   1HB   LYS 690           HB2      LYS 690   7.592  -8.384   5.664
  571   2HB   LYS 690           HB1      LYS 690   6.687  -9.204   4.401
  572   1HG   LYS 690           HG2      LYS 690   6.835  -6.823   3.968
  573   2HG   LYS 690           HG1      LYS 690   5.166  -7.315   4.241
  574   1HD   LYS 690           HD2      LYS 690   5.370  -5.326   5.445
  575   2HD   LYS 690           HD1      LYS 690   5.547  -6.581   6.669
  576   1HE   LYS 690           HE2      LYS 690   7.898  -5.276   5.316
  577   2HE   LYS 690           HE1      LYS 690   7.167  -4.624   6.777
  578   1HZ   LYS 690           HZ3      LYS 690   7.589  -6.888   7.786
  579   2HZ   LYS 690           HZ2      LYS 690   8.571  -7.210   6.439
  580   3HZ   LYS 690           HZ1      LYS 690   8.958  -5.933   7.480
  581    H    ARG 691           HN       ARG 691   4.793 -11.378   5.550
  582    HA   ARG 691           HA       ARG 691   2.668 -10.768   3.905
  583   1HB   ARG 691           HB2      ARG 691   3.570 -12.964   3.980
  584   2HB   ARG 691           HB1      ARG 691   3.203 -13.133   5.681
  585   1HG   ARG 691           HG2      ARG 691   0.839 -13.267   5.202
  586   2HG   ARG 691           HG1      ARG 691   1.145 -12.955   3.488
  587   1HD   ARG 691           HD2      ARG 691   2.474 -15.003   3.355
  588   2HD   ARG 691           HD1      ARG 691   2.176 -15.315   5.062
  589    HE   ARG 691           HE       ARG 691  -0.274 -15.394   4.326
  590   1HH1  ARG 691          1HH1      ARG 691   2.401 -16.276   2.257
  591   2HH1  ARG 691          2HH1      ARG 691   1.527 -17.514   1.413
  592   1HH2  ARG 691          1HH2      ARG 691  -1.444 -17.044   3.231
  593   2HH2  ARG 691          2HH2      ARG 691  -0.650 -17.975   1.993
  594    H    HIS 692           HN       HIS 692   2.521 -11.466   7.415
  595    HA   HIS 692           HA       HIS 692  -0.295 -11.016   7.493
  596   1HB   HIS 692           HB2      HIS 692   0.895 -12.403   9.198
  597   2HB   HIS 692           HB1      HIS 692   1.625 -10.929   9.831
  598    HD1  HIS 692           HD1      HIS 692  -1.552 -12.862   9.777
  599    HD2  HIS 692           HD2      HIS 692  -0.173  -9.215  11.225
  600    HE1  HIS 692           HE1      HIS 692  -3.340 -12.031  11.334
  601    HE2  HIS 692           HE2      HIS 692  -2.620  -9.684  11.931
  602    H    LYS 693           HN       LYS 693   2.531  -9.022   7.910
  603    HA   LYS 693           HA       LYS 693   1.211  -6.855   9.177
  604   1HB   LYS 693           HB2      LYS 693   3.844  -7.061   7.736
  605   2HB   LYS 693           HB1      LYS 693   3.278  -5.568   8.473
  606   1HG   LYS 693           HG2      LYS 693   3.709  -8.168   9.931
  607   2HG   LYS 693           HG1      LYS 693   4.828  -6.804   9.919
  608   1HD   LYS 693           HD2      LYS 693   3.029  -5.395  10.902
  609   2HD   LYS 693           HD1      LYS 693   2.017  -6.836  11.018
  610   1HE   LYS 693           HE2      LYS 693   4.714  -6.515  12.333
  611   2HE   LYS 693           HE1      LYS 693   3.169  -6.252  13.140
  612   1HZ   LYS 693           HZ3      LYS 693   3.939  -8.821  11.867
  613   2HZ   LYS 693           HZ2      LYS 693   4.166  -8.484  13.512
  614   3HZ   LYS 693           HZ1      LYS 693   2.604  -8.531  12.864
  615    H    VAL 694           HN       VAL 694   2.042  -7.509   5.770
  616    HA   VAL 694           HA       VAL 694   1.015  -4.999   4.873
  617    HB   VAL 694           HB       VAL 694   1.143  -5.861   2.608
  618   1HG1  VAL 694          1HG1      VAL 694   3.528  -6.605   4.285
  619   2HG1  VAL 694          3HG1      VAL 694   3.541  -6.360   2.539
  620   3HG1  VAL 694          2HG1      VAL 694   3.161  -5.016   3.614
  621   1HG2  VAL 694          3HG2      VAL 694   0.355  -8.142   2.984
  622   2HG2  VAL 694          2HG2      VAL 694   1.903  -8.144   2.139
  623   3HG2  VAL 694          1HG2      VAL 694   1.838  -8.521   3.860
  624    H    LYS 695           HN       LYS 695  -0.351  -8.236   5.254
  625    HA   LYS 695           HA       LYS 695  -2.832  -7.655   3.983
  626   1HB   LYS 695           HB2      LYS 695  -2.016  -9.972   4.413
  627   2HB   LYS 695           HB1      LYS 695  -2.298  -9.726   6.134
  628   1HG   LYS 695           HG2      LYS 695  -4.700  -9.219   5.538
  629   2HG   LYS 695           HG1      LYS 695  -4.327  -9.802   3.919
  630   1HD   LYS 695           HD2      LYS 695  -3.704 -11.980   4.842
  631   2HD   LYS 695           HD1      LYS 695  -4.063 -11.393   6.472
  632   1HE   LYS 695           HE2      LYS 695  -6.394 -10.904   5.671
  633   2HE   LYS 695           HE1      LYS 695  -5.988 -11.742   4.179
  634   1HZ   LYS 695           HZ2      LYS 695  -5.888 -12.962   6.883
  635   2HZ   LYS 695           HZ1      LYS 695  -7.157 -13.151   5.776
  636   3HZ   LYS 695           HZ3      LYS 695  -5.616 -13.759   5.412
  637    H    GLU 696           HN       GLU 696  -1.712  -7.557   7.352
  638    HA   GLU 696           HA       GLU 696  -4.142  -6.876   8.582
  639   1HB   GLU 696           HB2      GLU 696  -1.931  -7.582   9.663
  640   2HB   GLU 696           HB1      GLU 696  -1.420  -5.913   9.467
  641   1HG   GLU 696           HG2      GLU 696  -2.195  -6.164  11.686
  642   2HG   GLU 696           HG1      GLU 696  -3.411  -5.233  10.810
  643    H    PHE 697           HN       PHE 697  -1.524  -4.874   7.303
  644    HA   PHE 697           HA       PHE 697  -2.642  -2.364   7.860
  645   1HB   PHE 697           HB2      PHE 697  -0.354  -2.376   7.298
  646   2HB   PHE 697           HB1      PHE 697  -0.620  -3.340   5.850
  647    HD1  PHE 697           HD1      PHE 697  -1.304   0.016   7.309
  648    HD2  PHE 697           HD2      PHE 697  -0.805  -2.317   3.784
  649    HE1  PHE 697           HE1      PHE 697  -1.363   2.064   5.944
  650    HE2  PHE 697           HE2      PHE 697  -0.863  -0.275   2.417
  651    HZ   PHE 697           HZ       PHE 697  -1.144   1.915   3.494
  652    H    ILE 698           HN       ILE 698  -2.781  -4.369   4.917
  653    HA   ILE 698           HA       ILE 698  -4.275  -2.422   3.497
  654    HB   ILE 698           HB       ILE 698  -2.807  -4.208   2.448
  655   1HG1  ILE 698          2HG1      ILE 698  -4.059  -4.192   0.418
  656   2HG1  ILE 698          1HG1      ILE 698  -5.588  -4.016   1.276
  657   1HG2  ILE 698          1HG2      ILE 698  -3.753  -6.144   3.620
  658   2HG2  ILE 698          3HG2      ILE 698  -5.283  -5.893   2.778
  659   3HG2  ILE 698          2HG2      ILE 698  -3.835  -6.326   1.868
  660   1HD1  ILE 698          1HD1      ILE 698  -3.398  -1.952   1.213
  661   2HD1  ILE 698          3HD1      ILE 698  -4.839  -1.942   0.198
  662   3HD1  ILE 698          2HD1      ILE 698  -4.992  -1.780   1.947
  663    H    ASN 699           HN       ASN 699  -5.199  -5.290   5.345
  664    HA   ASN 699           HA       ASN 699  -7.896  -5.421   4.692
  665   1HB   ASN 699           HB2      ASN 699  -7.085  -7.144   6.071
  666   2HB   ASN 699           HB1      ASN 699  -6.372  -6.016   7.216
  667   1HD2  ASN 699          1HD2      ASN 699  -7.623  -5.117   8.802
  668   2HD2  ASN 699          2HD2      ASN 699  -9.214  -5.684   9.175
  669    H    SER 700           HN       SER 700  -6.346  -3.519   7.244
  670    HA   SER 700           HA       SER 700  -8.708  -2.216   8.093
  671   1HB   SER 700           HB2      SER 700  -5.911  -1.154   8.420
  672   2HB   SER 700           HB1      SER 700  -7.282  -0.970   9.515
  673    HG   SER 700           HG       SER 700  -5.577  -3.157   9.118
  674    H    TYR 701           HN       TYR 701  -6.187  -1.396   5.766
  675    HA   TYR 701           HA       TYR 701  -6.975   1.288   5.334
  676   1HB   TYR 701           HB2      TYR 701  -4.745   0.468   4.765
  677   2HB   TYR 701           HB1      TYR 701  -5.426  -0.624   3.567
  678    HD1  TYR 701           HD1      TYR 701  -6.536   2.853   4.065
  679    HD2  TYR 701           HD2      TYR 701  -4.212   0.209   1.678
  680    HE1  TYR 701           HE1      TYR 701  -6.274   4.623   2.382
  681    HE2  TYR 701           HE2      TYR 701  -3.944   1.967  -0.018
  682    HH   TYR 701           HH       TYR 701  -5.154   4.048  -0.732
  683    H    MET 702           HN       MET 702  -7.639  -1.688   3.509
  684    HA   MET 702           HA       MET 702  -9.302  -0.639   1.524
  685   1HB   MET 702           HB2      MET 702  -9.335  -3.335   2.896
  686   2HB   MET 702           HB1      MET 702 -10.298  -2.950   1.476
  687   1HG   MET 702           HG2      MET 702  -8.307  -2.577   0.177
  688   2HG   MET 702           HG1      MET 702  -7.298  -2.814   1.601
  689   1HE   MET 702           HE2      MET 702  -6.052  -4.464  -0.275
  690   2HE   MET 702           HE1      MET 702  -6.820  -5.927  -0.893
  691   3HE   MET 702           HE3      MET 702  -7.390  -4.346  -1.421
  692    H    ASP 703           HN       ASP 703 -10.043  -1.919   4.716
  693    HA   ASP 703           HA       ASP 703 -12.806  -1.720   4.749
  694   1HB   ASP 703           HB2      ASP 703 -11.417  -2.821   6.491
  695   2HB   ASP 703           HB1      ASP 703 -10.883  -1.238   7.039
  696    H    LYS 704           HN       LYS 704 -10.357   0.722   5.331
  697    HA   LYS 704           HA       LYS 704 -12.112   2.674   6.428
  698   1HB   LYS 704           HB2      LYS 704  -9.595   2.488   6.751
  699   2HB   LYS 704           HB1      LYS 704  -9.430   3.189   5.148
  700   1HG   LYS 704           HG2      LYS 704  -9.160   4.901   6.805
  701   2HG   LYS 704           HG1      LYS 704 -10.667   5.177   5.930
  702   1HD   LYS 704           HD2      LYS 704 -11.962   4.323   7.741
  703   2HD   LYS 704           HD1      LYS 704 -10.522   3.725   8.565
  704   1HE   LYS 704           HE2      LYS 704 -11.312   5.765   9.613
  705   2HE   LYS 704           HE1      LYS 704  -9.739   6.023   8.861
  706   1HZ   LYS 704           HZ1      LYS 704 -10.998   6.952   6.912
  707   2HZ   LYS 704           HZ3      LYS 704 -12.390   6.925   7.886
  708   3HZ   LYS 704           HZ2      LYS 704 -11.057   7.875   8.328
  709    H    ILE 705           HN       ILE 705 -10.949   1.958   3.177
  710    HA   ILE 705           HA       ILE 705 -11.838   4.424   2.024
  711    HB   ILE 705           HB       ILE 705 -11.383   1.824   0.556
  712   1HG1  ILE 705          2HG1      ILE 705  -9.386   2.359   1.888
  713   2HG1  ILE 705          1HG1      ILE 705  -9.094   2.554   0.161
  714   1HG2  ILE 705          2HG2      ILE 705 -11.274   4.701  -0.330
  715   2HG2  ILE 705          1HG2      ILE 705 -10.871   3.308  -1.334
  716   3HG2  ILE 705          3HG2      ILE 705 -12.518   3.519  -0.739
  717   1HD1  ILE 705          2HD1      ILE 705  -9.349   4.971   0.393
  718   2HD1  ILE 705          1HD1      ILE 705  -9.637   4.772   2.123
  719   3HD1  ILE 705          3HD1      ILE 705  -8.070   4.349   1.435
  720    H    ILE 706           HN       ILE 706 -13.112   1.141   2.213
  721    HA   ILE 706           HA       ILE 706 -15.324   1.678   0.500
  722    HB   ILE 706           HB       ILE 706 -14.126  -0.623   1.679
  723   1HG1  ILE 706          2HG1      ILE 706 -14.541  -0.322  -0.691
  724   2HG1  ILE 706          1HG1      ILE 706 -15.360  -1.773  -0.121
  725   1HG2  ILE 706          2HG2      ILE 706 -17.114  -0.538   2.044
  726   2HG2  ILE 706          1HG2      ILE 706 -16.104  -1.975   2.191
  727   3HG2  ILE 706          3HG2      ILE 706 -15.907  -0.639   3.326
  728   1HD1  ILE 706          3HD1      ILE 706 -16.657   0.899  -0.619
  729   2HD1  ILE 706          2HD1      ILE 706 -16.753  -0.518  -1.665
  730   3HD1  ILE 706          1HD1      ILE 706 -17.474  -0.559  -0.057
  731    H    LEU 707           HN       LEU 707 -14.817   1.721   3.961
  732    HA   LEU 707           HA       LEU 707 -17.429   1.492   4.857
  733   1HB   LEU 707           HB2      LEU 707 -15.444   1.462   6.314
  734   2HB   LEU 707           HB1      LEU 707 -15.241   3.184   6.055
  735    HG   LEU 707           HG       LEU 707 -17.399   3.610   7.159
  736   1HD1  LEU 707          2HD1      LEU 707 -17.407   0.637   7.662
  737   2HD1  LEU 707          1HD1      LEU 707 -18.528   1.803   8.363
  738   3HD1  LEU 707          3HD1      LEU 707 -18.525   1.519   6.622
  739   1HD2  LEU 707          1HD2      LEU 707 -15.339   3.647   8.466
  740   2HD2  LEU 707          3HD2      LEU 707 -16.695   3.057   9.428
  741   3HD2  LEU 707          2HD2      LEU 707 -15.507   1.922   8.787
  742    H    LYS 708           HN       LYS 708 -15.708   4.414   3.791
  743    HA   LYS 708           HA       LYS 708 -17.669   6.243   4.607
  744   1HB   LYS 708           HB2      LYS 708 -16.607   7.869   3.204
  745   2HB   LYS 708           HB1      LYS 708 -15.350   6.865   3.913
  746   1HG   LYS 708           HG2      LYS 708 -14.977   5.729   1.879
  747   2HG   LYS 708           HG1      LYS 708 -16.448   6.384   1.159
  748   1HD   LYS 708           HD2      LYS 708 -15.445   8.652   1.320
  749   2HD   LYS 708           HD1      LYS 708 -13.951   7.907   1.892
  750   1HE   LYS 708           HE2      LYS 708 -15.283   7.374  -0.760
  751   2HE   LYS 708           HE1      LYS 708 -13.872   8.399  -0.507
  752   1HZ   LYS 708           HZ3      LYS 708 -13.981   5.498   0.105
  753   2HZ   LYS 708           HZ2      LYS 708 -13.290   6.172  -1.291
  754   3HZ   LYS 708           HZ1      LYS 708 -12.623   6.505   0.231
  755    H    LYS 709           HN       LYS 709 -17.318   4.432   1.577
  756    HA   LYS 709           HA       LYS 709 -19.468   5.834   0.294
  757   1HB   LYS 709           HB2      LYS 709 -18.059   3.273  -0.478
  758   2HB   LYS 709           HB1      LYS 709 -19.231   4.116  -1.483
  759   1HG   LYS 709           HG2      LYS 709 -17.684   6.117  -1.370
  760   2HG   LYS 709           HG1      LYS 709 -16.489   5.031  -0.662
  761   1HD   LYS 709           HD2      LYS 709 -16.077   5.173  -3.021
  762   2HD   LYS 709           HD1      LYS 709 -16.725   3.569  -2.670
  763   1HE   LYS 709           HE2      LYS 709 -18.948   4.322  -3.379
  764   2HE   LYS 709           HE1      LYS 709 -18.290   5.917  -3.738
  765   1HZ   LYS 709           HZ1      LYS 709 -17.483   3.380  -5.061
  766   2HZ   LYS 709           HZ3      LYS 709 -18.509   4.558  -5.725
  767   3HZ   LYS 709           HZ2      LYS 709 -16.880   4.931  -5.427
  768    H    LYS 710           HN       LYS 710 -19.091   2.853   2.094
  769    HA   LYS 710           HA       LYS 710 -21.602   1.708   1.602
  770   1HB   LYS 710           HB2      LYS 710 -19.884   1.619   4.089
  771   2HB   LYS 710           HB1      LYS 710 -21.302   0.614   3.833
  772   1HG   LYS 710           HG2      LYS 710 -18.886   0.618   2.048
  773   2HG   LYS 710           HG1      LYS 710 -19.153  -0.525   3.365
  774   1HD   LYS 710           HD2      LYS 710 -21.184  -1.321   2.279
  775   2HD   LYS 710           HD1      LYS 710 -20.971  -0.143   0.982
  776   1HE   LYS 710           HE2      LYS 710 -18.907  -1.209   0.312
  777   2HE   LYS 710           HE1      LYS 710 -19.014  -2.333   1.664
  778   1HZ   LYS 710           HZ3      LYS 710 -21.055  -2.152  -0.481
  779   2HZ   LYS 710           HZ2      LYS 710 -19.754  -3.241  -0.515
  780   3HZ   LYS 710           HZ1      LYS 710 -20.917  -3.346   0.716
  781    H    GLN 711           HN       GLN 711 -20.559   4.180   3.880
  782    HA   GLN 711           HA       GLN 711 -23.092   4.328   5.213
  783   1HB   GLN 711           HB2      GLN 711 -20.720   6.198   5.267
  784   2HB   GLN 711           HB1      GLN 711 -22.108   6.291   6.346
  785   1HG   GLN 711           HG2      GLN 711 -21.584   4.111   7.255
  786   2HG   GLN 711           HG1      GLN 711 -20.239   3.943   6.129
  787   1HE2  GLN 711          1HE2      GLN 711 -21.387   5.478   9.017
  788   2HE2  GLN 711          2HE2      GLN 711 -19.858   6.091   9.541
  789    H    LYS 712           HN       LYS 712 -21.860   5.628   2.306
  790    HA   LYS 712           HA       LYS 712 -23.540   7.979   2.271
  791   1HB   LYS 712           HB2      LYS 712 -22.092   6.633  -0.027
  792   2HB   LYS 712           HB1      LYS 712 -22.814   8.233  -0.057
  793   1HG   LYS 712           HG2      LYS 712 -20.483   7.395   1.651
  794   2HG   LYS 712           HG1      LYS 712 -20.385   8.320   0.153
  795   1HD   LYS 712           HD2      LYS 712 -21.667  10.127   1.168
  796   2HD   LYS 712           HD1      LYS 712 -21.825   9.192   2.658
  797   1HE   LYS 712           HE2      LYS 712 -19.386   9.214   2.923
  798   2HE   LYS 712           HE1      LYS 712 -19.237  10.162   1.444
  799   1HZ   LYS 712           HZ1      LYS 712 -20.719  11.040   3.862
  800   2HZ   LYS 712           HZ3      LYS 712 -19.136  11.510   3.486
  801   3HZ   LYS 712           HZ2      LYS 712 -20.408  11.962   2.470
  802    H    LYS 713           HN       LYS 713 -23.725   4.662   1.426
  803    HA   LYS 713           HA       LYS 713 -26.426   5.046   0.328
  804   1HB   LYS 713           HB2      LYS 713 -24.246   3.324  -0.874
  805   2HB   LYS 713           HB1      LYS 713 -25.929   3.299  -1.380
  806   1HG   LYS 713           HG2      LYS 713 -25.800   5.528  -2.201
  807   2HG   LYS 713           HG1      LYS 713 -24.212   5.766  -1.476
  808   1HD   LYS 713           HD2      LYS 713 -23.890   5.418  -3.815
  809   2HD   LYS 713           HD1      LYS 713 -23.348   3.960  -2.987
  810   1HE   LYS 713           HE2      LYS 713 -26.124   4.200  -4.104
  811   2HE   LYS 713           HE1      LYS 713 -24.770   3.700  -5.109
  812   1HZ   LYS 713           HZ1      LYS 713 -25.648   2.334  -2.622
  813   2HZ   LYS 713           HZ3      LYS 713 -25.992   1.815  -4.196
  814   3HZ   LYS 713           HZ2      LYS 713 -24.390   1.835  -3.639
  815    H    ALA 714           HN       ALA 714 -25.781   4.277   2.959
  816    HA   ALA 714           HA       ALA 714 -25.825   1.429   3.214
  817   1HB   ALA 714           HB3      ALA 714 -26.446   3.553   5.263
  818   2HB   ALA 714           HB1      ALA 714 -24.861   2.846   4.950
  819   3HB   ALA 714           HB2      ALA 714 -26.161   1.845   5.596

  No H/Q in entry =         819