*HEADER    TRANSCRIPTION                           22-MAR-04   1SRK              
*TITLE     SOLUTION STRUCTURE OF THE THIRD ZINC FINGER DOMAIN OF FOG-1           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN ZFPM1;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 328-360;                                          
*COMPND   5 SYNONYM: ZINC FINGER PROTEIN MULTITYPE 1, FRIEND OF GATA             
*COMPND   6 PROTEIN 1, FRIEND OF GATA-1, FOG-1;                                  
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: ZFPM1, FOG1, FOG;                                              
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3;                                  
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    CLASSICAL ZINC FINGER                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.J.Y.SIMPSON, S.H.Y.LEE, N.BARTLE, J.M.MATTHEWS,                     
*AUTHOR   2 J.P.MACKAY, M.CROSSLEY                                               
*REVDAT   1   21-SEP-04 1SRK    0                                                

 ASSI {    2}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.27896E-02 ppm1      4.521 ppm2      9.431 CV     1
 ASSI {    3}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.900     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.27399E-02 ppm1      4.520 ppm2      1.436 CV     1
 ASSI {    4}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.23004E-02 ppm1      4.361 ppm2      9.402 CV     1
 ASSI {    5}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.35231E-02 ppm1      3.425 ppm2      9.404 CV     1
 ASSI {    6}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.39780E-02 ppm1      3.041 ppm2      9.405 CV     1
 ASSI {    7}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.23104E-02 ppm1      4.352 ppm2      3.424 CV     1
 ASSI {    8}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.49117E-02 ppm1      4.352 ppm2      3.042 CV     1
 ASSI {    9}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
      1.700     0.400     0.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.10159E-01 ppm1      3.423 ppm2      3.043 CV     1
 ASSI {   10}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.44177E-02 ppm1      4.209 ppm2      9.068 CV     1
 ASSI {   11}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.13014E-02 ppm1      4.778 ppm2      9.063 CV     1
 ASSI {   12}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.13358E-02 ppm1      3.383 ppm2      9.060 CV     1
 ASSI {   13}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     1.400     1.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.28386E-02 ppm1      2.852 ppm2      9.061 CV     1
 ASSI {   14}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak    14 spectrum    1 weight  0.10000E+01 volume  0.31959E-02 ppm1      4.771 ppm2      3.372 CV     1
 ASSI {   15}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.500     0.800     0.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.31056E-02 ppm1      4.770 ppm2      2.842 CV     1
 ASSI {   17}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      8.851 CV     1
 ASSI {   18}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.23475E-02 ppm1      3.869 ppm2      8.834 CV     1
 ASSI {   19}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      2.100     0.600     0.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.95995E-02 ppm1      1.158 ppm2      8.833 CV     1
 ASSI {   20}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.40476E-02 ppm1      0.285 ppm2      8.834 CV     1
 ASSI {   21}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      4.300     2.300     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.22224E-03 ppm1      4.499 ppm2      8.717 CV     1
 ASSI {   22}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      3.900     1.900     1.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.85579E-03 ppm1      3.908 ppm2      8.716 CV     1
 ASSI {   23}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.300     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.13111E-02 ppm1      4.497 ppm2      3.914 CV     1
 ASSI {   24}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.18667E-02 ppm1      4.617 ppm2      8.645 CV     1
 ASSI {   25}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.11070E-01 ppm1      1.856 ppm2      8.645 CV     1
 ASSI {   26}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.69488E-02 ppm1      0.816 ppm2      8.643 CV     1
 ASSI {   27}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.200     2.200     1.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.13423E-02 ppm1      0.757 ppm2      8.645 CV     1
 ASSI {   28}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.800     0.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.56602E-02 ppm1      4.676 ppm2      8.587 CV     1
 ASSI {   29}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.10371E-01 ppm1      2.716 ppm2      8.587 CV     1
 OR {   29}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {   30}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.42094E-02 ppm1      4.676 ppm2      2.716 CV     1
 OR {   30}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI {   31}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.800     0.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.33305E-02 ppm1      3.932 ppm2      8.573 CV     1
 OR {   31}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {   34}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.62351E-02 ppm1      4.058 ppm2      8.558 CV     1
 ASSI {   37}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.77012E-02 ppm1      4.054 ppm2      8.447 CV     1
 ASSI {   38}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.71458E-02 ppm1      1.392 ppm2      8.449 CV     1
 ASSI {   39}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      2.000     0.500     0.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.19932E-01 ppm1      4.055 ppm2      1.394 CV     1
 ASSI {   40}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.31924E-02 ppm1      4.532 ppm2      8.438 CV     1
 ASSI {   42}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.400     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.98735E-03 ppm1      1.468 ppm2      8.438 CV     1
 ASSI {   43}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.92138E-03 ppm1      1.333 ppm2      8.439 CV     1
 ASSI {   44}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HE  ))
      2.600     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.42868E-02 ppm1      2.984 ppm2      7.092 CV     1
 OR {   44}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HE  ))
 ASSI {   47}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.29061E-02 ppm1      4.438 ppm2      8.414 CV     1
 ASSI {   48}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.35135E-02 ppm1      1.715 ppm2      8.414 CV     1
 ASSI {   49}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.21950E-02 ppm1      1.656 ppm2      8.415 CV     1
 OR {   49}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {   50}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      5.500     3.800     0.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.93373E-04 ppm1      0.930 ppm2      8.414 CV     1
 ASSI {   51}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      5.100     3.200     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.29131E-03 ppm1      0.870 ppm2      8.414 CV     1
 ASSI {   52}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.28001E-02 ppm1      5.131 ppm2      8.395 CV     1
 ASSI {   53}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.600     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.17726E-02 ppm1      3.517 ppm2      8.393 CV     1
 ASSI {   54}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.18019E-02 ppm1      2.836 ppm2      8.395 CV     1
 ASSI {   55}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.600     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.38391E-02 ppm1      5.131 ppm2      3.519 CV     1
 ASSI {   56}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.200     0.600     0.600 peak    56 spectrum    1 weight  0.10000E+01 volume  0.95108E-02 ppm1      5.131 ppm2      2.839 CV     1
 ASSI {   57}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.600     0.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.34776E-02 ppm1      3.505 ppm2      8.317 CV     1
 ASSI {   58}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.26368E-02 ppm1      3.407 ppm2      8.317 CV     1
 ASSI {   59}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.29659E-02 ppm1      4.206 ppm2      8.315 CV     1
 ASSI {   60}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.400     2.400     3.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.88319E-02 ppm1      1.737 ppm2      8.314 CV     1
 ASSI {   61}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.24578E-03 ppm1      1.665 ppm2      8.314 CV     1
 ASSI {   62}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.400     1.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.26391E-02 ppm1      1.446 ppm2      8.314 CV     1
 OR {   62}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   63}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.18324E-02 ppm1      1.360 ppm2      8.314 CV     1
 OR {   63}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   64}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.000     2.000     4.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13300E-01 ppm1      4.230 ppm2      8.267 CV     1
 ASSI {   65}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      2.225 ppm2      8.267 CV     1
 ASSI {   66}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak    66 spectrum    1 weight  0.10000E+01 volume  0.17860E-02 ppm1      1.621 ppm2      8.267 CV     1
 ASSI {   67}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak    67 spectrum    1 weight  0.10000E+01 volume  0.15214E-02 ppm1      5.116 ppm2      8.236 CV     1
 ASSI {   68}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.74120E-02 ppm1      1.271 ppm2      8.236 CV     1
 ASSI {   69}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HB% )
      2.100     0.500     0.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.11382E-01 ppm1      5.112 ppm2      1.269 CV     1
 ASSI {   70}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.39702E-02 ppm1      4.344 ppm2      8.098 CV     1
 ASSI {   71}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.26581E-02 ppm1      4.260 ppm2      8.097 CV     1
 ASSI {   72}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.31975E-02 ppm1      1.225 ppm2      8.097 CV     1
 ASSI {   73}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak    73 spectrum    1 weight  0.10000E+01 volume  0.47456E-02 ppm1      4.418 ppm2      8.062 CV     1
 ASSI {   74}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.300     1.400     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.20882E-02 ppm1      2.884 ppm2      8.061 CV     1
 ASSI {   75}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.600     0.800     0.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.23903E-02 ppm1      4.415 ppm2      2.885 CV     1
 ASSI {   76}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak    76 spectrum    1 weight  0.10000E+01 volume  0.16390E-02 ppm1      4.264 ppm2      8.023 CV     1
 ASSI {   77}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.72693E-03 ppm1      3.843 ppm2      8.024 CV     1
 OR {   77}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {   78}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.300     1.400     1.400 peak    78 spectrum    1 weight  0.10000E+01 volume  0.14307E-02 ppm1      4.256 ppm2      3.836 CV     1
 OR {   78}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {   79}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.800     1.800     1.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.52823E-03 ppm1      4.319 ppm2      7.979 CV     1
 ASSI {   80}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      2.900     1.100     1.100 peak    80 spectrum    1 weight  0.10000E+01 volume  0.27410E-02 ppm1      1.227 ppm2      7.980 CV     1
 ASSI {   81}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
      2.900     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.38268E-02 ppm1      4.302 ppm2      1.224 CV     1
 ASSI {   82}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.33375E-02 ppm1      4.662 ppm2      7.900 CV     1
 ASSI {   83}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.32117E-02 ppm1      3.021 ppm2      7.899 CV     1
 ASSI {   84}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.38699E-02 ppm1      2.743 ppm2      7.899 CV     1
 ASSI {   85}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.900     1.000     1.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.42020E-02 ppm1      4.663 ppm2      3.020 CV     1
 ASSI {   86}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.800     1.000     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.17305E-02 ppm1      4.661 ppm2      2.727 CV     1
 ASSI {   87}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.48848E-02 ppm1      3.970 ppm2      7.840 CV     1
 ASSI {   89}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.42981E-02 ppm1      1.770 ppm2      7.840 CV     1
 ASSI {   90}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.18729E-02 ppm1      1.688 ppm2      7.840 CV     1
 ASSI {   91}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.11135E-02 ppm1      1.563 ppm2      7.842 CV     1
 ASSI {   94}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HE  ))
      5.500     3.800     0.500 peak    94 spectrum    1 weight  0.10000E+01 volume  0.24925E-03 ppm1      1.836 ppm2      7.289 CV     1
 ASSI {   95}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HE  ))
      5.000     3.100     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.49504E-03 ppm1      1.767 ppm2      7.289 CV     1
 ASSI {   96}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HE  ))
      3.900     1.900     1.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.27202E-03 ppm1      1.683 ppm2      7.290 CV     1
 ASSI {   97}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HE  ))
      3.900     1.900     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.29285E-03 ppm1      1.561 ppm2      7.289 CV     1
 ASSI {   99}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.400     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.10271E-02 ppm1      4.155 ppm2      7.275 CV     1
 ASSI {  109}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   109 spectrum    1 weight  0.10000E+01 volume  0.27453E-02 ppm1      1.477 ppm2      7.036 CV     1
 ASSI {  111}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.300     0.700     0.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.38738E-02 ppm1      1.578 ppm2      7.036 CV     1
 ASSI {  112}
   (( segid "    " and resid 28   and name HE2 ))
   (  segid "    " and resid 28   and name HZ% )
      4.500     4.500     1.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.16051E-03 ppm1      2.986 ppm2      7.666 CV     1
 OR {  112}
   (( segid "    " and resid 28   and name HE3 ))
   (  segid "    " and resid 28   and name HZ% )
 ASSI {  113}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.61425E-02 ppm1      4.090 ppm2      7.036 CV     1
 ASSI {  114}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 28   and name HZ% )
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.770 ppm2      7.664 CV     1
 ASSI {  116}
   (( segid "    " and resid 28   and name HG3 ))
   (  segid "    " and resid 28   and name HZ% )
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.470 ppm2      7.664 CV     1
 ASSI {  117}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.36438E-02 ppm1      3.124 ppm2      7.586 CV     1
 ASSI {  118}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.37268E-02 ppm1      3.021 ppm2      7.586 CV     1
 ASSI {  120}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HE  ))
      3.700     1.700     1.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.78786E-03 ppm1      1.945 ppm2      7.391 CV     1
 OR {  120}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  123}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE  ))
      2.300     0.700     0.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.79869E-02 ppm1      3.232 ppm2      7.389 CV     1
 OR {  123}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  124}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.210 ppm2      7.386 CV     1
 ASSI {  126}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.28946E-02 ppm1      4.788 ppm2      7.370 CV     1
 ASSI {  127}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.20666E-02 ppm1      3.333 ppm2      7.370 CV     1
 ASSI {  128}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.000     1.100     1.100 peak   128 spectrum    1 weight  0.10000E+01 volume  0.36705E-02 ppm1      4.788 ppm2      3.333 CV     1
 ASSI {  129}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.600     0.800     0.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.35601E-02 ppm1      4.788 ppm2      3.244 CV     1
 ASSI {  130}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HE  ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.44873E-02 ppm1      3.206 ppm2      7.291 CV     1
 OR {  130}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HE  ))
 ASSI {  136}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.24543E-02 ppm1      4.713 ppm2      7.221 CV     1
 ASSI {  137}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.57259E-03 ppm1      4.417 ppm2      7.224 CV     1
 ASSI {  145}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      4.300     2.300     1.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.19871E-03 ppm1      3.904 ppm2      8.851 CV     1
 ASSI {  146}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
      4.600     2.600     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.42094E-03 ppm1      3.853 ppm2      8.851 CV     1
 ASSI {  147}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
      6.000     4.700     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.44756E-04 ppm1      4.555 ppm2      3.908 CV     1
 ASSI {  149}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      2.600     0.900     0.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.40050E-02 ppm1      3.863 ppm2      1.156 CV     1
 ASSI {  150}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      2.300     0.600     0.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10005E-01 ppm1      3.863 ppm2      0.277 CV     1
 ASSI {  157}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HG2%)
      2.000     0.500     0.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.11918E-01 ppm1      1.157 ppm2      0.277 CV     1
 ASSI {  158}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
      3.400     1.400     1.400 peak   158 spectrum    1 weight  0.10000E+01 volume  0.85501E-03 ppm1      4.499 ppm2      3.881 CV     1
 ASSI {  159}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      3.700     1.700     1.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.78286E-03 ppm1      3.879 ppm2      8.716 CV     1
 ASSI {  160}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG1%)
      2.000     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.17008E-01 ppm1      1.852 ppm2      0.819 CV     1
 ASSI {  161}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG2%)
      2.100     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.10873E-01 ppm1      1.852 ppm2      0.757 CV     1
 ASSI {  162}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG1%)
      2.700     0.900     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.76703E-02 ppm1      4.619 ppm2      0.822 CV     1
 ASSI {  163}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.47921E-02 ppm1      4.617 ppm2      0.761 CV     1
 ASSI {  164}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB  ))
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.35902E-02 ppm1      4.619 ppm2      1.856 CV     1
 ASSI {  165}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      2.100     0.600     0.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.15179E-01 ppm1      4.053 ppm2      1.304 CV     1
 ASSI {  166}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      2.000     0.500     0.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.14704E-01 ppm1      1.301 ppm2      8.558 CV     1
 ASSI {  169}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
      3.500     1.500     1.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      4.532 ppm2      2.998 CV     1
 OR {  169}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
 ASSI {  170}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.37318E-02 ppm1      1.518 ppm2      8.438 CV     1
 ASSI {  171}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HE  ))
      3.800     1.800     1.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.71958E-03 ppm1      1.520 ppm2      7.089 CV     1
 ASSI {  172}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.35729E-03 ppm1      4.530 ppm2      1.522 CV     1
 ASSI {  173}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.100     1.200     1.200 peak   173 spectrum    1 weight  0.10000E+01 volume  0.17887E-02 ppm1      4.529 ppm2      1.458 CV     1
 ASSI {  174}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.200     2.300     1.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.35111E-03 ppm1      4.527 ppm2      1.334 CV     1
 ASSI {  175}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HN  ))
      5.200     3.300     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.30404E-03 ppm1      2.987 ppm2      8.433 CV     1
 OR {  175}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  176}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG  ))
      3.500     1.500     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.88589E-03 ppm1      4.434 ppm2      1.719 CV     1
 ASSI {  177}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.200     1.300     1.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.12849E-02 ppm1      4.434 ppm2      1.653 CV     1
 OR {  177}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {  178}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      5.600     4.000     0.400 peak   178 spectrum    1 weight  0.10000E+01 volume  0.17015E-03 ppm1      4.434 ppm2      0.935 CV     1
 ASSI {  179}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD2%)
      3.600     1.600     1.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.10649E-02 ppm1      4.434 ppm2      0.878 CV     1
 ASSI {  180}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
      3.100     1.200     1.200 peak   180 spectrum    1 weight  0.10000E+01 volume  0.18023E-02 ppm1      1.649 ppm2      0.936 CV     1
 OR {  180}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI {  181}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 34   and name HD2%)
      2.900     1.100     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.27530E-02 ppm1      1.649 ppm2      0.873 CV     1
 OR {  181}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  182}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD1%)
      3.400     1.500     1.500 peak   182 spectrum    1 weight  0.10000E+01 volume  0.73002E-03 ppm1      1.710 ppm2      0.936 CV     1
 ASSI {  183}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD2%)
      4.300     2.300     1.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.19523E-03 ppm1      1.710 ppm2      0.873 CV     1
 ASSI {  184}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
      1.600     0.300     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.14538E-01 ppm1      3.516 ppm2      2.830 CV     1
 ASSI {  185}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.35246E-02 ppm1      4.232 ppm2      2.216 CV     1
 ASSI {  186}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.500     0.800     0.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.32851E-02 ppm1      4.232 ppm2      1.611 CV     1
 ASSI {  187}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.39432E-02 ppm1      4.231 ppm2      3.507 CV     1
 ASSI {  188}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.100     0.600     0.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.84806E-02 ppm1      4.232 ppm2      3.410 CV     1
 ASSI {  189}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.400     1.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16193E-02 ppm1      4.232 ppm2      0.877 CV     1
 ASSI {  190}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      2.200     0.600     0.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.58107E-02 ppm1      4.223 ppm2      0.821 CV     1
 ASSI {  191}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.48691E-02 ppm1      4.234 ppm2      8.315 CV     1
 ASSI {  192}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      2.400     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.82492E-02 ppm1      2.214 ppm2      0.873 CV     1
 ASSI {  193}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      3.900     1.900     1.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.18644E-02 ppm1      2.216 ppm2      0.816 CV     1
 ASSI {  194}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 14   and name HD1%)
      2.800     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.31785E-02 ppm1      1.609 ppm2      0.872 CV     1
 ASSI {  195}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 14   and name HD2%)
      2.700     0.900     0.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.32106E-02 ppm1      1.610 ppm2      0.815 CV     1
 ASSI {  198}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
      4.000     2.000     2.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.14658E-02 ppm1      4.207 ppm2      3.230 CV     1
 OR {  198}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD3 ))
 ASSI {  199}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.200     0.600     0.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.12594E-01 ppm1      4.206 ppm2      1.942 CV     1
 OR {  199}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  200}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.000     1.100     1.100 peak   200 spectrum    1 weight  0.10000E+01 volume  0.27614E-02 ppm1      4.205 ppm2      1.760 CV     1
 ASSI {  201}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      3.300     1.400     1.400 peak   201 spectrum    1 weight  0.10000E+01 volume  0.26897E-02 ppm1      4.214 ppm2      1.651 CV     1
 ASSI {  202}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HD2 ))
      3.900     1.900     1.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.55946E-03 ppm1      4.207 ppm2      1.445 CV     1
 OR {  202}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HD3 ))
 ASSI {  203}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
      3.800     1.800     1.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.80061E-03 ppm1      4.209 ppm2      1.360 CV     1
 OR {  203}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  204}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.400     0.700     0.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.91172E-02 ppm1      3.232 ppm2      1.944 CV     1
 OR {  204}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  204}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB3 ))
 OR {  204}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  205}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.344 ppm2      4.259 CV     1
 ASSI {  206}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.700     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.64126E-02 ppm1      4.341 ppm2      1.223 CV     1
 ASSI {  207}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      2.800     1.000     1.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.33668E-02 ppm1      4.261 ppm2      1.223 CV     1
 ASSI {  208}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.53206E-02 ppm1      1.251 ppm2      7.221 CV     1
 ASSI {  209}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      2.300     0.600     0.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.59690E-02 ppm1      4.715 ppm2      1.251 CV     1
 ASSI {  210}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG2%)
      2.100     0.600     0.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.96034E-02 ppm1      4.420 ppm2      1.252 CV     1
 ASSI {  211}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      4.600     2.700     1.400 peak   211 spectrum    1 weight  0.10000E+01 volume  0.30520E-03 ppm1      4.264 ppm2      3.618 CV     1
 ASSI {  212}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      4.600     2.700     1.400 peak   212 spectrum    1 weight  0.10000E+01 volume  0.25195E-03 ppm1      4.269 ppm2      3.560 CV     1
 ASSI {  213}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.600     0.900     0.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.62234E-02 ppm1      4.271 ppm2      1.972 CV     1
 ASSI {  214}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.100     2.100     1.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.11019E-02 ppm1      4.269 ppm2      1.712 CV     1
 ASSI {  215}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      5.000     3.200     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.41516E-03 ppm1      4.269 ppm2      1.535 CV     1
 ASSI {  216}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.600     0.800     0.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.37365E-02 ppm1      4.269 ppm2      1.121 CV     1
 ASSI {  217}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB2 ))
      4.300     2.300     1.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.81413E-03 ppm1      3.614 ppm2      1.974 CV     1
 ASSI {  218}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB2 ))
      4.500     2.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.74659E-03 ppm1      3.571 ppm2      1.974 CV     1
 ASSI {  219}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.22583E-02 ppm1      3.616 ppm2      1.715 CV     1
 ASSI {  220}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG3 ))
      3.000     1.100     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.28668E-02 ppm1      3.616 ppm2      1.535 CV     1
 ASSI {  221}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB3 ))
      4.500     2.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.59920E-03 ppm1      3.611 ppm2      1.120 CV     1
 ASSI {  222}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG2 ))
      3.100     1.200     1.200 peak   222 spectrum    1 weight  0.10000E+01 volume  0.24748E-02 ppm1      3.568 ppm2      1.715 CV     1
 ASSI {  223}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.300     0.700     0.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.35030E-02 ppm1      3.558 ppm2      1.533 CV     1
 ASSI {  224}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.700     1.700     1.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.79678E-03 ppm1      3.573 ppm2      1.121 CV     1
 ASSI {  225}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
      4.400     2.400     1.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.14237E-02 ppm1      3.961 ppm2      3.206 CV     1
 OR {  225}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI {  226}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.400     0.700     0.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.63086E-02 ppm1      3.964 ppm2      1.841 CV     1
 ASSI {  227}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.500     0.800     0.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.50392E-02 ppm1      3.964 ppm2      1.782 CV     1
 ASSI {  228}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.200     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.46495E-02 ppm1      3.964 ppm2      1.688 CV     1
 ASSI {  229}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.100     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.38893E-02 ppm1      3.965 ppm2      1.566 CV     1
 ASSI {  230}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.35837E-02 ppm1      3.202 ppm2      1.841 CV     1
 OR {  230}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  231}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.900     1.100     1.100 peak   231 spectrum    1 weight  0.10000E+01 volume  0.22730E-02 ppm1      3.202 ppm2      1.779 CV     1
 OR {  231}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI {  232}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HG2 ))
      2.500     0.800     0.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.38661E-02 ppm1      3.202 ppm2      1.686 CV     1
 OR {  232}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  233}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HG3 ))
      2.500     0.800     0.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.41672E-02 ppm1      3.199 ppm2      1.566 CV     1
 OR {  233}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI {  235}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.600     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.92486E-03 ppm1      2.925 ppm2      7.276 CV     1
 ASSI {  236}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.19805E-02 ppm1      2.662 ppm2      7.276 CV     1
 ASSI {  237}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.42712E-02 ppm1      4.152 ppm2      2.934 CV     1
 ASSI {  238}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.600     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.79599E-02 ppm1      4.152 ppm2      2.668 CV     1
 ASSI {  240}
   (( segid "    " and resid 28   and name HD2 ))
   (  segid "    " and resid 28   and name HZ% )
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.679 ppm2      7.662 CV     1
 OR {  240}
   (( segid "    " and resid 28   and name HD3 ))
   (  segid "    " and resid 28   and name HZ% )
 ASSI {  243}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HN  ))
      4.500     2.600     1.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.79482E-03 ppm1      1.678 ppm2      7.034 CV     1
 OR {  243}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  244}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 28   and name HZ% )
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.586 ppm2      7.664 CV     1
 ASSI {  245}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 28   and name HZ% )
      6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.898 ppm2      7.665 CV     1
 ASSI {  246}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HE3 ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.087 ppm2      2.976 CV     1
 OR {  246}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HE2 ))
 ASSI {  247}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.600     0.800     0.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.36165E-02 ppm1      4.087 ppm2      1.891 CV     1
 ASSI {  248}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.600     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.34571E-02 ppm1      4.087 ppm2      1.765 CV     1
 ASSI {  249}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      4.600     2.600     1.400 peak   249 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      4.087 ppm2      1.678 CV     1
 OR {  249}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD3 ))
 ASSI {  250}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.500     1.600     1.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.21811E-02 ppm1      4.080 ppm2      1.578 CV     1
 ASSI {  251}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
      3.500     1.500     1.500 peak   251 spectrum    1 weight  0.10000E+01 volume  0.21638E-02 ppm1      4.087 ppm2      1.467 CV     1
 ASSI {  262}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.500     0.800     0.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.42981E-02 ppm1      1.594 ppm2      1.091 CV     1
 OR {  262}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG2 ))
 OR {  262}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG2 ))
 OR {  262}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  263}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HB3 ))
      3.200     1.300     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.13983E-02 ppm1      1.594 ppm2      1.175 CV     1
 OR {  263}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB3 ))
 ASSI {  264}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.300     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.76242E-02 ppm1      1.391 ppm2      1.092 CV     1
 OR {  264}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  265}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD3 ))
      5.300     3.600     0.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.33529E-03 ppm1      3.059 ppm2      1.594 CV     1
 OR {  265}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
 ASSI {  266}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak   266 spectrum    1 weight  0.10000E+01 volume  0.24778E-02 ppm1      3.059 ppm2      1.391 CV     1
 ASSI {  267}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.700     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.22656E-02 ppm1      3.059 ppm2      1.172 CV     1
 ASSI {  268}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      2.500     0.800     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.46765E-02 ppm1      3.059 ppm2      1.091 CV     1
 OR {  268}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  271}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.24223E-02 ppm1      3.124 ppm2      3.023 CV     1
 ASSI {  272}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      1.800     0.400     0.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.10117E-01 ppm1      3.123 ppm2      2.543 CV     1
 ASSI {  273}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.600     0.800     0.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.85462E-02 ppm1      3.024 ppm2      2.544 CV     1
 ASSI {  274}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG  ))
      4.800     2.900     1.200 peak   274 spectrum    1 weight  0.10000E+01 volume  0.11343E-03 ppm1      3.121 ppm2      1.879 CV     1
 ASSI {  275}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG  ))
      4.400     2.400     1.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.27973E-03 ppm1      3.009 ppm2      1.879 CV     1
 ASSI {  276}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG  ))
      4.700     2.700     1.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.17517E-03 ppm1      2.539 ppm2      1.879 CV     1
 ASSI {  277}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.700     1.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.20075E-02 ppm1      3.246 ppm2      7.370 CV     1
 ASSI {  278}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HE  ))
      5.100     3.300     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.23266E-03 ppm1      4.536 ppm2      7.091 CV     1
 ASSI {  279}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
      3.100     1.200     1.200 peak   279 spectrum    1 weight  0.10000E+01 volume  0.79752E-03 ppm1      1.965 ppm2      1.712 CV     1
 ASSI {  280}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG3 ))
      3.200     1.300     1.300 peak   280 spectrum    1 weight  0.10000E+01 volume  0.15947E-02 ppm1      1.965 ppm2      1.529 CV     1
 ASSI {  281}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.500     1.500     1.500 peak   281 spectrum    1 weight  0.10000E+01 volume  0.15569E-02 ppm1      1.709 ppm2      1.121 CV     1
 ASSI {  285}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.56524E-02 ppm1      3.896 ppm2      8.006 CV     1
 ASSI {  286}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.45838E-02 ppm1      1.966 ppm2      8.009 CV     1
 ASSI {  287}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB  ))
      2.300     0.600     0.600 peak   287 spectrum    1 weight  0.10000E+01 volume  0.82300E-02 ppm1      3.900 ppm2      1.964 CV     1
 ASSI {  288}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
      2.300     0.700     0.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.90172E-02 ppm1      3.899 ppm2      0.682 CV     1
 ASSI {  289}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      3.000     1.100     1.100 peak   289 spectrum    1 weight  0.10000E+01 volume  0.57720E-02 ppm1      3.899 ppm2      0.541 CV     1
 ASSI {  290}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG1%)
      2.100     0.500     0.500 peak   290 spectrum    1 weight  0.10000E+01 volume  0.13037E-01 ppm1      1.962 ppm2      0.677 CV     1
 ASSI {  291}
   (( segid "    " and resid 29   and name HB  ))
   (  segid "    " and resid 29   and name HG2%)
      2.200     0.600     0.600 peak   291 spectrum    1 weight  0.10000E+01 volume  0.77399E-02 ppm1      1.962 ppm2      0.535 CV     1
 ASSI {  292}
   (  segid "    " and resid 29   and name HG1%)
   (  segid "    " and resid 29   and name HG2%)
      2.400     0.700     0.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.66248E-02 ppm1      0.677 ppm2      0.537 CV     1
 ASSI {  293}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.500     1.500     1.500 peak   293 spectrum    1 weight  0.10000E+01 volume  0.88859E-03 ppm1      4.232 ppm2      1.392 CV     1
 ASSI {  294}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      2.200     0.600     0.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.83883E-02 ppm1      2.214 ppm2      1.396 CV     1
 ASSI {  295}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.600     0.600 peak   295 spectrum    1 weight  0.10000E+01 volume  0.90363E-02 ppm1      1.388 ppm2      0.872 CV     1
 ASSI {  296}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD2%)
      2.700     0.900     0.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.28541E-02 ppm1      1.388 ppm2      0.815 CV     1
 ASSI {  297}
   (( segid "    " and resid 12   and name HG13))
   (  segid "    " and resid 12   and name HG2%)
      2.500     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.43638E-02 ppm1      1.072 ppm2      0.277 CV     1
 ASSI {  298}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 12   and name HG2%)
      2.400     0.700     0.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.73541E-02 ppm1      0.679 ppm2      0.277 CV     1
 ASSI {  299}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      2.500     0.800     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.39280E-02 ppm1      3.863 ppm2      0.680 CV     1
 ASSI {  300}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG13))
      3.300     1.400     1.400 peak   300 spectrum    1 weight  0.10000E+01 volume  0.39780E-02 ppm1      3.863 ppm2      1.069 CV     1
 ASSI {  301}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG12))
      2.900     1.100     1.100 peak   301 spectrum    1 weight  0.10000E+01 volume  0.32680E-02 ppm1      3.863 ppm2      1.344 CV     1
 ASSI {  304}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 12   and name HD1%)
      2.400     0.700     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.54249E-02 ppm1      1.341 ppm2      0.680 CV     1
 ASSI {  305}
   (( segid "    " and resid 12   and name HG13))
   (  segid "    " and resid 12   and name HD1%)
      2.600     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.33769E-02 ppm1      1.066 ppm2      0.675 CV     1
 ASSI {  307}
   (( segid "    " and resid 27   and name HG  ))
   (  segid "    " and resid 27   and name HD1%)
      2.300     0.700     0.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.73811E-02 ppm1      2.003 ppm2      1.161 CV     1
 OR {  307}
   (( segid "    " and resid 27   and name HG  ))
   (  segid "    " and resid 27   and name HD2%)
 ASSI {  308}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG  ))
      3.500     1.500     1.500 peak   308 spectrum    1 weight  0.10000E+01 volume  0.10379E-02 ppm1      3.868 ppm2      2.001 CV     1
 ASSI {  309}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     1.100     1.100 peak   309 spectrum    1 weight  0.10000E+01 volume  0.12108E-02 ppm1      3.868 ppm2      1.937 CV     1
 ASSI {  310}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.700     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.45799E-02 ppm1      3.868 ppm2      1.757 CV     1
 ASSI {  312}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.500     0.800     0.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.70880E-02 ppm1      4.777 ppm2      7.296 CV     1
 ASSI {  313}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.54519E-02 ppm1      3.384 ppm2      7.296 CV     1
 ASSI {  314}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      2.200     0.600     0.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.56411E-02 ppm1      2.853 ppm2      7.293 CV     1
 ASSI {  315}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      4.400     2.400     1.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.65169E-03 ppm1      2.854 ppm2      6.859 CV     1
 ASSI {  316}
   (( segid "    " and resid 17   and name HZ  ))
   (  segid "    " and resid 17   and name HD% )
      3.200     1.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.25805E-02 ppm1      6.174 ppm2      7.296 CV     1
 ASSI {  317}
   (( segid "    " and resid 17   and name HZ  ))
   (  segid "    " and resid 17   and name HE% )
      2.000     0.500     0.500 peak   317 spectrum    1 weight  0.10000E+01 volume  0.13890E-01 ppm1      6.177 ppm2      6.860 CV     1
 ASSI {  318}
   (  segid "    " and resid 17   and name HE% )
   (  segid "    " and resid 17   and name HD% )
      1.800     0.400     0.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.18381E-01 ppm1      6.863 ppm2      7.296 CV     1
 ASSI {  320}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      2.000     0.500     0.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.12906E-01 ppm1      4.671 ppm2      7.146 CV     1
 ASSI {  322}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      2.300     0.600     0.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.10298E-01 ppm1      2.729 ppm2      7.146 CV     1
 ASSI {  323}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HE% )
      4.100     2.100     1.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.11263E-02 ppm1      2.747 ppm2      7.421 CV     1
 ASSI {  326}
   (  segid "    " and resid 8    and name HD% )
   (  segid "    " and resid 8    and name HE% )
      1.800     0.400     0.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.22193E-01 ppm1      7.142 ppm2      7.418 CV     1
 ASSI {  327}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 8    and name HZ  ))
      3.500     1.500     1.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.24605E-02 ppm1      7.142 ppm2      7.389 CV     1
 ASSI {  329}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HE1 ))
      4.400     2.500     1.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.27240E-03 ppm1      6.986 ppm2      7.995 CV     1
 ASSI {  330}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.000     0.500     0.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.91520E-02 ppm1      5.111 ppm2      9.063 CV     1
 ASSI {  331}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.52975E-02 ppm1      1.270 ppm2      9.059 CV     1
 ASSI {  332}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      5.000     3.200     1.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.32140E-03 ppm1      8.240 ppm2      9.063 CV     1
 ASSI {  333}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.15754E-02 ppm1      3.505 ppm2      8.239 CV     1
 ASSI {  334}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.21746E-02 ppm1      3.407 ppm2      8.239 CV     1
 ASSI {  335}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.200     0.600     0.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.76551E-02 ppm1      4.234 ppm2      8.239 CV     1
 ASSI {  336}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.100     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.96152E-02 ppm1      4.778 ppm2      9.432 CV     1
 ASSI {  337}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak   337 spectrum    1 weight  0.10000E+01 volume  0.30180E-02 ppm1      3.388 ppm2      9.433 CV     1
 ASSI {  338}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.31801E-02 ppm1      2.857 ppm2      9.432 CV     1
 ASSI {  339}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.73580E-02 ppm1      1.443 ppm2      9.432 CV     1
 ASSI {  340}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   340 spectrum    1 weight  0.10000E+01 volume  0.16306E-02 ppm1      4.523 ppm2      7.221 CV     1
 ASSI {  341}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.14102E-02 ppm1      1.437 ppm2      7.222 CV     1
 ASSI {  342}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.12378E-02 ppm1      7.222 ppm2      9.432 CV     1
 ASSI {  343}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
      2.400     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.30852E-02 ppm1      4.716 ppm2      4.419 CV     1
 ASSI {  344}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 12   and name HG2%)
      3.200     1.300     1.300 peak   344 spectrum    1 weight  0.10000E+01 volume  0.49618E-02 ppm1      1.340 ppm2      0.277 CV     1
 ASSI {  345}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HD1%)
      2.900     1.100     1.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.74429E-02 ppm1      1.160 ppm2      0.675 CV     1
 ASSI {  346}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HG13))
      1.900     0.400     0.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.49348E-02 ppm1      1.341 ppm2      1.066 CV     1
 ASSI {  347}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   347 spectrum    1 weight  0.10000E+01 volume  0.26414E-02 ppm1      0.685 ppm2      8.834 CV     1
 ASSI {  348}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.600     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.39354E-02 ppm1      1.068 ppm2      8.834 CV     1
 ASSI {  349}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak   349 spectrum    1 weight  0.10000E+01 volume  0.46069E-02 ppm1      1.340 ppm2      8.834 CV     1
 ASSI {  350}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   350 spectrum    1 weight  0.10000E+01 volume  0.33769E-02 ppm1      0.285 ppm2      8.393 CV     1
 ASSI {  351}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      5.300     3.500     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.76164E-03 ppm1      0.685 ppm2      8.393 CV     1
 ASSI {  352}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 13   and name HN  ))
      5.200     3.400     0.800 peak   352 spectrum    1 weight  0.10000E+01 volume  0.61038E-03 ppm1      1.068 ppm2      8.393 CV     1
 ASSI {  353}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      2.300     0.700     0.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.25959E-02 ppm1      1.158 ppm2      8.393 CV     1
 ASSI {  354}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 13   and name HN  ))
      5.200     3.400     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.40011E-03 ppm1      1.340 ppm2      8.393 CV     1
 ASSI {  355}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.600     1.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.11498E-02 ppm1      3.869 ppm2      8.393 CV     1
 ASSI {  356}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.60616E-02 ppm1      8.395 ppm2      8.836 CV     1
 ASSI {  357}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      4.600     2.600     1.400 peak   357 spectrum    1 weight  0.10000E+01 volume  0.49543E-03 ppm1      2.836 ppm2      8.267 CV     1
 ASSI {  358}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak   358 spectrum    1 weight  0.10000E+01 volume  0.72150E-03 ppm1      3.516 ppm2      8.267 CV     1
 ASSI {  359}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.13404E-02 ppm1      5.131 ppm2      8.267 CV     1
 ASSI {  360}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     2.700     3.300 peak   360 spectrum    1 weight  0.10000E+01 volume  0.47073E-02 ppm1      8.269 ppm2      8.390 CV     1
 ASSI {  361}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      4.300     2.300     1.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.41285E-03 ppm1      1.621 ppm2      8.319 CV     1
 ASSI {  362}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.91020E-02 ppm1      1.940 ppm2      9.068 CV     1
 OR {  362}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  363}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.43560E-02 ppm1      1.756 ppm2      9.068 CV     1
 ASSI {  364}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.19631E-02 ppm1      1.652 ppm2      9.068 CV     1
 ASSI {  365}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HE  ))
      3.500     1.600     1.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.91211E-03 ppm1      1.761 ppm2      7.391 CV     1
 ASSI {  366}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HE  ))
      3.900     1.900     1.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.48422E-03 ppm1      1.657 ppm2      7.391 CV     1
 ASSI {  367}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HG2 ))
      3.000     1.100     1.100 peak   367 spectrum    1 weight  0.10000E+01 volume  0.15866E-02 ppm1      3.239 ppm2      1.751 CV     1
 OR {  367}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  368}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG3 ))
      3.100     1.200     1.200 peak   368 spectrum    1 weight  0.10000E+01 volume  0.14812E-02 ppm1      3.237 ppm2      1.651 CV     1
 OR {  368}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HG3 ))
 ASSI {  369}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB3 ))
      3.600     1.700     1.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.74968E-03 ppm1      4.210 ppm2      1.667 CV     1
 ASSI {  370}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.10977E-02 ppm1      4.215 ppm2      1.737 CV     1
 ASSI {  371}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.68101E-03 ppm1      3.227 ppm2      9.068 CV     1
 OR {  371}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  372}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.14639E-02 ppm1      1.940 ppm2      8.834 CV     1
 OR {  372}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  373}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.600     1.600 peak   373 spectrum    1 weight  0.10000E+01 volume  0.79060E-03 ppm1      1.652 ppm2      8.834 CV     1
 ASSI {  374}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.57646E-03 ppm1      1.756 ppm2      8.834 CV     1
 ASSI {  375}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   375 spectrum    1 weight  0.10000E+01 volume  0.18729E-02 ppm1      4.209 ppm2      8.834 CV     1
 ASSI {  376}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.25755E-02 ppm1      8.832 ppm2      9.068 CV     1
 ASSI {  377}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.20704E-02 ppm1      3.041 ppm2      9.070 CV     1
 ASSI {  378}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.000     0.500     0.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.12042E-01 ppm1      4.361 ppm2      9.069 CV     1
 ASSI {  379}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      5.000     3.100     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.34880E-03 ppm1      3.425 ppm2      9.069 CV     1
 ASSI {  380}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.600     2.600     1.400 peak   380 spectrum    1 weight  0.10000E+01 volume  0.64743E-03 ppm1      9.070 ppm2      9.404 CV     1
 ASSI {  381}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      4.700     2.700     1.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.58146E-03 ppm1      1.856 ppm2      9.404 CV     1
 ASSI {  382}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak   382 spectrum    1 weight  0.10000E+01 volume  0.24246E-02 ppm1      0.816 ppm2      9.404 CV     1
 ASSI {  383}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.37264E-02 ppm1      0.757 ppm2      9.404 CV     1
 ASSI {  384}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      1.900     0.500     0.500 peak   384 spectrum    1 weight  0.10000E+01 volume  0.99622E-02 ppm1      4.617 ppm2      9.404 CV     1
 ASSI {  385}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.100     3.300     0.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.25658E-03 ppm1      8.646 ppm2      9.404 CV     1
 ASSI {  386}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.800     1.800     1.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.13501E-02 ppm1      2.743 ppm2      8.645 CV     1
 ASSI {  387}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.500     1.600     1.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      3.021 ppm2      8.643 CV     1
 ASSI {  388}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak   388 spectrum    1 weight  0.10000E+01 volume  0.15472E-02 ppm1      4.662 ppm2      8.645 CV     1
 ASSI {  389}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      4.400     2.400     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.78673E-03 ppm1      0.816 ppm2      7.901 CV     1
 ASSI {  390}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 8    and name HN  ))
      2.800     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.28695E-02 ppm1      7.142 ppm2      7.900 CV     1
 ASSI {  391}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.16819E-02 ppm1      7.142 ppm2      8.644 CV     1
 ASSI {  392}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 8    and name HN  ))
      4.300     2.300     1.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.62777E-03 ppm1      7.410 ppm2      7.900 CV     1
 ASSI {  393}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.77669E-03 ppm1      7.907 ppm2      8.644 CV     1
 ASSI {  394}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      4.500     2.500     1.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.42981E-03 ppm1      4.266 ppm2      7.146 CV     1
 ASSI {  395}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 8    and name HD% )
      2.800     1.000     1.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.22112E-02 ppm1      3.616 ppm2      7.146 CV     1
 ASSI {  396}
   (( segid "    " and resid 7    and name HD3 ))
   (  segid "    " and resid 8    and name HD% )
      3.900     1.900     1.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.18906E-02 ppm1      3.576 ppm2      7.146 CV     1
 ASSI {  397}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.900     0.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.42672E-02 ppm1      4.271 ppm2      7.900 CV     1
 ASSI {  398}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.17382E-02 ppm1      3.614 ppm2      7.900 CV     1
 ASSI {  399}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.100     1.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.94760E-03 ppm1      3.573 ppm2      7.900 CV     1
 ASSI {  400}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 8    and name HE% )
      3.500     1.600     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.73154E-03 ppm1      3.614 ppm2      7.418 CV     1
 ASSI {  401}
   (( segid "    " and resid 7    and name HD3 ))
   (  segid "    " and resid 8    and name HE% )
      4.700     2.800     1.300 peak   401 spectrum    1 weight  0.10000E+01 volume  0.48230E-03 ppm1      3.573 ppm2      7.418 CV     1
 ASSI {  402}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.59420E-03 ppm1      3.614 ppm2      8.438 CV     1
 ASSI {  403}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   403 spectrum    1 weight  0.10000E+01 volume  0.73115E-03 ppm1      3.564 ppm2      8.438 CV     1
 ASSI {  404}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      2.200     2.200     3.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.90402E-02 ppm1      4.532 ppm2      3.621 CV     1
 ASSI {  405}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      2.300     2.300     3.700 peak   405 spectrum    1 weight  0.10000E+01 volume  0.91442E-02 ppm1      4.532 ppm2      3.561 CV     1
 ASSI {  411}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.11174E-02 ppm1      1.287 ppm2      8.439 CV     1
 ASSI {  412}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG3 ))
      4.100     2.100     1.900 peak   412 spectrum    1 weight  0.10000E+01 volume  0.25967E-03 ppm1      4.527 ppm2      1.285 CV     1
 ASSI {  413}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HE  ))
      3.600     1.600     1.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.90015E-03 ppm1      1.457 ppm2      7.091 CV     1
 ASSI {  414}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HE  ))
      3.700     1.700     1.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.62852E-03 ppm1      1.340 ppm2      7.091 CV     1
 ASSI {  415}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HE  ))
      4.100     2.100     1.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.53284E-03 ppm1      1.288 ppm2      7.091 CV     1
 ASSI {  416}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.000     1.100     1.100 peak   416 spectrum    1 weight  0.10000E+01 volume  0.21434E-02 ppm1      2.994 ppm2      1.522 CV     1
 OR {  416}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  417}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HB3 ))
      3.600     1.600     1.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.12393E-02 ppm1      2.990 ppm2      1.458 CV     1
 OR {  417}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  418}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
      2.700     0.900     0.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.32596E-02 ppm1      2.990 ppm2      1.334 CV     1
 OR {  418}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  419}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG3 ))
      2.900     1.100     1.100 peak   419 spectrum    1 weight  0.10000E+01 volume  0.18536E-02 ppm1      2.995 ppm2      1.285 CV     1
 OR {  419}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI {  421}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.100     0.500     0.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.12617E-01 ppm1      4.206 ppm2      8.438 CV     1
 ASSI {  422}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.20056E-02 ppm1      8.312 ppm2      8.438 CV     1
 ASSI {  423}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG3 ))
      2.500     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.39354E-02 ppm1      1.446 ppm2      1.360 CV     1
 OR {  423}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  423}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG2 ))
 OR {  423}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI {  424}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG2 ))
      2.600     0.800     0.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.44255E-02 ppm1      1.737 ppm2      1.360 CV     1
 OR {  424}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI {  425}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB3 ))
      1.800     0.400     0.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.84501E-02 ppm1      1.737 ppm2      1.665 CV     1
 ASSI {  426}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.300     0.700     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.11228E-01 ppm1      3.932 ppm2      8.314 CV     1
 OR {  426}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  427}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.500     1.500     1.500 peak   427 spectrum    1 weight  0.10000E+01 volume  0.15735E-02 ppm1      8.312 ppm2      8.573 CV     1
 ASSI {  428}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.38777E-02 ppm1      4.494 ppm2      8.574 CV     1
 ASSI {  429}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak   429 spectrum    1 weight  0.10000E+01 volume  0.19446E-02 ppm1      4.553 ppm2      8.718 CV     1
 ASSI {  430}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.300     0.700     0.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.77321E-02 ppm1      4.346 ppm2      8.415 CV     1
 ASSI {  431}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak   431 spectrum    1 weight  0.10000E+01 volume  0.76051E-03 ppm1      4.260 ppm2      8.414 CV     1
 ASSI {  432}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.600     1.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.17613E-02 ppm1      8.099 ppm2      8.415 CV     1
 ASSI {  433}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.11131E-02 ppm1      1.225 ppm2      8.414 CV     1
 ASSI {  437}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.67792E-02 ppm1      4.676 ppm2      8.099 CV     1
 ASSI {  438}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.26982E-02 ppm1      2.716 ppm2      8.099 CV     1
 OR {  438}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  439}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.28799E-02 ppm1      8.099 ppm2      8.587 CV     1
 ASSI {  440}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.40050E-02 ppm1      4.440 ppm2      8.025 CV     1
 ASSI {  441}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.51279E-03 ppm1      1.656 ppm2      8.023 CV     1
 OR {  441}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  442}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   442 spectrum    1 weight  0.10000E+01 volume  0.17031E-02 ppm1      8.022 ppm2      8.415 CV     1
 ASSI {  443}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.400     1.400 peak   443 spectrum    1 weight  0.10000E+01 volume  0.15769E-02 ppm1      1.227 ppm2      8.586 CV     1
 ASSI {  444}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.000     1.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.38179E-02 ppm1      4.315 ppm2      8.586 CV     1
 ASSI {  445}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.54171E-02 ppm1      7.980 ppm2      8.587 CV     1
 ASSI {  446}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.50466E-02 ppm1      4.788 ppm2      7.980 CV     1
 ASSI {  447}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.300     1.300 peak   447 spectrum    1 weight  0.10000E+01 volume  0.10557E-02 ppm1      3.333 ppm2      7.982 CV     1
 ASSI {  448}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.10518E-02 ppm1      3.246 ppm2      7.978 CV     1
 ASSI {  449}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      7.373 ppm2      7.982 CV     1
 ASSI {  450}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.24767E-02 ppm1      6.827 ppm2      7.373 CV     1
 ASSI {  451}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      2.600     0.800     0.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.29223E-02 ppm1      3.333 ppm2      6.830 CV     1
 ASSI {  452}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HD2 ))
      3.100     1.200     1.200 peak   452 spectrum    1 weight  0.10000E+01 volume  0.49117E-02 ppm1      3.246 ppm2      6.831 CV     1
 ASSI {  453}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      4.200     2.200     1.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.98892E-03 ppm1      4.788 ppm2      6.830 CV     1
 ASSI {  454}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HE1 ))
      3.700     1.700     1.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.56332E-03 ppm1      6.826 ppm2      8.132 CV     1
 ASSI {  455}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HE1 ))
      4.700     2.800     1.300 peak   455 spectrum    1 weight  0.10000E+01 volume  0.58107E-03 ppm1      4.793 ppm2      8.132 CV     1
 ASSI {  456}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.000     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.32133E-02 ppm1      3.889 ppm2      7.376 CV     1
 ASSI {  457}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.49309E-02 ppm1      7.373 ppm2      8.006 CV     1
 ASSI {  458}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.42172E-02 ppm1      0.682 ppm2      8.004 CV     1
 ASSI {  459}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.40589E-02 ppm1      0.540 ppm2      8.004 CV     1
 ASSI {  460}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.000     2.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.11872E-02 ppm1      1.966 ppm2      7.376 CV     1
 ASSI {  461}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.19847E-02 ppm1      0.682 ppm2      7.374 CV     1
 ASSI {  462}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      2.500     0.800     0.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.28930E-02 ppm1      0.540 ppm2      7.374 CV     1
 ASSI {  466}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 30   and name HD2 ))
      4.300     2.300     1.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.11270E-02 ppm1      0.682 ppm2      6.830 CV     1
 ASSI {  467}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 30   and name HD2 ))
      3.400     1.500     1.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.94647E-03 ppm1      0.540 ppm2      6.828 CV     1
 ASSI {  468}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 30   and name HE1 ))
      4.800     2.800     1.200 peak   468 spectrum    1 weight  0.10000E+01 volume  0.41168E-03 ppm1      0.682 ppm2      8.134 CV     1
 ASSI {  469}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 30   and name HE1 ))
      3.000     1.100     1.100 peak   469 spectrum    1 weight  0.10000E+01 volume  0.14110E-02 ppm1      0.540 ppm2      8.132 CV     1
 ASSI {  470}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.17938E-02 ppm1      4.085 ppm2      8.009 CV     1
 ASSI {  471}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.23667E-02 ppm1      7.034 ppm2      8.006 CV     1
 ASSI {  472}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HB3 ))
      3.600     1.600     1.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.97887E-03 ppm1      2.981 ppm2      1.765 CV     1
 OR {  472}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI {  473}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HD3 ))
      2.600     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.39084E-02 ppm1      2.981 ppm2      1.676 CV     1
 OR {  473}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HD2 ))
 OR {  473}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HD2 ))
 OR {  473}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HD3 ))
 ASSI {  474}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
      3.300     1.400     1.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.17826E-02 ppm1      1.889 ppm2      1.578 CV     1
 ASSI {  475}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
      2.400     0.700     0.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.37330E-02 ppm1      1.889 ppm2      1.467 CV     1
 ASSI {  476}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.300     2.400     1.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.50044E-03 ppm1      1.889 ppm2      8.007 CV     1
 ASSI {  477}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.13219E-02 ppm1      1.765 ppm2      8.007 CV     1
 ASSI {  478}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 28   and name HN  ))
      4.600     2.700     1.400 peak   478 spectrum    1 weight  0.10000E+01 volume  0.64126E-03 ppm1      0.682 ppm2      7.036 CV     1
 ASSI {  479}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      4.500     2.500     1.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.45451E-03 ppm1      0.540 ppm2      7.036 CV     1
 ASSI {  482}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.46456E-02 ppm1      3.065 ppm2      8.196 CV     1
 ASSI {  484}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.56254E-02 ppm1      1.834 ppm2      7.840 CV     1
 ASSI {  485}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.43599E-02 ppm1      7.276 ppm2      7.838 CV     1
 ASSI {  486}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     0.600     0.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.51549E-02 ppm1      1.395 ppm2      8.196 CV     1
 ASSI {  487}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      4.000     2.000     2.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.93373E-03 ppm1      1.167 ppm2      8.196 CV     1
 ASSI {  488}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.20704E-02 ppm1      1.095 ppm2      8.196 CV     1
 OR {  488}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  489}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HN  ))
      4.600     2.600     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.59033E-03 ppm1      1.598 ppm2      8.196 CV     1
 OR {  489}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  492}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      1.800     0.400     0.400 peak   492 spectrum    1 weight  0.10000E+01 volume  0.96847E-02 ppm1      1.391 ppm2      1.172 CV     1
 ASSI {  493}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.500     0.800     0.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.39741E-02 ppm1      1.172 ppm2      1.092 CV     1
 OR {  493}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  496}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.17887E-02 ppm1      1.251 ppm2      8.193 CV     1
 ASSI {  497}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     0.600     0.600 peak   497 spectrum    1 weight  0.10000E+01 volume  0.77321E-02 ppm1      4.418 ppm2      8.196 CV     1
 ASSI {  498}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      1.800     0.400     0.400 peak   498 spectrum    1 weight  0.10000E+01 volume  0.12339E-01 ppm1      4.713 ppm2      8.196 CV     1
 ASSI {  499}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      3.060 ppm2      8.557 CV     1
 ASSI {  500}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.700     0.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.50313E-02 ppm1      1.395 ppm2      8.557 CV     1
 ASSI {  501}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.15777E-02 ppm1      1.167 ppm2      8.556 CV     1
 ASSI {  502}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      4.200     2.200     1.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.94995E-03 ppm1      1.095 ppm2      8.557 CV     1
 OR {  502}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  503}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.700     0.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.40550E-02 ppm1      8.194 ppm2      8.558 CV     1
 ASSI {  504}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.23494E-02 ppm1      4.058 ppm2      8.193 CV     1
 ASSI {  505}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.33738E-02 ppm1      1.301 ppm2      8.061 CV     1
 ASSI {  506}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.300     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.16668E-02 ppm1      4.058 ppm2      8.062 CV     1
 ASSI {  507}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.25932E-02 ppm1      8.062 ppm2      8.558 CV     1
 ASSI {  511}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   511 spectrum    1 weight  0.10000E+01 volume  0.15715E-02 ppm1      2.884 ppm2      7.585 CV     1
 ASSI {  512}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.17749E-02 ppm1      4.418 ppm2      7.585 CV     1
 ASSI {  513}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.35984E-02 ppm1      7.585 ppm2      8.062 CV     1
 ASSI {  514}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   514 spectrum    1 weight  0.10000E+01 volume  0.29756E-02 ppm1      3.124 ppm2      8.449 CV     1
 ASSI {  515}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak   515 spectrum    1 weight  0.10000E+01 volume  0.13863E-02 ppm1      3.021 ppm2      8.449 CV     1
 ASSI {  516}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.15665E-03 ppm1      1.390 ppm2      7.587 CV     1
 ASSI {  517}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   517 spectrum    1 weight  0.10000E+01 volume  0.49852E-02 ppm1      7.585 ppm2      8.451 CV     1
 ASSI {  518}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.500     1.500 peak   518 spectrum    1 weight  0.10000E+01 volume  0.14616E-02 ppm1      4.054 ppm2      7.840 CV     1
 ASSI {  519}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.63200E-02 ppm1      1.392 ppm2      7.840 CV     1
 ASSI {  520}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.43407E-02 ppm1      7.842 ppm2      8.451 CV     1
 ASSI {  523}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   523 spectrum    1 weight  0.10000E+01 volume  0.16167E-02 ppm1      3.970 ppm2      7.276 CV     1
 ASSI {  524}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     2.200     1.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.55058E-03 ppm1      1.834 ppm2      7.275 CV     1
 ASSI {  525}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      4.100     2.100     1.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.76973E-03 ppm1      1.770 ppm2      7.276 CV     1
 ASSI {  526}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HN  ))
      4.700     2.700     1.300 peak   526 spectrum    1 weight  0.10000E+01 volume  0.57954E-03 ppm1      3.206 ppm2      7.838 CV     1
 OR {  526}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  527}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      4.600     2.600     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.68871E-03 ppm1      2.925 ppm2      7.840 CV     1
 ASSI {  528}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      4.600     2.600     1.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.50814E-03 ppm1      4.153 ppm2      6.983 CV     1
 ASSI {  529}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.400     1.400     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.30940E-02 ppm1      2.925 ppm2      6.986 CV     1
 ASSI {  530}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.900     1.000     1.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.16965E-02 ppm1      2.662 ppm2      6.984 CV     1
 ASSI {  531}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HE1 ))
      5.100     3.300     0.900 peak   531 spectrum    1 weight  0.10000E+01 volume  0.33722E-03 ppm1      2.662 ppm2      7.994 CV     1
 ASSI {  532}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.41672E-02 ppm1      3.865 ppm2      8.190 CV     1
 ASSI {  533}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak   533 spectrum    1 weight  0.10000E+01 volume  0.11791E-02 ppm1      3.865 ppm2      7.033 CV     1
 ASSI {  534}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.20303E-02 ppm1      7.032 ppm2      8.191 CV     1
 ASSI {  535}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.43290E-02 ppm1      7.276 ppm2      8.191 CV     1
 ASSI {  538}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.600     1.600     1.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.87702E-03 ppm1      4.155 ppm2      8.192 CV     1
 ASSI {  539}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.600     1.600     1.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.27445E-02 ppm1      2.931 ppm2      8.192 CV     1
 ASSI {  540}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      2.666 ppm2      8.191 CV     1
 ASSI {  542}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      2.500     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.37727E-02 ppm1      3.868 ppm2      1.159 CV     1
 OR {  542}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD2%)
 ASSI {  544}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.000     1.100     1.100 peak   544 spectrum    1 weight  0.10000E+01 volume  0.11996E-02 ppm1      2.004 ppm2      1.759 CV     1
 ASSI {  545}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
      1.700     0.400     0.500 peak   545 spectrum    1 weight  0.10000E+01 volume  0.11112E-01 ppm1      1.943 ppm2      1.759 CV     1
 ASSI {  546}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      2.300     0.700     0.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.77786E-02 ppm1      1.941 ppm2      1.159 CV     1
 OR {  546}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD2%)
 ASSI {  547}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HD2%)
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.71341E-02 ppm1      1.761 ppm2      1.160 CV     1
 OR {  547}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI {  548}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.900     1.100     1.100 peak   548 spectrum    1 weight  0.10000E+01 volume  0.23741E-02 ppm1      2.962 ppm2      1.091 CV     1
 OR {  548}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HG2 ))
 OR {  548}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HG3 ))
 OR {  548}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  549}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HB3 ))
      4.300     2.300     1.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.45569E-03 ppm1      2.964 ppm2      1.172 CV     1
 OR {  549}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HB3 ))
 ASSI {  550}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HD2 ))
      2.900     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.21541E-02 ppm1      2.960 ppm2      1.594 CV     1
 OR {  550}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HD3 ))
 OR {  550}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HD2 ))
 OR {  550}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HD3 ))
 ASSI {  551}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.800     1.800     1.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.15164E-02 ppm1      2.962 ppm2      1.391 CV     1
 OR {  551}
   (( segid "    " and resid 20   and name HE2 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  552}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 20   and name HZ% )
      6.000     4.500     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.095 ppm2      7.675 CV     1
 OR {  552}
   (( segid "    " and resid 20   and name HG3 ))
   (  segid "    " and resid 20   and name HZ% )
 ASSI {  553}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 20   and name HZ% )
      6.000     4.500     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.167 ppm2      7.674 CV     1
 ASSI {  554}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 20   and name HZ% )
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.395 ppm2      7.674 CV     1
 ASSI {  555}
   (( segid "    " and resid 20   and name HD3 ))
   (  segid "    " and resid 20   and name HZ% )
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.598 ppm2      7.672 CV     1
 OR {  555}
   (( segid "    " and resid 20   and name HD2 ))
   (  segid "    " and resid 20   and name HZ% )
 ASSI {  556}
   (( segid "    " and resid 20   and name HE2 ))
   (  segid "    " and resid 20   and name HZ% )
      4.300     4.300     1.700 peak   556 spectrum    1 weight  0.10000E+01 volume  0.19600E-03 ppm1      2.963 ppm2      7.672 CV     1
 OR {  556}
   (( segid "    " and resid 20   and name HE3 ))
   (  segid "    " and resid 20   and name HZ% )
 ASSI {  558}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      1.500     0.300     0.700 peak   558 spectrum    1 weight  0.10000E+01 volume  0.33614E-01 ppm1      2.214 ppm2      1.623 CV     1
 ASSI {  559}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.49966E-02 ppm1      2.542 ppm2      7.586 CV     1
 ASSI {  560}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HB3 ))
      1.900     0.500     0.500 peak   560 spectrum    1 weight  0.10000E+01 volume  0.50235E-02 ppm1      2.936 ppm2      2.668 CV     1
 ASSI {  563}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 17   and name HZ  ))
      2.900     1.000     1.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.28066E-02 ppm1      3.409 ppm2      6.180 CV     1
 ASSI {  564}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.18899E-02 ppm1      2.542 ppm2      8.452 CV     1
 ASSI {  566}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HD21))
      3.400     1.400     1.400 peak   566 spectrum    1 weight  0.10000E+01 volume  0.13284E-02 ppm1      2.884 ppm2      7.520 CV     1
 ASSI {  567}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HD22))
      3.300     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.35331E-02 ppm1      2.884 ppm2      7.222 CV     1
 ASSI {  568}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD21))
      3.900     1.900     1.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.11332E-02 ppm1      4.418 ppm2      7.518 CV     1
 ASSI {  569}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD22))
      4.000     2.000     2.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.96113E-03 ppm1      4.418 ppm2      7.219 CV     1
 ASSI {  570}
   (( segid "    " and resid 22   and name HD22))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.13273E-02 ppm1      7.221 ppm2      8.062 CV     1
 ASSI {  571}
   (( segid "    " and resid 22   and name HD22))
   (( segid "    " and resid 22   and name HD21))
      1.500     0.300     0.700 peak   571 spectrum    1 weight  0.10000E+01 volume  0.21152E-01 ppm1      7.221 ppm2      7.518 CV     1
 ASSI {  572}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      4.400     2.500     1.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.31793E-03 ppm1      8.576 ppm2      8.717 CV     1
 ASSI {  573}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      5.000     3.100     1.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.15781E-03 ppm1      3.879 ppm2      8.574 CV     1
 ASSI {  574}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      3.600     1.600     1.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.65631E-03 ppm1      3.906 ppm2      8.573 CV     1
 ASSI {  575}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.700     2.800     1.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.59264E-03 ppm1      3.932 ppm2      8.438 CV     1
 OR {  575}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  576}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     5.600     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.81796E-04 ppm1      1.446 ppm2      7.901 CV     1
 OR {  576}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  577}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     6.000     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.44373E-04 ppm1      1.360 ppm2      7.901 CV     1
 OR {  577}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  578}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      5.100     3.200     0.900 peak   578 spectrum    1 weight  0.10000E+01 volume  0.37079E-03 ppm1      5.131 ppm2      8.317 CV     1
 ASSI {  580}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      5.300     3.500     0.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.29671E-03 ppm1      2.836 ppm2      8.319 CV     1
 ASSI {  581}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      5.100     3.300     0.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.34803E-03 ppm1      1.271 ppm2      8.319 CV     1
 ASSI {  582}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      5.900     4.400     0.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.13466E-03 ppm1      0.816 ppm2      8.318 CV     1
 ASSI {  583}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
      4.800     2.900     1.200 peak   583 spectrum    1 weight  0.10000E+01 volume  0.59651E-03 ppm1      0.816 ppm2      8.266 CV     1
 ASSI {  584}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      4.900     3.000     1.100 peak   584 spectrum    1 weight  0.10000E+01 volume  0.13543E-03 ppm1      0.757 ppm2      8.317 CV     1
 ASSI {  585}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      4.300     2.300     1.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.93025E-03 ppm1      0.757 ppm2      8.266 CV     1
 ASSI {  586}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      4.300     2.300     1.700 peak   586 spectrum    1 weight  0.10000E+01 volume  0.41672E-03 ppm1      2.225 ppm2      8.317 CV     1
 ASSI {  587}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.18131E-02 ppm1      3.041 ppm2      8.318 CV     1
 ASSI {  588}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.700     1.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.10580E-02 ppm1      3.041 ppm2      8.265 CV     1
 ASSI {  589}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   589 spectrum    1 weight  0.10000E+01 volume  0.19326E-02 ppm1      3.425 ppm2      8.317 CV     1
 ASSI {  590}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      4.800     2.900     1.200 peak   590 spectrum    1 weight  0.10000E+01 volume  0.10298E-02 ppm1      3.425 ppm2      8.266 CV     1
 ASSI {  591}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
      4.900     3.000     1.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.36770E-03 ppm1      6.863 ppm2      8.317 CV     1
 ASSI {  593}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.36578E-03 ppm1      8.317 ppm2      9.404 CV     1
 ASSI {  594}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.100     3.200     0.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.46108E-03 ppm1      8.266 ppm2      9.404 CV     1
 ASSI {  595}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.400     1.400 peak   595 spectrum    1 weight  0.10000E+01 volume  0.17328E-02 ppm1      1.737 ppm2      8.438 CV     1
 ASSI {  596}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.61503E-03 ppm1      1.665 ppm2      8.438 CV     1
 ASSI {  597}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   597 spectrum    1 weight  0.10000E+01 volume  0.14523E-02 ppm1      7.907 ppm2      9.062 CV     1
 ASSI {  598}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.400     0.800 peak   598 spectrum    1 weight  0.10000E+01 volume  0.18868E-03 ppm1      7.142 ppm2      9.060 CV     1
 ASSI {  599}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   599 spectrum    1 weight  0.10000E+01 volume  0.80217E-03 ppm1      7.142 ppm2      8.196 CV     1
 ASSI {  600}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.29764E-02 ppm1      7.409 ppm2      8.196 CV     1
 ASSI {  601}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      2.000     0.500     0.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.62777E-02 ppm1      4.713 ppm2      7.420 CV     1
 ASSI {  602}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      6.000     4.700     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.15549E-03 ppm1      4.266 ppm2      7.420 CV     1
 ASSI {  606}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.700     1.700 peak   606 spectrum    1 weight  0.10000E+01 volume  0.19450E-02 ppm1      1.119 ppm2      7.900 CV     1
 ASSI {  607}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.61851E-03 ppm1      1.970 ppm2      7.904 CV     1
 ASSI {  608}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.200     2.200     1.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.34841E-03 ppm1      1.709 ppm2      7.901 CV     1
 ASSI {  609}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      4.300     2.300     1.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.11433E-02 ppm1      1.527 ppm2      7.900 CV     1
 ASSI {  610}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      4.500     2.600     1.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.42981E-03 ppm1      1.970 ppm2      7.419 CV     1
 ASSI {  611}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      3.900     1.900     1.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.46843E-03 ppm1      1.970 ppm2      7.146 CV     1
 ASSI {  612}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 8    and name HE% )
      3.100     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.56794E-03 ppm1      1.707 ppm2      7.420 CV     1
 ASSI {  613}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 8    and name HD% )
      2.900     1.100     1.100 peak   613 spectrum    1 weight  0.10000E+01 volume  0.92833E-03 ppm1      1.707 ppm2      7.146 CV     1
 ASSI {  614}
   (( segid "    " and resid 7    and name HG3 ))
   (  segid "    " and resid 8    and name HE% )
      3.700     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.16074E-02 ppm1      1.531 ppm2      7.420 CV     1
 ASSI {  615}
   (( segid "    " and resid 7    and name HG3 ))
   (  segid "    " and resid 8    and name HD% )
      3.800     1.800     1.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.26121E-02 ppm1      1.531 ppm2      7.145 CV     1
 ASSI {  616}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 8    and name HE% )
      4.000     2.000     2.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.25712E-02 ppm1      1.119 ppm2      7.421 CV     1
 ASSI {  617}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.700     1.700     1.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.29964E-02 ppm1      1.119 ppm2      7.148 CV     1
 ASSI {  618}
   (  segid "    " and resid 9    and name HG1%)
   (  segid "    " and resid 8    and name HD% )
      6.000     4.900     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.13350E-03 ppm1      0.816 ppm2      7.148 CV     1
 ASSI {  619}
   (  segid "    " and resid 19   and name HG2%)
   (  segid "    " and resid 8    and name HE% )
      4.300     2.300     1.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.86005E-03 ppm1      1.251 ppm2      7.420 CV     1
 ASSI {  621}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.400     1.400 peak   621 spectrum    1 weight  0.10000E+01 volume  0.16082E-02 ppm1      0.816 ppm2      9.067 CV     1
 ASSI {  622}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.500     2.500     1.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.69027E-03 ppm1      0.757 ppm2      9.066 CV     1
 ASSI {  627}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 9    and name HG1%)
      5.100     3.200     0.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.39241E-03 ppm1      3.418 ppm2      0.822 CV     1
 ASSI {  628}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 9    and name HG2%)
      4.900     2.900     1.100 peak   628 spectrum    1 weight  0.10000E+01 volume  0.61155E-03 ppm1      3.421 ppm2      0.761 CV     1
 ASSI {  629}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 9    and name HG2%)
      4.600     2.600     1.400 peak   629 spectrum    1 weight  0.10000E+01 volume  0.31562E-03 ppm1      3.042 ppm2      0.761 CV     1
 ASSI {  630}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 9    and name HG1%)
      4.900     3.000     1.100 peak   630 spectrum    1 weight  0.10000E+01 volume  0.23691E-03 ppm1      3.044 ppm2      0.822 CV     1
 ASSI {  634}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.400     1.400 peak   634 spectrum    1 weight  0.10000E+01 volume  0.20199E-02 ppm1      5.110 ppm2      9.406 CV     1
 ASSI {  635}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      2.300     0.700     0.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.52318E-02 ppm1      7.290 ppm2      9.060 CV     1
 ASSI {  636}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 17   and name HN  ))
      4.400     2.400     1.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.62043E-03 ppm1      6.849 ppm2      9.060 CV     1
 ASSI {  637}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
      3.700     1.700     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.74198E-03 ppm1      6.849 ppm2      9.405 CV     1
 ASSI {  638}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.600     1.600 peak   638 spectrum    1 weight  0.10000E+01 volume  0.49270E-03 ppm1      7.290 ppm2      9.405 CV     1
 ASSI {  639}
   (( segid "    " and resid 17   and name HZ  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.800     1.800     1.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.98004E-03 ppm1      6.177 ppm2      6.984 CV     1
 ASSI {  640}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     2.900     3.100 peak   640 spectrum    1 weight  0.10000E+01 volume  0.63547E-03 ppm1      6.985 ppm2      9.405 CV     1
 ASSI {  641}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.84305E-03 ppm1      4.359 ppm2      8.834 CV     1
 ASSI {  642}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.300     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.17934E-02 ppm1      4.355 ppm2      6.983 CV     1
 ASSI {  643}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.000     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.13018E-02 ppm1      3.425 ppm2      6.983 CV     1
 ASSI {  644}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.700     2.700     3.300 peak   644 spectrum    1 weight  0.10000E+01 volume  0.10044E-01 ppm1      3.043 ppm2      6.983 CV     1
 ASSI {  646}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      3.200     1.300     1.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.70841E-03 ppm1      3.425 ppm2      6.862 CV     1
 ASSI {  647}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      3.200     1.300     1.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.58107E-02 ppm1      3.043 ppm2      6.862 CV     1
 ASSI {  648}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.700     2.700     1.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.95765E-03 ppm1      4.357 ppm2      1.942 CV     1
 OR {  648}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  649}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      4.400     2.500     1.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.78943E-03 ppm1      4.353 ppm2      1.751 CV     1
 ASSI {  650}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      5.300     3.600     0.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.35497E-03 ppm1      4.355 ppm2      1.651 CV     1
 ASSI {  651}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 9    and name HG1%)
      6.000     5.000     0.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.35497E-04 ppm1      4.353 ppm2      0.822 CV     1
 ASSI {  652}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      4.900     3.000     1.100 peak   652 spectrum    1 weight  0.10000E+01 volume  0.38661E-03 ppm1      4.355 ppm2      0.761 CV     1
 ASSI {  662}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      5.000     3.100     1.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.15935E-03 ppm1      3.425 ppm2      8.834 CV     1
 ASSI {  663}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.13119E-03 ppm1      3.227 ppm2      8.834 CV     1
 OR {  663}
   (( segid "    " and resid 11   and name HD3 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  664}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     3.600     2.400 peak   664 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      8.266 ppm2      8.834 CV     1
 ASSI {  665}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      5.500     3.800     0.500 peak   665 spectrum    1 weight  0.10000E+01 volume  0.30829E-03 ppm1      0.285 ppm2      8.267 CV     1
 ASSI {  666}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 30   and name HE1 ))
      2.800     1.000     1.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.31770E-02 ppm1      0.285 ppm2      8.132 CV     1
 ASSI {  667}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 30   and name HD2 ))
      3.400     1.500     1.500 peak   667 spectrum    1 weight  0.10000E+01 volume  0.16271E-02 ppm1      0.285 ppm2      6.830 CV     1
 ASSI {  670}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 30   and name HD2 ))
      4.800     2.800     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.73733E-03 ppm1      0.685 ppm2      6.829 CV     1
 ASSI {  671}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 30   and name HD2 ))
      3.500     1.500     1.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.46608E-03 ppm1      1.068 ppm2      6.829 CV     1
 ASSI {  672}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 30   and name HD2 ))
      2.500     0.800     0.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.36975E-02 ppm1      1.174 ppm2      6.829 CV     1
 ASSI {  673}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 30   and name HD2 ))
      4.200     2.200     1.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.50775E-03 ppm1      1.340 ppm2      6.826 CV     1
 ASSI {  675}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 26   and name HD2 ))
      4.700     2.800     1.300 peak   675 spectrum    1 weight  0.10000E+01 volume  0.29054E-03 ppm1      0.682 ppm2      6.986 CV     1
 ASSI {  676}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 26   and name HD2 ))
      4.000     2.000     2.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.37349E-03 ppm1      0.540 ppm2      6.985 CV     1
 ASSI {  677}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.51279E-03 ppm1      1.167 ppm2      8.447 CV     1
 ASSI {  678}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      5.500     3.800     0.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.18404E-03 ppm1      1.095 ppm2      8.448 CV     1
 OR {  678}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  679}
   (  segid "    " and resid 29   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.15472E-03 ppm1      0.682 ppm2      8.191 CV     1
 ASSI {  680}
   (  segid "    " and resid 29   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.13119E-03 ppm1      0.540 ppm2      8.190 CV     1
 ASSI {  683}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 30   and name HE1 ))
      4.400     2.400     1.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.18061E-02 ppm1      5.130 ppm2      8.132 CV     1
 ASSI {  684}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 22   and name HD21))
      3.100     1.200     1.200 peak   684 spectrum    1 weight  0.10000E+01 volume  0.99044E-03 ppm1      5.508 ppm2      7.521 CV     1
 ASSI {  685}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      5.500     3.800     0.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.22880E-03 ppm1      5.508 ppm2      7.586 CV     1
 ASSI {  686}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 22   and name HD21))
      3.400     1.500     1.500 peak   686 spectrum    1 weight  0.10000E+01 volume  0.14369E-02 ppm1      1.251 ppm2      7.520 CV     1
 ASSI {  687}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.900     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.11266E-03 ppm1      1.251 ppm2      7.586 CV     1
 ASSI {  689}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.33850E-02 ppm1      5.508 ppm2      8.064 CV     1
 ASSI {  690}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
      4.700     2.700     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.23382E-03 ppm1      5.508 ppm2      8.194 CV     1
 ASSI {  691}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak   691 spectrum    1 weight  0.10000E+01 volume  0.79752E-03 ppm1      5.508 ppm2      8.562 CV     1
 ASSI {  695}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.15125E-03 ppm1      1.598 ppm2      8.560 CV     1
 OR {  695}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  696}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      5.600     3.900     0.400 peak   696 spectrum    1 weight  0.10000E+01 volume  0.12462E-03 ppm1      4.713 ppm2      8.064 CV     1
 ASSI {  697}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   697 spectrum    1 weight  0.10000E+01 volume  0.10757E-02 ppm1      4.713 ppm2      8.558 CV     1
 ASSI {  699}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.600     1.600     1.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.17864E-03 ppm1      8.395 ppm2      9.069 CV     1
 ASSI {  700}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.900     4.400     0.100 peak   700 spectrum    1 weight  0.10000E+01 volume  0.91059E-04 ppm1      8.395 ppm2      9.401 CV     1
 ASSI {  703}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 12   and name HG2%)
      3.100     1.200     1.200 peak   703 spectrum    1 weight  0.10000E+01 volume  0.19990E-02 ppm1      2.837 ppm2      0.281 CV     1
 ASSI {  704}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 12   and name HG2%)
      3.300     1.400     1.400 peak   704 spectrum    1 weight  0.10000E+01 volume  0.78634E-03 ppm1      3.242 ppm2      0.277 CV     1
 ASSI {  705}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 12   and name HG2%)
      3.800     1.800     1.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.11679E-02 ppm1      3.336 ppm2      0.277 CV     1
 ASSI {  706}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 12   and name HG2%)
      4.600     2.700     1.400 peak   706 spectrum    1 weight  0.10000E+01 volume  0.95687E-03 ppm1      3.519 ppm2      0.281 CV     1
 ASSI {  709}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      3.400     1.400     1.400 peak   709 spectrum    1 weight  0.10000E+01 volume  0.14183E-02 ppm1      5.126 ppm2      0.277 CV     1
 ASSI {  710}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 12   and name HD1%)
      3.000     1.100     1.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.33032E-02 ppm1      3.242 ppm2      0.680 CV     1
 ASSI {  711}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 12   and name HD1%)
      2.300     2.300     3.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.29613E-02 ppm1      3.340 ppm2      0.680 CV     1
 ASSI {  714}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      4.000     2.000     2.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.26855E-03 ppm1      3.349 ppm2      1.163 CV     1
 ASSI {  716}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      4.100     2.100     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.59842E-03 ppm1      4.793 ppm2      0.541 CV     1
 ASSI {  717}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
      4.500     2.600     1.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.97039E-03 ppm1      4.796 ppm2      0.682 CV     1
 ASSI {  718}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 29   and name HG2%)
      3.600     1.600     1.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.10464E-02 ppm1      4.154 ppm2      0.541 CV     1
 ASSI {  719}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
      3.000     1.100     1.100 peak   719 spectrum    1 weight  0.10000E+01 volume  0.18435E-02 ppm1      4.159 ppm2      0.682 CV     1
 ASSI {  721}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak   721 spectrum    1 weight  0.10000E+01 volume  0.57259E-03 ppm1      3.041 ppm2      8.396 CV     1
 ASSI {  722}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak   722 spectrum    1 weight  0.10000E+01 volume  0.16510E-02 ppm1      3.425 ppm2      8.395 CV     1
 ASSI {  724}
   (( segid "    " and resid 30   and name HE1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.500     2.600     1.500 peak   724 spectrum    1 weight  0.10000E+01 volume  0.22186E-03 ppm1      8.129 ppm2      8.390 CV     1
 ASSI {  725}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 30   and name HE1 ))
      3.600     1.600     1.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.55985E-02 ppm1      3.522 ppm2      8.132 CV     1
 ASSI {  726}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 30   and name HE1 ))
      1.800     0.400     0.400 peak   726 spectrum    1 weight  0.10000E+01 volume  0.86275E-02 ppm1      2.836 ppm2      8.132 CV     1
 ASSI {  729}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.200     1.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.22923E-02 ppm1      1.396 ppm2      8.267 CV     1
 ASSI {  730}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      5.500     3.700     0.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.28514E-03 ppm1      0.872 ppm2      8.267 CV     1
 ASSI {  731}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      4.700     2.800     1.300 peak   731 spectrum    1 weight  0.10000E+01 volume  0.59651E-03 ppm1      0.822 ppm2      8.267 CV     1
 ASSI {  732}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.500     1.500 peak   732 spectrum    1 weight  0.10000E+01 volume  0.23806E-03 ppm1      0.822 ppm2      8.314 CV     1
 ASSI {  733}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      4.300     2.300     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.65209E-04 ppm1      0.872 ppm2      8.314 CV     1
 ASSI {  734}
   (  segid "    " and resid 16   and name HB% )
   (  segid "    " and resid 9    and name HG1%)
      2.400     2.400     3.600 peak   734 spectrum    1 weight  0.10000E+01 volume  0.19157E-02 ppm1      1.267 ppm2      0.819 CV     1
 ASSI {  735}
   (  segid "    " and resid 16   and name HB% )
   (  segid "    " and resid 9    and name HG2%)
      3.200     1.300     1.300 peak   735 spectrum    1 weight  0.10000E+01 volume  0.19157E-02 ppm1      1.269 ppm2      0.757 CV     1
 ASSI {  736}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 9    and name HG1%)
      2.900     1.000     1.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.61347E-02 ppm1      4.232 ppm2      0.822 CV     1
 ASSI {  737}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      2.100     0.500     0.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.10985E-01 ppm1      4.230 ppm2      0.761 CV     1
 ASSI {  738}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 9    and name HG1%)
      4.900     3.000     1.100 peak   738 spectrum    1 weight  0.10000E+01 volume  0.84192E-03 ppm1      2.226 ppm2      0.822 CV     1
 ASSI {  739}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 9    and name HG2%)
      4.400     2.400     1.600 peak   739 spectrum    1 weight  0.10000E+01 volume  0.11058E-02 ppm1      2.224 ppm2      0.761 CV     1
 ASSI {  740}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 9    and name HG1%)
      3.700     1.700     1.700 peak   740 spectrum    1 weight  0.10000E+01 volume  0.29659E-02 ppm1      1.402 ppm2      0.819 CV     1
 ASSI {  741}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 9    and name HG2%)
      4.700     2.700     1.300 peak   741 spectrum    1 weight  0.10000E+01 volume  0.98196E-03 ppm1      1.398 ppm2      0.757 CV     1
 ASSI {  742}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 9    and name HG2%)
      3.000     1.100     1.100 peak   742 spectrum    1 weight  0.10000E+01 volume  0.24320E-02 ppm1      1.621 ppm2      0.757 CV     1
 ASSI {  743}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 9    and name HG1%)
      4.400     2.500     1.600 peak   743 spectrum    1 weight  0.10000E+01 volume  0.67944E-03 ppm1      1.619 ppm2      0.819 CV     1
 ASSI {  745}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      2.700     2.700     3.300 peak   745 spectrum    1 weight  0.10000E+01 volume  0.10406E-02 ppm1      5.110 ppm2      0.820 CV     1
 ASSI {  746}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      3.400     1.500     1.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.14793E-02 ppm1      5.112 ppm2      0.756 CV     1
 ASSI {  748}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 9    and name HG1%)
      2.700     2.700     3.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      5.119 ppm2      0.820 CV     1
 ASSI {  750}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      4.600     2.700     1.400 peak   750 spectrum    1 weight  0.10000E+01 volume  0.52279E-03 ppm1      3.409 ppm2      9.404 CV     1
 ASSI {  751}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      5.200     3.300     0.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.97617E-04 ppm1      3.497 ppm2      9.404 CV     1
 ASSI {  752}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 26   and name HE1 ))
      3.300     1.400     1.400 peak   752 spectrum    1 weight  0.10000E+01 volume  0.84575E-03 ppm1      3.505 ppm2      7.992 CV     1
 ASSI {  753}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 26   and name HE1 ))
      4.200     2.300     1.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.54828E-03 ppm1      3.407 ppm2      7.994 CV     1
 ASSI {  754}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      4.000     2.000     2.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.99200E-03 ppm1      3.412 ppm2      7.296 CV     1
 ASSI {  755}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      4.900     3.000     1.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.33182E-03 ppm1      3.501 ppm2      7.296 CV     1
 ASSI {  756}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      5.100     3.200     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.99548E-04 ppm1      3.501 ppm2      6.985 CV     1
 ASSI {  757}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      4.800     2.800     1.200 peak   757 spectrum    1 weight  0.10000E+01 volume  0.53671E-03 ppm1      3.412 ppm2      6.985 CV     1
 ASSI {  758}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      4.200     2.200     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.40706E-03 ppm1      3.407 ppm2      6.862 CV     1
 ASSI {  759}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      2.400     0.700     0.700 peak   759 spectrum    1 weight  0.10000E+01 volume  0.18571E-02 ppm1      3.502 ppm2      6.862 CV     1
 ASSI {  760}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HZ  ))
      3.200     1.300     1.300 peak   760 spectrum    1 weight  0.10000E+01 volume  0.19662E-02 ppm1      3.499 ppm2      6.180 CV     1
 ASSI {  762}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10688E-03 ppm1      6.986 ppm2      8.317 CV     1
 ASSI {  763}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      5.700     4.100     0.300 peak   763 spectrum    1 weight  0.10000E+01 volume  0.28552E-03 ppm1      0.816 ppm2      8.238 CV     1
 ASSI {  764}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.900     1.200 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13427E-03 ppm1      0.757 ppm2      8.237 CV     1
 ASSI {  765}
   (  segid "    " and resid 17   and name HE% )
   (( segid "    " and resid 16   and name HN  ))
      3.200     3.200     2.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.35227E-03 ppm1      6.863 ppm2      8.239 CV     1
 ASSI {  766}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      4.800     2.800     1.200 peak   766 spectrum    1 weight  0.10000E+01 volume  0.88241E-03 ppm1      1.271 ppm2      9.406 CV     1
 ASSI {  767}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   767 spectrum    1 weight  0.10000E+01 volume  0.75468E-03 ppm1      1.271 ppm2      9.431 CV     1
 ASSI {  769}
   (  segid "    " and resid 16   and name HB% )
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak   769 spectrum    1 weight  0.10000E+01 volume  0.54480E-03 ppm1      1.272 ppm2      7.899 CV     1
 ASSI {  770}
   (  segid "    " and resid 16   and name HB% )
   (  segid "    " and resid 17   and name HD% )
      3.600     1.700     1.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.21344E-02 ppm1      1.270 ppm2      7.293 CV     1
 ASSI {  771}
   (  segid "    " and resid 16   and name HB% )
   (  segid "    " and resid 17   and name HE% )
      6.000     5.300     0.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.79869E-04 ppm1      1.270 ppm2      6.858 CV     1
 ASSI {  772}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.500     0.800     0.800 peak   772 spectrum    1 weight  0.10000E+01 volume  0.36562E-02 ppm1      5.112 ppm2      7.296 CV     1
 ASSI {  775}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 16   and name HB% )
      4.000     2.000     2.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12146E-02 ppm1      4.619 ppm2      1.271 CV     1
 ASSI {  777}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 16   and name HB% )
      4.400     2.400     1.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.31485E-03 ppm1      1.852 ppm2      1.273 CV     1
 ASSI {  778}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      5.000     3.200     1.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.24539E-03 ppm1      2.738 ppm2      9.061 CV     1
 ASSI {  785}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 22   and name HD21))
      3.000     1.100     1.100 peak   785 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      2.851 ppm2      7.520 CV     1
 ASSI {  786}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 22   and name HD21))
      6.000     4.600     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.12964E-03 ppm1      3.386 ppm2      7.520 CV     1
 ASSI {  789}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.800     1.800     1.800 peak   789 spectrum    1 weight  0.10000E+01 volume  0.64935E-03 ppm1      2.847 ppm2      7.146 CV     1
 ASSI {  790}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      3.700     1.700     1.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.44294E-03 ppm1      3.382 ppm2      7.146 CV     1
 ASSI {  791}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      4.600     2.600     1.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.33144E-03 ppm1      4.778 ppm2      6.863 CV     1
 ASSI {  794}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.600     2.700     1.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.22533E-03 ppm1      3.022 ppm2      9.432 CV     1
 ASSI {  795}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.86814E-03 ppm1      7.290 ppm2      9.433 CV     1
 ASSI {  796}
   (( segid "    " and resid 22   and name HD21))
   (( segid "    " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.26623E-03 ppm1      7.521 ppm2      9.433 CV     1
 ASSI {  797}
   (( segid "    " and resid 22   and name HD22))
   (( segid "    " and resid 18   and name HN  ))
      4.400     2.500     1.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.81913E-03 ppm1      7.221 ppm2      9.427 CV     1
 ASSI {  798}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      5.000     3.100     1.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.25736E-03 ppm1      9.066 ppm2      9.432 CV     1
 ASSI {  799}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 22   and name HD21))
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.14083E-03 ppm1      1.437 ppm2      7.521 CV     1
 ASSI {  800}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HD21))
      6.000     5.800     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.52088E-04 ppm1      4.523 ppm2      7.518 CV     1
 ASSI {  801}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      4.000     2.000     2.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.13431E-02 ppm1      4.773 ppm2      1.436 CV     1
 ASSI {  802}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
      1.700     0.400     0.500 peak   802 spectrum    1 weight  0.10000E+01 volume  0.74389E-02 ppm1      3.378 ppm2      2.849 CV     1
 ASSI {  805}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      5.600     3.900     0.400 peak   805 spectrum    1 weight  0.10000E+01 volume  0.35073E-03 ppm1      3.387 ppm2      1.435 CV     1
 ASSI {  806}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 18   and name HG2%)
      5.200     3.400     0.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.28282E-03 ppm1      2.860 ppm2      1.441 CV     1
 ASSI {  807}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 5    and name HD2 ))
      4.800     2.900     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.44334E-03 ppm1      3.612 ppm2      1.445 CV     1
 OR {  807}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 5    and name HD3 ))
 ASSI {  808}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 5    and name HD2 ))
      4.500     2.500     1.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.38121E-03 ppm1      3.558 ppm2      1.445 CV     1
 OR {  808}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 5    and name HD3 ))
 ASSI {  809}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 5    and name HG3 ))
      4.400     2.400     1.600 peak   809 spectrum    1 weight  0.10000E+01 volume  0.31793E-03 ppm1      3.615 ppm2      1.360 CV     1
 OR {  809}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  810}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 5    and name HG3 ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.25157E-03 ppm1      3.552 ppm2      1.360 CV     1
 OR {  810}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  812}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.900     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.52862E-04 ppm1      4.528 ppm2      2.849 CV     1
 ASSI {  819}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.000     2.000     2.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.24821E-02 ppm1      4.420 ppm2      1.841 CV     1
 ASSI {  820}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.400     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.21731E-02 ppm1      4.418 ppm2      1.782 CV     1
 ASSI {  821}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.200     1.300     1.300 peak   821 spectrum    1 weight  0.10000E+01 volume  0.70610E-03 ppm1      4.418 ppm2      1.688 CV     1
 ASSI {  822}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
      5.100     3.200     0.900 peak   822 spectrum    1 weight  0.10000E+01 volume  0.27433E-03 ppm1      4.420 ppm2      1.566 CV     1
 ASSI {  823}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HD3 ))
      3.900     1.900     1.900 peak   823 spectrum    1 weight  0.10000E+01 volume  0.66866E-03 ppm1      4.422 ppm2      3.206 CV     1
 OR {  823}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI {  824}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.400     1.400 peak   824 spectrum    1 weight  0.10000E+01 volume  0.92407E-03 ppm1      5.508 ppm2      7.223 CV     1
 ASSI {  825}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.46725E-02 ppm1      1.764 ppm2      8.191 CV     1
 ASSI {  826}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     0.700     0.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.48461E-02 ppm1      1.943 ppm2      8.191 CV     1
 ASSI {  827}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     3.200     2.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.38044E-03 ppm1      6.829 ppm2      8.191 CV     1
 ASSI {  828}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.700     1.400 peak   828 spectrum    1 weight  0.10000E+01 volume  0.30095E-03 ppm1      7.838 ppm2      8.191 CV     1
 ASSI {  829}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      4.900     3.000     1.100 peak   829 spectrum    1 weight  0.10000E+01 volume  0.50931E-03 ppm1      1.251 ppm2      8.060 CV     1
 ASSI {  831}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.600     2.600     1.400 peak   831 spectrum    1 weight  0.10000E+01 volume  0.21298E-03 ppm1      7.585 ppm2      8.559 CV     1
 ASSI {  832}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.400     2.400     1.600 peak   832 spectrum    1 weight  0.10000E+01 volume  0.27356E-03 ppm1      4.059 ppm2      7.276 CV     1
 ASSI {  833}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.69258E-03 ppm1      4.057 ppm2      7.585 CV     1
 ASSI {  834}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HG  ))
      4.100     2.100     1.900 peak   834 spectrum    1 weight  0.10000E+01 volume  0.15468E-02 ppm1      4.059 ppm2      2.001 CV     1
 ASSI {  835}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     1.000     1.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.19971E-02 ppm1      4.059 ppm2      1.937 CV     1
 ASSI {  836}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.600     1.600     1.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.84153E-03 ppm1      4.059 ppm2      1.757 CV     1
 ASSI {  839}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      5.100     3.200     0.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.36423E-03 ppm1      1.300 ppm2      7.586 CV     1
 ASSI {  840}
   (( segid "    " and resid 22   and name HD21))
   (( segid "    " and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.28591E-03 ppm1      7.519 ppm2      8.062 CV     1
 ASSI {  841}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   841 spectrum    1 weight  0.10000E+01 volume  0.15762E-02 ppm1      4.531 ppm2      9.431 CV     1
 ASSI {  844}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 22   and name HD21))
      6.000     4.500     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.11382E-03 ppm1      4.511 ppm2      7.518 CV     1
 ASSI {  845}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.74003E-03 ppm1      4.515 ppm2      7.221 CV     1
 ASSI {  846}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     5.000     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.99931E-04 ppm1      4.528 ppm2      2.852 CV     1
 ASSI {  847}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      2.900     1.100     1.100 peak   847 spectrum    1 weight  0.10000E+01 volume  0.21005E-02 ppm1      4.516 ppm2      1.436 CV     1
 ASSI {  848}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 31   and name HN  ))
      4.000     2.000     2.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.53593E-03 ppm1      4.305 ppm2      7.979 CV     1
 ASSI {  849}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.300     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.18401E-02 ppm1      4.307 ppm2      8.586 CV     1
 ASSI {  850}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      5.500     3.800     0.500 peak   850 spectrum    1 weight  0.10000E+01 volume  0.16668E-03 ppm1      4.318 ppm2      7.376 CV     1
 ASSI {  851}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      4.900     3.000     1.100 peak   851 spectrum    1 weight  0.10000E+01 volume  0.24153E-03 ppm1      4.318 ppm2      7.373 CV     1
 ASSI {  853}
   (( segid "    " and resid 31   and name HB  ))
   (  segid "    " and resid 31   and name HG2%)
      2.400     0.700     0.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.66018E-02 ppm1      4.310 ppm2      1.221 CV     1
 ASSI {  854}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 27   and name HD2%)
      3.100     1.200     1.200 peak   854 spectrum    1 weight  0.10000E+01 volume  0.32577E-02 ppm1      4.063 ppm2      1.159 CV     1
 OR {  854}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI {  855}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.300     1.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.73311E-03 ppm1      1.157 ppm2      8.191 CV     1
 ASSI {  856}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   856 spectrum    1 weight  0.10000E+01 volume  0.21187E-02 ppm1      2.003 ppm2      8.191 CV     1
 ASSI {  864}
   (( segid "    " and resid 22   and name HD22))
   (( segid "    " and resid 23   and name HN  ))
      2.600     2.600     3.400 peak   864 spectrum    1 weight  0.10000E+01 volume  0.13771E-02 ppm1      7.221 ppm2      7.587 CV     1
 ASSI {  865}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     2.600     3.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.13099E-02 ppm1      7.282 ppm2      7.587 CV     1
 ASSI {  866}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 23   and name HN  ))
      4.800     2.800     1.200 peak   866 spectrum    1 weight  0.10000E+01 volume  0.18906E-03 ppm1      7.158 ppm2      7.587 CV     1
 ASSI {  867}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.200     2.200     1.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.48500E-03 ppm1      7.587 ppm2      7.838 CV     1
 ASSI {  868}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      5.700     4.100     0.300 peak   868 spectrum    1 weight  0.10000E+01 volume  0.50157E-04 ppm1      7.585 ppm2      8.198 CV     1
 ASSI {  871}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.600     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.10456E-03 ppm1      2.542 ppm2      8.061 CV     1
 ASSI {  872}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      3.200     1.300     1.300 peak   872 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      3.124 ppm2      7.292 CV     1
 ASSI {  873}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      3.300     1.300     1.300 peak   873 spectrum    1 weight  0.10000E+01 volume  0.31330E-03 ppm1      3.124 ppm2      7.145 CV     1
 ASSI {  874}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.400     2.400     3.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.70493E-02 ppm1      3.021 ppm2      7.292 CV     1
 ASSI {  876}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      3.600     1.600     1.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.32237E-02 ppm1      2.542 ppm2      7.291 CV     1
 ASSI {  877}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      2.900     2.900     3.100 peak   877 spectrum    1 weight  0.10000E+01 volume  0.62160E-03 ppm1      2.542 ppm2      7.143 CV     1
 ASSI {  884}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      4.200     2.200     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.10159E-02 ppm1      3.382 ppm2      2.543 CV     1
 ASSI {  886}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 23   and name HB3 ))
      4.100     2.100     1.900 peak   886 spectrum    1 weight  0.10000E+01 volume  0.23023E-02 ppm1      2.846 ppm2      2.544 CV     1
 ASSI {  888}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.700     1.700     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.64435E-03 ppm1      7.276 ppm2      8.451 CV     1
 ASSI {  889}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak   889 spectrum    1 weight  0.10000E+01 volume  0.65091E-03 ppm1      8.062 ppm2      8.449 CV     1
 ASSI {  890}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     3.100     2.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.37519E-02 ppm1      1.406 ppm2      8.449 CV     1
 ASSI {  891}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      3.200     3.200     2.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.40011E-03 ppm1      1.392 ppm2      8.063 CV     1
 ASSI {  892}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.48539E-03 ppm1      3.961 ppm2      1.394 CV     1
 ASSI {  893}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      4.900     2.900     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.33144E-03 ppm1      2.662 ppm2      7.840 CV     1
 ASSI {  894}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      4.700     2.800     1.300 peak   894 spectrum    1 weight  0.10000E+01 volume  0.21838E-03 ppm1      3.021 ppm2      7.840 CV     1
 ASSI {  895}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      5.800     4.200     0.200 peak   895 spectrum    1 weight  0.10000E+01 volume  0.15935E-03 ppm1      4.155 ppm2      7.840 CV     1
 ASSI {  896}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.16734E-02 ppm1      4.418 ppm2      7.840 CV     1
 ASSI {  897}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      5.000     3.100     1.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.37272E-03 ppm1      1.944 ppm2      7.275 CV     1
 ASSI {  900}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.700     2.800     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.12385E-03 ppm1      1.687 ppm2      7.278 CV     1
 ASSI {  901}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
      4.300     2.300     1.700 peak   901 spectrum    1 weight  0.10000E+01 volume  0.12308E-03 ppm1      1.561 ppm2      7.278 CV     1
 ASSI {  902}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HE  ))
      2.900     1.100     1.100 peak   902 spectrum    1 weight  0.10000E+01 volume  0.19940E-02 ppm1      4.418 ppm2      7.293 CV     1
 ASSI {  903}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 25   and name HE  ))
      2.400     0.700     0.700 peak   903 spectrum    1 weight  0.10000E+01 volume  0.33823E-02 ppm1      2.884 ppm2      7.295 CV     1
 ASSI {  904}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 25   and name HE  ))
      3.900     1.900     1.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.11077E-02 ppm1      2.662 ppm2      7.293 CV     1
 ASSI {  905}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 25   and name HE  ))
      3.300     1.400     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.10395E-02 ppm1      2.925 ppm2      7.295 CV     1
 ASSI {  906}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HE  ))
      4.200     2.300     1.800 peak   906 spectrum    1 weight  0.10000E+01 volume  0.52553E-03 ppm1      4.155 ppm2      7.295 CV     1
 ASSI {  907}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      5.100     3.300     0.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.32989E-03 ppm1      3.868 ppm2      7.276 CV     1
 ASSI {  910}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.400     1.400     1.400 peak   910 spectrum    1 weight  0.10000E+01 volume  0.98196E-03 ppm1      4.523 ppm2      7.146 CV     1
 ASSI {  911}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 8    and name HD% )
      4.400     2.400     1.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.43677E-03 ppm1      4.515 ppm2      7.144 CV     1
 ASSI {  912}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      5.400     3.600     0.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.10881E-03 ppm1      4.523 ppm2      7.419 CV     1
 ASSI {  913}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 8    and name HE% )
      6.000     6.000     0.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.23151E-04 ppm1      4.511 ppm2      7.421 CV     1
 ASSI {  914}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak   914 spectrum    1 weight  0.10000E+01 volume  0.55445E-03 ppm1      3.973 ppm2      7.036 CV     1
 ASSI {  915}
   (  segid "    " and resid 9    and name HG1%)
   (  segid "    " and resid 17   and name HD% )
      5.100     3.200     0.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.31677E-03 ppm1      0.816 ppm2      7.293 CV     1
 ASSI {  916}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      5.100     3.200     0.900 peak   916 spectrum    1 weight  0.10000E+01 volume  0.32488E-03 ppm1      1.764 ppm2      7.277 CV     1
 ASSI {  920}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.48887E-03 ppm1      6.986 ppm2      8.191 CV     1
 ASSI {  922}
   (( segid "    " and resid 17   and name HZ  ))
   (( segid "    " and resid 26   and name HE1 ))
      3.700     1.700     1.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.12729E-02 ppm1      6.172 ppm2      7.995 CV     1
 ASSI {  923}
   (( segid "    " and resid 17   and name HZ  ))
   (( segid "    " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.91829E-04 ppm1      6.169 ppm2      8.317 CV     1
 ASSI {  924}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 26   and name HE1 ))
      3.900     1.900     1.900 peak   924 spectrum    1 weight  0.10000E+01 volume  0.60808E-03 ppm1      6.834 ppm2      7.995 CV     1
 ASSI {  925}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 30   and name HE1 ))
      3.700     1.700     1.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.56215E-03 ppm1      7.995 ppm2      8.131 CV     1
 ASSI {  926}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.300     2.400     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.10279E-02 ppm1      6.986 ppm2      7.276 CV     1
 ASSI {  929}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      2.700     0.900     0.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.32688E-02 ppm1      3.867 ppm2      6.983 CV     1
 ASSI {  930}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HE1 ))
      6.000     4.600     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.10803E-03 ppm1      2.930 ppm2      7.994 CV     1
 ASSI {  936}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HD2 ))
      2.900     1.000     1.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.22035E-02 ppm1      1.146 ppm2      6.829 CV     1
 ASSI {  937}
   (( segid "    " and resid 29   and name HB  ))
   (( segid "    " and resid 30   and name HD2 ))
      5.700     4.000     0.300 peak   937 spectrum    1 weight  0.10000E+01 volume  0.20681E-03 ppm1      1.966 ppm2      6.830 CV     1
 ASSI {  938}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      4.300     2.300     1.700 peak   938 spectrum    1 weight  0.10000E+01 volume  0.12000E-02 ppm1      1.764 ppm2      6.985 CV     1
 ASSI {  939}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 30   and name HD2 ))
      5.200     3.400     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.55715E-03 ppm1      1.764 ppm2      6.827 CV     1
 ASSI {  940}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.800     1.800     1.800 peak   940 spectrum    1 weight  0.10000E+01 volume  0.69414E-03 ppm1      1.943 ppm2      6.987 CV     1
 ASSI {  941}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      5.100     3.300     0.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.34725E-03 ppm1      1.943 ppm2      6.829 CV     1
 ASSI {  942}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 26   and name HD2 ))
      4.900     3.000     1.100 peak   942 spectrum    1 weight  0.10000E+01 volume  0.54480E-03 ppm1      2.003 ppm2      6.985 CV     1
 ASSI {  943}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 30   and name HD2 ))
      5.400     3.600     0.600 peak   943 spectrum    1 weight  0.10000E+01 volume  0.21723E-03 ppm1      2.003 ppm2      6.829 CV     1
 ASSI {  944}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 26   and name HD2 ))
      3.100     1.200     1.200 peak   944 spectrum    1 weight  0.10000E+01 volume  0.33422E-02 ppm1      1.157 ppm2      6.985 CV     1
 ASSI {  946}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      5.000     3.100     1.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.37774E-03 ppm1      1.157 ppm2      7.280 CV     1
 ASSI {  947}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      4.200     2.200     1.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.61464E-03 ppm1      1.157 ppm2      7.035 CV     1
 ASSI {  948}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      3.200     1.300     1.300 peak   948 spectrum    1 weight  0.10000E+01 volume  0.86041E-03 ppm1      2.925 ppm2      6.861 CV     1
 ASSI {  949}
   (( segid "    " and resid 26   and name HB3 ))
   (  segid "    " and resid 17   and name HE% )
      3.700     1.700     1.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.11328E-02 ppm1      2.662 ppm2      6.861 CV     1
 ASSI {  951}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 17   and name HZ  ))
      2.900     1.000     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.12073E-02 ppm1      2.925 ppm2      6.180 CV     1
 ASSI {  952}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 17   and name HZ  ))
      3.500     1.500     1.500 peak   952 spectrum    1 weight  0.10000E+01 volume  0.18736E-02 ppm1      2.665 ppm2      6.180 CV     1
 ASSI {  959}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.400     1.400 peak   959 spectrum    1 weight  0.10000E+01 volume  0.40937E-02 ppm1      1.898 ppm2      7.035 CV     1
 ASSI {  960}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.100     0.600     0.600 peak   960 spectrum    1 weight  0.10000E+01 volume  0.84692E-02 ppm1      1.770 ppm2      7.038 CV     1
 ASSI {  965}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   965 spectrum    1 weight  0.10000E+01 volume  0.66287E-03 ppm1      4.091 ppm2      7.374 CV     1
 ASSI {  966}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HB2 ))
      4.700     2.800     1.300 peak   966 spectrum    1 weight  0.10000E+01 volume  0.14623E-03 ppm1      2.981 ppm2      1.894 CV     1
 OR {  966}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  967}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HG2 ))
      3.100     1.200     1.200 peak   967 spectrum    1 weight  0.10000E+01 volume  0.22768E-02 ppm1      2.979 ppm2      1.577 CV     1
 OR {  967}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI {  968}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HG3 ))
      3.200     1.300     1.300 peak   968 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      2.981 ppm2      1.480 CV     1
 OR {  968}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI {  969}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
      1.800     0.400     0.400 peak   969 spectrum    1 weight  0.10000E+01 volume  0.78595E-02 ppm1      1.898 ppm2      1.765 CV     1
 ASSI {  974}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak   974 spectrum    1 weight  0.10000E+01 volume  0.17247E-03 ppm1      1.470 ppm2      8.013 CV     1
 ASSI {  975}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     5.000     0.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.11884E-03 ppm1      1.679 ppm2      8.010 CV     1
 OR {  975}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  976}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.300     2.300     1.700 peak   976 spectrum    1 weight  0.10000E+01 volume  0.13852E-03 ppm1      1.586 ppm2      8.010 CV     1
 ASSI {  980}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.800     1.800     1.800 peak   980 spectrum    1 weight  0.10000E+01 volume  0.74159E-03 ppm1      3.899 ppm2      2.716 CV     1
 OR {  980}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  986}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HE1 ))
      4.200     2.200     1.800 peak   986 spectrum    1 weight  0.10000E+01 volume  0.75777E-03 ppm1      1.159 ppm2      8.132 CV     1
 ASSI {  987}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.300     2.300     1.700 peak   987 spectrum    1 weight  0.10000E+01 volume  0.50044E-03 ppm1      7.376 ppm2      8.588 CV     1
 ASSI {  988}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 30   and name HE1 ))
      6.000     4.700     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.23305E-03 ppm1      0.685 ppm2      8.135 CV     1
 ASSI {  989}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.700     0.900     0.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.40167E-02 ppm1      6.838 ppm2      6.984 CV     1
 ASSI {  990}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.300     3.500     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.11073E-03 ppm1      4.311 ppm2      3.333 CV     1
 ASSI {  991}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      4.800     2.900     1.200 peak   991 spectrum    1 weight  0.10000E+01 volume  0.17054E-03 ppm1      4.311 ppm2      3.244 CV     1
 ASSI {  992}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      4.800     2.900     1.200 peak   992 spectrum    1 weight  0.10000E+01 volume  0.23151E-03 ppm1      4.791 ppm2      8.586 CV     1
 ASSI {  993}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.500     1.500     1.500 peak   993 spectrum    1 weight  0.10000E+01 volume  0.21684E-03 ppm1      2.716 ppm2      7.980 CV     1
 OR {  993}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  994}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.700     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.11537E-03 ppm1      4.676 ppm2      7.978 CV     1
 ASSI {  995}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.300     3.500     0.700 peak   995 spectrum    1 weight  0.10000E+01 volume  0.84884E-04 ppm1      4.303 ppm2      3.333 CV     1
 ASSI {  996}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.800     3.800     2.200 peak   996 spectrum    1 weight  0.10000E+01 volume  0.13543E-03 ppm1      4.301 ppm2      3.244 CV     1
 ASSI {  999}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.300     2.300     1.700 peak   999 spectrum    1 weight  0.10000E+01 volume  0.61273E-03 ppm1      4.314 ppm2      2.721 CV     1
 OR {  999}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI { 1000}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.000     3.100     1.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.21877E-03 ppm1      4.303 ppm2      2.721 CV     1
 OR { 1000}
   (( segid "    " and resid 31   and name HB  ))
   (( segid "    " and resid 32   and name HB3 ))
 ASSI { 1001}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
      3.600     1.600     1.600 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.76821E-03 ppm1      4.084 ppm2      1.222 CV     1
 ASSI { 1002}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
      5.200     3.400     0.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.19215E-03 ppm1      4.796 ppm2      1.225 CV     1
 ASSI { 1003}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 31   and name HG2%)
      3.600     1.600     1.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.73194E-03 ppm1      3.340 ppm2      1.224 CV     1
 ASSI { 1004}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 31   and name HG2%)
      4.300     2.300     1.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.61656E-03 ppm1      3.242 ppm2      1.224 CV     1
 ASSI { 1005}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 31   and name HG2%)
      2.900     2.900     3.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.61851E-03 ppm1      2.720 ppm2      1.224 CV     1
 OR { 1005}
   (( segid "    " and resid 32   and name HB3 ))
   (  segid "    " and resid 31   and name HG2%)
 ASSI { 1006}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.93912E-03 ppm1      4.085 ppm2      8.587 CV     1
 ASSI { 1007}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.700     1.700 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.81722E-03 ppm1      4.440 ppm2      8.099 CV     1
 ASSI { 1008}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      5.000     3.100     1.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.11922E-03 ppm1      4.676 ppm2      1.226 CV     1
 ASSI { 1009}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.73385E-03 ppm1      4.226 ppm2      8.393 CV     1
 ASSI { 1011}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 17   and name HE% )
      4.700     2.700     1.300 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.44373E-03 ppm1      3.387 ppm2      6.861 CV     1
 ASSI { 1012}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
      6.000     5.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.15819E-04 ppm1      4.555 ppm2      3.854 CV     1
 ASSI { 1016}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      3.200     1.200     1.200 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.94686E-03 ppm1      3.021 ppm2      7.140 CV     1
 ASSI { 1018}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.16437E-02 ppm1      4.415 ppm2      2.915 CV     1
 ASSI { 1019}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD22))
      3.500     1.600     1.600 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.18293E-02 ppm1      2.913 ppm2      7.222 CV     1
 ASSI { 1020}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 25   and name HE  ))
      4.100     2.100     1.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      2.911 ppm2      7.295 CV     1
 ASSI { 1021}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD21))
      2.600     0.800     0.800 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.75316E-03 ppm1      2.911 ppm2      7.520 CV     1
 ASSI { 1022}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.17189E-02 ppm1      2.910 ppm2      7.585 CV     1
 ASSI { 1023}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.10318E-02 ppm1      2.911 ppm2      8.061 CV     1
 ASSI { 1026}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 19   and name HB  ))
      3.100     1.200     1.200 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.72345E-03 ppm1      5.511 ppm2      4.419 CV     1
 ASSI { 1027}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.900     3.000     1.100 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.17247E-03 ppm1      5.511 ppm2      2.915 CV     1
 ASSI { 1028}
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 22   and name HB3 ))
      5.800     4.200     0.200 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.21028E-03 ppm1      5.506 ppm2      2.885 CV     1
 ASSI { 1029}
   (( segid "    " and resid 19   and name HG1 ))
   (  segid "    " and resid 21   and name HB% )
      3.100     1.200     1.200 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.12188E-02 ppm1      5.511 ppm2      1.301 CV     1
 ASSI { 1030}
   (( segid "    " and resid 19   and name HG1 ))
   (  segid "    " and resid 19   and name HG2%)
      2.600     0.800     0.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.54597E-02 ppm1      5.509 ppm2      1.252 CV     1
 ASSI { 1031}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      1.800     0.400     0.400 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.88780E-02 ppm1      1.970 ppm2      1.121 CV     1
 ASSI { 1032}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.100     1.200     1.200 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.80409E-03 ppm1      1.536 ppm2      1.121 CV     1
 ASSI { 1034}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.800     2.900     1.200 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.46147E-03 ppm1      4.534 ppm2      1.712 CV     1
 ASSI { 1035}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      4.600     2.600     1.400 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.78634E-03 ppm1      4.536 ppm2      1.535 CV     1
 ASSI { 1036}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     5.600     0.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.51701E-04 ppm1      4.530 ppm2      1.121 CV     1
 ASSI { 1037}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
      2.200     0.600     0.600 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.27923E-02 ppm1      3.023 ppm2      2.735 CV     1
 ASSI { 1038}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.88589E-03 ppm1      1.352 ppm2      9.068 CV     1
 ASSI { 1039}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.800     1.800 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.16761E-02 ppm1      1.156 ppm2      9.068 CV     1
 ASSI { 1040}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 11   and name HN  ))
      6.000     5.500     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.13736E-03 ppm1      1.066 ppm2      9.068 CV     1
 ASSI { 1041}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      5.400     3.600     0.600 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.17209E-03 ppm1      3.864 ppm2      9.068 CV     1
 ASSI { 1044}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.25195E-03 ppm1      0.686 ppm2      9.066 CV     1
 ASSI { 1045}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      5.200     3.300     0.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.29671E-03 ppm1      3.518 ppm2      8.319 CV     1
 ASSI { 1046}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.700     1.700 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.74081E-03 ppm1      4.227 ppm2      9.402 CV     1
 ASSI { 1047}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      5.700     4.000     0.300 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.23421E-03 ppm1      4.231 ppm2      6.863 CV     1
 ASSI { 1048}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 16   and name HB% )
      4.500     2.500     1.500 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.12019E-02 ppm1      4.227 ppm2      1.271 CV     1
 ASSI { 1050}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.22494E-02 ppm1      4.620 ppm2      9.063 CV     1
 ASSI { 1051}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      4.500     2.500     1.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.97926E-03 ppm1      1.166 ppm2      8.267 CV     1
 ASSI { 1052}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.31334E-02 ppm1      4.419 ppm2      8.558 CV     1
 ASSI { 1053}
   (  segid "    " and resid 19   and name HG2%)
   (  segid "    " and resid 8    and name HD% )
      4.500     2.500     1.500 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      1.251 ppm2      7.143 CV     1
 ASSI { 1054}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      4.532 ppm2      7.899 CV     1
 ASSI { 1055}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      2.300     0.600     0.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.71302E-02 ppm1      3.867 ppm2      6.830 CV     1
 ASSI { 1056}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 22   and name HD22))
      5.500     3.800     0.500 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.11058E-02 ppm1      3.384 ppm2      7.220 CV     1
 ASSI { 1058}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      3.500     1.500     1.500 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.98813E-03 ppm1      4.771 ppm2      2.998 CV     1
 OR { 1058}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
 ASSI { 1059}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.40011E-03 ppm1      4.155 ppm2      8.006 CV     1
 ASSI { 1060}
   (( segid "    " and resid 20   and name HG3 ))
   (  segid "    " and resid 8    and name HE% )
      3.800     1.800     1.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.39432E-03 ppm1      1.095 ppm2      7.418 CV     1
 OR { 1060}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 8    and name HE% )
 ASSI { 1061}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 8    and name HE% )
      6.000     4.500     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.30327E-03 ppm1      1.167 ppm2      7.418 CV     1
 ASSI { 1062}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      5.200     3.400     0.800 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.28475E-03 ppm1      1.395 ppm2      7.418 CV     1
 ASSI { 1063}
   (( segid "    " and resid 20   and name HD2 ))
   (  segid "    " and resid 8    and name HE% )
      4.800     2.800     1.200 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.34725E-03 ppm1      1.598 ppm2      7.421 CV     1
 OR { 1063}
   (( segid "    " and resid 20   and name HD3 ))
   (  segid "    " and resid 8    and name HE% )
 ASSI { 1064}
   (( segid "    " and resid 20   and name HD2 ))
   (  segid "    " and resid 8    and name HD% )
      3.400     1.500     1.500 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.23613E-03 ppm1      1.598 ppm2      7.147 CV     1
 OR { 1064}
   (( segid "    " and resid 20   and name HD3 ))
   (  segid "    " and resid 8    and name HD% )
 ASSI { 1065}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      4.300     2.300     1.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      1.395 ppm2      7.146 CV     1
 ASSI { 1066}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      4.900     3.000     1.100 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.47073E-03 ppm1      1.167 ppm2      7.147 CV     1
 ASSI { 1067}
   (( segid "    " and resid 20   and name HG3 ))
   (  segid "    " and resid 8    and name HD% )
      3.900     1.900     1.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.37581E-03 ppm1      1.095 ppm2      7.146 CV     1
 OR { 1067}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 8    and name HD% )
 ASSI { 1068}
   (( segid "    " and resid 20   and name HE3 ))
   (  segid "    " and resid 8    and name HE% )
      2.900     1.100     1.100 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.64013E-03 ppm1      2.962 ppm2      7.421 CV     1
 OR { 1068}
   (( segid "    " and resid 20   and name HE2 ))
   (  segid "    " and resid 8    and name HE% )
 ASSI { 1069}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      4.500     2.500     1.500 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.74737E-03 ppm1      3.045 ppm2      7.421 CV     1
 ASSI { 1070}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 8    and name HE% )
      4.600     2.700     1.400 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.44486E-03 ppm1      4.420 ppm2      7.420 CV     1
 ASSI { 1071}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 8    and name HD% )
      5.000     3.100     1.000 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.37581E-03 ppm1      4.420 ppm2      7.144 CV     1
 ASSI { 1072}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.000     1.100     1.100 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.97539E-03 ppm1      4.713 ppm2      7.148 CV     1
 ASSI { 1073}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      5.200     3.300     0.800 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.20758E-03 ppm1      4.355 ppm2      6.863 CV     1
 ASSI { 1074}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 17   and name HE% )
      5.200     3.300     0.800 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.19292E-03 ppm1      4.617 ppm2      6.863 CV     1
 ASSI { 1075}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      3.800     1.800     1.800 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.60346E-03 ppm1      4.615 ppm2      7.295 CV     1
 ASSI { 1077}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 22   and name HD22))
      4.400     2.400     1.600 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.12486E-02 ppm1      2.853 ppm2      7.223 CV     1
 ASSI { 1078}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 17   and name HZ  ))
      5.600     3.900     0.400 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.39858E-03 ppm1      3.034 ppm2      6.180 CV     1
 ASSI { 1081}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 21   and name HB% )
      3.400     1.400     1.400 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.14519E-02 ppm1      4.422 ppm2      1.304 CV     1
 ASSI { 1082}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.400     2.400     1.600 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.91985E-03 ppm1      4.619 ppm2      3.424 CV     1
 ASSI { 1083}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      4.700     2.800     1.300 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.68253E-03 ppm1      4.621 ppm2      3.042 CV     1
 ASSI { 1084}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.100     2.100     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.37928E-03 ppm1      3.386 ppm2      7.589 CV     1
 ASSI { 1085}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     3.000     3.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.56833E-03 ppm1      1.386 ppm2      8.396 CV     1
 ASSI { 1086}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 4    and name HN  ))
      3.800     3.800     2.200 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.13427E-03 ppm1      1.309 ppm2      8.592 CV     1
 ASSI { 1088}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 22   and name HN  ))
      5.600     3.900     0.400 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.35497E-03 ppm1      7.402 ppm2      8.049 CV     1
 ASSI { 1092}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 8    and name HZ  ))
      4.200     2.300     1.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.34610E-03 ppm1      1.092 ppm2      7.389 CV     1
 OR { 1092}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 8    and name HZ  ))
 ASSI { 1094}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 30   and name HN  ))
      4.600     2.600     1.400 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.22996E-03 ppm1      1.226 ppm2      7.379 CV     1
 ASSI { 1095}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 8    and name HZ  ))
      5.000     3.200     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.14777E-03 ppm1      1.372 ppm2      7.391 CV     1
 OR { 1095}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 8    and name HZ  ))
 ASSI { 1097}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 17   and name HD% )
      6.000     5.300     0.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.82570E-04 ppm1      1.419 ppm2      7.296 CV     1
 ASSI { 1098}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 8    and name HZ  ))
      5.600     4.000     0.400 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.18598E-03 ppm1      1.535 ppm2      7.389 CV     1
 ASSI { 1099}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 8    and name HZ  ))
      5.000     3.100     1.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.17556E-03 ppm1      1.609 ppm2      7.389 CV     1
 OR { 1099}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 8    and name HZ  ))
 ASSI { 1101}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 8    and name HZ  ))
      6.000     4.500     0.000 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.16745E-03 ppm1      3.047 ppm2      7.384 CV     1
 ASSI { 1102}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      4.600     2.600     1.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.35034E-03 ppm1      2.738 ppm2      7.585 CV     1
 ASSI { 1106}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 17   and name HZ  ))
      5.400     3.700     0.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.28552E-03 ppm1      4.151 ppm2      6.178 CV     1
 ASSI { 1107}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 8    and name HZ  ))
      5.400     3.600     0.600 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.42055E-03 ppm1      4.704 ppm2      7.389 CV     1
 ASSI { 1109}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.93064E-03 ppm1      7.023 ppm2      7.387 CV     1
 ASSI { 1112}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      5.000     3.200     1.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.40550E-03 ppm1      4.710 ppm2      1.393 CV     1
 ASSI { 1113}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      4.000     2.000     2.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.31137E-03 ppm1      5.122 ppm2      1.391 CV     1
 ASSI { 1116}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 5    and name HB2 ))
      5.600     3.900     0.400 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.16360E-03 ppm1      3.616 ppm2      1.755 CV     1
 ASSI { 1117}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.31446E-03 ppm1      3.551 ppm2      1.755 CV     1
 ASSI { 1118}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB  ))
      6.000     4.600     0.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.16745E-03 ppm1      4.216 ppm2      1.855 CV     1
 ASSI { 1119}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      4.500     2.500     1.500 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.30520E-03 ppm1      3.866 ppm2      1.657 CV     1
 ASSI { 1121}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      5.600     3.900     0.400 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.17671E-03 ppm1      4.796 ppm2      0.274 CV     1
 ASSI { 1122}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 29   and name HG1%)
      4.900     3.000     1.100 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.20372E-03 ppm1      4.335 ppm2      0.680 CV     1
 ASSI { 1124}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 29   and name HG2%)
      3.300     1.300     1.300 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.32835E-03 ppm1      0.936 ppm2      0.544 CV     1
 ASSI { 1125}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 19   and name HG2%)
      4.900     3.000     1.100 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.63665E-03 ppm1      2.878 ppm2      1.255 CV     1
 ASSI { 1127}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 19   and name HG2%)
      3.000     1.200     1.200 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.18343E-02 ppm1      4.519 ppm2      1.255 CV     1
 OR { 1127}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI { 1128}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
      4.100     2.100     1.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.80756E-03 ppm1      3.382 ppm2      2.910 CV     1
 ASSI { 1129}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.800     1.800     1.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.49504E-03 ppm1      3.379 ppm2      2.745 CV     1
 ASSI { 1130}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
      3.500     1.500     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.50083E-03 ppm1      3.120 ppm2      2.738 CV     1
 ASSI { 1131}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
      4.200     2.200     1.800 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.50083E-03 ppm1      3.117 ppm2      2.850 CV     1
 ASSI { 1133}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      4.500     2.500     1.500 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.11046E-02 ppm1      4.418 ppm2      2.850 CV     1
 ASSI { 1134}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      5.100     3.200     0.900 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.26661E-03 ppm1      4.415 ppm2      3.068 CV     1
 ASSI { 1135}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      4.200     2.200     1.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.65283E-03 ppm1      4.698 ppm2      3.061 CV     1
 ASSI { 1137}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      4.600     2.700     1.400 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.23034E-03 ppm1      4.062 ppm2      1.092 CV     1
 ASSI { 1138}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
      3.600     1.600     1.600 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      4.525 ppm2      1.365 CV     1
 OR { 1138}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI { 1139}
   (( segid "    " and resid 27   and name HG  ))
   (  segid "    " and resid 31   and name HG2%)
      3.300     1.400     1.400 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.96113E-03 ppm1      1.998 ppm2      1.223 CV     1
 ASSI { 1147}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 30   and name HE1 ))
      6.000     5.400     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.76011E-04 ppm1      3.867 ppm2      8.132 CV     1
 ASSI { 1152}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 22   and name HN  ))
      6.000     5.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.77555E-04 ppm1      7.280 ppm2      8.062 CV     1


 ASSI {  956}
   (( segid "    " and resid 30   and name HB3 ))
   (  segid "    " and resid 27   and name HD1%)
      4.400     2.400     1.600 peak   956 spectrum    1 weight  0.10000E+01 volume  0.48269E-03 ppm1      3.239 ppm2      1.162 CV     1
 OR {  956}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 12   and name HB  ))
 ASSI {  981}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      4.200     2.200     1.800 peak   981 spectrum    1 weight  0.10000E+01 volume  0.34841E-03 ppm1      3.868 ppm2      0.828 CV     1
 OR {  981}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 9    and name HG1%)
 ASSI { 1042}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 29   and name HG1%)
      5.100     3.200     0.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.44603E-03 ppm1      1.754 ppm2      0.680 CV     1
 OR { 1042}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 12   and name HD1%)
 ASSI { 1043}
   (( segid "    " and resid 11   and name HG3 ))
   (  segid "    " and resid 12   and name HD1%)
      3.900     1.900     1.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.10236E-02 ppm1      1.659 ppm2      0.680 CV     1
 OR { 1043}
   (( segid "    " and resid 28   and name HD3 ))
   (  segid "    " and resid 29   and name HG1%)
 OR { 1043}
   (( segid "    " and resid 28   and name HD2 ))
   (  segid "    " and resid 29   and name HG1%)
 ASSI { 1087}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.16745E-03 ppm1      8.183 ppm2      8.454 CV     1
 OR { 1087}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1093}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.53823E-03 ppm1      1.152 ppm2      7.389 CV     1
 OR { 1093}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 8    and name HZ  ))
 ASSI { 1096}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      5.900     4.300     0.100 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.13003E-03 ppm1      1.395 ppm2      7.284 CV     1
 OR { 1096}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 25   and name HE  ))
 ASSI { 1100}
   (( segid "    " and resid 20   and name HE3 ))
   (( segid "    " and resid 8    and name HZ  ))
      4.200     2.200     1.800 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.23845E-03 ppm1      2.946 ppm2      7.382 CV     1
 OR { 1100}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1104}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      5.200     3.400     0.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.21298E-03 ppm1      2.738 ppm2      7.226 CV     1
 OR { 1104}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 22   and name HD22))
 ASSI { 1111}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.000     2.000     2.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.69527E-03 ppm1      4.418 ppm2      1.396 CV     1
 OR { 1111}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 1114}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      4.700     2.700     1.300 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.38738E-03 ppm1      4.228 ppm2      1.168 CV     1
 OR { 1114}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI { 1115}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
      4.600     2.700     1.400 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.30481E-03 ppm1      3.878 ppm2      1.221 CV     1
 OR { 1115}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 31   and name HG2%)
 OR { 1115}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 1120}
   (( segid "    " and resid 4    and name HA1 ))
   (  segid "    " and resid 18   and name HG2%)
      5.000     3.100     1.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.30906E-03 ppm1      3.934 ppm2      1.444 CV     1
 OR { 1120}
   (( segid "    " and resid 4    and name HA2 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1120}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HD2 ))
 OR { 1120}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HD3 ))
 OR { 1120}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HD3 ))
 ASSI { 1126}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      3.500     1.600     1.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.19338E-02 ppm1      4.344 ppm2      1.159 CV     1
 OR { 1126}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI { 1132}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.700     1.700     1.700 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.11834E-02 ppm1      3.022 ppm2      2.848 CV     1
 OR { 1132}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR { 1132}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI { 1136}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 16   and name HB% )
      5.400     3.600     0.600 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.31562E-03 ppm1      3.406 ppm2      1.264 CV     1
 OR { 1136}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 16   and name HB% )
 ASSI { 1144}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 16   and name HB% )
      4.900     3.000     1.100 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.33568E-03 ppm1      1.969 ppm2      1.271 CV     1
 OR { 1144}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI { 1146}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      5.900     4.400     0.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.14199E-03 ppm1      4.520 ppm2      7.293 CV     1
 OR { 1146}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 17   and name HD% )
 OR { 1146}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 1149}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      5.200     3.300     0.800 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.32835E-03 ppm1      4.765 ppm2      7.221 CV     1
 OR { 1149}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 22   and name HD22))
 ASSI { 1151}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.400     1.600 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.12000E-03 ppm1      0.813 ppm2      8.393 CV     1
 OR { 1151}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 13   and name HN  ))




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -15.971  -4.261  11.026
    2   2H    GLY   1          2H        GLY   1 -16.991  -5.611  11.108
    3   3H    GLY   1          3H        GLY   1 -17.452  -4.253  10.207
    4   1HA   GLY   1          2HA       GLY   1 -16.593  -6.229   8.913
    5   2HA   GLY   1          1HA       GLY   1 -15.896  -4.655   8.539
    6    H    SER   2           H        SER   2 -13.890  -5.271   7.884
    7    HA   SER   2           HA       SER   2 -11.928  -5.811   9.833
    8   1HB   SER   2          2HB       SER   2 -12.911  -8.082   9.770
    9    HG   SER   2           HG       SER   2 -10.742  -8.954   8.627
   10    H    SER   3           H        SER   3 -12.811  -6.142   6.408
   11    HA   SER   3           HA       SER   3 -10.541  -4.552   5.587
   12   1HB   SER   3          2HB       SER   3  -9.561  -6.812   5.970
   13    HG   SER   3           HG       SER   3  -8.696  -7.144   3.873
   14    H    GLY   4           H        GLY   4 -10.609  -5.704   2.873
   15   1HA   GLY   4          1HA       GLY   4 -11.770  -5.494   0.904
   16   2HA   GLY   4          2HA       GLY   4 -13.194  -5.919   1.836
   17    H    LYS   5           H        LYS   5 -11.065  -3.029   1.757
   18    HA   LYS   5           HA       LYS   5 -13.307  -1.396   0.897
   19   1HB   LYS   5          2HB       LYS   5 -13.329  -1.673   3.443
   20   1HG   LYS   5          2HG       LYS   5 -13.108   1.088   2.281
   21   1HD   LYS   5          2HD       LYS   5 -12.708   1.044   4.713
   22   1HE   LYS   5          2HE       LYS   5 -15.441  -0.215   4.800
   23   1HZ   LYS   5          1HZ       LYS   5 -13.811   1.106   6.864
   24   2HZ   LYS   5          2HZ       LYS   5 -14.810  -0.199   7.288
   25   3HZ   LYS   5          3HZ       LYS   5 -15.483   1.195   6.597
   26    H    ARG   6           H        ARG   6 -12.611   0.790   0.363
   27    HA   ARG   6           HA       ARG   6 -10.307   0.613  -1.207
   28   1HB   ARG   6          2HB       ARG   6 -12.300   1.709  -1.975
   29   1HG   ARG   6          2HG       ARG   6 -11.483   3.826  -2.844
   30   1HD   ARG   6          2HD       ARG   6  -9.346   1.698  -2.821
   31    HE   ARG   6           HE       ARG   6  -9.304   4.209  -4.067
   32   1HH1  ARG   6          2HH1      ARG   6  -8.852   0.840  -4.890
   33   2HH1  ARG   6          1HH1      ARG   6  -7.736   1.171  -6.173
   34   1HH2  ARG   6          2HH2      ARG   6  -7.804   4.652  -5.729
   35   2HH2  ARG   6          1HH2      ARG   6  -7.116   3.333  -6.642
   36    HA   PRO   7           HA       PRO   7  -8.404   4.218   1.472
   37   1HB   PRO   7          2HB       PRO   7  -8.766   4.074   4.131
   38   1HG   PRO   7          2HG       PRO   7  -9.964   2.037   4.104
   39   1HD   PRO   7          2HD       PRO   7 -11.286   1.430   2.299
   40    H    PHE   8           H        PHE   8  -7.817   1.278   1.074
   41    HA   PHE   8           HA       PHE   8  -5.858   0.772   3.182
   42   1HB   PHE   8          2HB       PHE   8  -6.781  -0.929   0.862
   43    HD1  PHE   8           1HD      PHE   8  -6.959  -3.390   2.494
   44    HD2  PHE   8           2HD      PHE   8  -8.397   0.536   3.229
   45    HE1  PHE   8           1HE      PHE   8  -8.740  -4.317   3.898
   46    HE2  PHE   8           2HE      PHE   8 -10.183  -0.373   4.646
   47    HZ   PHE   8           HZ       PHE   8 -10.365  -2.793   4.984
   48    H    VAL   9           H        VAL   9  -5.045   2.925   1.914
   49    HA   VAL   9           HA       VAL   9  -3.532   2.372  -0.446
   50    HB   VAL   9           HB       VAL   9  -4.523   4.627   0.167
   51   1HG1  VAL   9          1HG1      VAL   9  -3.874   4.863   2.436
   52   2HG1  VAL   9          2HG1      VAL   9  -2.168   4.646   2.032
   53   3HG1  VAL   9          3HG1      VAL   9  -3.021   6.104   1.515
   54   1HG2  VAL   9          1HG2      VAL   9  -1.759   5.327  -0.355
   55   2HG2  VAL   9          2HG2      VAL   9  -2.311   3.970  -1.336
   56   3HG2  VAL   9          3HG2      VAL   9  -3.186   5.501  -1.377
   57    H    CYS  10           H        CYS  10  -1.347   2.118  -0.665
   58    HA   CYS  10           HA       CYS  10  -0.008   0.678   1.256
   59   1HB   CYS  10          2HB       CYS  10   0.604   0.576  -1.075
   60    H    ARG  11           H        ARG  11   1.361   1.075   2.793
   61    HA   ARG  11           HA       ARG  11   1.511   3.606   4.028
   62   1HB   ARG  11          2HB       ARG  11   3.119   2.482   5.554
   63   1HG   ARG  11          2HG       ARG  11   2.720   0.102   3.750
   64   1HD   ARG  11          2HD       ARG  11   2.564  -0.523   6.118
   65    HE   ARG  11           HE       ARG  11   4.651   1.313   6.549
   66   1HH1  ARG  11          2HH1      ARG  11   3.663  -1.916   7.517
   67   2HH1  ARG  11          1HH1      ARG  11   4.449  -1.822   9.066
   68   1HH2  ARG  11          2HH2      ARG  11   5.716   1.411   8.561
   69   2HH2  ARG  11          1HH2      ARG  11   5.605   0.075   9.666
   70    H    ILE  12           H        ILE  12   3.689   1.818   1.880
   71    HA   ILE  12           HA       ILE  12   5.778   3.791   2.281
   72    HB   ILE  12           HB       ILE  12   5.778   1.468   0.363
   73   1HG1  ILE  12          2HG1      ILE  12   5.507   0.667   2.654
   74   1HG2  ILE  12          1HG2      ILE  12   8.342   1.864   0.860
   75   2HG2  ILE  12          2HG2      ILE  12   7.497   2.780  -0.388
   76   3HG2  ILE  12          3HG2      ILE  12   7.784   3.503   1.195
   77   1HD1  ILE  12          1HD1      ILE  12   7.331   1.061   4.309
   78   2HD1  ILE  12          2HD1      ILE  12   7.876   2.394   3.289
   79   3HD1  ILE  12          3HD1      ILE  12   6.270   2.440   4.016
   80    H    CYS  13           H        CYS  13   3.965   2.591  -0.583
   81    HA   CYS  13           HA       CYS  13   4.660   5.121  -1.860
   82   1HB   CYS  13          2HB       CYS  13   3.931   4.194  -3.995
   83    H    LEU  14           H        LEU  14   1.999   4.189  -3.425
   84    HA   LEU  14           HA       LEU  14  -0.008   5.101  -1.570
   85   1HB   LEU  14          2HB       LEU  14   0.764   6.735  -3.982
   86    HG   LEU  14           HG       LEU  14   1.828   7.450  -1.859
   87   1HD1  LEU  14          1HD1      LEU  14  -0.089   9.621  -2.264
   88   2HD1  LEU  14          2HD1      LEU  14   1.661   9.594  -2.487
   89   3HD1  LEU  14          3HD1      LEU  14   0.600   8.987  -3.759
   90   1HD2  LEU  14          1HD2      LEU  14   0.619   7.188  -0.003
   91   2HD2  LEU  14          2HD2      LEU  14  -0.231   8.661  -0.473
   92   3HD2  LEU  14          3HD2      LEU  14  -0.892   7.082  -0.908
   93    H    SER  15           H        SER  15   0.511   2.708  -2.955
   94    HA   SER  15           HA       SER  15  -1.507   2.539  -5.045
   95   1HB   SER  15          2HB       SER  15   0.087   0.346  -3.682
   96    HG   SER  15           HG       SER  15   1.519   1.622  -4.800
   97    H    ALA  16           H        ALA  16  -3.610   2.256  -4.547
   98    HA   ALA  16           HA       ALA  16  -4.324   1.537  -1.819
   99   1HB   ALA  16          1HB       ALA  16  -5.383   3.366  -3.514
  100   2HB   ALA  16          2HB       ALA  16  -6.490   2.013  -3.744
  101   3HB   ALA  16          3HB       ALA  16  -6.230   2.678  -2.130
  102    H    PHE  17           H        PHE  17  -5.264  -0.375  -1.237
  103    HA   PHE  17           HA       PHE  17  -5.876  -2.275  -3.405
  104   1HB   PHE  17          2HB       PHE  17  -4.569  -2.944  -0.756
  105    HD1  PHE  17           1HD      PHE  17  -2.847  -1.159  -1.576
  106    HD2  PHE  17           2HD      PHE  17  -3.565  -4.874  -3.517
  107    HE1  PHE  17           1HE      PHE  17  -0.655  -1.005  -2.676
  108    HE2  PHE  17           2HE      PHE  17  -1.370  -4.726  -4.619
  109    HZ   PHE  17           HZ       PHE  17   0.088  -2.787  -4.197
  110    H    THR  18           H        THR  18  -7.554  -3.758  -3.010
  111    HA   THR  18           HA       THR  18  -9.723  -2.720  -1.548
  112    HB   THR  18           HB       THR  18 -10.769  -4.972  -2.013
  113    HG1  THR  18           1HG      THR  18  -9.481  -6.212  -3.621
  114   1HG2  THR  18          1HG2      THR  18 -10.620  -2.859  -3.581
  115   2HG2  THR  18          2HG2      THR  18 -11.283  -4.379  -4.182
  116   3HG2  THR  18          3HG2      THR  18  -9.621  -3.930  -4.563
  117    H    THR  19           H        THR  19  -7.547  -5.461  -0.884
  118    HA   THR  19           HA       THR  19  -8.648  -5.519   1.839
  119    HB   THR  19           HB       THR  19  -8.081  -7.891   1.956
  120    HG1  THR  19           1HG      THR  19  -7.407  -8.958   0.016
  121   1HG2  THR  19          1HG2      THR  19 -10.200  -8.066   1.275
  122   2HG2  THR  19          2HG2      THR  19  -9.549  -8.407  -0.328
  123   3HG2  THR  19          3HG2      THR  19 -10.011  -6.761   0.104
  124    H    LYS  20           H        LYS  20  -7.282  -5.833   3.563
  125    HA   LYS  20           HA       LYS  20  -4.786  -4.602   3.544
  126   1HB   LYS  20          2HB       LYS  20  -5.911  -6.667   5.443
  127   1HG   LYS  20          2HG       LYS  20  -5.662  -3.703   5.638
  128   1HD   LYS  20          2HD       LYS  20  -6.831  -5.696   7.572
  129   1HE   LYS  20          2HE       LYS  20  -6.655  -2.688   7.707
  130   1HZ   LYS  20          1HZ       LYS  20  -6.909  -2.861   9.878
  131   2HZ   LYS  20          2HZ       LYS  20  -6.743  -4.547   9.774
  132   3HZ   LYS  20          3HZ       LYS  20  -8.282  -3.841   9.686
  133    H    ALA  21           H        ALA  21  -5.711  -7.941   3.117
  134    HA   ALA  21           HA       ALA  21  -3.236  -9.097   3.408
  135   1HB   ALA  21          1HB       ALA  21  -4.169 -10.956   1.985
  136   2HB   ALA  21          2HB       ALA  21  -5.156 -10.496   3.373
  137   3HB   ALA  21          3HB       ALA  21  -5.601  -9.953   1.755
  138    H    ASN  22           H        ASN  22  -4.705  -7.609   0.547
  139    HA   ASN  22           HA       ASN  22  -2.658  -8.372  -1.280
  140   1HB   ASN  22          2HB       ASN  22  -4.577  -6.045  -1.347
  141   1HD2  ASN  22          1HD2      ASN  22  -6.512  -6.624  -1.977
  142   2HD2  ASN  22          2HD2      ASN  22  -6.921  -8.066  -2.841
  143    H    CYS  23           H        CYS  23  -3.084  -5.542   0.787
  144    HA   CYS  23           HA       CYS  23  -0.846  -4.114  -0.131
  145   1HB   CYS  23          2HB       CYS  23  -2.650  -3.120   1.236
  146    HG   CYS  23           HG       CYS  23  -1.027  -1.142   1.513
  147    H    ALA  24           H        ALA  24  -1.210  -6.555   2.392
  148    HA   ALA  24           HA       ALA  24   1.311  -6.347   3.572
  149   1HB   ALA  24          1HB       ALA  24  -0.139  -7.638   4.791
  150   2HB   ALA  24          2HB       ALA  24  -0.723  -8.513   3.376
  151   3HB   ALA  24          3HB       ALA  24   0.866  -8.882   4.047
  152    H    ARG  25           H        ARG  25   0.270  -8.536   0.930
  153    HA   ARG  25           HA       ARG  25   2.856  -9.647   0.578
  154   1HB   ARG  25          2HB       ARG  25   2.026 -10.556  -1.535
  155   1HG   ARG  25          2HG       ARG  25  -0.548  -9.088  -1.013
  156   1HD   ARG  25          2HD       ARG  25   0.371 -10.843  -3.283
  157    HE   ARG  25           HE       ARG  25  -1.785  -9.020  -3.221
  158   1HH1  ARG  25          2HH1      ARG  25  -0.875 -12.244  -4.221
  159   2HH1  ARG  25          1HH1      ARG  25  -2.182 -12.414  -5.359
  160   1HH2  ARG  25          2HH2      ARG  25  -3.539  -9.242  -4.718
  161   2HH2  ARG  25          1HH2      ARG  25  -3.689 -10.706  -5.646
  162    H    HIS  26           H        HIS  26   1.222  -6.896  -0.812
  163    HA   HIS  26           HA       HIS  26   2.956  -6.237  -2.904
  164   1HB   HIS  26          2HB       HIS  26   0.888  -5.091  -2.767
  165    HD1  HIS  26           1HD      HIS  26   2.502  -3.739  -4.607
  166    HD2  HIS  26           2HD      HIS  26   2.351  -2.260  -0.714
  167    HE1  HIS  26           1HE      HIS  26   3.494  -1.395  -4.668
  168    H    LEU  27           H        LEU  27   3.053  -5.454   0.527
  169    HA   LEU  27           HA       LEU  27   4.801  -3.424   0.635
  170   1HB   LEU  27          2HB       LEU  27   3.637  -4.385   2.566
  171    HG   LEU  27           HG       LEU  27   6.608  -4.202   3.055
  172   1HD1  LEU  27          1HD1      LEU  27   6.272  -2.080   2.423
  173   2HD1  LEU  27          2HD1      LEU  27   4.518  -2.228   2.533
  174   3HD1  LEU  27          3HD1      LEU  27   5.469  -1.907   3.985
  175   1HD2  LEU  27          1HD2      LEU  27   6.136  -4.812   5.139
  176   2HD2  LEU  27          2HD2      LEU  27   5.158  -3.352   5.289
  177   3HD2  LEU  27          3HD2      LEU  27   4.409  -4.867   4.783
  178    H    LYS  28           H        LYS  28   5.742  -6.806   0.271
  179    HA   LYS  28           HA       LYS  28   8.417  -6.663   0.868
  180   1HB   LYS  28          2HB       LYS  28   8.750  -8.648  -0.483
  181   1HG   LYS  28          2HG       LYS  28   6.007  -8.173  -1.619
  182   1HD   LYS  28          2HD       LYS  28   8.022 -10.375  -2.065
  183   1HE   LYS  28          2HE       LYS  28   6.345 -11.352  -3.542
  184   1HZ   LYS  28          1HZ       LYS  28   7.787 -10.197  -4.863
  185   2HZ   LYS  28          2HZ       LYS  28   7.437  -8.705  -4.149
  186   3HZ   LYS  28          3HZ       LYS  28   6.344  -9.387  -5.247
  187    H    VAL  29           H        VAL  29   6.846  -5.580  -2.092
  188    HA   VAL  29           HA       VAL  29   9.020  -5.545  -3.802
  189    HB   VAL  29           HB       VAL  29   7.919  -3.887  -5.146
  190   1HG1  VAL  29          1HG1      VAL  29   5.588  -4.883  -5.242
  191   2HG1  VAL  29          2HG1      VAL  29   6.949  -5.992  -5.428
  192   3HG1  VAL  29          3HG1      VAL  29   6.091  -5.900  -3.890
  193   1HG2  VAL  29          1HG2      VAL  29   5.585  -3.113  -4.027
  194   2HG2  VAL  29          2HG2      VAL  29   6.641  -3.118  -2.615
  195   3HG2  VAL  29          3HG2      VAL  29   7.060  -2.145  -4.025
  196    H    HIS  30           H        HIS  30   8.159  -3.236  -1.314
  197    HA   HIS  30           HA       HIS  30  10.023  -1.248  -2.165
  198   1HB   HIS  30          2HB       HIS  30   8.470  -1.578   0.404
  199    HD1  HIS  30           1HD      HIS  30   8.631   0.865  -2.554
  200    HD2  HIS  30           2HD      HIS  30   5.893  -1.185  -0.168
  201    HE1  HIS  30           1HE      HIS  30   6.313   1.580  -3.310
  202    H    THR  31           H        THR  31  11.394  -3.631  -1.902
  203    HA   THR  31           HA       THR  31  13.687  -2.807  -0.689
  204    HB   THR  31           HB       THR  31  12.597  -3.001   1.492
  205    HG1  THR  31           1HG      THR  31  14.905  -4.005   0.836
  206   1HG2  THR  31          1HG2      THR  31  10.971  -4.762   0.998
  207   2HG2  THR  31          2HG2      THR  31  11.944  -5.176   2.411
  208   3HG2  THR  31          3HG2      THR  31  12.279  -5.937   0.856
  209    H    ASP  32           H        ASP  32  11.735  -5.739  -1.185
  210    HA   ASP  32           HA       ASP  32  13.989  -7.385  -1.800
  211   1HB   ASP  32          2HB       ASP  32  11.947  -8.398  -0.982
  212    H    THR  33           H        THR  33  11.298  -6.391  -3.898
  213    HA   THR  33           HA       THR  33  13.005  -5.429  -5.971
  214    HB   THR  33           HB       THR  33  11.478  -8.006  -6.489
  215    HG1  THR  33           1HG      THR  33  13.865  -7.754  -5.505
  216   1HG2  THR  33          1HG2      THR  33  13.110  -6.270  -8.339
  217   2HG2  THR  33          2HG2      THR  33  11.369  -6.538  -8.407
  218   3HG2  THR  33          3HG2      THR  33  12.478  -7.866  -8.743
  219    H    LEU  34           H        LEU  34  11.827  -4.018  -7.248
  220    HA   LEU  34           HA       LEU  34   9.143  -3.475  -6.437
  221   1HB   LEU  34          2HB       LEU  34  10.832  -2.289  -8.638
  222    HG   LEU  34           HG       LEU  34  11.700  -1.708  -6.413
  223   1HD1  LEU  34          1HD1      LEU  34  12.143   0.370  -7.105
  224   2HD1  LEU  34          2HD1      LEU  34  11.098   0.001  -8.478
  225   3HD1  LEU  34          3HD1      LEU  34  10.442   0.835  -7.070
  226   1HD2  LEU  34          1HD2      LEU  34   9.723   0.013  -5.421
  227   2HD2  LEU  34          2HD2      LEU  34   8.903  -1.501  -5.800
  228   3HD2  LEU  34          3HD2      LEU  34  10.289  -1.500  -4.710
  229    H    SER  35           H        SER  35   7.341  -4.040  -7.360
  230    HA   SER  35           HA       SER  35   7.113  -4.903 -10.079
  231   1HB   SER  35          2HB       SER  35   8.040  -6.950  -9.059
  232    HG   SER  35           HG       SER  35   5.431  -6.853 -10.010
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -17.021  -5.920   8.556
    2   2H    GLY   1          2H        GLY   1 -18.441  -5.059   8.212
    3   3H    GLY   1          3H        GLY   1 -17.006  -4.223   8.542
    4   1HA   GLY   1          2HA       GLY   1 -17.299  -6.059   6.235
    5   2HA   GLY   1          1HA       GLY   1 -17.646  -4.338   6.132
    6    H    SER   2           H        SER   2 -15.077  -6.137   7.819
    7    HA   SER   2           HA       SER   2 -13.098  -4.235   7.199
    8   1HB   SER   2          2HB       SER   2 -12.785  -7.107   8.105
    9    HG   SER   2           HG       SER   2 -12.586  -6.084  10.176
   10    H    SER   3           H        SER   3 -13.903  -7.355   5.706
   11    HA   SER   3           HA       SER   3 -11.693  -7.392   3.944
   12   1HB   SER   3          2HB       SER   3 -12.972  -9.137   2.735
   13    HG   SER   3           HG       SER   3 -15.062  -8.581   2.827
   14    H    GLY   4           H        GLY   4 -11.322  -6.316   2.137
   15   1HA   GLY   4          1HA       GLY   4 -11.621  -5.017   0.269
   16   2HA   GLY   4          2HA       GLY   4 -13.323  -5.449   0.295
   17    H    LYS   5           H        LYS   5 -11.163  -2.979   0.597
   18    HA   LYS   5           HA       LYS   5 -13.070  -0.997   1.338
   19   1HB   LYS   5          2HB       LYS   5 -12.611  -2.165   3.518
   20   1HG   LYS   5          2HG       LYS   5 -12.022  -0.295   4.929
   21   1HD   LYS   5          2HD       LYS   5 -13.815   0.565   2.664
   22   1HE   LYS   5          2HE       LYS   5 -13.639   1.415   5.553
   23   1HZ   LYS   5          1HZ       LYS   5 -15.936   1.328   4.857
   24   2HZ   LYS   5          2HZ       LYS   5 -15.584   2.232   3.463
   25   3HZ   LYS   5          3HZ       LYS   5 -15.431   2.943   4.994
   26    H    ARG   6           H        ARG   6 -12.323   0.920   0.525
   27    HA   ARG   6           HA       ARG   6 -10.049   0.773  -1.119
   28   1HB   ARG   6          2HB       ARG   6 -11.892   3.072  -0.553
   29   1HG   ARG   6          2HG       ARG   6 -12.946   1.231  -1.758
   30   1HD   ARG   6          2HD       ARG   6 -10.707   1.669  -3.734
   31    HE   ARG   6           HE       ARG   6 -12.150   0.857  -5.268
   32   1HH1  ARG   6          2HH1      ARG   6 -13.106  -0.493  -2.171
   33   2HH1  ARG   6          1HH1      ARG   6 -14.411  -1.416  -2.845
   34   1HH2  ARG   6          2HH2      ARG   6 -13.897  -0.338  -6.130
   35   2HH2  ARG   6          1HH2      ARG   6 -14.863  -1.322  -5.073
   36    HA   PRO   7           HA       PRO   7  -8.274   4.404   1.737
   37   1HB   PRO   7          2HB       PRO   7  -8.511   3.758   4.376
   38   1HG   PRO   7          2HG       PRO   7  -9.839   1.831   3.965
   39   1HD   PRO   7          2HD       PRO   7 -11.348   1.783   2.115
   40    H    PHE   8           H        PHE   8  -7.871   1.125   1.539
   41    HA   PHE   8           HA       PHE   8  -5.614   0.809   3.300
   42   1HB   PHE   8          2HB       PHE   8  -6.694  -0.955   1.100
   43    HD1  PHE   8           1HD      PHE   8  -6.702  -3.395   2.707
   44    HD2  PHE   8           2HD      PHE   8  -8.073   0.513   3.644
   45    HE1  PHE   8           1HE      PHE   8  -8.312  -4.353   4.280
   46    HE2  PHE   8           2HE      PHE   8  -9.687  -0.423   5.230
   47    HZ   PHE   8           HZ       PHE   8  -9.823  -2.849   5.556
   48    H    VAL   9           H        VAL   9  -5.037   2.968   1.838
   49    HA   VAL   9           HA       VAL   9  -3.567   2.292  -0.535
   50    HB   VAL   9           HB       VAL   9  -4.658   4.539  -0.170
   51   1HG1  VAL   9          1HG1      VAL   9  -4.256   5.527   1.783
   52   2HG1  VAL   9          2HG1      VAL   9  -2.824   4.539   2.079
   53   3HG1  VAL   9          3HG1      VAL   9  -2.701   5.993   1.090
   54   1HG2  VAL   9          1HG2      VAL   9  -2.125   3.927  -1.334
   55   2HG2  VAL   9          2HG2      VAL   9  -3.344   5.084  -1.865
   56   3HG2  VAL   9          3HG2      VAL   9  -2.103   5.577  -0.712
   57    H    CYS  10           H        CYS  10  -1.388   2.039  -0.734
   58    HA   CYS  10           HA       CYS  10  -0.025   0.914   1.385
   59   1HB   CYS  10          2HB       CYS  10   0.554   0.465  -0.918
   60    H    ARG  11           H        ARG  11   1.215   1.621   2.914
   61    HA   ARG  11           HA       ARG  11   1.277   4.343   3.633
   62   1HB   ARG  11          2HB       ARG  11   2.736   3.538   5.481
   63   1HG   ARG  11          2HG       ARG  11   2.460   0.878   4.096
   64   1HD   ARG  11          2HD       ARG  11   3.594  -0.049   6.060
   65    HE   ARG  11           HE       ARG  11   1.393   1.008   7.484
   66   1HH1  ARG  11          2HH1      ARG  11   2.156  -0.995   4.710
   67   2HH1  ARG  11          1HH1      ARG  11   0.588  -1.728   4.652
   68   1HH2  ARG  11          2HH2      ARG  11  -0.651   0.024   7.425
   69   2HH2  ARG  11          1HH2      ARG  11  -1.010  -1.166   6.205
   70    H    ILE  12           H        ILE  12   3.595   2.190   2.080
   71    HA   ILE  12           HA       ILE  12   5.743   4.081   2.322
   72    HB   ILE  12           HB       ILE  12   5.643   1.604   0.597
   73   1HG1  ILE  12          2HG1      ILE  12   5.253   1.030   2.944
   74   1HG2  ILE  12          1HG2      ILE  12   7.490   2.640  -0.209
   75   2HG2  ILE  12          2HG2      ILE  12   7.722   3.605   1.249
   76   3HG2  ILE  12          3HG2      ILE  12   8.227   1.915   1.222
   77   1HD1  ILE  12          1HD1      ILE  12   6.237   2.989   4.029
   78   2HD1  ILE  12          2HD1      ILE  12   6.866   1.476   4.678
   79   3HD1  ILE  12          3HD1      ILE  12   7.842   2.427   3.560
   80    H    CYS  13           H        CYS  13   3.842   2.822  -0.456
   81    HA   CYS  13           HA       CYS  13   4.709   5.229  -1.886
   82   1HB   CYS  13          2HB       CYS  13   4.102   4.174  -3.990
   83    H    LEU  14           H        LEU  14   2.063   4.078  -3.438
   84    HA   LEU  14           HA       LEU  14   0.004   5.172  -1.760
   85   1HB   LEU  14          2HB       LEU  14   0.863   6.629  -4.251
   86    HG   LEU  14           HG       LEU  14   1.791   7.541  -2.147
   87   1HD1  LEU  14          1HD1      LEU  14   1.583   9.198  -3.741
   88   2HD1  LEU  14          2HD1      LEU  14  -0.176   9.074  -3.792
   89   3HD1  LEU  14          3HD1      LEU  14   0.613   9.856  -2.423
   90   1HD2  LEU  14          1HD2      LEU  14  -0.681   6.868  -1.093
   91   2HD2  LEU  14          2HD2      LEU  14   0.578   7.812  -0.294
   92   3HD2  LEU  14          3HD2      LEU  14  -0.717   8.631  -1.172
   93    H    SER  15           H        SER  15   0.541   2.663  -2.962
   94    HA   SER  15           HA       SER  15  -1.452   2.393  -5.077
   95   1HB   SER  15          2HB       SER  15   0.140   0.261  -3.618
   96    HG   SER  15           HG       SER  15   1.592   1.514  -4.745
   97    H    ALA  16           H        ALA  16  -3.574   2.204  -4.524
   98    HA   ALA  16           HA       ALA  16  -4.223   1.457  -1.769
   99   1HB   ALA  16          1HB       ALA  16  -5.304   3.360  -3.408
  100   2HB   ALA  16          2HB       ALA  16  -6.478   2.049  -3.533
  101   3HB   ALA  16          3HB       ALA  16  -6.066   2.714  -1.951
  102    H    PHE  17           H        PHE  17  -5.195  -0.425  -1.190
  103    HA   PHE  17           HA       PHE  17  -6.081  -2.226  -3.352
  104   1HB   PHE  17          2HB       PHE  17  -4.604  -3.117  -0.857
  105    HD1  PHE  17           1HD      PHE  17  -2.888  -1.266  -1.631
  106    HD2  PHE  17           2HD      PHE  17  -3.736  -4.857  -3.760
  107    HE1  PHE  17           1HE      PHE  17  -0.717  -1.103  -2.774
  108    HE2  PHE  17           2HE      PHE  17  -1.565  -4.692  -4.903
  109    HZ   PHE  17           HZ       PHE  17  -0.050  -2.815  -4.411
  110    H    THR  18           H        THR  18  -7.782  -3.650  -2.794
  111    HA   THR  18           HA       THR  18  -9.681  -2.535  -1.030
  112    HB   THR  18           HB       THR  18 -10.950  -4.673  -1.434
  113    HG1  THR  18           1HG      THR  18  -8.962  -5.249  -3.373
  114   1HG2  THR  18          1HG2      THR  18 -10.647  -2.494  -3.002
  115   2HG2  THR  18          2HG2      THR  18 -11.741  -3.826  -3.375
  116   3HG2  THR  18          3HG2      THR  18 -10.142  -3.761  -4.121
  117    H    THR  19           H        THR  19  -7.622  -5.424  -0.726
  118    HA   THR  19           HA       THR  19  -8.488  -5.584   2.074
  119    HB   THR  19           HB       THR  19  -7.805  -7.949   2.022
  120    HG1  THR  19           1HG      THR  19  -7.522  -8.723  -0.306
  121   1HG2  THR  19          1HG2      THR  19  -9.659  -7.352  -0.282
  122   2HG2  THR  19          2HG2      THR  19 -10.130  -7.215   1.412
  123   3HG2  THR  19          3HG2      THR  19  -9.651  -8.779   0.752
  124    H    LYS  20           H        LYS  20  -7.013  -5.939   3.690
  125    HA   LYS  20           HA       LYS  20  -4.481  -4.736   3.582
  126   1HB   LYS  20          2HB       LYS  20  -5.594  -6.831   5.452
  127   1HG   LYS  20          2HG       LYS  20  -5.193  -3.905   5.805
  128   1HD   LYS  20          2HD       LYS  20  -6.425  -5.962   7.625
  129   1HE   LYS  20          2HE       LYS  20  -6.591  -4.121   9.244
  130   1HZ   LYS  20          1HZ       LYS  20  -8.105  -2.759   7.347
  131   2HZ   LYS  20          2HZ       LYS  20  -8.645  -3.871   8.507
  132   3HZ   LYS  20          3HZ       LYS  20  -8.203  -4.408   6.960
  133    H    ALA  21           H        ALA  21  -5.586  -8.006   3.122
  134    HA   ALA  21           HA       ALA  21  -3.191  -9.327   3.240
  135   1HB   ALA  21          1HB       ALA  21  -4.753 -10.922   3.101
  136   2HB   ALA  21          2HB       ALA  21  -5.858  -9.883   2.199
  137   3HB   ALA  21          3HB       ALA  21  -4.582 -10.763   1.352
  138    H    ASN  22           H        ASN  22  -4.696  -7.686   0.472
  139    HA   ASN  22           HA       ASN  22  -2.683  -8.457  -1.411
  140   1HB   ASN  22          2HB       ASN  22  -4.653  -6.173  -1.447
  141   1HD2  ASN  22          1HD2      ASN  22  -6.590  -6.817  -2.052
  142   2HD2  ASN  22          2HD2      ASN  22  -6.959  -8.265  -2.923
  143    H    CYS  23           H        CYS  23  -3.086  -5.672   0.721
  144    HA   CYS  23           HA       CYS  23  -0.868  -4.199  -0.203
  145   1HB   CYS  23          2HB       CYS  23  -2.640  -3.235   1.220
  146    HG   CYS  23           HG       CYS  23  -0.756  -1.396   1.335
  147    H    ALA  24           H        ALA  24  -1.208  -6.702   2.267
  148    HA   ALA  24           HA       ALA  24   1.355  -6.547   3.381
  149   1HB   ALA  24          1HB       ALA  24   0.820  -9.122   3.772
  150   2HB   ALA  24          2HB       ALA  24   0.010  -7.839   4.674
  151   3HB   ALA  24          3HB       ALA  24  -0.791  -8.585   3.291
  152    H    ARG  25           H        ARG  25   0.177  -8.560   0.669
  153    HA   ARG  25           HA       ARG  25   2.710  -9.782   0.244
  154   1HB   ARG  25          2HB       ARG  25   1.824 -10.639  -1.843
  155   1HG   ARG  25          2HG       ARG  25  -0.664  -9.013  -1.402
  156   1HD   ARG  25          2HD       ARG  25   0.230 -10.881  -3.591
  157    HE   ARG  25           HE       ARG  25  -1.728  -8.864  -3.748
  158   1HH1  ARG  25          2HH1      ARG  25  -1.235 -12.257  -4.484
  159   2HH1  ARG  25          1HH1      ARG  25  -2.418 -12.280  -5.760
  160   1HH2  ARG  25          2HH2      ARG  25  -3.294  -8.911  -5.468
  161   2HH2  ARG  25          1HH2      ARG  25  -3.570 -10.411  -6.302
  162    H    HIS  26           H        HIS  26   1.148  -6.916  -0.967
  163    HA   HIS  26           HA       HIS  26   2.894  -6.181  -3.036
  164   1HB   HIS  26          2HB       HIS  26   0.841  -5.010  -2.803
  165    HD1  HIS  26           1HD      HIS  26   2.477  -3.644  -4.602
  166    HD2  HIS  26           2HD      HIS  26   2.331  -2.278  -0.671
  167    HE1  HIS  26           1HE      HIS  26   3.500  -1.317  -4.593
  168    H    LEU  27           H        LEU  27   2.993  -5.583   0.428
  169    HA   LEU  27           HA       LEU  27   4.785  -3.601   0.647
  170   1HB   LEU  27          2HB       LEU  27   3.548  -4.626   2.509
  171    HG   LEU  27           HG       LEU  27   6.510  -4.446   3.067
  172   1HD1  LEU  27          1HD1      LEU  27   4.711  -2.290   3.904
  173   2HD1  LEU  27          2HD1      LEU  27   6.306  -2.215   3.158
  174   3HD1  LEU  27          3HD1      LEU  27   4.879  -2.471   2.157
  175   1HD2  LEU  27          1HD2      LEU  27   4.846  -5.628   4.725
  176   2HD2  LEU  27          2HD2      LEU  27   6.068  -4.503   5.315
  177   3HD2  LEU  27          3HD2      LEU  27   4.400  -3.966   5.110
  178    H    LYS  28           H        LYS  28   5.668  -6.981   0.108
  179    HA   LYS  28           HA       LYS  28   8.328  -6.928   0.797
  180   1HB   LYS  28          2HB       LYS  28   8.680  -8.792  -0.753
  181   1HG   LYS  28          2HG       LYS  28   5.889  -8.246  -1.730
  182   1HD   LYS  28          2HD       LYS  28   6.493 -10.662  -1.465
  183   1HE   LYS  28          2HE       LYS  28   7.972 -11.629  -3.196
  184   1HZ   LYS  28          1HZ       LYS  28  10.064 -10.244  -2.061
  185   2HZ   LYS  28          2HZ       LYS  28   9.425 -11.732  -1.559
  186   3HZ   LYS  28          3HZ       LYS  28   8.861 -10.296  -0.864
  187    H    VAL  29           H        VAL  29   6.903  -5.612  -2.138
  188    HA   VAL  29           HA       VAL  29   9.200  -5.412  -3.682
  189    HB   VAL  29           HB       VAL  29   8.144  -3.609  -4.914
  190   1HG1  VAL  29          1HG1      VAL  29   5.686  -5.005  -4.621
  191   2HG1  VAL  29          2HG1      VAL  29   6.901  -5.150  -5.891
  192   3HG1  VAL  29          3HG1      VAL  29   7.013  -6.152  -4.444
  193   1HG2  VAL  29          1HG2      VAL  29   6.844  -2.103  -3.941
  194   2HG2  VAL  29          2HG2      VAL  29   5.635  -3.349  -3.621
  195   3HG2  VAL  29          3HG2      VAL  29   6.896  -3.017  -2.432
  196    H    HIS  30           H        HIS  30   8.072  -3.299  -1.086
  197    HA   HIS  30           HA       HIS  30  10.177  -1.364  -1.517
  198   1HB   HIS  30          2HB       HIS  30   8.261  -1.672   0.800
  199    HD1  HIS  30           1HD      HIS  30   8.722   0.739  -2.169
  200    HD2  HIS  30           2HD      HIS  30   5.783  -1.181   0.070
  201    HE1  HIS  30           1HE      HIS  30   6.476   1.544  -3.060
  202    H    THR  31           H        THR  31  10.889  -4.214  -0.852
  203    HA   THR  31           HA       THR  31  13.103  -3.700   0.805
  204    HB   THR  31           HB       THR  31  11.464  -3.571   2.624
  205    HG1  THR  31           1HG      THR  31  13.117  -5.885   2.598
  206   1HG2  THR  31          1HG2      THR  31  10.341  -5.828   3.243
  207   2HG2  THR  31          2HG2      THR  31  10.568  -6.213   1.537
  208   3HG2  THR  31          3HG2      THR  31   9.607  -4.810   2.004
  209    H    ASP  32           H        ASP  32  12.329  -4.979  -1.644
  210    HA   ASP  32           HA       ASP  32  14.046  -7.176  -1.672
  211   1HB   ASP  32          2HB       ASP  32  12.299  -8.368  -0.436
  212    H    THR  33           H        THR  33  14.683  -7.379  -3.748
  213    HA   THR  33           HA       THR  33  13.409  -5.739  -5.708
  214    HB   THR  33           HB       THR  33  15.236  -6.640  -7.217
  215    HG1  THR  33           1HG      THR  33  15.688  -8.592  -6.166
  216   1HG2  THR  33          1HG2      THR  33  15.323  -4.762  -5.132
  217   2HG2  THR  33          2HG2      THR  33  16.382  -4.850  -6.541
  218   3HG2  THR  33          3HG2      THR  33  16.839  -5.659  -5.040
  219    H    LEU  34           H        LEU  34  12.095  -6.313  -7.336
  220    HA   LEU  34           HA       LEU  34  11.003  -8.955  -7.331
  221   1HB   LEU  34          2HB       LEU  34  10.494  -6.595  -9.151
  222    HG   LEU  34           HG       LEU  34   9.674  -6.176  -6.866
  223   1HD1  LEU  34          1HD1      LEU  34   7.796  -5.215  -7.643
  224   2HD1  LEU  34          2HD1      LEU  34   8.345  -5.825  -9.204
  225   3HD1  LEU  34          3HD1      LEU  34   7.155  -6.732  -8.271
  226   1HD2  LEU  34          1HD2      LEU  34   9.396  -8.478  -6.138
  227   2HD2  LEU  34          2HD2      LEU  34   7.884  -7.591  -5.957
  228   3HD2  LEU  34          3HD2      LEU  34   8.096  -8.712  -7.303
  229    H    SER  35           H        SER  35  11.535 -10.568  -8.561
  230    HA   SER  35           HA       SER  35  12.683 -10.302 -11.171
  231   1HB   SER  35          2HB       SER  35  14.357 -11.540  -8.958
  232    HG   SER  35           HG       SER  35  14.255  -9.024  -9.925
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -13.860 -12.165   3.246
    2   2H    GLY   1          2H        GLY   1 -14.673 -11.060   2.243
    3   3H    GLY   1          3H        GLY   1 -12.982 -11.041   2.325
    4   1HA   GLY   1          2HA       GLY   1 -13.705 -13.623   1.619
    5   2HA   GLY   1          1HA       GLY   1 -14.647 -12.531   0.617
    6    H    SER   2           H        SER   2 -13.650 -12.652  -1.297
    7    HA   SER   2           HA       SER   2 -10.867 -12.878  -1.715
    8   1HB   SER   2          2HB       SER   2 -11.452 -12.211  -4.063
    9    HG   SER   2           HG       SER   2 -13.581 -11.767  -4.549
   10    H    SER   3           H        SER   3 -13.068 -10.123  -1.781
   11    HA   SER   3           HA       SER   3 -11.077  -8.316  -0.849
   12   1HB   SER   3          2HB       SER   3 -12.068  -7.976  -3.695
   13    HG   SER   3           HG       SER   3  -9.956  -9.224  -2.810
   14    H    GLY   4           H        GLY   4 -12.121  -6.925   0.400
   15   1HA   GLY   4          1HA       GLY   4 -15.010  -6.668   0.231
   16   2HA   GLY   4          2HA       GLY   4 -13.962  -5.935   1.439
   17    H    LYS   5           H        LYS   5 -14.268  -3.845   1.378
   18    HA   LYS   5           HA       LYS   5 -14.745  -2.335  -1.033
   19   1HB   LYS   5          2HB       LYS   5 -14.612  -0.368   0.459
   20   1HG   LYS   5          2HG       LYS   5 -14.142  -2.374   2.651
   21   1HD   LYS   5          2HD       LYS   5 -14.085  -0.371   4.116
   22   1HE   LYS   5          2HE       LYS   5 -16.136  -1.778   3.938
   23   1HZ   LYS   5          1HZ       LYS   5 -16.838   0.234   1.903
   24   2HZ   LYS   5          2HZ       LYS   5 -18.047  -0.498   2.839
   25   3HZ   LYS   5          3HZ       LYS   5 -17.048  -1.454   1.859
   26    H    ARG   6           H        ARG   6 -12.889  -0.186  -0.064
   27    HA   ARG   6           HA       ARG   6 -10.267  -1.286  -0.539
   28   1HB   ARG   6          2HB       ARG   6 -11.296  -1.201  -2.802
   29   1HG   ARG   6          2HG       ARG   6  -9.090   0.824  -2.541
   30   1HD   ARG   6          2HD       ARG   6  -9.952  -1.030  -4.751
   31    HE   ARG   6           HE       ARG   6  -7.386   0.034  -4.348
   32   1HH1  ARG   6          2HH1      ARG   6  -9.839  -0.248  -6.824
   33   2HH1  ARG   6          1HH1      ARG   6  -8.695  -0.183  -8.136
   34   1HH2  ARG   6          2HH2      ARG   6  -5.880   0.109  -6.078
   35   2HH2  ARG   6          1HH2      ARG   6  -6.463   0.012  -7.713
   36    HA   PRO   7           HA       PRO   7 -10.311   2.777   1.693
   37   1HB   PRO   7          2HB       PRO   7  -9.604   1.509   4.126
   38   1HG   PRO   7          2HG       PRO   7 -10.706  -0.482   4.143
   39   1HD   PRO   7          2HD       PRO   7  -9.571  -0.988   2.196
   40    H    PHE   8           H        PHE   8  -8.187   0.037   1.900
   41    HA   PHE   8           HA       PHE   8  -6.108   1.322   3.262
   42   1HB   PHE   8          2HB       PHE   8  -5.917  -1.212   1.630
   43    HD1  PHE   8           1HD      PHE   8  -6.803   0.074   5.025
   44    HD2  PHE   8           2HD      PHE   8  -7.166  -3.043   2.157
   45    HE1  PHE   8           1HE      PHE   8  -8.409  -1.078   6.487
   46    HE2  PHE   8           2HE      PHE   8  -8.763  -4.210   3.612
   47    HZ   PHE   8           HZ       PHE   8  -9.392  -3.226   5.783
   48    H    VAL   9           H        VAL   9  -4.303   2.322   2.606
   49    HA   VAL   9           HA       VAL   9  -3.541   2.153  -0.212
   50    HB   VAL   9           HB       VAL   9  -4.729   4.321   0.373
   51   1HG1  VAL   9          1HG1      VAL   9  -2.165   5.186   1.630
   52   2HG1  VAL   9          2HG1      VAL   9  -3.754   5.953   1.684
   53   3HG1  VAL   9          3HG1      VAL   9  -3.457   4.473   2.598
   54   1HG2  VAL   9          1HG2      VAL   9  -1.916   4.714  -0.610
   55   2HG2  VAL   9          2HG2      VAL   9  -3.173   3.942  -1.576
   56   3HG2  VAL   9          3HG2      VAL   9  -3.360   5.618  -1.062
   57    H    CYS  10           H        CYS  10  -1.364   1.953  -0.534
   58    HA   CYS  10           HA       CYS  10   0.162   0.930   1.553
   59   1HB   CYS  10          2HB       CYS  10   0.569   0.361  -0.772
   60    H    ARG  11           H        ARG  11   1.524   1.747   2.951
   61    HA   ARG  11           HA       ARG  11   1.567   4.509   3.447
   62   1HB   ARG  11          2HB       ARG  11   3.013   4.040   5.315
   63   1HG   ARG  11          2HG       ARG  11   4.444   2.295   4.153
   64   1HD   ARG  11          2HD       ARG  11   2.832   0.661   3.458
   65    HE   ARG  11           HE       ARG  11   1.645   0.994   5.980
   66   1HH1  ARG  11          2HH1      ARG  11   2.457  -1.596   3.756
   67   2HH1  ARG  11          1HH1      ARG  11   1.206  -2.646   4.338
   68   1HH2  ARG  11          2HH2      ARG  11   0.028  -0.390   6.744
   69   2HH2  ARG  11          1HH2      ARG  11  -0.166  -1.969   6.041
   70    H    ILE  12           H        ILE  12   3.878   2.311   1.931
   71    HA   ILE  12           HA       ILE  12   5.984   4.253   1.971
   72    HB   ILE  12           HB       ILE  12   5.849   1.689   0.381
   73   1HG1  ILE  12          2HG1      ILE  12   5.623   1.257   2.782
   74   1HG2  ILE  12          1HG2      ILE  12   8.492   2.399   1.089
   75   2HG2  ILE  12          2HG2      ILE  12   7.770   2.352  -0.521
   76   3HG2  ILE  12          3HG2      ILE  12   7.732   3.843   0.421
   77   1HD1  ILE  12          1HD1      ILE  12   7.646   3.331   3.026
   78   2HD1  ILE  12          2HD1      ILE  12   6.480   2.730   4.207
   79   3HD1  ILE  12          3HD1      ILE  12   8.006   1.877   3.959
   80    H    CYS  13           H        CYS  13   4.001   2.859  -0.664
   81    HA   CYS  13           HA       CYS  13   4.772   5.186  -2.258
   82   1HB   CYS  13          2HB       CYS  13   3.867   4.072  -4.230
   83    H    LEU  14           H        LEU  14   1.933   4.114  -3.472
   84    HA   LEU  14           HA       LEU  14   0.099   5.157  -1.562
   85   1HB   LEU  14          2HB       LEU  14   0.690   6.805  -4.016
   86    HG   LEU  14           HG       LEU  14   1.803   7.567  -1.935
   87   1HD1  LEU  14          1HD1      LEU  14   1.591   9.534  -2.949
   88   2HD1  LEU  14          2HD1      LEU  14   0.022   9.081  -3.617
   89   3HD1  LEU  14          3HD1      LEU  14   0.123   9.792  -2.006
   90   1HD2  LEU  14          1HD2      LEU  14  -0.431   8.647  -0.568
   91   2HD2  LEU  14          2HD2      LEU  14  -0.732   6.926  -0.813
   92   3HD2  LEU  14          3HD2      LEU  14   0.734   7.456   0.011
   93    H    SER  15           H        SER  15   0.482   2.741  -2.920
   94    HA   SER  15           HA       SER  15  -1.561   2.571  -4.965
   95   1HB   SER  15          2HB       SER  15  -0.001   0.398  -3.547
   96    HG   SER  15           HG       SER  15   1.481   1.503  -4.688
   97    H    ALA  16           H        ALA  16  -3.676   2.317  -4.513
   98    HA   ALA  16           HA       ALA  16  -4.464   1.680  -1.784
   99   1HB   ALA  16          1HB       ALA  16  -6.622   2.395  -2.331
  100   2HB   ALA  16          2HB       ALA  16  -5.568   3.475  -3.242
  101   3HB   ALA  16          3HB       ALA  16  -6.371   2.132  -4.059
  102    H    PHE  17           H        PHE  17  -5.188  -0.276  -1.127
  103    HA   PHE  17           HA       PHE  17  -5.782  -2.257  -3.226
  104   1HB   PHE  17          2HB       PHE  17  -4.441  -2.815  -0.574
  105    HD1  PHE  17           1HD      PHE  17  -3.481  -4.903  -3.206
  106    HD2  PHE  17           2HD      PHE  17  -2.783  -1.038  -1.580
  107    HE1  PHE  17           1HE      PHE  17  -1.297  -4.831  -4.332
  108    HE2  PHE  17           2HE      PHE  17  -0.602  -0.956  -2.710
  109    HZ   PHE  17           HZ       PHE  17   0.144  -2.854  -4.086
  110    H    THR  18           H        THR  18  -7.467  -3.608  -2.939
  111    HA   THR  18           HA       THR  18  -9.697  -2.677  -1.536
  112    HB   THR  18           HB       THR  18 -10.687  -4.910  -2.069
  113    HG1  THR  18           1HG      THR  18  -9.375  -6.352  -3.287
  114   1HG2  THR  18          1HG2      THR  18  -9.822  -4.566  -4.672
  115   2HG2  THR  18          2HG2      THR  18  -9.578  -2.978  -3.947
  116   3HG2  THR  18          3HG2      THR  18 -11.174  -3.725  -3.911
  117    H    THR  19           H        THR  19  -7.269  -5.062  -0.675
  118    HA   THR  19           HA       THR  19  -8.394  -5.215   2.028
  119    HB   THR  19           HB       THR  19  -7.967  -7.639   2.094
  120    HG1  THR  19           1HG      THR  19  -7.779  -8.513  -0.242
  121   1HG2  THR  19          1HG2      THR  19  -9.646  -7.745  -0.236
  122   2HG2  THR  19          2HG2      THR  19 -10.070  -6.354   0.761
  123   3HG2  THR  19          3HG2      THR  19 -10.075  -7.972   1.462
  124    H    LYS  20           H        LYS  20  -6.971  -5.789   3.635
  125    HA   LYS  20           HA       LYS  20  -4.313  -4.860   3.515
  126   1HB   LYS  20          2HB       LYS  20  -5.691  -6.766   5.410
  127   1HG   LYS  20          2HG       LYS  20  -4.913  -3.912   5.723
  128   1HD   LYS  20          2HD       LYS  20  -6.567  -5.727   7.462
  129   1HE   LYS  20          2HE       LYS  20  -5.822  -2.831   7.837
  130   1HZ   LYS  20          1HZ       LYS  20  -7.505  -4.644   9.472
  131   2HZ   LYS  20          2HZ       LYS  20  -7.345  -2.972   9.718
  132   3HZ   LYS  20          3HZ       LYS  20  -6.003  -3.991   9.921
  133    H    ALA  21           H        ALA  21  -5.812  -7.935   2.968
  134    HA   ALA  21           HA       ALA  21  -3.615  -9.571   3.101
  135   1HB   ALA  21          1HB       ALA  21  -6.280  -9.708   1.854
  136   2HB   ALA  21          2HB       ALA  21  -5.070 -10.801   1.177
  137   3HB   ALA  21          3HB       ALA  21  -5.453 -10.871   2.897
  138    H    ASN  22           H        ASN  22  -4.854  -7.675   0.375
  139    HA   ASN  22           HA       ASN  22  -2.855  -8.545  -1.484
  140   1HB   ASN  22          2HB       ASN  22  -4.551  -6.043  -1.504
  141   1HD2  ASN  22          1HD2      ASN  22  -6.555  -6.324  -2.063
  142   2HD2  ASN  22          2HD2      ASN  22  -7.220  -7.711  -2.829
  143    H    CYS  23           H        CYS  23  -3.160  -5.809   0.723
  144    HA   CYS  23           HA       CYS  23  -0.907  -4.380  -0.117
  145   1HB   CYS  23          2HB       CYS  23  -2.659  -3.443   1.342
  146    HG   CYS  23           HG       CYS  23  -0.946  -1.546   1.695
  147    H    ALA  24           H        ALA  24  -1.238  -6.951   2.296
  148    HA   ALA  24           HA       ALA  24   1.309  -6.802   3.415
  149   1HB   ALA  24          1HB       ALA  24  -0.927  -8.443   3.676
  150   2HB   ALA  24          2HB       ALA  24   0.407  -9.527   3.279
  151   3HB   ALA  24          3HB       ALA  24   0.529  -8.450   4.670
  152    H    ARG  25           H        ARG  25   0.200  -8.754   0.642
  153    HA   ARG  25           HA       ARG  25   2.723  -9.972   0.176
  154   1HB   ARG  25          2HB       ARG  25   1.838 -10.707  -1.944
  155   1HG   ARG  25          2HG       ARG  25  -0.455  -8.805  -1.523
  156   1HD   ARG  25          2HD       ARG  25   0.071 -10.851  -3.670
  157    HE   ARG  25           HE       ARG  25  -1.312  -8.459  -3.964
  158   1HH1  ARG  25          2HH1      ARG  25  -2.037 -11.876  -4.285
  159   2HH1  ARG  25          1HH1      ARG  25  -3.125 -11.636  -5.616
  160   1HH2  ARG  25          2HH2      ARG  25  -2.744  -8.159  -5.692
  161   2HH2  ARG  25          1HH2      ARG  25  -3.558  -9.524  -6.392
  162    H    HIS  26           H        HIS  26   1.255  -6.979  -0.787
  163    HA   HIS  26           HA       HIS  26   3.017  -6.223  -2.851
  164   1HB   HIS  26          2HB       HIS  26   0.918  -5.095  -2.633
  165    HD1  HIS  26           1HD      HIS  26   2.583  -3.843  -4.467
  166    HD2  HIS  26           2HD      HIS  26   2.375  -2.261  -0.626
  167    HE1  HIS  26           1HE      HIS  26   3.524  -1.480  -4.593
  168    H    LEU  27           H        LEU  27   3.003  -5.518   0.613
  169    HA   LEU  27           HA       LEU  27   4.728  -3.492   0.753
  170   1HB   LEU  27          2HB       LEU  27   3.506  -4.454   2.657
  171    HG   LEU  27           HG       LEU  27   6.449  -4.135   3.275
  172   1HD1  LEU  27          1HD1      LEU  27   4.296  -2.045   3.462
  173   2HD1  LEU  27          2HD1      LEU  27   6.044  -1.830   3.571
  174   3HD1  LEU  27          3HD1      LEU  27   5.299  -2.250   2.027
  175   1HD2  LEU  27          1HD2      LEU  27   4.154  -4.740   4.923
  176   2HD2  LEU  27          2HD2      LEU  27   5.862  -4.666   5.357
  177   3HD2  LEU  27          3HD2      LEU  27   4.878  -3.200   5.382
  178    H    LYS  28           H        LYS  28   5.760  -6.850   0.478
  179    HA   LYS  28           HA       LYS  28   8.439  -6.616   1.096
  180   1HB   LYS  28          2HB       LYS  28   8.810  -8.600  -0.289
  181   1HG   LYS  28          2HG       LYS  28   5.952  -8.292  -1.177
  182   1HD   LYS  28          2HD       LYS  28   6.642 -10.616  -0.807
  183   1HE   LYS  28          2HE       LYS  28   8.820  -9.968  -2.788
  184   1HZ   LYS  28          1HZ       LYS  28   7.790 -12.207  -3.023
  185   2HZ   LYS  28          2HZ       LYS  28   8.299 -12.561  -1.447
  186   3HZ   LYS  28          3HZ       LYS  28   9.443 -12.226  -2.651
  187    H    VAL  29           H        VAL  29   6.851  -5.632  -1.890
  188    HA   VAL  29           HA       VAL  29   9.037  -5.574  -3.585
  189    HB   VAL  29           HB       VAL  29   7.916  -3.891  -4.908
  190   1HG1  VAL  29          1HG1      VAL  29   7.092  -6.077  -5.199
  191   2HG1  VAL  29          2HG1      VAL  29   6.123  -5.988  -3.727
  192   3HG1  VAL  29          3HG1      VAL  29   5.685  -5.013  -5.130
  193   1HG2  VAL  29          1HG2      VAL  29   6.758  -2.258  -3.961
  194   2HG2  VAL  29          2HG2      VAL  29   5.498  -3.427  -3.560
  195   3HG2  VAL  29          3HG2      VAL  29   6.786  -3.086  -2.403
  196    H    HIS  30           H        HIS  30   8.099  -3.222  -1.139
  197    HA   HIS  30           HA       HIS  30  10.132  -1.336  -1.915
  198   1HB   HIS  30          2HB       HIS  30   8.437  -1.462   0.583
  199    HD1  HIS  30           1HD      HIS  30   8.653   0.681  -2.612
  200    HD2  HIS  30           2HD      HIS  30   5.887  -1.021  -0.002
  201    HE1  HIS  30           1HE      HIS  30   6.357   1.468  -3.359
  202    H    THR  31           H        THR  31  10.913  -4.123  -1.120
  203    HA   THR  31           HA       THR  31  13.338  -3.518   0.085
  204    HB   THR  31           HB       THR  31  12.061  -3.088   2.126
  205    HG1  THR  31           1HG      THR  31  13.648  -5.452   2.149
  206   1HG2  THR  31          1HG2      THR  31  11.219  -5.474   3.133
  207   2HG2  THR  31          2HG2      THR  31  10.793  -5.646   1.429
  208   3HG2  THR  31          3HG2      THR  31  10.168  -4.285   2.365
  209    H    ASP  32           H        ASP  32  12.230  -5.103  -2.024
  210    HA   ASP  32           HA       ASP  32  13.825  -7.427  -1.757
  211   1HB   ASP  32          2HB       ASP  32  11.754  -8.111  -0.455
  212    H    THR  33           H        THR  33  14.064  -8.485  -3.771
  213    HA   THR  33           HA       THR  33  13.699  -6.704  -5.950
  214    HB   THR  33           HB       THR  33  14.880  -8.482  -7.263
  215    HG1  THR  33           1HG      THR  33  13.994 -10.099  -5.491
  216   1HG2  THR  33          1HG2      THR  33  15.867  -6.911  -5.100
  217   2HG2  THR  33          2HG2      THR  33  16.700  -7.408  -6.572
  218   3HG2  THR  33          3HG2      THR  33  16.754  -8.435  -5.140
  219    H    LEU  34           H        LEU  34  12.379  -6.775  -7.630
  220    HA   LEU  34           HA       LEU  34  10.096  -8.516  -7.498
  221   1HB   LEU  34          2HB       LEU  34  10.870  -6.414  -9.523
  222    HG   LEU  34           HG       LEU  34  10.409  -5.423  -7.320
  223   1HD1  LEU  34          1HD1      LEU  34   9.731  -3.853  -8.789
  224   2HD1  LEU  34          2HD1      LEU  34   8.715  -4.979  -9.687
  225   3HD1  LEU  34          3HD1      LEU  34   8.129  -4.272  -8.182
  226   1HD2  LEU  34          1HD2      LEU  34   7.858  -5.658  -6.691
  227   2HD2  LEU  34          2HD2      LEU  34   8.045  -7.211  -7.505
  228   3HD2  LEU  34          3HD2      LEU  34   9.058  -6.814  -6.117
  229    H    SER  35           H        SER  35  12.346 -10.041  -7.862
  230    HA   SER  35           HA       SER  35  11.715 -11.447 -10.274
  231   1HB   SER  35          2HB       SER  35  13.220  -9.704 -11.173
  232    HG   SER  35           HG       SER  35  14.278 -12.325 -11.005
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -16.650  -9.783   4.812
    2   2H    GLY   1          2H        GLY   1 -16.946  -8.803   3.462
    3   3H    GLY   1          3H        GLY   1 -18.240  -9.525   4.289
    4   1HA   GLY   1          2HA       GLY   1 -18.010  -7.146   4.793
    5   2HA   GLY   1          1HA       GLY   1 -17.884  -8.181   6.207
    6    H    SER   2           H        SER   2 -15.318  -9.096   6.057
    7    HA   SER   2           HA       SER   2 -13.842  -6.851   6.981
    8   1HB   SER   2          2HB       SER   2 -12.928  -9.673   6.368
    9    HG   SER   2           HG       SER   2 -13.216  -9.958   8.606
   10    H    SER   3           H        SER   3 -12.304  -5.665   6.023
   11    HA   SER   3           HA       SER   3 -11.125  -4.633   4.398
   12   1HB   SER   3          2HB       SER   3 -10.977  -7.402   3.175
   13    HG   SER   3           HG       SER   3  -9.980  -7.338   5.197
   14    H    GLY   4           H        GLY   4 -11.361  -5.748   1.470
   15   1HA   GLY   4          1HA       GLY   4 -12.754  -5.416  -0.346
   16   2HA   GLY   4          2HA       GLY   4 -14.109  -5.269   0.764
   17    H    LYS   5           H        LYS   5 -13.309  -3.157   2.308
   18    HA   LYS   5           HA       LYS   5 -13.926  -0.861   0.749
   19   1HB   LYS   5          2HB       LYS   5 -14.321  -1.306   3.252
   20   1HG   LYS   5          2HG       LYS   5 -13.071   1.332   2.532
   21   1HD   LYS   5          2HD       LYS   5 -13.054   0.996   4.950
   22   1HE   LYS   5          2HE       LYS   5 -16.019   0.521   4.703
   23   1HZ   LYS   5          1HZ       LYS   5 -14.189   0.864   6.971
   24   2HZ   LYS   5          2HZ       LYS   5 -15.485  -0.218   7.128
   25   3HZ   LYS   5          3HZ       LYS   5 -15.783   1.415   6.780
   26    H    ARG   6           H        ARG   6 -12.471   0.656  -0.191
   27    HA   ARG   6           HA       ARG   6  -9.741  -0.369  -0.297
   28   1HB   ARG   6          2HB       ARG   6 -11.191   1.458  -2.196
   29   1HG   ARG   6          2HG       ARG   6 -10.491  -1.455  -2.450
   30   1HD   ARG   6          2HD       ARG   6 -10.260  -0.301  -4.567
   31    HE   ARG   6           HE       ARG   6 -12.442   1.258  -3.758
   32   1HH1  ARG   6          2HH1      ARG   6 -11.196  -0.339  -6.614
   33   2HH1  ARG   6          1HH1      ARG   6 -12.012   0.728  -7.723
   34   1HH2  ARG   6          2HH2      ARG   6 -13.487   2.674  -5.189
   35   2HH2  ARG   6          1HH2      ARG   6 -13.312   2.457  -6.908
   36    HA   PRO   7           HA       PRO   7  -8.636   3.915   1.190
   37   1HB   PRO   7          2HB       PRO   7  -8.877   3.908   3.871
   38   1HG   PRO   7          2HG       PRO   7  -9.919   1.979   4.467
   39   1HD   PRO   7          2HD       PRO   7  -9.656   0.498   2.779
   40    H    PHE   8           H        PHE   8  -7.858   0.868   1.338
   41    HA   PHE   8           HA       PHE   8  -5.756   0.732   3.276
   42   1HB   PHE   8          2HB       PHE   8  -6.556  -1.121   1.024
   43    HD1  PHE   8           1HD      PHE   8  -7.980   0.339   3.713
   44    HD2  PHE   8           2HD      PHE   8  -6.895  -3.544   2.362
   45    HE1  PHE   8           1HE      PHE   8  -9.751  -0.637   5.110
   46    HE2  PHE   8           2HE      PHE   8  -8.658  -4.529   3.759
   47    HZ   PHE   8           HZ       PHE   8 -10.093  -3.072   5.139
   48    H    VAL   9           H        VAL   9  -5.076   2.878   1.874
   49    HA   VAL   9           HA       VAL   9  -3.462   2.256  -0.401
   50    HB   VAL   9           HB       VAL   9  -4.592   4.480  -0.032
   51   1HG1  VAL   9          1HG1      VAL   9  -4.171   5.727   1.748
   52   2HG1  VAL   9          2HG1      VAL   9  -3.165   4.417   2.373
   53   3HG1  VAL   9          3HG1      VAL   9  -2.439   5.701   1.408
   54   1HG2  VAL   9          1HG2      VAL   9  -3.152   5.472  -1.448
   55   2HG2  VAL   9          2HG2      VAL   9  -1.757   5.171  -0.412
   56   3HG2  VAL   9          3HG2      VAL   9  -2.381   3.885  -1.444
   57    H    CYS  10           H        CYS  10  -1.299   2.059  -0.543
   58    HA   CYS  10           HA       CYS  10   0.112   1.009   1.628
   59   1HB   CYS  10          2HB       CYS  10   0.588   0.427  -0.679
   60    H    ARG  11           H        ARG  11   1.412   1.875   3.091
   61    HA   ARG  11           HA       ARG  11   1.462   4.671   3.548
   62   1HB   ARG  11          2HB       ARG  11   3.285   2.595   4.761
   63   1HG   ARG  11          2HG       ARG  11   0.543   3.436   5.652
   64   1HD   ARG  11          2HD       ARG  11   0.950   1.925   7.558
   65    HE   ARG  11           HE       ARG  11   3.107   3.709   8.050
   66   1HH1  ARG  11          2HH1      ARG  11  -0.358   3.570   7.546
   67   2HH1  ARG  11          1HH1      ARG  11  -0.647   5.174   8.167
   68   1HH2  ARG  11          2HH2      ARG  11   2.730   5.811   8.897
   69   2HH2  ARG  11          1HH2      ARG  11   1.108   6.434   8.945
   70    H    ILE  12           H        ILE  12   3.694   2.362   2.148
   71    HA   ILE  12           HA       ILE  12   5.898   4.149   2.213
   72    HB   ILE  12           HB       ILE  12   5.645   1.632   0.562
   73   1HG1  ILE  12          2HG1      ILE  12   5.228   1.181   2.947
   74   1HG2  ILE  12          1HG2      ILE  12   7.550   3.527   0.355
   75   2HG2  ILE  12          2HG2      ILE  12   8.245   2.530   1.633
   76   3HG2  ILE  12          3HG2      ILE  12   7.844   1.811   0.073
   77   1HD1  ILE  12          1HD1      ILE  12   7.877   1.646   3.953
   78   2HD1  ILE  12          2HD1      ILE  12   7.100   3.158   3.478
   79   3HD1  ILE  12          3HD1      ILE  12   6.312   2.088   4.637
   80    H    CYS  13           H        CYS  13   3.845   2.922  -0.447
   81    HA   CYS  13           HA       CYS  13   4.801   5.209  -2.012
   82   1HB   CYS  13          2HB       CYS  13   4.009   4.120  -4.051
   83    H    LEU  14           H        LEU  14   2.028   4.124  -3.384
   84    HA   LEU  14           HA       LEU  14   0.086   5.228  -1.616
   85   1HB   LEU  14          2HB       LEU  14   0.837   6.775  -4.087
   86    HG   LEU  14           HG       LEU  14   1.807   7.627  -1.980
   87   1HD1  LEU  14          1HD1      LEU  14  -0.383   9.425  -2.999
   88   2HD1  LEU  14          2HD1      LEU  14   1.152   9.903  -2.276
   89   3HD1  LEU  14          3HD1      LEU  14   1.127   9.130  -3.861
   90   1HD2  LEU  14          1HD2      LEU  14   0.638   7.676  -0.095
   91   2HD2  LEU  14          2HD2      LEU  14  -0.584   8.706  -0.841
   92   3HD2  LEU  14          3HD2      LEU  14  -0.724   6.951  -0.951
   93    H    SER  15           H        SER  15   0.606   2.775  -2.942
   94    HA   SER  15           HA       SER  15  -1.418   2.544  -5.014
   95   1HB   SER  15          2HB       SER  15   0.187   0.392  -3.605
   96    HG   SER  15           HG       SER  15   1.628   1.647  -4.716
   97    H    ALA  16           H        ALA  16  -3.528   2.202  -4.560
   98    HA   ALA  16           HA       ALA  16  -4.262   1.540  -1.805
   99   1HB   ALA  16          1HB       ALA  16  -5.368   3.253  -3.727
  100   2HB   ALA  16          2HB       ALA  16  -6.527   1.936  -3.535
  101   3HB   ALA  16          3HB       ALA  16  -6.014   2.871  -2.131
  102    H    PHE  17           H        PHE  17  -5.156  -0.396  -1.211
  103    HA   PHE  17           HA       PHE  17  -5.826  -2.259  -3.388
  104   1HB   PHE  17          2HB       PHE  17  -4.466  -2.996  -0.787
  105    HD1  PHE  17           1HD      PHE  17  -2.779  -1.158  -1.678
  106    HD2  PHE  17           2HD      PHE  17  -3.535  -4.900  -3.561
  107    HE1  PHE  17           1HE      PHE  17  -0.622  -1.007  -2.846
  108    HE2  PHE  17           2HE      PHE  17  -1.374  -4.754  -4.728
  109    HZ   PHE  17           HZ       PHE  17   0.084  -2.804  -4.372
  110    H    THR  18           H        THR  18  -7.434  -3.790  -2.964
  111    HA   THR  18           HA       THR  18  -9.656  -2.785  -1.552
  112    HB   THR  18           HB       THR  18 -10.687  -4.999  -2.065
  113    HG1  THR  18           1HG      THR  18  -9.245  -6.278  -3.582
  114   1HG2  THR  18          1HG2      THR  18 -10.831  -4.653  -4.411
  115   2HG2  THR  18          2HG2      THR  18  -9.246  -3.882  -4.465
  116   3HG2  THR  18          3HG2      THR  18 -10.600  -3.059  -3.691
  117    H    THR  19           H        THR  19  -7.293  -5.277  -0.776
  118    HA   THR  19           HA       THR  19  -8.510  -5.554   1.890
  119    HB   THR  19           HB       THR  19  -7.965  -7.959   1.814
  120    HG1  THR  19           1HG      THR  19  -7.521  -8.763  -0.426
  121   1HG2  THR  19          1HG2      THR  19  -9.668  -8.622   0.113
  122   2HG2  THR  19          2HG2      THR  19  -9.699  -6.947  -0.441
  123   3HG2  THR  19          3HG2      THR  19 -10.210  -7.344   1.201
  124    H    LYS  20           H        LYS  20  -7.162  -6.081   3.601
  125    HA   LYS  20           HA       LYS  20  -4.582  -4.987   3.727
  126   1HB   LYS  20          2HB       LYS  20  -5.664  -7.287   5.378
  127   1HG   LYS  20          2HG       LYS  20  -7.160  -5.333   5.446
  128   1HD   LYS  20          2HD       LYS  20  -4.772  -3.961   6.670
  129   1HE   LYS  20          2HE       LYS  20  -7.619  -3.020   6.379
  130   1HZ   LYS  20          1HZ       LYS  20  -6.989  -1.029   7.262
  131   2HZ   LYS  20          2HZ       LYS  20  -5.620  -1.373   6.321
  132   3HZ   LYS  20          3HZ       LYS  20  -5.591  -1.648   7.995
  133    H    ALA  21           H        ALA  21  -5.807  -8.157   2.973
  134    HA   ALA  21           HA       ALA  21  -3.549  -9.706   3.052
  135   1HB   ALA  21          1HB       ALA  21  -5.261 -11.081   2.602
  136   2HB   ALA  21          2HB       ALA  21  -6.163  -9.820   1.753
  137   3HB   ALA  21          3HB       ALA  21  -4.910 -10.734   0.908
  138    H    ASN  22           H        ASN  22  -4.769  -7.766   0.329
  139    HA   ASN  22           HA       ASN  22  -2.633  -8.395  -1.440
  140   1HB   ASN  22          2HB       ASN  22  -4.605  -6.125  -1.376
  141   1HD2  ASN  22          1HD2      ASN  22  -6.482  -6.798  -2.083
  142   2HD2  ASN  22          2HD2      ASN  22  -6.749  -8.095  -3.183
  143    H    CYS  23           H        CYS  23  -3.190  -5.676   0.775
  144    HA   CYS  23           HA       CYS  23  -0.921  -4.199   0.084
  145   1HB   CYS  23          2HB       CYS  23  -2.751  -3.295   1.440
  146    HG   CYS  23           HG       CYS  23  -0.936  -2.554   3.907
  147    H    ALA  24           H        ALA  24  -1.344  -6.765   2.493
  148    HA   ALA  24           HA       ALA  24   1.183  -6.627   3.687
  149   1HB   ALA  24          1HB       ALA  24   0.674  -8.626   4.713
  150   2HB   ALA  24          2HB       ALA  24  -0.930  -8.018   4.304
  151   3HB   ALA  24          3HB       ALA  24  -0.173  -9.257   3.302
  152    H    ARG  25           H        ARG  25   0.115  -8.598   0.904
  153    HA   ARG  25           HA       ARG  25   2.724  -9.704   0.539
  154   1HB   ARG  25          2HB       ARG  25   1.839 -10.699  -1.532
  155   1HG   ARG  25          2HG       ARG  25  -0.662 -10.602  -1.871
  156   1HD   ARG  25          2HD       ARG  25   0.907  -8.127  -2.582
  157    HE   ARG  25           HE       ARG  25  -1.739  -8.780  -3.222
  158   1HH1  ARG  25          2HH1      ARG  25   1.215  -7.880  -4.875
  159   2HH1  ARG  25          1HH1      ARG  25   0.387  -7.061  -6.167
  160   1HH2  ARG  25          2HH2      ARG  25  -2.829  -7.704  -4.908
  161   2HH2  ARG  25          1HH2      ARG  25  -1.920  -6.931  -6.169
  162    H    HIS  26           H        HIS  26   1.098  -6.888  -0.620
  163    HA   HIS  26           HA       HIS  26   2.708  -6.200  -2.824
  164   1HB   HIS  26          2HB       HIS  26   0.691  -4.991  -2.486
  165    HD1  HIS  26           1HD      HIS  26   2.300  -3.724  -4.395
  166    HD2  HIS  26           2HD      HIS  26   2.312  -2.222  -0.509
  167    HE1  HIS  26           1HE      HIS  26   3.332  -1.397  -4.505
  168    H    LEU  27           H        LEU  27   3.007  -5.469   0.606
  169    HA   LEU  27           HA       LEU  27   4.824  -3.507   0.632
  170   1HB   LEU  27          2HB       LEU  27   3.689  -4.447   2.599
  171    HG   LEU  27           HG       LEU  27   6.677  -4.275   3.020
  172   1HD1  LEU  27          1HD1      LEU  27   6.529  -2.030   3.018
  173   2HD1  LEU  27          2HD1      LEU  27   5.104  -2.317   2.020
  174   3HD1  LEU  27          3HD1      LEU  27   4.927  -2.032   3.752
  175   1HD2  LEU  27          1HD2      LEU  27   6.292  -4.090   5.293
  176   2HD2  LEU  27          2HD2      LEU  27   4.599  -3.652   5.075
  177   3HD2  LEU  27          3HD2      LEU  27   5.119  -5.318   4.821
  178    H    LYS  28           H        LYS  28   5.629  -6.877   0.114
  179    HA   LYS  28           HA       LYS  28   8.314  -6.909   0.662
  180   1HB   LYS  28          2HB       LYS  28   8.511  -8.799  -0.870
  181   1HG   LYS  28          2HG       LYS  28   5.725  -8.114  -1.781
  182   1HD   LYS  28          2HD       LYS  28   5.984 -10.067  -3.254
  183   1HE   LYS  28          2HE       LYS  28   6.357 -10.728  -0.337
  184   1HZ   LYS  28          1HZ       LYS  28   4.665 -12.535  -1.468
  185   2HZ   LYS  28          2HZ       LYS  28   6.277 -12.814  -1.033
  186   3HZ   LYS  28          3HZ       LYS  28   5.894 -12.380  -2.630
  187    H    VAL  29           H        VAL  29   6.789  -5.533  -2.204
  188    HA   VAL  29           HA       VAL  29   9.025  -5.442  -3.867
  189    HB   VAL  29           HB       VAL  29   7.953  -3.622  -5.086
  190   1HG1  VAL  29          1HG1      VAL  29   5.766  -4.737  -5.520
  191   2HG1  VAL  29          2HG1      VAL  29   7.169  -5.807  -5.577
  192   3HG1  VAL  29          3HG1      VAL  29   6.112  -5.812  -4.164
  193   1HG2  VAL  29          1HG2      VAL  29   7.059  -2.632  -2.793
  194   2HG2  VAL  29          2HG2      VAL  29   6.254  -2.306  -4.325
  195   3HG2  VAL  29          3HG2      VAL  29   5.624  -3.549  -3.246
  196    H    HIS  30           H        HIS  30   8.069  -3.268  -1.273
  197    HA   HIS  30           HA       HIS  30  10.094  -1.322  -1.875
  198   1HB   HIS  30          2HB       HIS  30   8.392  -1.684   0.594
  199    HD1  HIS  30           1HD      HIS  30   8.658   0.835  -2.304
  200    HD2  HIS  30           2HD      HIS  30   5.856  -1.214  -0.011
  201    HE1  HIS  30           1HE      HIS  30   6.371   1.568  -3.127
  202    H    THR  31           H        THR  31  11.303  -3.801  -1.678
  203    HA   THR  31           HA       THR  31  13.468  -3.222  -0.058
  204    HB   THR  31           HB       THR  31  12.086  -3.736   1.873
  205    HG1  THR  31           1HG      THR  31  14.193  -4.337   2.162
  206   1HG2  THR  31          1HG2      THR  31  10.687  -5.468   0.454
  207   2HG2  THR  31          2HG2      THR  31  10.842  -5.627   2.206
  208   3HG2  THR  31          3HG2      THR  31  11.844  -6.609   1.138
  209    H    ASP  32           H        ASP  32  11.581  -5.972  -1.365
  210    HA   ASP  32           HA       ASP  32  13.953  -7.481  -1.941
  211   1HB   ASP  32          2HB       ASP  32  11.079  -7.883  -2.768
  212    H    THR  33           H        THR  33  11.634  -5.713  -3.990
  213    HA   THR  33           HA       THR  33  13.706  -5.066  -5.878
  214    HB   THR  33           HB       THR  33  11.449  -6.897  -6.737
  215    HG1  THR  33           1HG      THR  33  13.927  -7.407  -5.836
  216   1HG2  THR  33          1HG2      THR  33  12.063  -5.119  -8.379
  217   2HG2  THR  33          2HG2      THR  33  12.351  -6.762  -8.955
  218   3HG2  THR  33          3HG2      THR  33  13.700  -5.773  -8.397
  219    H    LEU  34           H        LEU  34  13.251  -3.147  -6.788
  220    HA   LEU  34           HA       LEU  34  10.577  -2.369  -7.451
  221   1HB   LEU  34          2HB       LEU  34  10.366  -0.425  -6.037
  222    HG   LEU  34           HG       LEU  34  12.754   0.112  -5.565
  223   1HD1  LEU  34          1HD1      LEU  34  10.621   0.763  -4.171
  224   2HD1  LEU  34          2HD1      LEU  34  11.408  -0.215  -2.933
  225   3HD1  LEU  34          3HD1      LEU  34  12.242   1.184  -3.611
  226   1HD2  LEU  34          1HD2      LEU  34  14.090  -1.444  -4.701
  227   2HD2  LEU  34          2HD2      LEU  34  13.166  -1.345  -3.201
  228   3HD2  LEU  34          3HD2      LEU  34  12.725  -2.528  -4.432
  229    H    SER  35           H        SER  35  13.911  -1.293  -6.922
  230    HA   SER  35           HA       SER  35  14.044  -0.192  -9.580
  231   1HB   SER  35          2HB       SER  35  14.331   1.662  -7.192
  232    HG   SER  35           HG       SER  35  12.204   1.039  -8.719
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -18.287 -10.403   5.990
    2   2H    GLY   1          2H        GLY   1 -19.711  -9.547   5.659
    3   3H    GLY   1          3H        GLY   1 -19.019  -9.477   7.204
    4   1HA   GLY   1          2HA       GLY   1 -18.600  -7.724   5.120
    5   2HA   GLY   1          1HA       GLY   1 -17.739  -7.782   6.653
    6    H    SER   2           H        SER   2 -17.752 -10.017   3.886
    7    HA   SER   2           HA       SER   2 -14.956 -10.440   3.971
    8   1HB   SER   2          2HB       SER   2 -16.905 -10.948   1.709
    9    HG   SER   2           HG       SER   2 -16.041 -12.632   3.839
   10    H    SER   3           H        SER   3 -13.315  -9.619   2.775
   11    HA   SER   3           HA       SER   3 -12.110  -8.225   1.460
   12   1HB   SER   3          2HB       SER   3 -13.686  -8.695  -0.378
   13    HG   SER   3           HG       SER   3 -13.573  -6.029  -0.809
   14    H    GLY   4           H        GLY   4 -11.203  -6.347   1.902
   15   1HA   GLY   4          1HA       GLY   4 -12.256  -4.740   4.003
   16   2HA   GLY   4          2HA       GLY   4 -10.762  -4.463   3.125
   17    H    LYS   5           H        LYS   5 -10.724  -2.533   2.275
   18    HA   LYS   5           HA       LYS   5 -12.782  -1.606   0.516
   19   1HB   LYS   5          2HB       LYS   5 -13.154   0.530   1.804
   20   1HG   LYS   5          2HG       LYS   5 -12.145  -1.047   4.157
   21   1HD   LYS   5          2HD       LYS   5 -12.452   1.081   5.354
   22   1HE   LYS   5          2HE       LYS   5 -14.911   1.108   5.403
   23   1HZ   LYS   5          1HZ       LYS   5 -14.634  -1.708   5.198
   24   2HZ   LYS   5          2HZ       LYS   5 -14.848  -0.748   6.581
   25   3HZ   LYS   5          3HZ       LYS   5 -13.286  -1.036   5.984
   26    H    ARG   6           H        ARG   6 -12.153   1.005   0.282
   27    HA   ARG   6           HA       ARG   6  -9.765   0.711  -1.198
   28   1HB   ARG   6          2HB       ARG   6 -11.467   3.152  -0.802
   29   1HG   ARG   6          2HG       ARG   6 -12.736   1.462  -1.917
   30   1HD   ARG   6          2HD       ARG   6 -10.326   1.155  -3.707
   31    HE   ARG   6           HE       ARG   6 -12.524  -0.584  -4.252
   32   1HH1  ARG   6          2HH1      ARG   6 -11.074   2.505  -5.034
   33   2HH1  ARG   6          1HH1      ARG   6 -12.060   2.767  -6.444
   34   1HH2  ARG   6          2HH2      ARG   6 -13.807  -0.253  -6.136
   35   2HH2  ARG   6          1HH2      ARG   6 -13.622   1.211  -7.059
   36    HA   PRO   7           HA       PRO   7  -8.016   4.220   1.763
   37   1HB   PRO   7          2HB       PRO   7  -8.511   3.772   4.385
   38   1HG   PRO   7          2HG       PRO   7  -9.783   1.804   3.983
   39   1HD   PRO   7          2HD       PRO   7 -11.170   1.638   2.060
   40    H    PHE   8           H        PHE   8  -7.639   1.024   1.490
   41    HA   PHE   8           HA       PHE   8  -5.551   0.650   3.486
   42   1HB   PHE   8          2HB       PHE   8  -6.419  -1.144   1.211
   43    HD1  PHE   8           1HD      PHE   8  -8.109   0.341   3.530
   44    HD2  PHE   8           2HD      PHE   8  -6.609  -3.580   2.852
   45    HE1  PHE   8           1HE      PHE   8  -9.947  -0.585   4.863
   46    HE2  PHE   8           2HE      PHE   8  -8.447  -4.523   4.172
   47    HZ   PHE   8           HZ       PHE   8 -10.126  -2.999   5.194
   48    H    VAL   9           H        VAL   9  -4.958   2.822   2.006
   49    HA   VAL   9           HA       VAL   9  -3.509   2.172  -0.361
   50    HB   VAL   9           HB       VAL   9  -4.636   4.391   0.060
   51   1HG1  VAL   9          1HG1      VAL   9  -3.982   4.889   2.284
   52   2HG1  VAL   9          2HG1      VAL   9  -2.267   4.757   1.873
   53   3HG1  VAL   9          3HG1      VAL   9  -3.226   6.098   1.241
   54   1HG2  VAL   9          1HG2      VAL   9  -1.724   4.629  -0.658
   55   2HG2  VAL   9          2HG2      VAL   9  -2.957   3.974  -1.734
   56   3HG2  VAL   9          3HG2      VAL   9  -3.053   5.653  -1.201
   57    H    CYS  10           H        CYS  10  -1.375   1.927  -0.671
   58    HA   CYS  10           HA       CYS  10   0.158   0.872   1.364
   59   1HB   CYS  10          2HB       CYS  10   0.563   0.397  -0.972
   60    H    ARG  11           H        ARG  11   1.598   1.606   2.724
   61    HA   ARG  11           HA       ARG  11   1.582   4.345   3.440
   62   1HB   ARG  11          2HB       ARG  11   3.465   2.199   4.420
   63   1HG   ARG  11          2HG       ARG  11   0.698   2.886   5.385
   64   1HD   ARG  11          2HD       ARG  11   2.721   0.936   6.473
   65    HE   ARG  11           HE       ARG  11   0.907  -0.080   7.374
   66   1HH1  ARG  11          2HH1      ARG  11   0.110   3.317   6.997
   67   2HH1  ARG  11          1HH1      ARG  11  -1.502   3.139   7.615
   68   1HH2  ARG  11          2HH2      ARG  11  -1.216  -0.312   8.189
   69   2HH2  ARG  11          1HH2      ARG  11  -2.257   1.073   8.280
   70    H    ILE  12           H        ILE  12   3.923   2.215   1.873
   71    HA   ILE  12           HA       ILE  12   5.976   4.186   1.956
   72    HB   ILE  12           HB       ILE  12   5.934   1.653   0.317
   73   1HG1  ILE  12          2HG1      ILE  12   5.641   1.174   2.710
   74   1HG2  ILE  12          1HG2      ILE  12   7.728   3.825   0.347
   75   2HG2  ILE  12          2HG2      ILE  12   8.522   2.500   1.198
   76   3HG2  ILE  12          3HG2      ILE  12   7.930   2.263  -0.446
   77   1HD1  ILE  12          1HD1      ILE  12   6.465   2.653   4.163
   78   2HD1  ILE  12          2HD1      ILE  12   7.963   1.742   3.982
   79   3HD1  ILE  12          3HD1      ILE  12   7.709   3.214   3.045
   80    H    CYS  13           H        CYS  13   4.039   2.807  -0.725
   81    HA   CYS  13           HA       CYS  13   4.819   5.179  -2.250
   82   1HB   CYS  13          2HB       CYS  13   3.978   4.133  -4.278
   83    H    LEU  14           H        LEU  14   2.004   4.129  -3.526
   84    HA   LEU  14           HA       LEU  14   0.137   5.127  -1.620
   85   1HB   LEU  14          2HB       LEU  14   0.784   6.828  -4.020
   86    HG   LEU  14           HG       LEU  14   1.875   7.523  -1.909
   87   1HD1  LEU  14          1HD1      LEU  14  -0.021   9.134  -3.458
   88   2HD1  LEU  14          2HD1      LEU  14   0.419   9.819  -1.893
   89   3HD1  LEU  14          3HD1      LEU  14   1.674   9.431  -3.071
   90   1HD2  LEU  14          1HD2      LEU  14   0.796   7.430   0.027
   91   2HD2  LEU  14          2HD2      LEU  14  -0.400   8.585  -0.561
   92   3HD2  LEU  14          3HD2      LEU  14  -0.646   6.855  -0.811
   93    H    SER  15           H        SER  15   0.488   2.734  -2.965
   94    HA   SER  15           HA       SER  15  -1.608   2.632  -4.993
   95   1HB   SER  15          2HB       SER  15   0.063   0.407  -3.799
   96    HG   SER  15           HG       SER  15   1.473   1.670  -4.899
   97    H    ALA  16           H        ALA  16  -3.689   2.354  -4.389
   98    HA   ALA  16           HA       ALA  16  -4.261   1.522  -1.655
   99   1HB   ALA  16          1HB       ALA  16  -6.142   2.712  -1.837
  100   2HB   ALA  16          2HB       ALA  16  -5.464   3.326  -3.347
  101   3HB   ALA  16          3HB       ALA  16  -6.572   1.953  -3.373
  102    H    PHE  17           H        PHE  17  -5.056  -0.424  -1.065
  103    HA   PHE  17           HA       PHE  17  -5.868  -2.273  -3.207
  104   1HB   PHE  17          2HB       PHE  17  -4.300  -3.004  -0.720
  105    HD1  PHE  17           1HD      PHE  17  -2.672  -1.191  -1.695
  106    HD2  PHE  17           2HD      PHE  17  -3.604  -4.879  -3.603
  107    HE1  PHE  17           1HE      PHE  17  -0.614  -1.023  -3.031
  108    HE2  PHE  17           2HE      PHE  17  -1.547  -4.715  -4.938
  109    HZ   PHE  17           HZ       PHE  17  -0.049  -2.782  -4.654
  110    H    THR  18           H        THR  18  -7.600  -3.627  -2.775
  111    HA   THR  18           HA       THR  18  -9.551  -2.550  -1.059
  112    HB   THR  18           HB       THR  18 -10.870  -4.592  -1.645
  113    HG1  THR  18           1HG      THR  18  -9.942  -6.193  -2.804
  114   1HG2  THR  18          1HG2      THR  18 -11.434  -3.253  -3.341
  115   2HG2  THR  18          2HG2      THR  18 -10.190  -4.054  -4.300
  116   3HG2  THR  18          3HG2      THR  18  -9.807  -2.572  -3.424
  117    H    THR  19           H        THR  19  -7.806  -5.649  -0.813
  118    HA   THR  19           HA       THR  19  -8.700  -5.870   1.973
  119    HB   THR  19           HB       THR  19  -7.973  -8.210   1.870
  120    HG1  THR  19           1HG      THR  19  -7.673  -8.378  -0.832
  121   1HG2  THR  19          1HG2      THR  19  -9.751  -7.448  -0.448
  122   2HG2  THR  19          2HG2      THR  19 -10.269  -7.640   1.227
  123   3HG2  THR  19          3HG2      THR  19  -9.673  -9.033   0.322
  124    H    LYS  20           H        LYS  20  -7.255  -6.370   3.616
  125    HA   LYS  20           HA       LYS  20  -4.807  -5.001   3.697
  126   1HB   LYS  20          2HB       LYS  20  -5.587  -7.440   5.308
  127   1HG   LYS  20          2HG       LYS  20  -6.087  -4.560   5.867
  128   1HD   LYS  20          2HD       LYS  20  -6.467  -7.006   7.572
  129   1HE   LYS  20          2HE       LYS  20  -7.383  -5.460   9.261
  130   1HZ   LYS  20          1HZ       LYS  20  -9.251  -6.322   8.443
  131   2HZ   LYS  20          2HZ       LYS  20  -8.727  -6.206   6.836
  132   3HZ   LYS  20          3HZ       LYS  20  -9.437  -4.866   7.590
  133    H    ALA  21           H        ALA  21  -5.692  -8.276   2.970
  134    HA   ALA  21           HA       ALA  21  -3.247  -9.462   3.009
  135   1HB   ALA  21          1HB       ALA  21  -5.871 -10.085   1.973
  136   2HB   ALA  21          2HB       ALA  21  -4.596 -10.772   0.964
  137   3HB   ALA  21          3HB       ALA  21  -4.660 -11.155   2.685
  138    H    ASN  22           H        ASN  22  -4.801  -7.717   0.328
  139    HA   ASN  22           HA       ASN  22  -2.788  -8.304  -1.594
  140   1HB   ASN  22          2HB       ASN  22  -4.678  -5.949  -1.466
  141   1HD2  ASN  22          1HD2      ASN  22  -6.653  -6.313  -2.181
  142   2HD2  ASN  22          2HD2      ASN  22  -7.206  -7.786  -2.896
  143    H    CYS  23           H        CYS  23  -3.187  -5.636   0.700
  144    HA   CYS  23           HA       CYS  23  -0.947  -4.146  -0.150
  145   1HB   CYS  23          2HB       CYS  23  -2.735  -3.232   1.284
  146    HG   CYS  23           HG       CYS  23  -0.940  -1.363   1.553
  147    H    ALA  24           H        ALA  24  -1.331  -6.713   2.256
  148    HA   ALA  24           HA       ALA  24   1.199  -6.598   3.411
  149   1HB   ALA  24          1HB       ALA  24  -1.061  -8.223   3.629
  150   2HB   ALA  24          2HB       ALA  24   0.276  -9.314   3.257
  151   3HB   ALA  24          3HB       ALA  24   0.378  -8.240   4.651
  152    H    ARG  25           H        ARG  25   0.115  -8.585   0.628
  153    HA   ARG  25           HA       ARG  25   2.678  -9.753   0.215
  154   1HB   ARG  25          2HB       ARG  25   1.838 -10.464  -1.987
  155   1HG   ARG  25          2HG       ARG  25  -0.742  -9.083  -1.310
  156   1HD   ARG  25          2HD       ARG  25   0.183 -10.503  -3.800
  157    HE   ARG  25           HE       ARG  25  -2.059  -8.827  -3.368
  158   1HH1  ARG  25          2HH1      ARG  25  -1.017 -11.732  -5.018
  159   2HH1  ARG  25          1HH1      ARG  25  -2.382 -11.764  -6.103
  160   1HH2  ARG  25          2HH2      ARG  25  -3.875  -8.875  -4.786
  161   2HH2  ARG  25          1HH2      ARG  25  -3.999 -10.135  -5.980
  162    H    HIS  26           H        HIS  26   1.088  -6.890  -0.988
  163    HA   HIS  26           HA       HIS  26   2.876  -6.145  -3.012
  164   1HB   HIS  26          2HB       HIS  26   0.768  -5.045  -2.853
  165    HD1  HIS  26           1HD      HIS  26   2.310  -3.705  -4.703
  166    HD2  HIS  26           2HD      HIS  26   2.260  -2.223  -0.817
  167    HE1  HIS  26           1HE      HIS  26   3.379  -1.397  -4.783
  168    H    LEU  27           H        LEU  27   2.830  -5.395   0.433
  169    HA   LEU  27           HA       LEU  27   4.593  -3.375   0.598
  170   1HB   LEU  27          2HB       LEU  27   3.260  -4.273   2.457
  171    HG   LEU  27           HG       LEU  27   6.187  -4.052   3.172
  172   1HD1  LEU  27          1HD1      LEU  27   5.978  -1.900   2.679
  173   2HD1  LEU  27          2HD1      LEU  27   4.283  -2.130   2.243
  174   3HD1  LEU  27          3HD1      LEU  27   4.723  -1.768   3.912
  175   1HD2  LEU  27          1HD2      LEU  27   5.643  -4.283   5.318
  176   2HD2  LEU  27          2HD2      LEU  27   4.239  -3.228   5.156
  177   3HD2  LEU  27          3HD2      LEU  27   4.104  -4.941   4.759
  178    H    LYS  28           H        LYS  28   5.519  -6.772   0.377
  179    HA   LYS  28           HA       LYS  28   8.127  -6.628   1.211
  180   1HB   LYS  28          2HB       LYS  28   8.569  -8.652  -0.087
  181   1HG   LYS  28          2HG       LYS  28   5.872  -8.202  -1.344
  182   1HD   LYS  28          2HD       LYS  28   6.277 -10.553  -0.684
  183   1HE   LYS  28          2HE       LYS  28   8.758 -10.484  -0.826
  184   1HZ   LYS  28          1HZ       LYS  28   8.387  -9.519  -3.324
  185   2HZ   LYS  28          2HZ       LYS  28   8.810 -11.128  -3.627
  186   3HZ   LYS  28          3HZ       LYS  28   9.850 -10.133  -2.730
  187    H    VAL  29           H        VAL  29   6.870  -5.573  -1.890
  188    HA   VAL  29           HA       VAL  29   9.247  -5.566  -3.341
  189    HB   VAL  29           HB       VAL  29   8.286  -3.884  -4.803
  190   1HG1  VAL  29          1HG1      VAL  29   5.853  -5.117  -4.819
  191   2HG1  VAL  29          2HG1      VAL  29   7.320  -5.729  -5.584
  192   3HG1  VAL  29          3HG1      VAL  29   6.865  -6.289  -3.973
  193   1HG2  VAL  29          1HG2      VAL  29   6.454  -2.571  -4.353
  194   2HG2  VAL  29          2HG2      VAL  29   5.843  -3.659  -3.106
  195   3HG2  VAL  29          3HG2      VAL  29   7.236  -2.628  -2.773
  196    H    HIS  30           H        HIS  30   8.048  -3.195  -1.022
  197    HA   HIS  30           HA       HIS  30  10.063  -1.257  -1.652
  198   1HB   HIS  30          2HB       HIS  30   8.210  -1.458   0.725
  199    HD1  HIS  30           1HD      HIS  30   8.648   0.812  -2.355
  200    HD2  HIS  30           2HD      HIS  30   5.728  -1.121  -0.112
  201    HE1  HIS  30           1HE      HIS  30   6.413   1.437  -3.381
  202    H    THR  31           H        THR  31  11.372  -3.526  -1.283
  203    HA   THR  31           HA       THR  31  13.451  -2.827   0.355
  204    HB   THR  31           HB       THR  31  12.042  -3.342   2.295
  205    HG1  THR  31           1HG      THR  31  14.404  -3.977   2.078
  206   1HG2  THR  31          1HG2      THR  31  10.789  -5.214   0.927
  207   2HG2  THR  31          2HG2      THR  31  10.937  -5.313   2.682
  208   3HG2  THR  31          3HG2      THR  31  12.020  -6.249   1.651
  209    H    ASP  32           H        ASP  32  11.581  -5.486  -0.988
  210    HA   ASP  32           HA       ASP  32  13.802  -7.204  -1.527
  211   1HB   ASP  32          2HB       ASP  32  11.447  -7.973  -1.298
  212    H    THR  33           H        THR  33  11.699  -5.308  -3.690
  213    HA   THR  33           HA       THR  33  13.877  -4.243  -5.187
  214    HB   THR  33           HB       THR  33  12.067  -6.227  -6.602
  215    HG1  THR  33           1HG      THR  33  14.426  -6.537  -5.357
  216   1HG2  THR  33          1HG2      THR  33  14.207  -5.480  -8.242
  217   2HG2  THR  33          2HG2      THR  33  13.586  -3.977  -7.557
  218   3HG2  THR  33          3HG2      THR  33  12.508  -5.055  -8.443
  219    H    LEU  34           H        LEU  34  13.232  -2.269  -5.888
  220    HA   LEU  34           HA       LEU  34  10.420  -1.767  -6.477
  221   1HB   LEU  34          2HB       LEU  34  10.208   0.029  -4.852
  222    HG   LEU  34           HG       LEU  34  12.625   0.636  -4.502
  223   1HD1  LEU  34          1HD1      LEU  34  10.461   0.679  -2.726
  224   2HD1  LEU  34          2HD1      LEU  34  11.861   0.199  -1.763
  225   3HD1  LEU  34          3HD1      LEU  34  11.902   1.698  -2.692
  226   1HD2  LEU  34          1HD2      LEU  34  12.589  -1.963  -2.984
  227   2HD2  LEU  34          2HD2      LEU  34  13.731  -1.427  -4.215
  228   3HD2  LEU  34          3HD2      LEU  34  13.736  -0.676  -2.619
  229    H    SER  35           H        SER  35  12.140  -1.667  -8.405
  230    HA   SER  35           HA       SER  35  12.211   1.127  -9.096
  231   1HB   SER  35          2HB       SER  35  14.627   1.088  -9.730
  232    HG   SER  35           HG       SER  35  14.676  -1.304  -9.709
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1 -15.701 -11.100   6.591
    2   2H    GLY   1          2H        GLY   1 -15.953  -9.423   6.573
    3   3H    GLY   1          3H        GLY   1 -14.843 -10.099   7.660
    4   1HA   GLY   1          2HA       GLY   1 -13.753  -9.026   5.764
    5   2HA   GLY   1          1HA       GLY   1 -13.371 -10.733   5.932
    6    H    SER   2           H        SER   2 -16.229  -9.108   4.576
    7    HA   SER   2           HA       SER   2 -16.216 -10.798   2.251
    8   1HB   SER   2          2HB       SER   2 -18.181  -9.430   1.580
    9    HG   SER   2           HG       SER   2 -17.582  -7.437   2.452
   10    H    SER   3           H        SER   3 -13.817  -9.715   2.195
   11    HA   SER   3           HA       SER   3 -12.324  -8.618   0.880
   12   1HB   SER   3          2HB       SER   3 -14.725  -7.579  -0.646
   13    HG   SER   3           HG       SER   3 -13.815  -9.989  -0.557
   14    H    GLY   4           H        GLY   4 -11.252  -6.731   1.175
   15   1HA   GLY   4          1HA       GLY   4 -12.102  -5.153   3.324
   16   2HA   GLY   4          2HA       GLY   4 -10.680  -4.855   2.343
   17    H    LYS   5           H        LYS   5 -10.676  -2.813   1.777
   18    HA   LYS   5           HA       LYS   5 -12.833  -1.632   0.284
   19   1HB   LYS   5          2HB       LYS   5 -13.458  -1.435   2.756
   20   1HG   LYS   5          2HG       LYS   5 -13.054   1.146   1.262
   21   1HD   LYS   5          2HD       LYS   5 -14.813   0.472   3.614
   22   1HE   LYS   5          2HE       LYS   5 -14.486   3.040   2.065
   23   1HZ   LYS   5          1HZ       LYS   5 -15.483   2.491   4.710
   24   2HZ   LYS   5          2HZ       LYS   5 -16.583   3.342   3.739
   25   3HZ   LYS   5          3HZ       LYS   5 -15.026   3.965   4.004
   26    H    ARG   6           H        ARG   6 -12.157   0.702  -0.260
   27    HA   ARG   6           HA       ARG   6  -9.600   0.438  -1.380
   28   1HB   ARG   6          2HB       ARG   6 -11.559   1.483  -2.475
   29   1HG   ARG   6          2HG       ARG   6 -10.416   3.279  -3.630
   30   1HD   ARG   6          2HD       ARG   6  -8.432   2.074  -4.382
   31    HE   ARG   6           HE       ARG   6 -10.963   0.865  -4.347
   32   1HH1  ARG   6          2HH1      ARG   6  -7.602  -0.054  -4.784
   33   2HH1  ARG   6          1HH1      ARG   6  -7.977  -1.410  -5.799
   34   1HH2  ARG   6          2HH2      ARG   6 -11.447  -0.907  -5.684
   35   2HH2  ARG   6          1HH2      ARG   6 -10.165  -1.893  -6.323
   36    HA   PRO   7           HA       PRO   7  -8.408   4.221   1.577
   37   1HB   PRO   7          2HB       PRO   7  -8.849   3.598   4.189
   38   1HG   PRO   7          2HG       PRO   7  -9.973   1.570   3.763
   39   1HD   PRO   7          2HD       PRO   7 -11.185   1.242   1.785
   40    H    PHE   8           H        PHE   8  -7.879   0.926   1.534
   41    HA   PHE   8           HA       PHE   8  -5.731   0.751   3.428
   42   1HB   PHE   8          2HB       PHE   8  -6.525  -1.108   1.182
   43    HD1  PHE   8           1HD      PHE   8  -8.284   0.329   3.500
   44    HD2  PHE   8           2HD      PHE   8  -6.605  -3.516   2.833
   45    HE1  PHE   8           1HE      PHE   8 -10.085  -0.683   4.840
   46    HE2  PHE   8           2HE      PHE   8  -8.388  -4.547   4.164
   47    HZ   PHE   8           HZ       PHE   8 -10.138  -3.116   5.180
   48    H    VAL   9           H        VAL   9  -5.030   2.888   1.983
   49    HA   VAL   9           HA       VAL   9  -3.513   2.212  -0.348
   50    HB   VAL   9           HB       VAL   9  -4.607   4.455   0.038
   51   1HG1  VAL   9          1HG1      VAL   9  -3.826   4.740   2.367
   52   2HG1  VAL   9          2HG1      VAL   9  -2.191   4.987   1.747
   53   3HG1  VAL   9          3HG1      VAL   9  -3.476   6.126   1.333
   54   1HG2  VAL   9          1HG2      VAL   9  -1.960   5.370  -0.539
   55   2HG2  VAL   9          2HG2      VAL   9  -2.225   3.793  -1.286
   56   3HG2  VAL   9          3HG2      VAL   9  -3.322   5.129  -1.633
   57    H    CYS  10           H        CYS  10  -1.343   1.995  -0.577
   58    HA   CYS  10           HA       CYS  10   0.129   0.912   1.512
   59   1HB   CYS  10          2HB       CYS  10   0.626   0.433  -0.797
   60    H    ARG  11           H        ARG  11   1.483   1.674   2.954
   61    HA   ARG  11           HA       ARG  11   1.543   4.422   3.628
   62   1HB   ARG  11          2HB       ARG  11   3.133   3.725   5.381
   63   1HG   ARG  11          2HG       ARG  11   2.922   0.977   4.163
   64   1HD   ARG  11          2HD       ARG  11   2.992   0.921   6.585
   65    HE   ARG  11           HE       ARG  11   4.720   3.084   6.456
   66   1HH1  ARG  11          2HH1      ARG  11   4.628  -0.045   8.020
   67   2HH1  ARG  11          1HH1      ARG  11   5.516   0.490   9.417
   68   1HH2  ARG  11          2HH2      ARG  11   5.847   3.796   8.292
   69   2HH2  ARG  11          1HH2      ARG  11   6.168   2.687   9.599
   70    H    ILE  12           H        ILE  12   3.824   2.250   2.006
   71    HA   ILE  12           HA       ILE  12   5.949   4.153   2.118
   72    HB   ILE  12           HB       ILE  12   5.783   1.656   0.428
   73   1HG1  ILE  12          2HG1      ILE  12   5.493   1.137   2.809
   74   1HG2  ILE  12          1HG2      ILE  12   7.524   3.555  -0.010
   75   2HG2  ILE  12          2HG2      ILE  12   8.316   2.887   1.417
   76   3HG2  ILE  12          3HG2      ILE  12   8.036   1.868   0.003
   77   1HD1  ILE  12          1HD1      ILE  12   6.419   2.410   4.362
   78   2HD1  ILE  12          2HD1      ILE  12   7.962   1.653   3.960
   79   3HD1  ILE  12          3HD1      ILE  12   7.496   3.170   3.190
   80    H    CYS  13           H        CYS  13   3.958   2.899  -0.581
   81    HA   CYS  13           HA       CYS  13   4.803   5.277  -2.070
   82   1HB   CYS  13          2HB       CYS  13   4.049   4.213  -4.127
   83    H    LEU  14           H        LEU  14   2.040   4.146  -3.442
   84    HA   LEU  14           HA       LEU  14   0.091   5.254  -1.671
   85   1HB   LEU  14          2HB       LEU  14   0.865   6.778  -4.144
   86    HG   LEU  14           HG       LEU  14   1.787   7.636  -2.008
   87   1HD1  LEU  14          1HD1      LEU  14  -0.225   9.224  -3.564
   88   2HD1  LEU  14          2HD1      LEU  14   0.694   9.954  -2.247
   89   3HD1  LEU  14          3HD1      LEU  14   1.536   9.282  -3.643
   90   1HD2  LEU  14          1HD2      LEU  14  -0.605   8.772  -0.951
   91   2HD2  LEU  14          2HD2      LEU  14  -0.808   7.022  -1.072
   92   3HD2  LEU  14          3HD2      LEU  14   0.550   7.695  -0.165
   93    H    SER  15           H        SER  15   0.600   2.785  -3.015
   94    HA   SER  15           HA       SER  15  -1.423   2.580  -5.087
   95   1HB   SER  15          2HB       SER  15   0.199   0.431  -3.695
   96    HG   SER  15           HG       SER  15   1.657   1.614  -4.805
   97    H    ALA  16           H        ALA  16  -3.516   2.197  -4.667
   98    HA   ALA  16           HA       ALA  16  -4.315   1.599  -1.930
   99   1HB   ALA  16          1HB       ALA  16  -6.266   2.628  -2.399
  100   2HB   ALA  16          2HB       ALA  16  -5.354   3.298  -3.753
  101   3HB   ALA  16          3HB       ALA  16  -6.394   1.892  -3.996
  102    H    PHE  17           H        PHE  17  -5.126  -0.335  -1.256
  103    HA   PHE  17           HA       PHE  17  -5.790  -2.335  -3.313
  104   1HB   PHE  17          2HB       PHE  17  -4.272  -2.878  -0.754
  105    HD1  PHE  17           1HD      PHE  17  -2.664  -1.092  -1.735
  106    HD2  PHE  17           2HD      PHE  17  -3.447  -4.859  -3.545
  107    HE1  PHE  17           1HE      PHE  17  -0.574  -0.914  -3.016
  108    HE2  PHE  17           2HE      PHE  17  -1.359  -4.687  -4.825
  109    HZ   PHE  17           HZ       PHE  17   0.086  -2.711  -4.559
  110    H    THR  18           H        THR  18  -7.470  -3.744  -2.809
  111    HA   THR  18           HA       THR  18  -9.484  -2.670  -1.156
  112    HB   THR  18           HB       THR  18 -10.694  -4.818  -1.663
  113    HG1  THR  18           1HG      THR  18  -9.539  -6.073  -3.386
  114   1HG2  THR  18          1HG2      THR  18 -10.710  -4.399  -4.177
  115   2HG2  THR  18          2HG2      THR  18  -9.495  -3.159  -3.871
  116   3HG2  THR  18          3HG2      THR  18 -11.097  -3.022  -3.145
  117    H    THR  19           H        THR  19  -7.754  -5.783  -0.842
  118    HA   THR  19           HA       THR  19  -8.578  -5.895   1.961
  119    HB   THR  19           HB       THR  19  -7.782  -8.219   1.932
  120    HG1  THR  19           1HG      THR  19  -7.471  -8.620  -0.695
  121   1HG2  THR  19          1HG2      THR  19  -9.794  -7.237  -0.020
  122   2HG2  THR  19          2HG2      THR  19  -9.999  -8.282   1.387
  123   3HG2  THR  19          3HG2      THR  19  -9.333  -8.939  -0.110
  124    H    LYS  20           H        LYS  20  -7.126  -6.301   3.623
  125    HA   LYS  20           HA       LYS  20  -4.649  -4.952   3.628
  126   1HB   LYS  20          2HB       LYS  20  -5.810  -7.088   5.410
  127   1HG   LYS  20          2HG       LYS  20  -5.199  -4.206   5.893
  128   1HD   LYS  20          2HD       LYS  20  -6.664  -6.208   7.606
  129   1HE   LYS  20          2HE       LYS  20  -7.499  -3.908   7.831
  130   1HZ   LYS  20          1HZ       LYS  20  -4.675  -3.281   8.514
  131   2HZ   LYS  20          2HZ       LYS  20  -5.983  -2.242   8.804
  132   3HZ   LYS  20          3HZ       LYS  20  -5.566  -2.656   7.213
  133    H    ALA  21           H        ALA  21  -5.609  -8.231   2.966
  134    HA   ALA  21           HA       ALA  21  -3.144  -9.446   3.082
  135   1HB   ALA  21          1HB       ALA  21  -4.595 -10.717   1.013
  136   2HB   ALA  21          2HB       ALA  21  -4.453 -11.201   2.704
  137   3HB   ALA  21          3HB       ALA  21  -5.766 -10.137   2.198
  138    H    ASN  22           H        ASN  22  -4.684  -7.727   0.377
  139    HA   ASN  22           HA       ASN  22  -2.645  -8.313  -1.531
  140   1HB   ASN  22          2HB       ASN  22  -4.538  -5.957  -1.423
  141   1HD2  ASN  22          1HD2      ASN  22  -6.507  -6.335  -2.087
  142   2HD2  ASN  22          2HD2      ASN  22  -7.063  -7.784  -2.840
  143    H    CYS  23           H        CYS  23  -3.135  -5.662   0.748
  144    HA   CYS  23           HA       CYS  23  -0.920  -4.113  -0.023
  145   1HB   CYS  23          2HB       CYS  23  -2.749  -3.274   1.403
  146    HG   CYS  23           HG       CYS  23  -1.284  -1.288   2.075
  147    H    ALA  24           H        ALA  24  -1.267  -6.778   2.269
  148    HA   ALA  24           HA       ALA  24   1.292  -6.659   3.418
  149   1HB   ALA  24          1HB       ALA  24  -0.095  -8.016   4.615
  150   2HB   ALA  24          2HB       ALA  24  -0.816  -8.737   3.176
  151   3HB   ALA  24          3HB       ALA  24   0.796  -9.232   3.699
  152    H    ARG  25           H        ARG  25   0.110  -8.599   0.658
  153    HA   ARG  25           HA       ARG  25   2.649  -9.756   0.123
  154   1HB   ARG  25          2HB       ARG  25   1.712 -10.573  -1.942
  155   1HG   ARG  25          2HG       ARG  25  -0.662  -8.791  -1.466
  156   1HD   ARG  25          2HD       ARG  25  -0.058 -10.839  -3.591
  157    HE   ARG  25           HE       ARG  25  -1.627  -8.556  -3.882
  158   1HH1  ARG  25          2HH1      ARG  25  -1.966 -12.025  -4.228
  159   2HH1  ARG  25          1HH1      ARG  25  -3.165 -11.913  -5.474
  160   1HH2  ARG  25          2HH2      ARG  25  -3.205  -8.399  -5.519
  161   2HH2  ARG  25          1HH2      ARG  25  -3.881  -9.847  -6.205
  162    H    HIS  26           H        HIS  26   1.103  -6.792  -0.796
  163    HA   HIS  26           HA       HIS  26   2.828  -6.045  -2.916
  164   1HB   HIS  26          2HB       HIS  26   0.750  -4.897  -2.708
  165    HD1  HIS  26           1HD      HIS  26   2.362  -3.580  -4.533
  166    HD2  HIS  26           2HD      HIS  26   2.291  -2.124  -0.630
  167    HE1  HIS  26           1HE      HIS  26   3.420  -1.274  -4.593
  168    H    LEU  27           H        LEU  27   2.804  -5.274   0.539
  169    HA   LEU  27           HA       LEU  27   4.602  -3.301   0.676
  170   1HB   LEU  27          2HB       LEU  27   3.318  -4.197   2.574
  171    HG   LEU  27           HG       LEU  27   6.267  -4.018   3.205
  172   1HD1  LEU  27          1HD1      LEU  27   5.010  -1.718   4.056
  173   2HD1  LEU  27          2HD1      LEU  27   6.006  -1.889   2.610
  174   3HD1  LEU  27          3HD1      LEU  27   4.253  -2.051   2.497
  175   1HD2  LEU  27          1HD2      LEU  27   5.141  -3.223   5.452
  176   2HD2  LEU  27          2HD2      LEU  27   3.830  -4.265   4.899
  177   3HD2  LEU  27          3HD2      LEU  27   5.446  -4.931   5.138
  178    H    LYS  28           H        LYS  28   5.454  -6.705   0.546
  179    HA   LYS  28           HA       LYS  28   8.134  -6.548   1.171
  180   1HB   LYS  28          2HB       LYS  28   8.381  -8.699   0.019
  181   1HG   LYS  28          2HG       LYS  28   5.606  -8.159  -0.990
  182   1HD   LYS  28          2HD       LYS  28   5.672 -10.411  -0.058
  183   1HE   LYS  28          2HE       LYS  28   8.089 -10.778  -0.097
  184   1HZ   LYS  28          1HZ       LYS  28   9.248 -10.460  -1.930
  185   2HZ   LYS  28          2HZ       LYS  28   7.836 -10.142  -2.817
  186   3HZ   LYS  28          3HZ       LYS  28   8.424 -11.727  -2.701
  187    H    VAL  29           H        VAL  29   6.620  -5.588  -1.835
  188    HA   VAL  29           HA       VAL  29   8.841  -5.750  -3.549
  189    HB   VAL  29           HB       VAL  29   7.841  -4.055  -4.939
  190   1HG1  VAL  29          1HG1      VAL  29   5.409  -5.006  -4.960
  191   2HG1  VAL  29          2HG1      VAL  29   6.786  -6.017  -5.403
  192   3HG1  VAL  29          3HG1      VAL  29   6.079  -6.145  -3.794
  193   1HG2  VAL  29          1HG2      VAL  29   5.863  -3.528  -2.731
  194   2HG2  VAL  29          2HG2      VAL  29   7.194  -2.464  -3.184
  195   3HG2  VAL  29          3HG2      VAL  29   5.886  -2.777  -4.325
  196    H    HIS  30           H        HIS  30   7.967  -3.333  -1.147
  197    HA   HIS  30           HA       HIS  30   9.977  -1.458  -1.960
  198   1HB   HIS  30          2HB       HIS  30   8.333  -1.697   0.547
  199    HD1  HIS  30           1HD      HIS  30   8.687   0.694  -2.457
  200    HD2  HIS  30           2HD      HIS  30   5.823  -1.112  -0.042
  201    HE1  HIS  30           1HE      HIS  30   6.427   1.506  -3.279
  202    H    THR  31           H        THR  31  10.979  -4.073  -1.429
  203    HA   THR  31           HA       THR  31  13.212  -3.365   0.177
  204    HB   THR  31           HB       THR  31  12.935  -5.445   1.643
  205    HG1  THR  31           1HG      THR  31  10.436  -5.291   0.505
  206   1HG2  THR  31          1HG2      THR  31  10.953  -3.485   2.577
  207   2HG2  THR  31          2HG2      THR  31  12.577  -2.888   2.238
  208   3HG2  THR  31          3HG2      THR  31  12.340  -4.180   3.414
  209    H    ASP  32           H        ASP  32  11.370  -6.015  -1.330
  210    HA   ASP  32           HA       ASP  32  13.724  -7.526  -2.015
  211   1HB   ASP  32          2HB       ASP  32  10.877  -7.728  -3.016
  212    H    THR  33           H        THR  33  11.317  -5.796  -3.988
  213    HA   THR  33           HA       THR  33  13.300  -4.575  -5.619
  214    HB   THR  33           HB       THR  33  13.409  -6.754  -6.685
  215    HG1  THR  33           1HG      THR  33  13.581  -5.520  -8.397
  216   1HG2  THR  33          1HG2      THR  33  11.576  -7.954  -7.517
  217   2HG2  THR  33          2HG2      THR  33  10.491  -6.570  -7.384
  218   3HG2  THR  33          3HG2      THR  33  11.044  -7.400  -5.929
  219    H    LEU  34           H        LEU  34  12.492  -2.751  -6.492
  220    HA   LEU  34           HA       LEU  34   9.609  -2.496  -6.868
  221   1HB   LEU  34          2HB       LEU  34   9.459  -0.417  -5.618
  222    HG   LEU  34           HG       LEU  34  11.855   0.343  -5.702
  223   1HD1  LEU  34          1HD1      LEU  34  11.794   0.947  -3.134
  224   2HD1  LEU  34          2HD1      LEU  34  10.641   1.645  -4.274
  225   3HD1  LEU  34          3HD1      LEU  34  10.163   0.282  -3.259
  226   1HD2  LEU  34          1HD2      LEU  34  12.281  -2.143  -4.370
  227   2HD2  LEU  34          2HD2      LEU  34  13.472  -0.953  -4.894
  228   3HD2  LEU  34          3HD2      LEU  34  12.753  -0.834  -3.288
  229    H    SER  35           H        SER  35  11.449  -2.783  -8.791
  230    HA   SER  35           HA       SER  35  12.324  -0.251  -9.829
  231   1HB   SER  35          2HB       SER  35  12.115  -2.946 -11.202
  232    HG   SER  35           HG       SER  35  13.691  -2.230  -9.211
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -10.781  -6.957  11.815
    2   2H    GLY   1          2H        GLY   1 -11.598  -8.426  12.030
    3   3H    GLY   1          3H        GLY   1 -12.356  -7.153  11.211
    4   1HA   GLY   1          2HA       GLY   1  -9.815  -8.118  10.151
    5   2HA   GLY   1          1HA       GLY   1 -11.223  -9.151   9.946
    6    H    SER   2           H        SER   2 -10.750  -5.607   9.803
    7    HA   SER   2           HA       SER   2 -12.596  -5.162   7.762
    8   1HB   SER   2          2HB       SER   2 -10.115  -3.564   8.444
    9    HG   SER   2           HG       SER   2 -12.813  -3.314   9.311
   10    H    SER   3           H        SER   3 -12.582  -5.487   5.643
   11    HA   SER   3           HA       SER   3 -10.300  -5.396   3.967
   12   1HB   SER   3          2HB       SER   3  -9.827  -7.526   5.172
   13    HG   SER   3           HG       SER   3 -10.408  -8.713   2.856
   14    H    GLY   4           H        GLY   4 -10.966  -5.188   1.861
   15   1HA   GLY   4          1HA       GLY   4 -12.598  -6.090   0.174
   16   2HA   GLY   4          2HA       GLY   4 -13.841  -5.710   1.353
   17    H    LYS   5           H        LYS   5 -13.413  -3.243   2.179
   18    HA   LYS   5           HA       LYS   5 -13.948  -1.608  -0.116
   19   1HB   LYS   5          2HB       LYS   5 -14.036   0.273   1.515
   20   1HG   LYS   5          2HG       LYS   5 -13.602  -1.822   3.629
   21   1HD   LYS   5          2HD       LYS   5 -13.721   0.057   5.161
   22   1HE   LYS   5          2HE       LYS   5 -16.071   0.692   4.916
   23   1HZ   LYS   5          1HZ       LYS   5 -17.005  -1.592   4.661
   24   2HZ   LYS   5          2HZ       LYS   5 -15.774  -1.442   5.821
   25   3HZ   LYS   5          3HZ       LYS   5 -15.435  -2.136   4.308
   26    H    ARG   6           H        ARG   6 -12.688   0.149  -0.916
   27    HA   ARG   6           HA       ARG   6  -9.866  -0.524  -0.715
   28   1HB   ARG   6          2HB       ARG   6 -11.268   1.267  -2.683
   29   1HG   ARG   6          2HG       ARG   6 -10.491  -1.627  -2.911
   30   1HD   ARG   6          2HD       ARG   6 -11.556   0.298  -4.972
   31    HE   ARG   6           HE       ARG   6 -11.998  -2.420  -4.911
   32   1HH1  ARG   6          2HH1      ARG   6 -10.355  -0.191  -7.060
   33   2HH1  ARG   6          1HH1      ARG   6 -10.715  -1.111  -8.483
   34   1HH2  ARG   6          2HH2      ARG   6 -12.502  -3.603  -6.762
   35   2HH2  ARG   6          1HH2      ARG   6 -11.950  -3.054  -8.324
   36    HA   PRO   7           HA       PRO   7  -9.502   3.934   0.799
   37   1HB   PRO   7          2HB       PRO   7  -9.851   3.995   3.435
   38   1HG   PRO   7          2HG       PRO   7 -10.395   1.824   3.948
   39   1HD   PRO   7          2HD       PRO   7 -10.592   0.338   2.248
   40    H    PHE   8           H        PHE   8  -8.440   0.915   1.252
   41    HA   PHE   8           HA       PHE   8  -6.273   1.275   3.102
   42   1HB   PHE   8          2HB       PHE   8  -6.714  -0.874   1.005
   43    HD1  PHE   8           1HD      PHE   8  -6.674  -3.207   2.617
   44    HD2  PHE   8           2HD      PHE   8  -8.682   0.470   3.332
   45    HE1  PHE   8           1HE      PHE   8  -8.335  -4.391   3.976
   46    HE2  PHE   8           2HE      PHE   8 -10.356  -0.708   4.697
   47    HZ   PHE   8           HZ       PHE   8 -10.185  -3.143   5.023
   48    H    VAL   9           H        VAL   9  -4.268   2.079   2.577
   49    HA   VAL   9           HA       VAL   9  -3.436   2.026  -0.206
   50    HB   VAL   9           HB       VAL   9  -4.671   4.159   0.335
   51   1HG1  VAL   9          1HG1      VAL   9  -2.634   4.309   2.368
   52   2HG1  VAL   9          2HG1      VAL   9  -2.664   5.749   1.350
   53   3HG1  VAL   9          3HG1      VAL   9  -4.127   5.233   2.188
   54   1HG2  VAL   9          1HG2      VAL   9  -3.565   5.118  -1.358
   55   2HG2  VAL   9          2HG2      VAL   9  -2.029   5.086  -0.491
   56   3HG2  VAL   9          3HG2      VAL   9  -2.589   3.648  -1.344
   57    H    CYS  10           H        CYS  10  -1.304   1.848  -0.479
   58    HA   CYS  10           HA       CYS  10   0.247   0.815   1.566
   59   1HB   CYS  10          2HB       CYS  10   0.651   0.346  -0.772
   60    H    ARG  11           H        ARG  11   1.606   1.619   2.995
   61    HA   ARG  11           HA       ARG  11   1.624   4.421   3.508
   62   1HB   ARG  11          2HB       ARG  11   3.057   3.838   5.427
   63   1HG   ARG  11          2HG       ARG  11   2.887   1.020   4.386
   64   1HD   ARG  11          2HD       ARG  11   2.552   1.147   6.802
   65    HE   ARG  11           HE       ARG  11   4.593   3.121   6.753
   66   1HH1  ARG  11          2HH1      ARG  11   3.255   0.529   8.690
   67   2HH1  ARG  11          1HH1      ARG  11   3.896   1.144  10.189
   68   1HH2  ARG  11          2HH2      ARG  11   5.434   3.943   8.727
   69   2HH2  ARG  11          1HH2      ARG  11   5.083   3.108  10.213
   70    H    ILE  12           H        ILE  12   3.837   2.144   2.030
   71    HA   ILE  12           HA       ILE  12   6.070   3.940   2.118
   72    HB   ILE  12           HB       ILE  12   5.748   1.489   0.386
   73   1HG1  ILE  12          2HG1      ILE  12   5.503   0.956   2.796
   74   1HG2  ILE  12          1HG2      ILE  12   7.564   2.505  -0.530
   75   2HG2  ILE  12          2HG2      ILE  12   7.949   3.396   0.943
   76   3HG2  ILE  12          3HG2      ILE  12   8.373   1.691   0.809
   77   1HD1  ILE  12          1HD1      ILE  12   6.617   2.145   4.293
   78   2HD1  ILE  12          2HD1      ILE  12   8.032   1.194   3.842
   79   3HD1  ILE  12          3HD1      ILE  12   7.746   2.760   3.084
   80    H    CYS  13           H        CYS  13   3.905   2.801  -0.503
   81    HA   CYS  13           HA       CYS  13   4.739   5.204  -1.959
   82   1HB   CYS  13          2HB       CYS  13   3.990   4.219  -4.049
   83    H    LEU  14           H        LEU  14   1.990   4.121  -3.364
   84    HA   LEU  14           HA       LEU  14   0.037   5.111  -1.524
   85   1HB   LEU  14          2HB       LEU  14   0.796   6.785  -3.913
   86    HG   LEU  14           HG       LEU  14   1.784   7.512  -1.760
   87   1HD1  LEU  14          1HD1      LEU  14   0.385   9.812  -1.827
   88   2HD1  LEU  14          2HD1      LEU  14   1.617   9.382  -3.015
   89   3HD1  LEU  14          3HD1      LEU  14  -0.088   9.116  -3.376
   90   1HD2  LEU  14          1HD2      LEU  14  -0.792   6.842  -0.791
   91   2HD2  LEU  14          2HD2      LEU  14   0.598   7.436   0.119
   92   3HD2  LEU  14          3HD2      LEU  14  -0.569   8.577  -0.553
   93    H    SER  15           H        SER  15   0.442   2.703  -2.845
   94    HA   SER  15           HA       SER  15  -1.535   2.603  -4.980
   95   1HB   SER  15          2HB       SER  15   0.047   0.383  -3.659
   96    HG   SER  15           HG       SER  15   1.464   1.674  -4.761
   97    H    ALA  16           H        ALA  16  -3.643   2.234  -4.597
   98    HA   ALA  16           HA       ALA  16  -4.472   1.558  -1.884
   99   1HB   ALA  16          1HB       ALA  16  -6.590   1.895  -3.870
  100   2HB   ALA  16          2HB       ALA  16  -6.368   2.679  -2.305
  101   3HB   ALA  16          3HB       ALA  16  -5.518   3.287  -3.728
  102    H    PHE  17           H        PHE  17  -5.500  -0.327  -1.304
  103    HA   PHE  17           HA       PHE  17  -6.076  -2.272  -3.425
  104   1HB   PHE  17          2HB       PHE  17  -4.606  -2.965  -0.870
  105    HD1  PHE  17           1HD      PHE  17  -3.782  -4.790  -3.776
  106    HD2  PHE  17           2HD      PHE  17  -2.889  -1.207  -1.660
  107    HE1  PHE  17           1HE      PHE  17  -1.610  -4.660  -4.924
  108    HE2  PHE  17           2HE      PHE  17  -0.725  -1.064  -2.813
  109    HZ   PHE  17           HZ       PHE  17  -0.082  -2.789  -4.444
  110    H    THR  18           H        THR  18  -7.723  -3.723  -2.974
  111    HA   THR  18           HA       THR  18  -9.841  -2.820  -1.375
  112    HB   THR  18           HB       THR  18 -10.785  -5.118  -1.757
  113    HG1  THR  18           1HG      THR  18  -9.263  -6.096  -3.595
  114   1HG2  THR  18          1HG2      THR  18 -10.298  -3.044  -3.605
  115   2HG2  THR  18          2HG2      THR  18 -11.584  -4.251  -3.639
  116   3HG2  THR  18          3HG2      THR  18 -10.058  -4.568  -4.462
  117    H    THR  19           H        THR  19  -7.462  -5.367  -0.864
  118    HA   THR  19           HA       THR  19  -8.499  -5.708   1.855
  119    HB   THR  19           HB       THR  19  -7.743  -8.024   1.730
  120    HG1  THR  19           1HG      THR  19  -6.976  -8.784  -0.372
  121   1HG2  THR  19          1HG2      THR  19  -9.735  -8.504   0.852
  122   2HG2  THR  19          2HG2      THR  19  -9.104  -8.208  -0.768
  123   3HG2  THR  19          3HG2      THR  19  -9.815  -6.886   0.155
  124    H    LYS  20           H        LYS  20  -7.110  -5.990   3.552
  125    HA   LYS  20           HA       LYS  20  -4.575  -4.748   3.580
  126   1HB   LYS  20          2HB       LYS  20  -5.782  -6.837   5.404
  127   1HG   LYS  20          2HG       LYS  20  -5.414  -3.907   5.781
  128   1HD   LYS  20          2HD       LYS  20  -6.811  -5.969   7.468
  129   1HE   LYS  20          2HE       LYS  20  -7.972  -3.804   7.483
  130   1HZ   LYS  20          1HZ       LYS  20  -6.535  -2.065   8.828
  131   2HZ   LYS  20          2HZ       LYS  20  -6.550  -2.086   7.132
  132   3HZ   LYS  20          3HZ       LYS  20  -5.269  -2.806   7.978
  133    H    ALA  21           H        ALA  21  -5.726  -7.934   2.967
  134    HA   ALA  21           HA       ALA  21  -3.434  -9.394   3.226
  135   1HB   ALA  21          1HB       ALA  21  -5.062 -10.897   2.879
  136   2HB   ALA  21          2HB       ALA  21  -6.054  -9.722   2.008
  137   3HB   ALA  21          3HB       ALA  21  -4.802 -10.628   1.154
  138    H    ASN  22           H        ASN  22  -4.670  -7.684   0.356
  139    HA   ASN  22           HA       ASN  22  -2.526  -8.402  -1.378
  140   1HB   ASN  22          2HB       ASN  22  -4.508  -6.140  -1.427
  141   1HD2  ASN  22          1HD2      ASN  22  -6.344  -6.884  -2.167
  142   2HD2  ASN  22          2HD2      ASN  22  -6.543  -8.157  -3.316
  143    H    CYS  23           H        CYS  23  -3.086  -5.633   0.755
  144    HA   CYS  23           HA       CYS  23  -0.829  -4.141   0.057
  145   1HB   CYS  23          2HB       CYS  23  -2.673  -3.258   1.439
  146    HG   CYS  23           HG       CYS  23   0.144  -2.174   1.579
  147    H    ALA  24           H        ALA  24  -1.223  -6.775   2.367
  148    HA   ALA  24           HA       ALA  24   1.283  -6.629   3.602
  149   1HB   ALA  24          1HB       ALA  24  -0.474  -9.032   3.117
  150   2HB   ALA  24          2HB       ALA  24   0.885  -8.972   4.240
  151   3HB   ALA  24          3HB       ALA  24  -0.528  -7.953   4.510
  152    H    ARG  25           H        ARG  25   0.252  -8.610   0.800
  153    HA   ARG  25           HA       ARG  25   2.880  -9.642   0.427
  154   1HB   ARG  25          2HB       ARG  25   2.016 -10.613  -1.682
  155   1HG   ARG  25          2HG       ARG  25  -0.484 -10.656  -1.951
  156   1HD   ARG  25          2HD       ARG  25   0.839  -8.029  -2.596
  157    HE   ARG  25           HE       ARG  25  -1.737  -8.956  -3.218
  158   1HH1  ARG  25          2HH1      ARG  25   1.051  -7.537  -4.808
  159   2HH1  ARG  25          1HH1      ARG  25   0.112  -6.813  -6.073
  160   1HH2  ARG  25          2HH2      ARG  25  -2.970  -7.989  -4.874
  161   2HH2  ARG  25          1HH2      ARG  25  -2.179  -7.067  -6.113
  162    H    HIS  26           H        HIS  26   1.170  -6.900  -0.827
  163    HA   HIS  26           HA       HIS  26   2.856  -6.165  -2.956
  164   1HB   HIS  26          2HB       HIS  26   0.775  -5.022  -2.714
  165    HD1  HIS  26           1HD      HIS  26   2.339  -3.705  -4.591
  166    HD2  HIS  26           2HD      HIS  26   2.333  -2.226  -0.700
  167    HE1  HIS  26           1HE      HIS  26   3.372  -1.377  -4.687
  168    H    LEU  27           H        LEU  27   3.002  -5.521   0.500
  169    HA   LEU  27           HA       LEU  27   4.753  -3.487   0.630
  170   1HB   LEU  27          2HB       LEU  27   3.554  -4.465   2.536
  171    HG   LEU  27           HG       LEU  27   6.523  -4.269   3.075
  172   1HD1  LEU  27          1HD1      LEU  27   4.400  -2.157   3.390
  173   2HD1  LEU  27          2HD1      LEU  27   6.144  -1.968   3.571
  174   3HD1  LEU  27          3HD1      LEU  27   5.451  -2.286   1.980
  175   1HD2  LEU  27          1HD2      LEU  27   4.948  -5.381   4.803
  176   2HD2  LEU  27          2HD2      LEU  27   6.043  -4.106   5.341
  177   3HD2  LEU  27          3HD2      LEU  27   4.341  -3.745   5.057
  178    H    LYS  28           H        LYS  28   5.677  -6.871   0.210
  179    HA   LYS  28           HA       LYS  28   8.340  -6.749   0.874
  180   1HB   LYS  28          2HB       LYS  28   8.718  -8.675  -0.563
  181   1HG   LYS  28          2HG       LYS  28   5.903  -8.355  -1.573
  182   1HD   LYS  28          2HD       LYS  28   6.733 -10.664  -1.379
  183   1HE   LYS  28          2HE       LYS  28   8.902  -9.695  -3.234
  184   1HZ   LYS  28          1HZ       LYS  28   7.787 -12.201  -3.119
  185   2HZ   LYS  28          2HZ       LYS  28   9.215 -12.324  -2.213
  186   3HZ   LYS  28          3HZ       LYS  28   9.275 -11.777  -3.814
  187    H    VAL  29           H        VAL  29   6.888  -5.672  -2.159
  188    HA   VAL  29           HA       VAL  29   9.150  -5.568  -3.736
  189    HB   VAL  29           HB       VAL  29   8.086  -3.855  -5.076
  190   1HG1  VAL  29          1HG1      VAL  29   6.339  -6.048  -4.037
  191   2HG1  VAL  29          2HG1      VAL  29   5.766  -4.945  -5.289
  192   3HG1  VAL  29          3HG1      VAL  29   7.199  -5.936  -5.573
  193   1HG2  VAL  29          1HG2      VAL  29   7.158  -2.220  -3.791
  194   2HG2  VAL  29          2HG2      VAL  29   5.704  -3.143  -4.163
  195   3HG2  VAL  29          3HG2      VAL  29   6.509  -3.357  -2.609
  196    H    HIS  30           H        HIS  30   8.110  -3.302  -1.252
  197    HA   HIS  30           HA       HIS  30  10.165  -1.376  -1.869
  198   1HB   HIS  30          2HB       HIS  30   8.355  -1.613   0.534
  199    HD1  HIS  30           1HD      HIS  30   8.701   0.746  -2.492
  200    HD2  HIS  30           2HD      HIS  30   5.853  -1.211  -0.169
  201    HE1  HIS  30           1HE      HIS  30   6.418   1.471  -3.363
  202    H    THR  31           H        THR  31  10.905  -4.217  -1.035
  203    HA   THR  31           HA       THR  31  13.218  -3.563   0.422
  204    HB   THR  31           HB       THR  31  11.692  -3.269   2.321
  205    HG1  THR  31           1HG      THR  31  13.274  -5.639   2.480
  206   1HG2  THR  31          1HG2      THR  31  10.858  -5.813   3.025
  207   2HG2  THR  31          2HG2      THR  31  10.525  -5.722   1.295
  208   3HG2  THR  31          3HG2      THR  31   9.843  -4.518   2.388
  209    H    ASP  32           H        ASP  32  12.314  -5.066  -1.856
  210    HA   ASP  32           HA       ASP  32  14.010  -7.318  -1.639
  211   1HB   ASP  32          2HB       ASP  32  11.988  -8.238  -0.474
  212    H    THR  33           H        THR  33  14.753  -7.745  -3.660
  213    HA   THR  33           HA       THR  33  13.660  -6.272  -5.889
  214    HB   THR  33           HB       THR  33  15.910  -8.303  -5.834
  215    HG1  THR  33           1HG      THR  33  15.914  -6.094  -4.603
  216   1HG2  THR  33          1HG2      THR  33  15.693  -8.116  -8.069
  217   2HG2  THR  33          2HG2      THR  33  16.461  -6.545  -7.845
  218   3HG2  THR  33          3HG2      THR  33  14.704  -6.663  -7.951
  219    H    LEU  34           H        LEU  34  12.314  -7.042  -7.428
  220    HA   LEU  34           HA       LEU  34  11.078  -9.576  -6.938
  221   1HB   LEU  34          2HB       LEU  34  10.623  -7.537  -9.119
  222    HG   LEU  34           HG       LEU  34   8.967  -8.218  -6.688
  223   1HD1  LEU  34          1HD1      LEU  34  10.848  -6.623  -6.351
  224   2HD1  LEU  34          2HD1      LEU  34  10.093  -5.561  -7.538
  225   3HD1  LEU  34          3HD1      LEU  34   9.253  -5.945  -6.036
  226   1HD2  LEU  34          1HD2      LEU  34   8.274  -6.387  -8.977
  227   2HD2  LEU  34          2HD2      LEU  34   7.575  -7.983  -8.696
  228   3HD2  LEU  34          3HD2      LEU  34   7.306  -6.684  -7.534
  229    H    SER  35           H        SER  35  12.938  -8.267  -9.679
  230    HA   SER  35           HA       SER  35  12.968 -10.817 -11.005
  231   1HB   SER  35          2HB       SER  35  14.499  -8.275 -11.592
  232    HG   SER  35           HG       SER  35  11.920  -8.992 -11.967
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1 -13.308  -9.687  10.669
    2   2H    GLY   1          2H        GLY   1 -13.046  -8.070  11.103
    3   3H    GLY   1          3H        GLY   1 -13.347  -9.232  12.301
    4   1HA   GLY   1          2HA       GLY   1 -11.067  -8.931  12.428
    5   2HA   GLY   1          1HA       GLY   1 -11.265 -10.394  11.471
    6    H    SER   2           H        SER   2 -11.969  -9.404   9.027
    7    HA   SER   2           HA       SER   2 -10.311  -7.276   8.141
    8   1HB   SER   2          2HB       SER   2  -8.530  -8.934   8.551
    9    HG   SER   2           HG       SER   2  -7.963  -9.179   6.155
   10    H    SER   3           H        SER   3 -11.003  -6.588   6.203
   11    HA   SER   3           HA       SER   3 -12.285  -8.279   4.279
   12   1HB   SER   3          2HB       SER   3 -14.513  -7.153   4.444
   13    HG   SER   3           HG       SER   3 -13.540  -5.389   5.812
   14    H    GLY   4           H        GLY   4 -12.250  -7.355   2.320
   15   1HA   GLY   4          1HA       GLY   4 -10.585  -5.254   1.793
   16   2HA   GLY   4          2HA       GLY   4 -11.790  -5.845   0.667
   17    H    LYS   5           H        LYS   5 -10.664  -3.166   1.502
   18    HA   LYS   5           HA       LYS   5 -13.031  -1.629   1.116
   19   1HB   LYS   5          2HB       LYS   5 -12.980  -2.161   3.629
   20   1HG   LYS   5          2HG       LYS   5 -12.853   0.737   2.839
   21   1HD   LYS   5          2HD       LYS   5 -13.985  -0.596   5.285
   22   1HE   LYS   5          2HE       LYS   5 -13.856   2.313   4.504
   23   1HZ   LYS   5          1HZ       LYS   5 -13.649   1.599   6.960
   24   2HZ   LYS   5          2HZ       LYS   5 -15.298   1.234   6.829
   25   3HZ   LYS   5          3HZ       LYS   5 -14.754   2.816   6.548
   26    H    ARG   6           H        ARG   6 -12.400   0.537   0.513
   27    HA   ARG   6           HA       ARG   6 -10.045   0.335  -0.943
   28   1HB   ARG   6          2HB       ARG   6 -12.099   1.441  -1.715
   29   1HG   ARG   6          2HG       ARG   6 -11.115   3.293  -2.926
   30   1HD   ARG   6          2HD       ARG   6  -9.150   1.026  -2.610
   31    HE   ARG   6           HE       ARG   6  -9.067   3.234  -4.352
   32   1HH1  ARG   6          2HH1      ARG   6  -8.681  -0.247  -4.375
   33   2HH1  ARG   6          1HH1      ARG   6  -7.679  -0.255  -5.792
   34   1HH2  ARG   6          2HH2      ARG   6  -7.767   3.224  -6.216
   35   2HH2  ARG   6          1HH2      ARG   6  -7.142   1.725  -6.832
   36    HA   PRO   7           HA       PRO   7  -8.171   3.969   1.735
   37   1HB   PRO   7          2HB       PRO   7  -8.548   3.788   4.387
   38   1HG   PRO   7          2HG       PRO   7  -9.741   1.739   4.298
   39   1HD   PRO   7          2HD       PRO   7 -11.102   1.207   2.482
   40    H    PHE   8           H        PHE   8  -7.643   0.940   1.374
   41    HA   PHE   8           HA       PHE   8  -5.660   0.480   3.469
   42   1HB   PHE   8          2HB       PHE   8  -6.549  -1.260   1.164
   43    HD1  PHE   8           1HD      PHE   8  -8.187   0.214   3.525
   44    HD2  PHE   8           2HD      PHE   8  -6.752  -3.715   2.779
   45    HE1  PHE   8           1HE      PHE   8 -10.019  -0.701   4.872
   46    HE2  PHE   8           2HE      PHE   8  -8.583  -4.651   4.110
   47    HZ   PHE   8           HZ       PHE   8 -10.229  -3.123   5.176
   48    H    VAL   9           H        VAL   9  -4.944   2.647   2.086
   49    HA   VAL   9           HA       VAL   9  -3.427   2.049  -0.254
   50    HB   VAL   9           HB       VAL   9  -4.538   4.268   0.252
   51   1HG1  VAL   9          1HG1      VAL   9  -2.956   5.882   1.465
   52   2HG1  VAL   9          2HG1      VAL   9  -3.945   4.791   2.437
   53   3HG1  VAL   9          3HG1      VAL   9  -2.239   4.428   2.159
   54   1HG2  VAL   9          1HG2      VAL   9  -1.927   5.234  -0.384
   55   2HG2  VAL   9          2HG2      VAL   9  -2.180   3.670  -1.159
   56   3HG2  VAL   9          3HG2      VAL   9  -3.314   4.989  -1.445
   57    H    CYS  10           H        CYS  10  -1.241   1.952  -0.530
   58    HA   CYS  10           HA       CYS  10   0.304   0.777   1.463
   59   1HB   CYS  10          2HB       CYS  10   0.806   0.412  -0.840
   60    H    ARG  11           H        ARG  11   1.776   1.472   2.846
   61    HA   ARG  11           HA       ARG  11   1.747   4.160   3.754
   62   1HB   ARG  11          2HB       ARG  11   3.826   2.064   4.388
   63   1HG   ARG  11          2HG       ARG  11   1.167   2.482   5.721
   64   1HD   ARG  11          2HD       ARG  11   3.581   0.881   6.576
   65    HE   ARG  11           HE       ARG  11   1.347   0.890   8.362
   66   1HH1  ARG  11          2HH1      ARG  11   2.876  -0.807   5.714
   67   2HH1  ARG  11          1HH1      ARG  11   1.939  -2.257   5.924
   68   1HH2  ARG  11          2HH2      ARG  11   0.100  -1.019   8.637
   69   2HH2  ARG  11          1HH2      ARG  11   0.361  -2.374   7.583
   70    H    ILE  12           H        ILE  12   4.049   2.193   1.932
   71    HA   ILE  12           HA       ILE  12   6.047   4.195   2.018
   72    HB   ILE  12           HB       ILE  12   5.967   1.736   0.277
   73   1HG1  ILE  12          2HG1      ILE  12   5.734   1.152   2.637
   74   1HG2  ILE  12          1HG2      ILE  12   8.581   2.270   0.901
   75   2HG2  ILE  12          2HG2      ILE  12   7.782   2.678  -0.618
   76   3HG2  ILE  12          3HG2      ILE  12   7.902   3.882   0.666
   77   1HD1  ILE  12          1HD1      ILE  12   6.596   2.462   4.195
   78   2HD1  ILE  12          2HD1      ILE  12   8.159   1.748   3.796
   79   3HD1  ILE  12          3HD1      ILE  12   7.663   3.259   3.037
   80    H    CYS  13           H        CYS  13   4.058   2.924  -0.663
   81    HA   CYS  13           HA       CYS  13   4.758   5.382  -2.088
   82   1HB   CYS  13          2HB       CYS  13   3.939   4.381  -4.163
   83    H    LEU  14           H        LEU  14   1.998   4.268  -3.421
   84    HA   LEU  14           HA       LEU  14   0.084   5.093  -1.474
   85   1HB   LEU  14          2HB       LEU  14   0.624   6.901  -3.822
   86    HG   LEU  14           HG       LEU  14   1.660   7.628  -1.707
   87   1HD1  LEU  14          1HD1      LEU  14   0.398   9.858  -1.588
   88   2HD1  LEU  14          2HD1      LEU  14   1.112   9.395  -3.134
   89   3HD1  LEU  14          3HD1      LEU  14  -0.620   9.193  -2.867
   90   1HD2  LEU  14          1HD2      LEU  14  -1.141   7.894  -0.631
   91   2HD2  LEU  14          2HD2      LEU  14  -0.101   6.515  -0.269
   92   3HD2  LEU  14          3HD2      LEU  14   0.384   8.138   0.222
   93    H    SER  15           H        SER  15   0.645   2.799  -3.002
   94    HA   SER  15           HA       SER  15  -1.403   2.624  -5.044
   95   1HB   SER  15          2HB       SER  15   0.290   0.458  -3.766
   96    HG   SER  15           HG       SER  15   1.684   1.765  -4.852
   97    H    ALA  16           H        ALA  16  -3.490   2.211  -4.592
   98    HA   ALA  16           HA       ALA  16  -4.193   1.439  -1.871
   99   1HB   ALA  16          1HB       ALA  16  -6.513   1.955  -2.578
  100   2HB   ALA  16          2HB       ALA  16  -5.401   3.309  -2.780
  101   3HB   ALA  16          3HB       ALA  16  -5.898   2.360  -4.182
  102    H    PHE  17           H        PHE  17  -5.067  -0.489  -1.304
  103    HA   PHE  17           HA       PHE  17  -5.750  -2.385  -3.448
  104   1HB   PHE  17          2HB       PHE  17  -4.247  -3.096  -0.914
  105    HD1  PHE  17           1HD      PHE  17  -3.314  -4.967  -3.684
  106    HD2  PHE  17           2HD      PHE  17  -2.664  -1.178  -1.870
  107    HE1  PHE  17           1HE      PHE  17  -1.164  -4.778  -4.864
  108    HE2  PHE  17           2HE      PHE  17  -0.520  -0.976  -3.056
  109    HZ   PHE  17           HZ       PHE  17   0.233  -2.771  -4.551
  110    H    THR  18           H        THR  18  -7.508  -3.715  -3.017
  111    HA   THR  18           HA       THR  18  -9.447  -2.632  -1.309
  112    HB   THR  18           HB       THR  18 -10.733  -4.731  -1.791
  113    HG1  THR  18           1HG      THR  18  -9.519  -5.941  -3.619
  114   1HG2  THR  18          1HG2      THR  18 -11.399  -3.565  -3.572
  115   2HG2  THR  18          2HG2      THR  18 -10.019  -4.179  -4.483
  116   3HG2  THR  18          3HG2      THR  18  -9.875  -2.675  -3.573
  117    H    THR  19           H        THR  19  -7.829  -5.806  -0.985
  118    HA   THR  19           HA       THR  19  -8.703  -5.875   1.798
  119    HB   THR  19           HB       THR  19  -8.001  -8.230   1.784
  120    HG1  THR  19           1HG      THR  19  -7.492  -9.033  -0.467
  121   1HG2  THR  19          1HG2      THR  19  -9.647  -9.055   0.131
  122   2HG2  THR  19          2HG2      THR  19  -9.734  -7.433  -0.554
  123   3HG2  THR  19          3HG2      THR  19 -10.269  -7.720   1.102
  124    H    LYS  20           H        LYS  20  -7.349  -6.377   3.495
  125    HA   LYS  20           HA       LYS  20  -4.810  -5.160   3.692
  126   1HB   LYS  20          2HB       LYS  20  -6.052  -7.449   5.225
  127   1HG   LYS  20          2HG       LYS  20  -5.600  -4.629   6.063
  128   1HD   LYS  20          2HD       LYS  20  -7.101  -6.903   7.342
  129   1HE   LYS  20          2HE       LYS  20  -8.153  -4.702   7.745
  130   1HZ   LYS  20          1HZ       LYS  20  -6.819  -3.256   9.339
  131   2HZ   LYS  20          2HZ       LYS  20  -6.450  -3.145   7.687
  132   3HZ   LYS  20          3HZ       LYS  20  -5.446  -4.040   8.725
  133    H    ALA  21           H        ALA  21  -5.927  -8.333   2.854
  134    HA   ALA  21           HA       ALA  21  -3.589  -9.737   2.940
  135   1HB   ALA  21          1HB       ALA  21  -5.027 -10.818   0.795
  136   2HB   ALA  21          2HB       ALA  21  -5.118 -11.301   2.490
  137   3HB   ALA  21          3HB       ALA  21  -6.238 -10.091   1.857
  138    H    ASN  22           H        ASN  22  -4.931  -7.805   0.273
  139    HA   ASN  22           HA       ASN  22  -2.781  -8.416  -1.535
  140   1HB   ASN  22          2HB       ASN  22  -4.696  -6.071  -1.594
  141   1HD2  ASN  22          1HD2      ASN  22  -6.651  -6.462  -2.305
  142   2HD2  ASN  22          2HD2      ASN  22  -7.178  -7.907  -3.083
  143    H    CYS  23           H        CYS  23  -3.532  -5.759   0.656
  144    HA   CYS  23           HA       CYS  23  -1.450  -4.075  -0.104
  145   1HB   CYS  23          2HB       CYS  23  -3.400  -3.370   1.224
  146    HG   CYS  23           HG       CYS  23  -2.152  -1.199   1.755
  147    H    ALA  24           H        ALA  24  -1.583  -6.417   2.573
  148    HA   ALA  24           HA       ALA  24   0.909  -5.895   3.684
  149   1HB   ALA  24          1HB       ALA  24  -1.155  -7.620   4.222
  150   2HB   ALA  24          2HB       ALA  24   0.169  -8.711   3.808
  151   3HB   ALA  24          3HB       ALA  24   0.370  -7.530   5.104
  152    H    ARG  25           H        ARG  25   0.068  -8.223   1.141
  153    HA   ARG  25           HA       ARG  25   2.672  -9.320   0.954
  154   1HB   ARG  25          2HB       ARG  25   1.929 -10.396  -1.082
  155   1HG   ARG  25          2HG       ARG  25  -0.538  -8.679  -0.926
  156   1HD   ARG  25          2HD       ARG  25   0.243 -10.931  -2.765
  157    HE   ARG  25           HE       ARG  25  -1.452  -8.808  -3.380
  158   1HH1  ARG  25          2HH1      ARG  25  -1.629 -12.301  -3.182
  159   2HH1  ARG  25          1HH1      ARG  25  -2.707 -12.454  -4.545
  160   1HH2  ARG  25          2HH2      ARG  25  -2.878  -9.018  -5.193
  161   2HH2  ARG  25          1HH2      ARG  25  -3.419 -10.596  -5.663
  162    H    HIS  26           H        HIS  26   1.126  -6.576  -0.501
  163    HA   HIS  26           HA       HIS  26   2.810  -6.031  -2.653
  164   1HB   HIS  26          2HB       HIS  26   0.809  -4.782  -2.463
  165    HD1  HIS  26           1HD      HIS  26   2.423  -3.614  -4.392
  166    HD2  HIS  26           2HD      HIS  26   2.427  -1.936  -0.582
  167    HE1  HIS  26           1HE      HIS  26   3.525  -1.325  -4.595
  168    H    LEU  27           H        LEU  27   3.123  -5.179   0.762
  169    HA   LEU  27           HA       LEU  27   5.059  -3.313   0.723
  170   1HB   LEU  27          2HB       LEU  27   4.342  -5.427   2.655
  171    HG   LEU  27           HG       LEU  27   4.103  -3.555   4.228
  172   1HD1  LEU  27          1HD1      LEU  27   5.472  -2.125   2.075
  173   2HD1  LEU  27          2HD1      LEU  27   4.089  -1.269   2.757
  174   3HD1  LEU  27          3HD1      LEU  27   5.408  -1.791   3.806
  175   1HD2  LEU  27          1HD2      LEU  27   2.663  -3.151   1.616
  176   2HD2  LEU  27          2HD2      LEU  27   2.164  -4.206   2.938
  177   3HD2  LEU  27          3HD2      LEU  27   2.183  -2.456   3.164
  178    H    LYS  28           H        LYS  28   5.617  -6.741   0.163
  179    HA   LYS  28           HA       LYS  28   8.330  -6.874   0.662
  180   1HB   LYS  28          2HB       LYS  28   8.456  -8.749  -0.883
  181   1HG   LYS  28          2HG       LYS  28   5.655  -8.073  -1.737
  182   1HD   LYS  28          2HD       LYS  28   6.228 -10.502  -1.618
  183   1HE   LYS  28          2HE       LYS  28   7.675 -11.379  -3.458
  184   1HZ   LYS  28          1HZ       LYS  28   9.567 -11.387  -2.223
  185   2HZ   LYS  28          2HZ       LYS  28   8.465 -10.900  -1.027
  186   3HZ   LYS  28          3HZ       LYS  28   9.453  -9.753  -1.792
  187    H    VAL  29           H        VAL  29   6.726  -5.556  -2.217
  188    HA   VAL  29           HA       VAL  29   8.910  -5.505  -3.912
  189    HB   VAL  29           HB       VAL  29   7.855  -3.691  -5.140
  190   1HG1  VAL  29          1HG1      VAL  29   5.524  -4.727  -5.329
  191   2HG1  VAL  29          2HG1      VAL  29   6.919  -5.753  -5.665
  192   3HG1  VAL  29          3HG1      VAL  29   6.085  -5.878  -4.114
  193   1HG2  VAL  29          1HG2      VAL  29   6.905  -2.848  -2.662
  194   2HG2  VAL  29          2HG2      VAL  29   6.545  -2.143  -4.239
  195   3HG2  VAL  29          3HG2      VAL  29   5.470  -3.361  -3.553
  196    H    HIS  30           H        HIS  30   8.055  -3.159  -1.402
  197    HA   HIS  30           HA       HIS  30  10.223  -1.395  -2.067
  198   1HB   HIS  30          2HB       HIS  30   8.510  -1.491   0.420
  199    HD1  HIS  30           1HD      HIS  30   8.807   0.794  -2.667
  200    HD2  HIS  30           2HD      HIS  30   5.992  -0.957  -0.138
  201    HE1  HIS  30           1HE      HIS  30   6.520   1.636  -3.416
  202    H    THR  31           H        THR  31   9.535  -3.515   0.710
  203    HA   THR  31           HA       THR  31  12.254  -3.219   1.657
  204    HB   THR  31           HB       THR  31  10.462  -3.177   3.287
  205    HG1  THR  31           1HG      THR  31  12.115  -5.492   3.488
  206   1HG2  THR  31          1HG2      THR  31   8.919  -4.708   2.056
  207   2HG2  THR  31          2HG2      THR  31   9.054  -5.050   3.781
  208   3HG2  THR  31          3HG2      THR  31   9.905  -6.062   2.614
  209    H    ASP  32           H        ASP  32  12.231  -4.446  -0.812
  210    HA   ASP  32           HA       ASP  32  13.802  -6.736  -0.344
  211   1HB   ASP  32          2HB       ASP  32  11.614  -7.782   0.113
  212    H    THR  33           H        THR  33  11.700  -6.858  -3.134
  213    HA   THR  33           HA       THR  33  13.375  -5.188  -4.768
  214    HB   THR  33           HB       THR  33  14.793  -7.195  -4.560
  215    HG1  THR  33           1HG      THR  33  15.110  -6.262  -6.491
  216   1HG2  THR  33          1HG2      THR  33  14.061  -9.309  -5.634
  217   2HG2  THR  33          2HG2      THR  33  12.441  -8.632  -5.796
  218   3HG2  THR  33          3HG2      THR  33  13.126  -8.905  -4.194
  219    H    LEU  34           H        LEU  34  12.563  -4.895  -6.868
  220    HA   LEU  34           HA       LEU  34  10.320  -6.381  -7.833
  221   1HB   LEU  34          2HB       LEU  34   8.672  -4.664  -7.935
  222    HG   LEU  34           HG       LEU  34  10.088  -2.644  -8.252
  223   1HD1  LEU  34          1HD1      LEU  34   8.687  -1.256  -6.510
  224   2HD1  LEU  34          2HD1      LEU  34   7.918  -2.036  -7.893
  225   3HD1  LEU  34          3HD1      LEU  34   7.850  -2.795  -6.303
  226   1HD2  LEU  34          1HD2      LEU  34  10.611  -1.543  -5.909
  227   2HD2  LEU  34          2HD2      LEU  34  10.785  -3.229  -5.425
  228   3HD2  LEU  34          3HD2      LEU  34  11.780  -2.579  -6.727
  229    H    SER  35           H        SER  35  12.274  -3.457  -8.069
  230    HA   SER  35           HA       SER  35  13.146  -4.129 -10.682
  231   1HB   SER  35          2HB       SER  35  12.341  -2.022 -11.773
  232    HG   SER  35           HG       SER  35  11.746  -1.159  -9.516
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1 -10.301 -14.370   4.618
    2   2H    GLY   1          2H        GLY   1 -11.917 -13.927   4.878
    3   3H    GLY   1          3H        GLY   1 -10.785 -13.773   6.129
    4   1HA   GLY   1          2HA       GLY   1 -10.720 -11.643   5.496
    5   2HA   GLY   1          1HA       GLY   1  -9.597 -12.282   4.301
    6    H    SER   2           H        SER   2 -11.816 -10.120   4.485
    7    HA   SER   2           HA       SER   2 -12.512 -10.162   1.727
    8   1HB   SER   2          2HB       SER   2 -14.735 -10.631   3.738
    9    HG   SER   2           HG       SER   2 -13.384 -12.354   2.352
   10    H    SER   3           H        SER   3 -11.085  -8.376   3.060
   11    HA   SER   3           HA       SER   3 -12.309  -6.410   4.524
   12   1HB   SER   3          2HB       SER   3 -10.071  -5.942   2.557
   13    HG   SER   3           HG       SER   3  -9.905  -6.896   5.241
   14    H    GLY   4           H        GLY   4 -11.710  -6.389   1.057
   15   1HA   GLY   4          1HA       GLY   4 -12.702  -5.217  -0.675
   16   2HA   GLY   4          2HA       GLY   4 -14.176  -5.529   0.228
   17    H    LYS   5           H        LYS   5 -11.384  -3.433   0.880
   18    HA   LYS   5           HA       LYS   5 -13.146  -1.082   0.909
   19   1HB   LYS   5          2HB       LYS   5 -13.144  -2.177   3.132
   20   1HG   LYS   5          2HG       LYS   5 -11.544   0.349   3.264
   21   1HD   LYS   5          2HD       LYS   5 -11.692  -0.972   5.355
   22   1HE   LYS   5          2HE       LYS   5 -13.853  -0.944   6.570
   23   1HZ   LYS   5          1HZ       LYS   5 -14.841  -2.824   5.489
   24   2HZ   LYS   5          2HZ       LYS   5 -13.155  -2.985   5.416
   25   3HZ   LYS   5          3HZ       LYS   5 -14.022  -2.492   4.047
   26    H    ARG   6           H        ARG   6 -12.168   0.603  -0.012
   27    HA   ARG   6           HA       ARG   6  -9.658   0.169  -1.212
   28   1HB   ARG   6          2HB       ARG   6 -11.464   2.559  -1.331
   29   1HG   ARG   6          2HG       ARG   6 -12.484   0.589  -2.290
   30   1HD   ARG   6          2HD       ARG   6 -10.514  -0.756  -2.737
   31    HE   ARG   6           HE       ARG   6  -8.782   0.194  -3.843
   32   1HH1  ARG   6          2HH1      ARG   6 -11.732   1.329  -5.385
   33   2HH1  ARG   6          1HH1      ARG   6 -10.883   2.250  -6.589
   34   1HH2  ARG   6          2HH2      ARG   6  -7.689   1.439  -5.409
   35   2HH2  ARG   6          1HH2      ARG   6  -8.599   2.342  -6.581
   36    HA   PRO   7           HA       PRO   7  -8.201   4.117   1.377
   37   1HB   PRO   7          2HB       PRO   7  -8.744   3.827   4.029
   38   1HG   PRO   7          2HG       PRO   7  -9.934   1.786   3.728
   39   1HD   PRO   7          2HD       PRO   7 -11.253   1.444   1.770
   40    H    PHE   8           H        PHE   8  -7.621   1.019   1.250
   41    HA   PHE   8           HA       PHE   8  -5.621   0.755   3.343
   42   1HB   PHE   8          2HB       PHE   8  -6.387  -1.082   1.064
   43    HD1  PHE   8           1HD      PHE   8  -6.657  -3.499   2.593
   44    HD2  PHE   8           2HD      PHE   8  -8.014   0.418   3.506
   45    HE1  PHE   8           1HE      PHE   8  -8.442  -4.447   3.987
   46    HE2  PHE   8           2HE      PHE   8  -9.797  -0.512   4.904
   47    HZ   PHE   8           HZ       PHE   8 -10.018  -2.934   5.147
   48    H    VAL   9           H        VAL   9  -5.012   2.923   1.892
   49    HA   VAL   9           HA       VAL   9  -3.408   2.296  -0.387
   50    HB   VAL   9           HB       VAL   9  -4.625   4.486  -0.062
   51   1HG1  VAL   9          1HG1      VAL   9  -2.310   5.553   1.434
   52   2HG1  VAL   9          2HG1      VAL   9  -3.997   6.072   1.427
   53   3HG1  VAL   9          3HG1      VAL   9  -3.518   4.643   2.345
   54   1HG2  VAL   9          1HG2      VAL   9  -1.795   4.226  -0.914
   55   2HG2  VAL   9          2HG2      VAL   9  -3.233   4.602  -1.861
   56   3HG2  VAL   9          3HG2      VAL   9  -2.502   5.838  -0.840
   57    H    CYS  10           H        CYS  10  -1.269   2.064  -0.542
   58    HA   CYS  10           HA       CYS  10   0.173   1.205   1.695
   59   1HB   CYS  10          2HB       CYS  10   0.607   0.399  -0.548
   60    H    ARG  11           H        ARG  11   1.448   2.211   3.080
   61    HA   ARG  11           HA       ARG  11   1.519   5.044   3.178
   62   1HB   ARG  11          2HB       ARG  11   2.969   4.749   5.155
   63   1HG   ARG  11          2HG       ARG  11   2.679   1.788   4.723
   64   1HD   ARG  11          2HD       ARG  11   4.228   3.415   6.731
   65    HE   ARG  11           HE       ARG  11   4.481   0.666   6.045
   66   1HH1  ARG  11          2HH1      ARG  11   4.494   2.895   8.735
   67   2HH1  ARG  11          1HH1      ARG  11   5.384   1.836   9.787
   68   1HH2  ARG  11          2HH2      ARG  11   5.644  -0.743   7.411
   69   2HH2  ARG  11          1HH2      ARG  11   6.052  -0.235   9.027
   70    H    ILE  12           H        ILE  12   3.774   2.596   2.063
   71    HA   ILE  12           HA       ILE  12   6.020   4.366   2.027
   72    HB   ILE  12           HB       ILE  12   5.710   1.757   0.539
   73   1HG1  ILE  12          2HG1      ILE  12   5.341   1.457   2.963
   74   1HG2  ILE  12          1HG2      ILE  12   7.571   3.481  -0.015
   75   2HG2  ILE  12          2HG2      ILE  12   8.282   2.934   1.503
   76   3HG2  ILE  12          3HG2      ILE  12   8.000   1.783   0.196
   77   1HD1  ILE  12          1HD1      ILE  12   8.096   2.596   3.344
   78   2HD1  ILE  12          2HD1      ILE  12   6.590   3.392   3.801
   79   3HD1  ILE  12          3HD1      ILE  12   7.061   1.886   4.586
   80    H    CYS  13           H        CYS  13   3.900   3.036  -0.523
   81    HA   CYS  13           HA       CYS  13   4.850   5.242  -2.199
   82   1HB   CYS  13          2HB       CYS  13   4.054   4.066  -4.179
   83    H    LEU  14           H        LEU  14   2.039   4.090  -3.480
   84    HA   LEU  14           HA       LEU  14   0.124   5.224  -1.716
   85   1HB   LEU  14          2HB       LEU  14   0.836   6.750  -4.208
   86    HG   LEU  14           HG       LEU  14   1.791   7.639  -2.110
   87   1HD1  LEU  14          1HD1      LEU  14   1.375   9.231  -3.806
   88   2HD1  LEU  14          2HD1      LEU  14  -0.360   9.219  -3.489
   89   3HD1  LEU  14          3HD1      LEU  14   0.746   9.926  -2.312
   90   1HD2  LEU  14          1HD2      LEU  14   0.613   7.893  -0.229
   91   2HD2  LEU  14          2HD2      LEU  14  -0.763   8.596  -1.083
   92   3HD2  LEU  14          3HD2      LEU  14  -0.584   6.843  -0.987
   93    H    SER  15           H        SER  15   0.587   2.739  -2.953
   94    HA   SER  15           HA       SER  15  -1.453   2.468  -5.010
   95   1HB   SER  15          2HB       SER  15   0.135   0.333  -3.549
   96    HG   SER  15           HG       SER  15   1.569   1.568  -4.721
   97    H    ALA  16           H        ALA  16  -3.572   2.122  -4.536
   98    HA   ALA  16           HA       ALA  16  -4.264   1.562  -1.741
   99   1HB   ALA  16          1HB       ALA  16  -5.314   3.376  -3.449
  100   2HB   ALA  16          2HB       ALA  16  -6.448   2.041  -3.647
  101   3HB   ALA  16          3HB       ALA  16  -6.163   2.723  -2.046
  102    H    PHE  17           H        PHE  17  -5.119  -0.341  -1.075
  103    HA   PHE  17           HA       PHE  17  -5.836  -2.280  -3.173
  104   1HB   PHE  17          2HB       PHE  17  -4.481  -2.905  -0.543
  105    HD1  PHE  17           1HD      PHE  17  -2.741  -1.155  -1.323
  106    HD2  PHE  17           2HD      PHE  17  -3.572  -4.773  -3.399
  107    HE1  PHE  17           1HE      PHE  17  -0.590  -0.975  -2.497
  108    HE2  PHE  17           2HE      PHE  17  -1.419  -4.601  -4.571
  109    HZ   PHE  17           HZ       PHE  17   0.074  -2.700  -4.122
  110    H    THR  18           H        THR  18  -7.497  -3.745  -2.734
  111    HA   THR  18           HA       THR  18  -9.640  -2.668  -1.234
  112    HB   THR  18           HB       THR  18 -10.811  -4.778  -1.836
  113    HG1  THR  18           1HG      THR  18  -9.729  -6.336  -2.985
  114   1HG2  THR  18          1HG2      THR  18  -9.865  -4.276  -4.457
  115   2HG2  THR  18          2HG2      THR  18  -9.794  -2.747  -3.579
  116   3HG2  THR  18          3HG2      THR  18 -11.316  -3.634  -3.687
  117    H    THR  19           H        THR  19  -7.332  -5.228  -0.605
  118    HA   THR  19           HA       THR  19  -8.534  -5.613   2.050
  119    HB   THR  19           HB       THR  19  -8.075  -8.016   1.889
  120    HG1  THR  19           1HG      THR  19  -7.741  -8.530  -0.615
  121   1HG2  THR  19          1HG2      THR  19  -9.995  -6.608   0.233
  122   2HG2  THR  19          2HG2      THR  19 -10.210  -8.040   1.241
  123   3HG2  THR  19          3HG2      THR  19  -9.608  -8.204  -0.410
  124    H    LYS  20           H        LYS  20  -7.147  -6.302   3.694
  125    HA   LYS  20           HA       LYS  20  -4.561  -5.224   3.756
  126   1HB   LYS  20          2HB       LYS  20  -5.630  -7.536   5.391
  127   1HG   LYS  20          2HG       LYS  20  -7.018  -5.558   5.630
  128   1HD   LYS  20          2HD       LYS  20  -4.455  -4.222   6.487
  129   1HE   LYS  20          2HE       LYS  20  -5.846  -2.240   6.879
  130   1HZ   LYS  20          1HZ       LYS  20  -5.621  -4.381   8.553
  131   2HZ   LYS  20          2HZ       LYS  20  -7.278  -4.022   8.593
  132   3HZ   LYS  20          3HZ       LYS  20  -6.144  -2.827   8.986
  133    H    ALA  21           H        ALA  21  -5.812  -8.325   2.851
  134    HA   ALA  21           HA       ALA  21  -3.540  -9.864   2.799
  135   1HB   ALA  21          1HB       ALA  21  -5.315 -11.194   2.386
  136   2HB   ALA  21          2HB       ALA  21  -6.186  -9.934   1.511
  137   3HB   ALA  21          3HB       ALA  21  -4.927 -10.867   0.699
  138    H    ASN  22           H        ASN  22  -4.868  -7.739   0.277
  139    HA   ASN  22           HA       ASN  22  -2.853  -8.288  -1.654
  140   1HB   ASN  22          2HB       ASN  22  -4.716  -5.939  -1.336
  141   1HD2  ASN  22          1HD2      ASN  22  -6.688  -6.452  -1.947
  142   2HD2  ASN  22          2HD2      ASN  22  -7.119  -7.723  -3.025
  143    H    CYS  23           H        CYS  23  -3.192  -5.815   0.846
  144    HA   CYS  23           HA       CYS  23  -0.910  -4.322   0.161
  145   1HB   CYS  23          2HB       CYS  23  -2.652  -3.480   1.678
  146    HG   CYS  23           HG       CYS  23  -0.608  -1.820   2.002
  147    H    ALA  24           H        ALA  24  -1.362  -7.100   2.293
  148    HA   ALA  24           HA       ALA  24   1.159  -7.185   3.469
  149   1HB   ALA  24          1HB       ALA  24   0.008  -9.809   2.875
  150   2HB   ALA  24          2HB       ALA  24   0.430  -9.071   4.420
  151   3HB   ALA  24          3HB       ALA  24  -1.105  -8.679   3.644
  152    H    ARG  25           H        ARG  25   0.069  -8.828   0.475
  153    HA   ARG  25           HA       ARG  25   2.626  -9.970  -0.037
  154   1HB   ARG  25          2HB       ARG  25   1.797 -10.463  -2.297
  155   1HG   ARG  25          2HG       ARG  25  -0.787  -9.145  -1.522
  156   1HD   ARG  25          2HD       ARG  25   0.199 -10.282  -4.134
  157    HE   ARG  25           HE       ARG  25  -2.048  -8.639  -3.585
  158   1HH1  ARG  25          2HH1      ARG  25  -0.968 -11.339  -5.543
  159   2HH1  ARG  25          1HH1      ARG  25  -2.277 -11.199  -6.680
  160   1HH2  ARG  25          2HH2      ARG  25  -3.781  -8.465  -5.093
  161   2HH2  ARG  25          1HH2      ARG  25  -3.855  -9.568  -6.430
  162    H    HIS  26           H        HIS  26   1.090  -6.969  -0.925
  163    HA   HIS  26           HA       HIS  26   2.853  -6.085  -2.910
  164   1HB   HIS  26          2HB       HIS  26   0.756  -4.967  -2.588
  165    HD1  HIS  26           1HD      HIS  26   2.304  -3.615  -4.431
  166    HD2  HIS  26           2HD      HIS  26   2.380  -2.238  -0.498
  167    HE1  HIS  26           1HE      HIS  26   3.344  -1.297  -4.485
  168    H    LEU  27           H        LEU  27   2.834  -5.493   0.573
  169    HA   LEU  27           HA       LEU  27   4.541  -3.466   0.750
  170   1HB   LEU  27          2HB       LEU  27   3.316  -4.445   2.638
  171    HG   LEU  27           HG       LEU  27   6.261  -4.134   3.249
  172   1HD1  LEU  27          1HD1      LEU  27   5.942  -2.010   2.680
  173   2HD1  LEU  27          2HD1      LEU  27   4.209  -2.261   2.462
  174   3HD1  LEU  27          3HD1      LEU  27   4.853  -1.879   4.061
  175   1HD2  LEU  27          1HD2      LEU  27   4.713  -5.270   4.964
  176   2HD2  LEU  27          2HD2      LEU  27   5.704  -3.913   5.499
  177   3HD2  LEU  27          3HD2      LEU  27   3.993  -3.670   5.153
  178    H    LYS  28           H        LYS  28   5.640  -6.824   0.505
  179    HA   LYS  28           HA       LYS  28   8.264  -6.458   1.232
  180   1HB   LYS  28          2HB       LYS  28   8.830  -8.449  -0.083
  181   1HG   LYS  28          2HG       LYS  28   5.971  -8.605  -0.951
  182   1HD   LYS  28          2HD       LYS  28   6.819 -10.352  -2.394
  183   1HE   LYS  28          2HE       LYS  28   7.787 -10.624   0.442
  184   1HZ   LYS  28          1HZ       LYS  28   7.651 -12.564  -1.770
  185   2HZ   LYS  28          2HZ       LYS  28   7.379 -13.086  -0.176
  186   3HZ   LYS  28          3HZ       LYS  28   8.849 -12.356  -0.589
  187    H    VAL  29           H        VAL  29   6.798  -5.645  -1.861
  188    HA   VAL  29           HA       VAL  29   8.998  -5.605  -3.507
  189    HB   VAL  29           HB       VAL  29   7.926  -3.914  -4.876
  190   1HG1  VAL  29          1HG1      VAL  29   5.686  -4.986  -5.142
  191   2HG1  VAL  29          2HG1      VAL  29   7.051  -6.103  -5.137
  192   3HG1  VAL  29          3HG1      VAL  29   6.039  -5.940  -3.701
  193   1HG2  VAL  29          1HG2      VAL  29   5.558  -3.183  -3.863
  194   2HG2  VAL  29          2HG2      VAL  29   6.497  -3.278  -2.371
  195   3HG2  VAL  29          3HG2      VAL  29   7.025  -2.222  -3.682
  196    H    HIS  30           H        HIS  30   8.136  -3.267  -1.061
  197    HA   HIS  30           HA       HIS  30  10.075  -1.325  -1.889
  198   1HB   HIS  30          2HB       HIS  30   8.454  -1.593   0.642
  199    HD1  HIS  30           1HD      HIS  30   8.694   0.763  -2.387
  200    HD2  HIS  30           2HD      HIS  30   5.897  -1.122   0.058
  201    HE1  HIS  30           1HE      HIS  30   6.400   1.503  -3.190
  202    H    THR  31           H        THR  31   9.785  -3.591   0.803
  203    HA   THR  31           HA       THR  31  12.310  -2.879   1.898
  204    HB   THR  31           HB       THR  31  11.901  -4.788   3.425
  205    HG1  THR  31           1HG      THR  31   9.604  -5.628   3.143
  206   1HG2  THR  31          1HG2      THR  31  10.146  -3.745   4.612
  207   2HG2  THR  31          2HG2      THR  31   9.408  -3.138   3.130
  208   3HG2  THR  31          3HG2      THR  31  10.928  -2.451   3.702
  209    H    ASP  32           H        ASP  32  11.142  -5.810   0.253
  210    HA   ASP  32           HA       ASP  32  13.902  -6.708  -0.129
  211   1HB   ASP  32          2HB       ASP  32  12.277  -8.382   0.657
  212    H    THR  33           H        THR  33  14.901  -6.224  -1.966
  213    HA   THR  33           HA       THR  33  13.460  -4.949  -4.091
  214    HB   THR  33           HB       THR  33  15.656  -4.092  -3.525
  215    HG1  THR  33           1HG      THR  33  16.642  -4.472  -5.759
  216   1HG2  THR  33          1HG2      THR  33  16.418  -6.677  -3.132
  217   2HG2  THR  33          2HG2      THR  33  17.528  -5.314  -3.268
  218   3HG2  THR  33          3HG2      THR  33  17.185  -6.316  -4.678
  219    H    LEU  34           H        LEU  34  12.868  -5.775  -6.004
  220    HA   LEU  34           HA       LEU  34  12.854  -8.629  -6.290
  221   1HB   LEU  34          2HB       LEU  34  11.798  -6.436  -8.080
  222    HG   LEU  34           HG       LEU  34  10.312  -8.344  -6.274
  223   1HD1  LEU  34          1HD1      LEU  34   9.320  -6.040  -5.559
  224   2HD1  LEU  34          2HD1      LEU  34  10.851  -6.599  -4.886
  225   3HD1  LEU  34          3HD1      LEU  34  10.845  -5.413  -6.192
  226   1HD2  LEU  34          1HD2      LEU  34   8.387  -6.791  -7.250
  227   2HD2  LEU  34          2HD2      LEU  34   9.477  -6.779  -8.638
  228   3HD2  LEU  34          3HD2      LEU  34   8.864  -8.309  -8.012
  229    H    SER  35           H        SER  35  15.463  -7.895  -6.314
  230    HA   SER  35           HA       SER  35  16.356  -8.860  -8.858
  231   1HB   SER  35          2HB       SER  35  16.041  -6.438  -9.348
  232    HG   SER  35           HG       SER  35  18.635  -7.535  -9.299
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1 -11.832 -13.205   7.220
    2   2H    GLY   1          2H        GLY   1 -12.365 -13.686   5.685
    3   3H    GLY   1          3H        GLY   1 -13.235 -14.148   7.063
    4   1HA   GLY   1          2HA       GLY   1 -14.405 -12.366   6.006
    5   2HA   GLY   1          1HA       GLY   1 -13.723 -11.795   7.524
    6    H    SER   2           H        SER   2 -12.280 -12.326   4.318
    7    HA   SER   2           HA       SER   2 -10.746  -9.935   4.470
    8   1HB   SER   2          2HB       SER   2 -11.258 -11.797   2.142
    9    HG   SER   2           HG       SER   2  -9.701 -12.961   2.958
   10    H    SER   3           H        SER   3 -13.204  -8.994   4.852
   11    HA   SER   3           HA       SER   3 -14.410  -8.013   2.426
   12   1HB   SER   3          2HB       SER   3 -15.796  -6.663   4.033
   13    HG   SER   3           HG       SER   3 -15.366  -7.790   6.282
   14    H    GLY   4           H        GLY   4 -11.858  -7.345   2.140
   15   1HA   GLY   4          1HA       GLY   4 -10.811  -5.099   3.325
   16   2HA   GLY   4          2HA       GLY   4 -10.462  -5.586   1.678
   17    H    LYS   5           H        LYS   5 -10.968  -2.975   3.167
   18    HA   LYS   5           HA       LYS   5 -13.138  -1.881   1.534
   19   1HB   LYS   5          2HB       LYS   5 -13.026  -1.614   4.075
   20   1HG   LYS   5          2HG       LYS   5 -13.161   0.927   2.465
   21   1HD   LYS   5          2HD       LYS   5 -14.223   0.275   5.213
   22   1HE   LYS   5          2HE       LYS   5 -14.361   2.805   3.582
   23   1HZ   LYS   5          1HZ       LYS   5 -14.196   3.537   5.754
   24   2HZ   LYS   5          2HZ       LYS   5 -15.032   2.205   6.392
   25   3HZ   LYS   5          3HZ       LYS   5 -15.877   3.407   5.540
   26    H    ARG   6           H        ARG   6 -12.558   0.604   1.015
   27    HA   ARG   6           HA       ARG   6 -10.467   0.422  -0.896
   28   1HB   ARG   6          2HB       ARG   6 -12.516   1.486  -1.495
   29   1HG   ARG   6          2HG       ARG   6 -11.854   3.650  -2.348
   30   1HD   ARG   6          2HD       ARG   6  -9.510   1.748  -2.516
   31    HE   ARG   6           HE       ARG   6  -9.977   4.236  -3.776
   32   1HH1  ARG   6          2HH1      ARG   6  -8.901   0.978  -4.503
   33   2HH1  ARG   6          1HH1      ARG   6  -7.996   1.460  -5.905
   34   1HH2  ARG   6          2HH2      ARG   6  -8.766   4.871  -5.607
   35   2HH2  ARG   6          1HH2      ARG   6  -7.885   3.680  -6.517
   36    HA   PRO   7           HA       PRO   7  -8.426   4.047   1.687
   37   1HB   PRO   7          2HB       PRO   7  -8.650   3.905   4.361
   38   1HG   PRO   7          2HG       PRO   7  -9.782   1.818   4.350
   39   1HD   PRO   7          2HD       PRO   7 -11.274   1.255   2.643
   40    H    PHE   8           H        PHE   8  -7.820   1.055   1.336
   41    HA   PHE   8           HA       PHE   8  -5.756   0.656   3.361
   42   1HB   PHE   8          2HB       PHE   8  -6.689  -1.098   1.084
   43    HD1  PHE   8           1HD      PHE   8  -6.737  -3.550   2.715
   44    HD2  PHE   8           2HD      PHE   8  -8.256   0.336   3.519
   45    HE1  PHE   8           1HE      PHE   8  -8.445  -4.536   4.166
   46    HE2  PHE   8           2HE      PHE   8  -9.965  -0.626   4.993
   47    HZ   PHE   8           HZ       PHE   8 -10.071  -3.052   5.324
   48    H    VAL   9           H        VAL   9  -5.111   2.848   1.934
   49    HA   VAL   9           HA       VAL   9  -3.544   2.191  -0.376
   50    HB   VAL   9           HB       VAL   9  -4.686   4.419  -0.013
   51   1HG1  VAL   9          1HG1      VAL   9  -4.035   4.820   2.288
   52   2HG1  VAL   9          2HG1      VAL   9  -2.336   4.901   1.807
   53   3HG1  VAL   9          3HG1      VAL   9  -3.474   6.128   1.245
   54   1HG2  VAL   9          1HG2      VAL   9  -3.403   5.045  -1.700
   55   2HG2  VAL   9          2HG2      VAL   9  -2.092   5.424  -0.583
   56   3HG2  VAL   9          3HG2      VAL   9  -2.228   3.804  -1.266
   57    H    CYS  10           H        CYS  10  -1.369   2.018  -0.563
   58    HA   CYS  10           HA       CYS  10   0.053   0.945   1.577
   59   1HB   CYS  10          2HB       CYS  10   0.542   0.418  -0.739
   60    H    ARG  11           H        ARG  11   1.385   1.724   3.035
   61    HA   ARG  11           HA       ARG  11   1.484   4.481   3.654
   62   1HB   ARG  11          2HB       ARG  11   3.315   2.296   4.666
   63   1HG   ARG  11          2HG       ARG  11   0.647   3.148   5.763
   64   1HD   ARG  11          2HD       ARG  11   1.045   1.421   7.456
   65    HE   ARG  11           HE       ARG  11   2.399   3.859   7.462
   66   1HH1  ARG  11          2HH1      ARG  11   2.642   0.729   9.011
   67   2HH1  ARG  11          1HH1      ARG  11   3.365   1.365  10.460
   68   1HH2  ARG  11          2HH2      ARG  11   3.357   4.697   9.338
   69   2HH2  ARG  11          1HH2      ARG  11   3.794   3.620  10.638
   70    H    ILE  12           H        ILE  12   3.725   2.224   2.134
   71    HA   ILE  12           HA       ILE  12   5.893   4.043   2.230
   72    HB   ILE  12           HB       ILE  12   5.674   1.536   0.562
   73   1HG1  ILE  12          2HG1      ILE  12   5.297   1.067   2.947
   74   1HG2  ILE  12          1HG2      ILE  12   7.689   2.055  -0.208
   75   2HG2  ILE  12          2HG2      ILE  12   7.677   3.551   0.726
   76   3HG2  ILE  12          3HG2      ILE  12   8.316   2.069   1.442
   77   1HD1  ILE  12          1HD1      ILE  12   6.568   3.060   3.821
   78   2HD1  ILE  12          2HD1      ILE  12   6.839   1.530   4.655
   79   3HD1  ILE  12          3HD1      ILE  12   8.038   2.136   3.514
   80    H    CYS  13           H        CYS  13   3.837   2.875  -0.440
   81    HA   CYS  13           HA       CYS  13   4.790   5.198  -1.943
   82   1HB   CYS  13          2HB       CYS  13   4.016   4.162  -4.011
   83    H    LEU  14           H        LEU  14   2.036   4.143  -3.357
   84    HA   LEU  14           HA       LEU  14   0.069   5.215  -1.593
   85   1HB   LEU  14          2HB       LEU  14   0.899   6.831  -3.997
   86    HG   LEU  14           HG       LEU  14   1.836   7.556  -1.813
   87   1HD1  LEU  14          1HD1      LEU  14   1.713   9.691  -2.465
   88   2HD1  LEU  14          2HD1      LEU  14   0.730   9.076  -3.793
   89   3HD1  LEU  14          3HD1      LEU  14  -0.046   9.725  -2.349
   90   1HD2  LEU  14          1HD2      LEU  14   0.606   7.781   0.033
   91   2HD2  LEU  14          2HD2      LEU  14  -0.688   8.619  -0.824
   92   3HD2  LEU  14          3HD2      LEU  14  -0.629   6.857  -0.824
   93    H    SER  15           H        SER  15   0.568   2.800  -2.926
   94    HA   SER  15           HA       SER  15  -1.361   2.625  -5.088
   95   1HB   SER  15          2HB       SER  15   0.194   0.454  -3.648
   96    HG   SER  15           HG       SER  15   1.690   1.655  -4.704
   97    H    ALA  16           H        ALA  16  -3.475   2.258  -4.756
   98    HA   ALA  16           HA       ALA  16  -4.406   1.686  -2.063
   99   1HB   ALA  16          1HB       ALA  16  -6.329   1.907  -4.297
  100   2HB   ALA  16          2HB       ALA  16  -6.378   2.611  -2.680
  101   3HB   ALA  16          3HB       ALA  16  -5.367   3.337  -3.928
  102    H    PHE  17           H        PHE  17  -5.392  -0.188  -1.403
  103    HA   PHE  17           HA       PHE  17  -5.915  -2.250  -3.410
  104   1HB   PHE  17          2HB       PHE  17  -4.402  -2.763  -0.837
  105    HD1  PHE  17           1HD      PHE  17  -3.557  -4.784  -3.575
  106    HD2  PHE  17           2HD      PHE  17  -2.762  -1.013  -1.802
  107    HE1  PHE  17           1HE      PHE  17  -1.403  -4.695  -4.753
  108    HE2  PHE  17           2HE      PHE  17  -0.612  -0.901  -2.987
  109    HZ   PHE  17           HZ       PHE  17   0.073  -2.744  -4.464
  110    H    THR  18           H        THR  18  -7.492  -3.786  -2.810
  111    HA   THR  18           HA       THR  18  -9.540  -2.687  -1.187
  112    HB   THR  18           HB       THR  18 -10.701  -4.875  -1.653
  113    HG1  THR  18           1HG      THR  18  -9.611  -6.196  -3.267
  114   1HG2  THR  18          1HG2      THR  18  -9.645  -3.070  -3.789
  115   2HG2  THR  18          2HG2      THR  18 -11.290  -3.239  -3.175
  116   3HG2  THR  18          3HG2      THR  18 -10.614  -4.474  -4.236
  117    H    THR  19           H        THR  19  -7.889  -5.845  -0.878
  118    HA   THR  19           HA       THR  19  -8.627  -5.903   1.941
  119    HB   THR  19           HB       THR  19  -7.810  -8.215   1.941
  120    HG1  THR  19           1HG      THR  19  -7.485  -8.462  -0.766
  121   1HG2  THR  19          1HG2      THR  19  -9.503  -9.178   0.552
  122   2HG2  THR  19          2HG2      THR  19  -9.543  -7.749  -0.481
  123   3HG2  THR  19          3HG2      THR  19 -10.128  -7.650   1.179
  124    H    LYS  20           H        LYS  20  -7.185  -6.264   3.598
  125    HA   LYS  20           HA       LYS  20  -4.721  -4.879   3.607
  126   1HB   LYS  20          2HB       LYS  20  -5.787  -7.065   5.403
  127   1HG   LYS  20          2HG       LYS  20  -5.482  -4.137   5.853
  128   1HD   LYS  20          2HD       LYS  20  -6.780  -6.268   7.536
  129   1HE   LYS  20          2HE       LYS  20  -6.494  -3.302   8.007
  130   1HZ   LYS  20          1HZ       LYS  20  -7.936  -3.800   9.932
  131   2HZ   LYS  20          2HZ       LYS  20  -6.374  -4.452  10.066
  132   3HZ   LYS  20          3HZ       LYS  20  -7.686  -5.455   9.661
  133    H    ALA  21           H        ALA  21  -5.654  -8.157   2.982
  134    HA   ALA  21           HA       ALA  21  -3.224  -9.403   3.144
  135   1HB   ALA  21          1HB       ALA  21  -5.804  -9.967   1.825
  136   2HB   ALA  21          2HB       ALA  21  -4.412 -10.865   1.212
  137   3HB   ALA  21          3HB       ALA  21  -4.847 -10.968   2.919
  138    H    ASN  22           H        ASN  22  -4.682  -7.685   0.395
  139    HA   ASN  22           HA       ASN  22  -2.626  -8.325  -1.466
  140   1HB   ASN  22          2HB       ASN  22  -4.484  -5.939  -1.419
  141   1HD2  ASN  22          1HD2      ASN  22  -6.469  -6.344  -2.012
  142   2HD2  ASN  22          2HD2      ASN  22  -7.035  -7.788  -2.776
  143    H    CYS  23           H        CYS  23  -3.084  -5.620   0.762
  144    HA   CYS  23           HA       CYS  23  -0.845  -4.130  -0.067
  145   1HB   CYS  23          2HB       CYS  23  -2.665  -3.193   1.311
  146    HG   CYS  23           HG       CYS  23  -1.245  -1.195   2.023
  147    H    ALA  24           H        ALA  24  -1.244  -6.653   2.377
  148    HA   ALA  24           HA       ALA  24   1.285  -6.485   3.556
  149   1HB   ALA  24          1HB       ALA  24  -0.972  -8.166   3.748
  150   2HB   ALA  24          2HB       ALA  24   0.435  -9.204   3.518
  151   3HB   ALA  24          3HB       ALA  24   0.400  -8.050   4.849
  152    H    ARG  25           H        ARG  25   0.189  -8.555   0.854
  153    HA   ARG  25           HA       ARG  25   2.761  -9.713   0.467
  154   1HB   ARG  25          2HB       ARG  25   1.893 -10.615  -1.621
  155   1HG   ARG  25          2HG       ARG  25  -0.594  -9.000  -1.133
  156   1HD   ARG  25          2HD       ARG  25   0.160 -10.985  -3.268
  157    HE   ARG  25           HE       ARG  25  -1.710  -8.899  -3.459
  158   1HH1  ARG  25          2HH1      ARG  25  -1.466 -12.351  -3.943
  159   2HH1  ARG  25          1HH1      ARG  25  -2.689 -12.408  -5.176
  160   1HH2  ARG  25          2HH2      ARG  25  -3.333  -8.957  -5.066
  161   2HH2  ARG  25          1HH2      ARG  25  -3.749 -10.465  -5.824
  162    H    HIS  26           H        HIS  26   1.133  -6.903  -0.803
  163    HA   HIS  26           HA       HIS  26   2.858  -6.177  -2.890
  164   1HB   HIS  26          2HB       HIS  26   0.797  -5.005  -2.660
  165    HD1  HIS  26           1HD      HIS  26   2.404  -3.668  -4.502
  166    HD2  HIS  26           2HD      HIS  26   2.311  -2.230  -0.597
  167    HE1  HIS  26           1HE      HIS  26   3.424  -1.337  -4.553
  168    H    LEU  27           H        LEU  27   2.966  -5.481   0.563
  169    HA   LEU  27           HA       LEU  27   4.732  -3.478   0.712
  170   1HB   LEU  27          2HB       LEU  27   3.547  -4.523   2.607
  171    HG   LEU  27           HG       LEU  27   6.509  -4.227   3.121
  172   1HD1  LEU  27          1HD1      LEU  27   5.809  -2.172   2.292
  173   2HD1  LEU  27          2HD1      LEU  27   4.207  -2.317   3.018
  174   3HD1  LEU  27          3HD1      LEU  27   5.609  -1.985   4.035
  175   1HD2  LEU  27          1HD2      LEU  27   4.862  -3.555   5.345
  176   2HD2  LEU  27          2HD2      LEU  27   4.444  -5.181   4.805
  177   3HD2  LEU  27          3HD2      LEU  27   6.112  -4.794   5.230
  178    H    LYS  28           H        LYS  28   5.661  -6.872   0.350
  179    HA   LYS  28           HA       LYS  28   8.378  -6.616   0.869
  180   1HB   LYS  28          2HB       LYS  28   8.691  -8.721  -0.287
  181   1HG   LYS  28          2HG       LYS  28   5.888  -8.368  -1.307
  182   1HD   LYS  28          2HD       LYS  28   7.720 -10.766  -1.342
  183   1HE   LYS  28          2HE       LYS  28   5.844 -11.897  -2.484
  184   1HZ   LYS  28          1HZ       LYS  28   6.422  -9.678  -4.273
  185   2HZ   LYS  28          2HZ       LYS  28   6.603 -11.345  -4.517
  186   3HZ   LYS  28          3HZ       LYS  28   7.769 -10.490  -3.636
  187    H    VAL  29           H        VAL  29   6.675  -5.573  -1.975
  188    HA   VAL  29           HA       VAL  29   8.811  -5.605  -3.802
  189    HB   VAL  29           HB       VAL  29   7.703  -3.871  -5.054
  190   1HG1  VAL  29          1HG1      VAL  29   6.322  -5.432  -5.770
  191   2HG1  VAL  29          2HG1      VAL  29   6.442  -6.274  -4.225
  192   3HG1  VAL  29          3HG1      VAL  29   5.203  -5.042  -4.464
  193   1HG2  VAL  29          1HG2      VAL  29   5.591  -2.831  -4.168
  194   2HG2  VAL  29          2HG2      VAL  29   6.062  -3.422  -2.574
  195   3HG2  VAL  29          3HG2      VAL  29   7.090  -2.270  -3.428
  196    H    HIS  30           H        HIS  30   7.966  -3.337  -1.239
  197    HA   HIS  30           HA       HIS  30  10.051  -1.468  -1.921
  198   1HB   HIS  30          2HB       HIS  30   8.362  -1.690   0.573
  199    HD1  HIS  30           1HD      HIS  30   8.646   0.730  -2.414
  200    HD2  HIS  30           2HD      HIS  30   5.833  -1.174  -0.004
  201    HE1  HIS  30           1HE      HIS  30   6.366   1.548  -3.167
  202    H    THR  31           H        THR  31  10.762  -4.311  -1.267
  203    HA   THR  31           HA       THR  31  13.172  -3.771   0.055
  204    HB   THR  31           HB       THR  31  11.745  -3.647   2.076
  205    HG1  THR  31           1HG      THR  31  13.940  -4.538   2.125
  206   1HG2  THR  31          1HG2      THR  31  10.317  -5.708   0.971
  207   2HG2  THR  31          2HG2      THR  31  10.192  -5.158   2.642
  208   3HG2  THR  31          3HG2      THR  31  11.237  -6.521   2.239
  209    H    ASP  32           H        ASP  32  12.163  -5.000  -2.261
  210    HA   ASP  32           HA       ASP  32  13.769  -7.342  -2.350
  211   1HB   ASP  32          2HB       ASP  32  11.805  -8.376  -1.320
  212    H    THR  33           H        THR  33  11.002  -5.746  -3.870
  213    HA   THR  33           HA       THR  33  12.126  -6.184  -6.520
  214    HB   THR  33           HB       THR  33   9.555  -4.756  -5.808
  215    HG1  THR  33           1HG      THR  33  10.253  -7.456  -5.836
  216   1HG2  THR  33          1HG2      THR  33   8.959  -5.661  -8.123
  217   2HG2  THR  33          2HG2      THR  33  10.681  -5.978  -8.321
  218   3HG2  THR  33          3HG2      THR  33  10.112  -4.328  -8.071
  219    H    LEU  34           H        LEU  34  13.839  -4.664  -5.149
  220    HA   LEU  34           HA       LEU  34  13.735  -2.105  -6.510
  221   1HB   LEU  34          2HB       LEU  34  13.885  -2.311  -3.498
  222    HG   LEU  34           HG       LEU  34  11.566  -2.066  -4.313
  223   1HD1  LEU  34          1HD1      LEU  34  12.821  -0.683  -2.329
  224   2HD1  LEU  34          2HD1      LEU  34  12.058   0.616  -3.247
  225   3HD1  LEU  34          3HD1      LEU  34  11.079  -0.703  -2.602
  226   1HD2  LEU  34          1HD2      LEU  34  12.810   0.187  -5.816
  227   2HD2  LEU  34          2HD2      LEU  34  11.589  -0.976  -6.334
  228   3HD2  LEU  34          3HD2      LEU  34  11.145   0.348  -5.256
  229    H    SER  35           H        SER  35  15.737  -1.298  -6.932
  230    HA   SER  35           HA       SER  35  18.096  -2.241  -5.607
  231   1HB   SER  35          2HB       SER  35  17.551  -4.145  -7.139
  232    HG   SER  35           HG       SER  35  19.783  -3.510  -6.692
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1 -10.288 -11.708   9.454
    2   2H    GLY   1          2H        GLY   1  -9.489 -13.151   9.849
    3   3H    GLY   1          3H        GLY   1  -9.888 -12.815   8.233
    4   1HA   GLY   1          2HA       GLY   1  -7.721 -11.759   9.882
    5   2HA   GLY   1          1HA       GLY   1  -7.706 -12.232   8.189
    6    H    SER   2           H        SER   2  -9.742 -10.790   7.121
    7    HA   SER   2           HA       SER   2 -10.009  -8.139   7.918
    8   1HB   SER   2          2HB       SER   2  -8.571  -6.967   6.268
    9    HG   SER   2           HG       SER   2  -7.053  -9.311   5.951
   10    H    SER   3           H        SER   3  -9.425  -7.668   4.786
   11    HA   SER   3           HA       SER   3 -10.582  -7.590   2.858
   12   1HB   SER   3          2HB       SER   3 -12.067  -9.979   3.974
   13    HG   SER   3           HG       SER   3 -10.370 -11.049   3.394
   14    H    GLY   4           H        GLY   4 -12.033  -6.163   2.235
   15   1HA   GLY   4          1HA       GLY   4 -14.684  -5.966   2.745
   16   2HA   GLY   4          2HA       GLY   4 -13.974  -5.208   4.163
   17    H    LYS   5           H        LYS   5 -14.307  -3.136   3.959
   18    HA   LYS   5           HA       LYS   5 -14.510  -1.648   1.598
   19   1HB   LYS   5          2HB       LYS   5 -15.384  -0.843   3.728
   20   1HG   LYS   5          2HG       LYS   5 -13.162   0.972   2.822
   21   1HD   LYS   5          2HD       LYS   5 -14.159   1.636   4.959
   22   1HE   LYS   5          2HE       LYS   5 -16.743   1.685   3.405
   23   1HZ   LYS   5          1HZ       LYS   5 -17.612   2.306   5.693
   24   2HZ   LYS   5          2HZ       LYS   5 -16.813   3.520   4.821
   25   3HZ   LYS   5          3HZ       LYS   5 -16.011   2.718   6.081
   26    H    ARG   6           H        ARG   6 -13.054  -0.203   0.597
   27    HA   ARG   6           HA       ARG   6 -10.248  -0.994   0.894
   28   1HB   ARG   6          2HB       ARG   6 -11.213  -1.475  -1.274
   29   1HG   ARG   6          2HG       ARG   6  -9.422   0.925  -1.577
   30   1HD   ARG   6          2HD       ARG   6  -8.737  -0.098  -3.656
   31    HE   ARG   6           HE       ARG   6 -11.468  -0.237  -4.319
   32   1HH1  ARG   6          2HH1      ARG   6  -9.127   2.056  -3.013
   33   2HH1  ARG   6          1HH1      ARG   6 -10.026   3.444  -3.540
   34   1HH2  ARG   6          2HH2      ARG   6 -12.626   1.619  -4.992
   35   2HH2  ARG   6          1HH2      ARG   6 -11.984   3.203  -4.658
   36    HA   PRO   7           HA       PRO   7 -10.046   3.558   1.964
   37   1HB   PRO   7          2HB       PRO   7  -9.318   3.071   4.644
   38   1HG   PRO   7          2HG       PRO   7 -10.561   1.314   5.357
   39   1HD   PRO   7          2HD       PRO   7  -9.669   0.081   3.620
   40    H    PHE   8           H        PHE   8  -8.365   0.737   2.019
   41    HA   PHE   8           HA       PHE   8  -5.960   1.458   3.296
   42   1HB   PHE   8          2HB       PHE   8  -6.469  -0.798   1.346
   43    HD1  PHE   8           1HD      PHE   8  -7.126   0.494   4.693
   44    HD2  PHE   8           2HD      PHE   8  -7.101  -2.962   2.210
   45    HE1  PHE   8           1HE      PHE   8  -8.551  -0.679   6.315
   46    HE2  PHE   8           2HE      PHE   8  -8.518  -4.144   3.830
   47    HZ   PHE   8           HZ       PHE   8  -9.260  -2.996   5.881
   48    H    VAL   9           H        VAL   9  -4.124   2.255   2.543
   49    HA   VAL   9           HA       VAL   9  -3.536   2.244  -0.287
   50    HB   VAL   9           HB       VAL   9  -4.718   4.400   0.367
   51   1HG1  VAL   9          1HG1      VAL   9  -3.960   5.738   1.948
   52   2HG1  VAL   9          2HG1      VAL   9  -2.847   4.441   2.398
   53   3HG1  VAL   9          3HG1      VAL   9  -2.325   5.704   1.281
   54   1HG2  VAL   9          1HG2      VAL   9  -2.869   5.796  -0.845
   55   2HG2  VAL   9          2HG2      VAL   9  -2.098   4.226  -1.039
   56   3HG2  VAL   9          3HG2      VAL   9  -3.709   4.503  -1.698
   57    H    CYS  10           H        CYS  10  -1.339   2.108  -0.638
   58    HA   CYS  10           HA       CYS  10   0.171   1.004   1.405
   59   1HB   CYS  10          2HB       CYS  10   0.600   0.588  -0.964
   60    H    ARG  11           H        ARG  11   1.554   1.747   2.843
   61    HA   ARG  11           HA       ARG  11   1.568   4.507   3.478
   62   1HB   ARG  11          2HB       ARG  11   3.143   3.841   5.284
   63   1HG   ARG  11          2HG       ARG  11   2.793   1.053   4.211
   64   1HD   ARG  11          2HD       ARG  11   2.741   1.230   6.671
   65    HE   ARG  11           HE       ARG  11   4.907   3.028   6.338
   66   1HH1  ARG  11          2HH1      ARG  11   3.664   0.538   8.468
   67   2HH1  ARG  11          1HH1      ARG  11   4.604   1.052   9.837
   68   1HH2  ARG  11          2HH2      ARG  11   6.152   3.706   8.125
   69   2HH2  ARG  11          1HH2      ARG  11   6.032   2.858   9.638
   70    H    ILE  12           H        ILE  12   3.876   2.328   1.951
   71    HA   ILE  12           HA       ILE  12   5.978   4.271   2.020
   72    HB   ILE  12           HB       ILE  12   5.869   1.732   0.394
   73   1HG1  ILE  12          2HG1      ILE  12   5.558   1.246   2.778
   74   1HG2  ILE  12          1HG2      ILE  12   8.463   2.126   0.950
   75   2HG2  ILE  12          2HG2      ILE  12   7.678   2.760  -0.496
   76   3HG2  ILE  12          3HG2      ILE  12   7.914   3.803   0.908
   77   1HD1  ILE  12          1HD1      ILE  12   8.190   2.588   3.299
   78   2HD1  ILE  12          2HD1      ILE  12   6.626   3.322   3.658
   79   3HD1  ILE  12          3HD1      ILE  12   7.107   1.830   4.469
   80    H    CYS  13           H        CYS  13   4.011   2.873  -0.643
   81    HA   CYS  13           HA       CYS  13   4.760   5.250  -2.179
   82   1HB   CYS  13          2HB       CYS  13   4.040   4.164  -4.221
   83    H    LEU  14           H        LEU  14   2.014   4.058  -3.533
   84    HA   LEU  14           HA       LEU  14   0.067   5.165  -1.735
   85   1HB   LEU  14          2HB       LEU  14   0.730   6.596  -4.306
   86    HG   LEU  14           HG       LEU  14   1.813   7.533  -2.283
   87   1HD1  LEU  14          1HD1      LEU  14   1.321   9.037  -4.074
   88   2HD1  LEU  14          2HD1      LEU  14  -0.370   9.154  -3.579
   89   3HD1  LEU  14          3HD1      LEU  14   0.895   9.839  -2.561
   90   1HD2  LEU  14          1HD2      LEU  14  -0.389   8.758  -1.029
   91   2HD2  LEU  14          2HD2      LEU  14  -0.787   7.046  -1.176
   92   3HD2  LEU  14          3HD2      LEU  14   0.695   7.541  -0.359
   93    H    SER  15           H        SER  15   0.574   2.653  -2.967
   94    HA   SER  15           HA       SER  15  -1.449   2.346  -5.021
   95   1HB   SER  15          2HB       SER  15   0.147   0.250  -3.518
   96    HG   SER  15           HG       SER  15   1.548   1.476  -4.745
   97    H    ALA  16           H        ALA  16  -3.553   2.112  -4.539
   98    HA   ALA  16           HA       ALA  16  -4.351   1.591  -1.789
   99   1HB   ALA  16          1HB       ALA  16  -6.396   1.839  -3.919
  100   2HB   ALA  16          2HB       ALA  16  -6.354   2.532  -2.295
  101   3HB   ALA  16          3HB       ALA  16  -5.401   3.258  -3.593
  102    H    PHE  17           H        PHE  17  -5.363  -0.272  -1.075
  103    HA   PHE  17           HA       PHE  17  -5.919  -2.333  -3.091
  104   1HB   PHE  17          2HB       PHE  17  -4.499  -2.877  -0.476
  105    HD1  PHE  17           1HD      PHE  17  -2.754  -1.187  -1.309
  106    HD2  PHE  17           2HD      PHE  17  -3.662  -4.824  -3.320
  107    HE1  PHE  17           1HE      PHE  17  -0.603  -1.070  -2.496
  108    HE2  PHE  17           2HE      PHE  17  -1.512  -4.717  -4.510
  109    HZ   PHE  17           HZ       PHE  17   0.023  -2.834  -4.095
  110    H    THR  18           H        THR  18  -7.642  -3.606  -2.732
  111    HA   THR  18           HA       THR  18  -9.752  -2.626  -1.191
  112    HB   THR  18           HB       THR  18 -10.850  -4.815  -1.732
  113    HG1  THR  18           1HG      THR  18  -9.722  -6.357  -2.779
  114   1HG2  THR  18          1HG2      THR  18 -11.261  -3.188  -3.338
  115   2HG2  THR  18          2HG2      THR  18 -10.556  -4.494  -4.290
  116   3HG2  THR  18          3HG2      THR  18  -9.571  -3.107  -3.831
  117    H    THR  19           H        THR  19  -7.405  -5.155  -0.545
  118    HA   THR  19           HA       THR  19  -8.481  -5.431   2.177
  119    HB   THR  19           HB       THR  19  -8.045  -7.840   2.084
  120    HG1  THR  19           1HG      THR  19  -7.794  -8.167  -0.578
  121   1HG2  THR  19          1HG2      THR  19  -9.982  -6.511   0.337
  122   2HG2  THR  19          2HG2      THR  19 -10.215  -7.820   1.496
  123   3HG2  THR  19          3HG2      THR  19  -9.631  -8.176  -0.130
  124    H    LYS  20           H        LYS  20  -6.988  -5.995   3.770
  125    HA   LYS  20           HA       LYS  20  -4.369  -4.971   3.603
  126   1HB   LYS  20          2HB       LYS  20  -5.318  -7.162   5.460
  127   1HG   LYS  20          2HG       LYS  20  -6.877  -5.271   5.516
  128   1HD   LYS  20          2HD       LYS  20  -5.071  -3.536   4.971
  129   1HE   LYS  20          2HE       LYS  20  -4.133  -2.390   6.925
  130   1HZ   LYS  20          1HZ       LYS  20  -3.279  -5.237   6.857
  131   2HZ   LYS  20          2HZ       LYS  20  -2.385  -3.933   7.464
  132   3HZ   LYS  20          3HZ       LYS  20  -2.723  -4.018   5.810
  133    H    ALA  21           H        ALA  21  -5.807  -8.054   2.997
  134    HA   ALA  21           HA       ALA  21  -3.683  -9.781   2.894
  135   1HB   ALA  21          1HB       ALA  21  -5.494 -11.041   2.532
  136   2HB   ALA  21          2HB       ALA  21  -6.405  -9.678   1.879
  137   3HB   ALA  21          3HB       ALA  21  -5.329 -10.608   0.832
  138    H    ASN  22           H        ASN  22  -4.899  -7.627   0.333
  139    HA   ASN  22           HA       ASN  22  -2.973  -8.473  -1.609
  140   1HB   ASN  22          2HB       ASN  22  -4.666  -5.974  -1.483
  141   1HD2  ASN  22          1HD2      ASN  22  -6.693  -6.382  -1.908
  142   2HD2  ASN  22          2HD2      ASN  22  -7.303  -7.710  -2.823
  143    H    CYS  23           H        CYS  23  -3.148  -5.786   0.685
  144    HA   CYS  23           HA       CYS  23  -0.846  -4.450  -0.224
  145   1HB   CYS  23          2HB       CYS  23  -2.552  -3.411   1.230
  146    HG   CYS  23           HG       CYS  23   0.089  -2.238   1.030
  147    H    ALA  24           H        ALA  24  -1.304  -7.021   2.146
  148    HA   ALA  24           HA       ALA  24   1.189  -7.000   3.366
  149   1HB   ALA  24          1HB       ALA  24  -0.880  -9.091   2.920
  150   2HB   ALA  24          2HB       ALA  24   0.696  -9.580   3.541
  151   3HB   ALA  24          3HB       ALA  24  -0.275  -8.402   4.427
  152    H    ARG  25           H        ARG  25   0.194  -8.755   0.424
  153    HA   ARG  25           HA       ARG  25   2.757  -9.926   0.002
  154   1HB   ARG  25          2HB       ARG  25   1.952 -10.552  -2.216
  155   1HG   ARG  25          2HG       ARG  25  -0.513  -8.944  -1.598
  156   1HD   ARG  25          2HD       ARG  25   0.197 -10.687  -3.952
  157    HE   ARG  25           HE       ARG  25  -1.624  -8.573  -3.872
  158   1HH1  ARG  25          2HH1      ARG  25  -1.535 -11.964  -4.713
  159   2HH1  ARG  25          1HH1      ARG  25  -2.814 -11.843  -5.886
  160   1HH2  ARG  25          2HH2      ARG  25  -3.299  -8.401  -5.440
  161   2HH2  ARG  25          1HH2      ARG  25  -3.810  -9.815  -6.299
  162    H    HIS  26           H        HIS  26   1.244  -6.953  -0.966
  163    HA   HIS  26           HA       HIS  26   3.022  -6.125  -2.969
  164   1HB   HIS  26          2HB       HIS  26   0.910  -5.029  -2.709
  165    HD1  HIS  26           1HD      HIS  26   2.575  -3.747  -4.550
  166    HD2  HIS  26           2HD      HIS  26   2.378  -2.211  -0.689
  167    HE1  HIS  26           1HE      HIS  26   3.554  -1.403  -4.648
  168    H    LEU  27           H        LEU  27   2.999  -5.492   0.509
  169    HA   LEU  27           HA       LEU  27   4.724  -3.459   0.687
  170   1HB   LEU  27          2HB       LEU  27   3.469  -4.424   2.561
  171    HG   LEU  27           HG       LEU  27   6.403  -4.130   3.220
  172   1HD1  LEU  27          1HD1      LEU  27   4.999  -1.847   3.981
  173   2HD1  LEU  27          2HD1      LEU  27   6.119  -2.002   2.623
  174   3HD1  LEU  27          3HD1      LEU  27   4.389  -2.240   2.371
  175   1HD2  LEU  27          1HD2      LEU  27   5.844  -3.979   5.447
  176   2HD2  LEU  27          2HD2      LEU  27   4.173  -3.528   5.108
  177   3HD2  LEU  27          3HD2      LEU  27   4.696  -5.199   4.897
  178    H    LYS  28           H        LYS  28   5.761  -6.832   0.471
  179    HA   LYS  28           HA       LYS  28   8.401  -6.593   1.177
  180   1HB   LYS  28          2HB       LYS  28   8.830  -8.587  -0.212
  181   1HG   LYS  28          2HG       LYS  28   5.969  -8.270  -1.093
  182   1HD   LYS  28          2HD       LYS  28   7.980 -10.428  -1.720
  183   1HE   LYS  28          2HE       LYS  28   6.109 -11.546  -2.787
  184   1HZ   LYS  28          1HZ       LYS  28   5.971  -8.880  -3.977
  185   2HZ   LYS  28          2HZ       LYS  28   6.165 -10.385  -4.720
  186   3HZ   LYS  28          3HZ       LYS  28   7.479  -9.653  -3.940
  187    H    VAL  29           H        VAL  29   6.958  -5.554  -1.842
  188    HA   VAL  29           HA       VAL  29   9.228  -5.512  -3.454
  189    HB   VAL  29           HB       VAL  29   8.150  -3.841  -4.834
  190   1HG1  VAL  29          1HG1      VAL  29   6.925  -6.283  -4.012
  191   2HG1  VAL  29          2HG1      VAL  29   5.678  -5.112  -4.441
  192   3HG1  VAL  29          3HG1      VAL  29   6.940  -5.520  -5.604
  193   1HG2  VAL  29          1HG2      VAL  29   7.321  -2.505  -2.796
  194   2HG2  VAL  29          2HG2      VAL  29   6.316  -2.538  -4.247
  195   3HG2  VAL  29          3HG2      VAL  29   5.909  -3.560  -2.868
  196    H    HIS  30           H        HIS  30   8.155  -3.209  -1.013
  197    HA   HIS  30           HA       HIS  30  10.149  -1.251  -1.694
  198   1HB   HIS  30          2HB       HIS  30   8.348  -1.473   0.718
  199    HD1  HIS  30           1HD      HIS  30   8.741   0.833  -2.330
  200    HD2  HIS  30           2HD      HIS  30   5.845  -1.063  -0.021
  201    HE1  HIS  30           1HE      HIS  30   6.483   1.519  -3.282
  202    H    THR  31           H        THR  31  11.409  -3.680  -1.253
  203    HA   THR  31           HA       THR  31  13.485  -2.867   0.398
  204    HB   THR  31           HB       THR  31  12.088  -3.350   2.323
  205    HG1  THR  31           1HG      THR  31  14.230  -3.851   2.650
  206   1HG2  THR  31          1HG2      THR  31  11.960  -6.261   1.646
  207   2HG2  THR  31          2HG2      THR  31  10.742  -5.153   1.013
  208   3HG2  THR  31          3HG2      THR  31  10.961  -5.321   2.755
  209    H    ASP  32           H        ASP  32  11.777  -5.772  -0.742
  210    HA   ASP  32           HA       ASP  32  14.291  -7.019  -1.541
  211   1HB   ASP  32          2HB       ASP  32  11.420  -7.900  -2.008
  212    H    THR  33           H        THR  33  12.850  -8.080  -3.993
  213    HA   THR  33           HA       THR  33  13.409  -5.872  -5.778
  214    HB   THR  33           HB       THR  33  12.668  -7.515  -7.554
  215    HG1  THR  33           1HG      THR  33  12.908  -9.479  -5.510
  216   1HG2  THR  33          1HG2      THR  33  15.073  -7.358  -6.085
  217   2HG2  THR  33          2HG2      THR  33  14.845  -7.935  -7.736
  218   3HG2  THR  33          3HG2      THR  33  14.771  -9.070  -6.388
  219    H    LEU  34           H        LEU  34  11.865  -4.702  -6.863
  220    HA   LEU  34           HA       LEU  34   9.337  -4.543  -5.552
  221   1HB   LEU  34          2HB       LEU  34  10.445  -3.016  -7.907
  222    HG   LEU  34           HG       LEU  34  10.070  -2.161  -5.036
  223   1HD1  LEU  34          1HD1      LEU  34  12.582  -2.096  -6.682
  224   2HD1  LEU  34          2HD1      LEU  34  12.405  -1.840  -4.947
  225   3HD1  LEU  34          3HD1      LEU  34  12.155  -3.446  -5.632
  226   1HD2  LEU  34          1HD2      LEU  34   9.904  -0.057  -5.701
  227   2HD2  LEU  34          2HD2      LEU  34  11.348  -0.215  -6.701
  228   3HD2  LEU  34          3HD2      LEU  34   9.767  -0.630  -7.364
  229    H    SER  35           H        SER  35   9.333  -7.022  -6.655
  230    HA   SER  35           HA       SER  35   6.953  -6.905  -8.230
  231   1HB   SER  35          2HB       SER  35   8.679  -6.617  -9.993
  232    HG   SER  35           HG       SER  35   6.746  -7.867 -10.419
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -14.284 -12.136   5.080
    2   2H    GLY   1          2H        GLY   1 -15.769 -12.839   4.652
    3   3H    GLY   1          3H        GLY   1 -15.733 -11.473   5.656
    4   1HA   GLY   1          2HA       GLY   1 -16.196 -11.365   3.045
    5   2HA   GLY   1          1HA       GLY   1 -15.504 -10.042   3.972
    6    H    SER   2           H        SER   2 -15.205 -11.244   1.147
    7    HA   SER   2           HA       SER   2 -12.397 -11.873   0.951
    8   1HB   SER   2          2HB       SER   2 -14.418 -11.170  -1.198
    9    HG   SER   2           HG       SER   2 -13.615 -13.745  -1.086
   10    H    SER   3           H        SER   3 -12.554 -10.022  -1.619
   11    HA   SER   3           HA       SER   3 -11.119  -7.840  -0.455
   12   1HB   SER   3          2HB       SER   3 -12.220  -8.178  -3.255
   13    HG   SER   3           HG       SER   3  -9.812  -8.578  -3.535
   14    H    GLY   4           H        GLY   4 -11.961  -6.034   0.390
   15   1HA   GLY   4          1HA       GLY   4 -14.829  -5.556   0.177
   16   2HA   GLY   4          2HA       GLY   4 -13.700  -4.684   1.203
   17    H    LYS   5           H        LYS   5 -14.156  -2.635   0.672
   18    HA   LYS   5           HA       LYS   5 -14.125  -1.729  -2.091
   19   1HB   LYS   5          2HB       LYS   5 -14.210   0.559  -1.040
   20   1HG   LYS   5          2HG       LYS   5 -14.801  -0.887   1.524
   21   1HD   LYS   5          2HD       LYS   5 -14.676   1.350   2.488
   22   1HE   LYS   5          2HE       LYS   5 -16.668   2.371   1.456
   23   1HZ   LYS   5          1HZ       LYS   5 -16.571  -0.021   2.733
   24   2HZ   LYS   5          2HZ       LYS   5 -17.497  -0.376   1.354
   25   3HZ   LYS   5          3HZ       LYS   5 -17.979   0.868   2.402
   26    H    ARG   6           H        ARG   6 -12.557   0.475  -2.097
   27    HA   ARG   6           HA       ARG   6  -9.904  -0.623  -1.428
   28   1HB   ARG   6          2HB       ARG   6 -10.659   1.136  -3.758
   29   1HG   ARG   6          2HG       ARG   6  -9.616  -1.683  -3.619
   30   1HD   ARG   6          2HD       ARG   6  -8.583  -0.446  -5.457
   31    HE   ARG   6           HE       ARG   6 -11.125   0.698  -5.861
   32   1HH1  ARG   6          2HH1      ARG   6  -8.449  -0.641  -7.647
   33   2HH1  ARG   6          1HH1      ARG   6  -8.719   0.329  -9.064
   34   1HH2  ARG   6          2HH2      ARG   6 -11.525   1.978  -7.715
   35   2HH2  ARG   6          1HH2      ARG   6 -10.470   1.843  -9.093
   36    HA   PRO   7           HA       PRO   7 -10.121   3.465   0.769
   37   1HB   PRO   7          2HB       PRO   7  -9.987   2.262   3.302
   38   1HG   PRO   7          2HG       PRO   7 -11.107   0.304   3.178
   39   1HD   PRO   7          2HD       PRO   7  -9.866  -0.374   1.373
   40    H    PHE   8           H        PHE   8  -8.350   0.522   1.250
   41    HA   PHE   8           HA       PHE   8  -6.312   1.548   2.907
   42   1HB   PHE   8          2HB       PHE   8  -6.309  -0.925   1.154
   43    HD1  PHE   8           1HD      PHE   8  -5.946  -2.941   3.097
   44    HD2  PHE   8           2HD      PHE   8  -8.561   0.403   3.231
   45    HE1  PHE   8           1HE      PHE   8  -7.428  -4.168   4.619
   46    HE2  PHE   8           2HE      PHE   8 -10.055  -0.825   4.753
   47    HZ   PHE   8           HZ       PHE   8  -9.478  -3.116   5.450
   48    H    VAL   9           H        VAL   9  -4.444   2.557   2.349
   49    HA   VAL   9           HA       VAL   9  -3.545   2.324  -0.427
   50    HB   VAL   9           HB       VAL   9  -4.657   4.538   0.111
   51   1HG1  VAL   9          1HG1      VAL   9  -2.710   6.070   1.173
   52   2HG1  VAL   9          2HG1      VAL   9  -4.072   5.410   2.081
   53   3HG1  VAL   9          3HG1      VAL   9  -2.512   4.581   2.099
   54   1HG2  VAL   9          1HG2      VAL   9  -2.556   5.829  -0.846
   55   2HG2  VAL   9          2HG2      VAL   9  -1.960   4.182  -1.063
   56   3HG2  VAL   9          3HG2      VAL   9  -3.471   4.680  -1.823
   57    H    CYS  10           H        CYS  10  -1.375   2.023  -0.660
   58    HA   CYS  10           HA       CYS  10   0.035   0.885   1.426
   59   1HB   CYS  10          2HB       CYS  10   0.533   0.452  -0.912
   60    H    ARG  11           H        ARG  11   1.434   1.567   2.890
   61    HA   ARG  11           HA       ARG  11   1.414   4.300   3.613
   62   1HB   ARG  11          2HB       ARG  11   2.790   3.640   5.494
   63   1HG   ARG  11          2HG       ARG  11   3.101   0.986   4.111
   64   1HD   ARG  11          2HD       ARG  11   3.768   1.861   6.913
   65    HE   ARG  11           HE       ARG  11   5.305   0.122   5.428
   66   1HH1  ARG  11          2HH1      ARG  11   3.350  -0.150   8.310
   67   2HH1  ARG  11          1HH1      ARG  11   4.425  -1.265   9.096
   68   1HH2  ARG  11          2HH2      ARG  11   6.744  -1.321   6.448
   69   2HH2  ARG  11          1HH2      ARG  11   6.367  -1.929   8.038
   70    H    ILE  12           H        ILE  12   3.784   2.213   2.037
   71    HA   ILE  12           HA       ILE  12   5.858   4.189   2.217
   72    HB   ILE  12           HB       ILE  12   5.803   1.683   0.536
   73   1HG1  ILE  12          2HG1      ILE  12   5.528   1.148   2.899
   74   1HG2  ILE  12          1HG2      ILE  12   8.070   3.489   1.370
   75   2HG2  ILE  12          2HG2      ILE  12   8.274   1.912   0.608
   76   3HG2  ILE  12          3HG2      ILE  12   7.471   3.215  -0.267
   77   1HD1  ILE  12          1HD1      ILE  12   7.795   3.039   3.287
   78   2HD1  ILE  12          2HD1      ILE  12   6.304   2.861   4.213
   79   3HD1  ILE  12          3HD1      ILE  12   7.593   1.666   4.375
   80    H    CYS  13           H        CYS  13   3.950   2.864  -0.515
   81    HA   CYS  13           HA       CYS  13   4.743   5.262  -1.992
   82   1HB   CYS  13          2HB       CYS  13   4.049   4.191  -4.054
   83    H    LEU  14           H        LEU  14   2.042   4.137  -3.435
   84    HA   LEU  14           HA       LEU  14   0.040   5.160  -1.661
   85   1HB   LEU  14          2HB       LEU  14   0.770   6.732  -4.131
   86    HG   LEU  14           HG       LEU  14   1.783   7.580  -2.039
   87   1HD1  LEU  14          1HD1      LEU  14   0.267   8.988  -3.937
   88   2HD1  LEU  14          2HD1      LEU  14  -0.116   9.707  -2.373
   89   3HD1  LEU  14          3HD1      LEU  14   1.561   9.613  -2.914
   90   1HD2  LEU  14          1HD2      LEU  14  -0.797   6.948  -0.999
   91   2HD2  LEU  14          2HD2      LEU  14   0.639   7.499  -0.136
   92   3HD2  LEU  14          3HD2      LEU  14  -0.505   8.674  -0.786
   93    H    SER  15           H        SER  15   0.565   2.714  -2.971
   94    HA   SER  15           HA       SER  15  -1.397   2.486  -5.097
   95   1HB   SER  15          2HB       SER  15   0.151   0.342  -3.614
   96    HG   SER  15           HG       SER  15   1.598   1.593  -4.747
   97    H    ALA  16           H        ALA  16  -3.514   2.214  -4.694
   98    HA   ALA  16           HA       ALA  16  -4.393   1.630  -1.991
   99   1HB   ALA  16          1HB       ALA  16  -5.440   3.328  -3.694
  100   2HB   ALA  16          2HB       ALA  16  -6.325   1.904  -4.241
  101   3HB   ALA  16          3HB       ALA  16  -6.458   2.432  -2.562
  102    H    PHE  17           H        PHE  17  -5.375  -0.206  -1.305
  103    HA   PHE  17           HA       PHE  17  -6.002  -2.290  -3.261
  104   1HB   PHE  17          2HB       PHE  17  -4.480  -2.876  -0.709
  105    HD1  PHE  17           1HD      PHE  17  -2.744  -1.170  -1.566
  106    HD2  PHE  17           2HD      PHE  17  -3.702  -4.795  -3.572
  107    HE1  PHE  17           1HE      PHE  17  -0.615  -1.056  -2.786
  108    HE2  PHE  17           2HE      PHE  17  -1.572  -4.686  -4.794
  109    HZ   PHE  17           HZ       PHE  17  -0.022  -2.815  -4.399
  110    H    THR  18           H        THR  18  -7.591  -3.758  -2.555
  111    HA   THR  18           HA       THR  18  -9.633  -2.604  -1.009
  112    HB   THR  18           HB       THR  18 -10.672  -4.877  -1.099
  113    HG1  THR  18           1HG      THR  18  -8.545  -5.598  -2.825
  114   1HG2  THR  18          1HG2      THR  18 -11.446  -3.716  -2.886
  115   2HG2  THR  18          2HG2      THR  18 -10.475  -4.885  -3.781
  116   3HG2  THR  18          3HG2      THR  18  -9.830  -3.277  -3.441
  117    H    THR  19           H        THR  19  -7.273  -5.091  -0.276
  118    HA   THR  19           HA       THR  19  -8.145  -5.092   2.532
  119    HB   THR  19           HB       THR  19  -7.812  -7.531   2.542
  120    HG1  THR  19           1HG      THR  19  -7.814  -8.266   0.081
  121   1HG2  THR  19          1HG2      THR  19  -9.924  -7.925   1.872
  122   2HG2  THR  19          2HG2      THR  19  -9.618  -7.326   0.241
  123   3HG2  THR  19          3HG2      THR  19  -9.974  -6.191   1.544
  124    H    LYS  20           H        LYS  20  -6.634  -5.860   4.056
  125    HA   LYS  20           HA       LYS  20  -3.945  -5.033   3.727
  126   1HB   LYS  20          2HB       LYS  20  -5.085  -7.016   5.704
  127   1HG   LYS  20          2HG       LYS  20  -6.133  -4.866   5.924
  128   1HD   LYS  20          2HD       LYS  20  -3.330  -3.798   6.255
  129   1HE   LYS  20          2HE       LYS  20  -5.985  -2.385   6.409
  130   1HZ   LYS  20          1HZ       LYS  20  -4.848  -0.562   5.914
  131   2HZ   LYS  20          2HZ       LYS  20  -3.401  -1.436   5.784
  132   3HZ   LYS  20          3HZ       LYS  20  -3.876  -0.800   7.281
  133    H    ALA  21           H        ALA  21  -5.706  -7.915   3.078
  134    HA   ALA  21           HA       ALA  21  -3.720  -9.812   2.959
  135   1HB   ALA  21          1HB       ALA  21  -5.344 -10.727   1.052
  136   2HB   ALA  21          2HB       ALA  21  -5.780 -10.766   2.761
  137   3HB   ALA  21          3HB       ALA  21  -6.397  -9.476   1.722
  138    H    ASN  22           H        ASN  22  -4.934  -7.702   0.376
  139    HA   ASN  22           HA       ASN  22  -3.026  -8.538  -1.576
  140   1HB   ASN  22          2HB       ASN  22  -4.744  -6.056  -1.414
  141   1HD2  ASN  22          1HD2      ASN  22  -6.772  -6.550  -1.680
  142   2HD2  ASN  22          2HD2      ASN  22  -7.395  -7.857  -2.608
  143    H    CYS  23           H        CYS  23  -3.203  -5.883   0.733
  144    HA   CYS  23           HA       CYS  23  -0.989  -4.433  -0.157
  145   1HB   CYS  23          2HB       CYS  23  -2.635  -3.535   1.415
  146    HG   CYS  23           HG       CYS  23   0.636  -3.391   2.153
  147    H    ALA  24           H        ALA  24  -1.200  -7.140   2.103
  148    HA   ALA  24           HA       ALA  24   1.338  -7.005   3.224
  149   1HB   ALA  24          1HB       ALA  24  -0.837  -8.803   3.285
  150   2HB   ALA  24          2HB       ALA  24   0.615  -9.746   2.947
  151   3HB   ALA  24          3HB       ALA  24   0.546  -8.718   4.377
  152    H    ARG  25           H        ARG  25   0.320  -8.880   0.351
  153    HA   ARG  25           HA       ARG  25   2.897  -9.932  -0.161
  154   1HB   ARG  25          2HB       ARG  25   2.056 -10.510  -2.391
  155   1HG   ARG  25          2HG       ARG  25  -0.462  -9.047  -1.642
  156   1HD   ARG  25          2HD       ARG  25   0.287 -10.572  -4.133
  157    HE   ARG  25           HE       ARG  25  -1.713  -8.634  -3.761
  158   1HH1  ARG  25          2HH1      ARG  25  -1.215 -11.805  -5.172
  159   2HH1  ARG  25          1HH1      ARG  25  -2.604 -11.689  -6.217
  160   1HH2  ARG  25          2HH2      ARG  25  -3.522  -8.481  -5.148
  161   2HH2  ARG  25          1HH2      ARG  25  -3.906  -9.798  -6.211
  162    H    HIS  26           H        HIS  26   1.275  -6.996  -1.156
  163    HA   HIS  26           HA       HIS  26   3.123  -6.113  -3.088
  164   1HB   HIS  26          2HB       HIS  26   0.983  -5.063  -2.984
  165    HD1  HIS  26           1HD      HIS  26   2.660  -3.654  -4.689
  166    HD2  HIS  26           2HD      HIS  26   2.303  -2.283  -0.774
  167    HE1  HIS  26           1HE      HIS  26   3.621  -1.306  -4.643
  168    H    LEU  27           H        LEU  27   2.864  -5.467   0.380
  169    HA   LEU  27           HA       LEU  27   4.547  -3.409   0.674
  170   1HB   LEU  27          2HB       LEU  27   3.202  -4.434   2.459
  171    HG   LEU  27           HG       LEU  27   6.091  -4.103   3.297
  172   1HD1  LEU  27          1HD1      LEU  27   4.310  -2.233   2.214
  173   2HD1  LEU  27          2HD1      LEU  27   4.328  -1.928   3.953
  174   3HD1  LEU  27          3HD1      LEU  27   5.836  -1.909   3.039
  175   1HD2  LEU  27          1HD2      LEU  27   4.122  -5.192   4.800
  176   2HD2  LEU  27          2HD2      LEU  27   5.455  -4.242   5.457
  177   3HD2  LEU  27          3HD2      LEU  27   3.894  -3.480   5.155
  178    H    LYS  28           H        LYS  28   5.615  -6.765   0.484
  179    HA   LYS  28           HA       LYS  28   8.249  -6.359   1.272
  180   1HB   LYS  28          2HB       LYS  28   8.768  -8.506   0.222
  181   1HG   LYS  28          2HG       LYS  28   5.979  -8.378  -0.892
  182   1HD   LYS  28          2HD       LYS  28   7.951 -10.664  -0.793
  183   1HE   LYS  28          2HE       LYS  28   6.086 -11.966  -1.770
  184   1HZ   LYS  28          1HZ       LYS  28   7.120 -11.615  -3.671
  185   2HZ   LYS  28          2HZ       LYS  28   7.747 -10.145  -3.111
  186   3HZ   LYS  28          3HZ       LYS  28   6.247 -10.178  -3.905
  187    H    VAL  29           H        VAL  29   6.825  -5.518  -1.801
  188    HA   VAL  29           HA       VAL  29   9.142  -5.595  -3.399
  189    HB   VAL  29           HB       VAL  29   8.170  -3.883  -4.817
  190   1HG1  VAL  29          1HG1      VAL  29   6.455  -6.117  -3.873
  191   2HG1  VAL  29          2HG1      VAL  29   5.844  -4.995  -5.091
  192   3HG1  VAL  29          3HG1      VAL  29   7.319  -5.918  -5.399
  193   1HG2  VAL  29          1HG2      VAL  29   5.622  -3.460  -3.661
  194   2HG2  VAL  29          2HG2      VAL  29   6.841  -3.043  -2.455
  195   3HG2  VAL  29          3HG2      VAL  29   6.870  -2.274  -4.039
  196    H    HIS  30           H        HIS  30   8.044  -3.242  -1.045
  197    HA   HIS  30           HA       HIS  30  10.063  -1.321  -1.700
  198   1HB   HIS  30          2HB       HIS  30   8.307  -1.619   0.743
  199    HD1  HIS  30           1HD      HIS  30   8.677   0.802  -2.230
  200    HD2  HIS  30           2HD      HIS  30   5.780  -1.141   0.036
  201    HE1  HIS  30           1HE      HIS  30   6.430   1.519  -3.151
  202    H    THR  31           H        THR  31   9.569  -3.732   0.809
  203    HA   THR  31           HA       THR  31  12.217  -3.287   1.874
  204    HB   THR  31           HB       THR  31  11.611  -5.047   3.483
  205    HG1  THR  31           1HG      THR  31  10.156  -6.136   1.924
  206   1HG2  THR  31          1HG2      THR  31  11.023  -2.701   3.930
  207   2HG2  THR  31          2HG2      THR  31   9.865  -3.821   4.647
  208   3HG2  THR  31          3HG2      THR  31   9.456  -2.963   3.163
  209    H    ASP  32           H        ASP  32  12.278  -4.133  -0.848
  210    HA   ASP  32           HA       ASP  32  14.139  -6.250  -0.629
  211   1HB   ASP  32          2HB       ASP  32  12.134  -7.645  -0.394
  212    H    THR  33           H        THR  33  11.794  -5.410  -3.239
  213    HA   THR  33           HA       THR  33  14.024  -5.233  -5.055
  214    HB   THR  33           HB       THR  33  12.008  -6.337  -5.849
  215    HG1  THR  33           1HG      THR  33  12.668  -3.908  -7.187
  216   1HG2  THR  33          1HG2      THR  33  10.695  -3.956  -4.866
  217   2HG2  THR  33          2HG2      THR  33  10.006  -5.512  -5.327
  218   3HG2  THR  33          3HG2      THR  33  10.280  -4.273  -6.550
  219    H    LEU  34           H        LEU  34  14.164  -3.330  -3.084
  220    HA   LEU  34           HA       LEU  34  14.345  -0.974  -4.767
  221   1HB   LEU  34          2HB       LEU  34  13.093  -0.910  -2.019
  222    HG   LEU  34           HG       LEU  34  11.400  -1.314  -3.727
  223   1HD1  LEU  34          1HD1      LEU  34  10.114  -0.024  -2.466
  224   2HD1  LEU  34          2HD1      LEU  34  11.523   0.905  -1.953
  225   3HD1  LEU  34          3HD1      LEU  34  10.628   1.385  -3.395
  226   1HD2  LEU  34          1HD2      LEU  34  11.331   1.083  -5.157
  227   2HD2  LEU  34          2HD2      LEU  34  13.006   0.538  -5.232
  228   3HD2  LEU  34          3HD2      LEU  34  11.708  -0.523  -5.779
  229    H    SER  35           H        SER  35  16.255  -2.776  -4.112
  230    HA   SER  35           HA       SER  35  18.218  -1.098  -2.911
  231   1HB   SER  35          2HB       SER  35  18.902  -2.762  -1.161
  232    HG   SER  35           HG       SER  35  16.616  -4.052  -2.132
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -9.654 -12.872   6.854
    2   2H    GLY   1          2H        GLY   1  -8.251 -11.958   6.597
    3   3H    GLY   1          3H        GLY   1  -9.642 -11.658   5.671
    4   1HA   GLY   1          2HA       GLY   1 -10.705 -11.250   8.017
    5   2HA   GLY   1          1HA       GLY   1  -9.034 -10.901   8.431
    6    H    SER   2           H        SER   2 -11.616  -9.311   8.033
    7    HA   SER   2           HA       SER   2 -12.291  -7.280   7.309
    8   1HB   SER   2          2HB       SER   2 -10.564  -5.491   7.422
    9    HG   SER   2           HG       SER   2  -8.891  -7.533   6.972
   10    H    SER   3           H        SER   3 -12.102  -9.010   5.160
   11    HA   SER   3           HA       SER   3 -10.867  -7.630   2.937
   12   1HB   SER   3          2HB       SER   3 -12.086  -9.338   1.574
   13    HG   SER   3           HG       SER   3 -13.874  -9.594   3.036
   14    H    GLY   4           H        GLY   4 -11.857  -6.085   1.635
   15   1HA   GLY   4          1HA       GLY   4 -14.540  -5.913   1.061
   16   2HA   GLY   4          2HA       GLY   4 -14.369  -5.048   2.572
   17    H    LYS   5           H        LYS   5 -14.536  -3.030   2.194
   18    HA   LYS   5           HA       LYS   5 -14.320  -1.695  -0.185
   19   1HB   LYS   5          2HB       LYS   5 -14.305   0.383   1.197
   20   1HG   LYS   5          2HG       LYS   5 -14.283  -1.520   3.531
   21   1HD   LYS   5          2HD       LYS   5 -14.422   1.487   3.403
   22   1HE   LYS   5          2HE       LYS   5 -13.179   0.687   5.344
   23   1HZ   LYS   5          1HZ       LYS   5 -15.285  -1.265   5.443
   24   2HZ   LYS   5          2HZ       LYS   5 -15.020  -0.510   6.937
   25   3HZ   LYS   5          3HZ       LYS   5 -13.742  -1.298   6.149
   26    H    ARG   6           H        ARG   6 -12.924  -0.031  -0.935
   27    HA   ARG   6           HA       ARG   6 -10.138  -0.833  -0.593
   28   1HB   ARG   6          2HB       ARG   6 -11.242  -1.038  -2.762
   29   1HG   ARG   6          2HG       ARG   6  -9.186   1.144  -2.974
   30   1HD   ARG   6          2HD       ARG   6 -10.056  -1.006  -4.902
   31    HE   ARG   6           HE       ARG   6  -8.107  -0.449  -5.917
   32   1HH1  ARG   6          2HH1      ARG   6  -9.453   2.488  -4.521
   33   2HH1  ARG   6          1HH1      ARG   6  -8.180   3.501  -5.132
   34   1HH2  ARG   6          2HH2      ARG   6  -6.459   0.899  -6.730
   35   2HH2  ARG   6          1HH2      ARG   6  -6.481   2.605  -6.384
   36    HA   PRO   7           HA       PRO   7  -9.769   3.698   0.721
   37   1HB   PRO   7          2HB       PRO   7 -10.060   3.765   3.361
   38   1HG   PRO   7          2HG       PRO   7 -10.501   1.596   3.945
   39   1HD   PRO   7          2HD       PRO   7 -10.496   0.077   2.272
   40    H    PHE   8           H        PHE   8  -8.527   0.742   1.234
   41    HA   PHE   8           HA       PHE   8  -6.361   1.289   3.036
   42   1HB   PHE   8          2HB       PHE   8  -6.733  -0.975   1.056
   43    HD1  PHE   8           1HD      PHE   8  -8.688   0.397   3.395
   44    HD2  PHE   8           2HD      PHE   8  -6.536  -3.210   2.757
   45    HE1  PHE   8           1HE      PHE   8 -10.279  -0.804   4.832
   46    HE2  PHE   8           2HE      PHE   8  -8.118  -4.416   4.195
   47    HZ   PHE   8           HZ       PHE   8  -9.989  -3.214   5.240
   48    H    VAL   9           H        VAL   9  -4.286   1.872   2.496
   49    HA   VAL   9           HA       VAL   9  -3.489   1.954  -0.289
   50    HB   VAL   9           HB       VAL   9  -4.701   4.088   0.382
   51   1HG1  VAL   9          1HG1      VAL   9  -3.804   5.624   1.804
   52   2HG1  VAL   9          2HG1      VAL   9  -3.340   4.119   2.599
   53   3HG1  VAL   9          3HG1      VAL   9  -2.165   4.997   1.618
   54   1HG2  VAL   9          1HG2      VAL   9  -2.074   3.868  -0.959
   55   2HG2  VAL   9          2HG2      VAL   9  -3.633   4.379  -1.601
   56   3HG2  VAL   9          3HG2      VAL   9  -2.675   5.493  -0.627
   57    H    CYS  10           H        CYS  10  -1.297   1.897  -0.557
   58    HA   CYS  10           HA       CYS  10   0.223   0.756   1.485
   59   1HB   CYS  10          2HB       CYS  10   0.682   0.391  -0.877
   60    H    ARG  11           H        ARG  11   1.595   1.537   2.934
   61    HA   ARG  11           HA       ARG  11   1.538   4.339   3.491
   62   1HB   ARG  11          2HB       ARG  11   2.939   3.752   5.445
   63   1HG   ARG  11          2HG       ARG  11   2.741   0.937   4.395
   64   1HD   ARG  11          2HD       ARG  11   2.258   1.045   6.792
   65    HE   ARG  11           HE       ARG  11   3.322   2.691   7.955
   66   1HH1  ARG  11          2HH1      ARG  11   5.723   0.970   6.064
   67   2HH1  ARG  11          1HH1      ARG  11   7.036   2.003   6.553
   68   1HH2  ARG  11          2HH2      ARG  11   5.049   4.052   8.588
   69   2HH2  ARG  11          1HH2      ARG  11   6.650   3.762   7.967
   70    H    ILE  12           H        ILE  12   3.797   2.123   1.983
   71    HA   ILE  12           HA       ILE  12   5.994   3.976   2.131
   72    HB   ILE  12           HB       ILE  12   5.764   1.512   0.408
   73   1HG1  ILE  12          2HG1      ILE  12   5.554   0.959   2.793
   74   1HG2  ILE  12          1HG2      ILE  12   7.451   3.242  -0.253
   75   2HG2  ILE  12          2HG2      ILE  12   8.219   3.002   1.318
   76   3HG2  ILE  12          3HG2      ILE  12   8.138   1.670   0.166
   77   1HD1  ILE  12          1HD1      ILE  12   7.022   3.088   3.409
   78   2HD1  ILE  12          2HD1      ILE  12   6.867   1.684   4.466
   79   3HD1  ILE  12          3HD1      ILE  12   8.288   1.859   3.434
   80    H    CYS  13           H        CYS  13   3.994   2.742  -0.585
   81    HA   CYS  13           HA       CYS  13   4.790   5.171  -2.014
   82   1HB   CYS  13          2HB       CYS  13   3.995   4.176  -4.093
   83    H    LEU  14           H        LEU  14   2.034   4.138  -3.418
   84    HA   LEU  14           HA       LEU  14   0.112   5.083  -1.530
   85   1HB   LEU  14          2HB       LEU  14   0.758   6.778  -3.938
   86    HG   LEU  14           HG       LEU  14   1.832   7.493  -1.812
   87   1HD1  LEU  14          1HD1      LEU  14   0.736   9.827  -1.832
   88   2HD1  LEU  14          2HD1      LEU  14   1.508   9.246  -3.308
   89   3HD1  LEU  14          3HD1      LEU  14  -0.247   9.186  -3.149
   90   1HD2  LEU  14          1HD2      LEU  14   0.702   7.404   0.098
   91   2HD2  LEU  14          2HD2      LEU  14  -0.444   8.594  -0.522
   92   3HD2  LEU  14          3HD2      LEU  14  -0.736   6.873  -0.775
   93    H    SER  15           H        SER  15   0.599   2.705  -2.936
   94    HA   SER  15           HA       SER  15  -1.392   2.522  -5.029
   95   1HB   SER  15          2HB       SER  15   0.141   0.348  -3.577
   96    HG   SER  15           HG       SER  15   1.589   1.628  -4.708
   97    H    ALA  16           H        ALA  16  -3.502   2.246  -4.639
   98    HA   ALA  16           HA       ALA  16  -4.369   1.645  -1.926
   99   1HB   ALA  16          1HB       ALA  16  -6.341   2.653  -2.409
  100   2HB   ALA  16          2HB       ALA  16  -5.338   3.436  -3.632
  101   3HB   ALA  16          3HB       ALA  16  -6.362   2.069  -4.074
  102    H    PHE  17           H        PHE  17  -5.505  -0.154  -1.305
  103    HA   PHE  17           HA       PHE  17  -6.043  -2.209  -3.331
  104   1HB   PHE  17          2HB       PHE  17  -4.610  -2.753  -0.720
  105    HD1  PHE  17           1HD      PHE  17  -3.785  -4.735  -3.525
  106    HD2  PHE  17           2HD      PHE  17  -2.853  -1.075  -1.573
  107    HE1  PHE  17           1HE      PHE  17  -1.611  -4.688  -4.668
  108    HE2  PHE  17           2HE      PHE  17  -0.678  -1.013  -2.723
  109    HZ   PHE  17           HZ       PHE  17  -0.056  -2.824  -4.273
  110    H    THR  18           H        THR  18  -7.641  -3.712  -2.760
  111    HA   THR  18           HA       THR  18  -9.780  -2.678  -1.238
  112    HB   THR  18           HB       THR  18 -10.762  -4.972  -1.595
  113    HG1  THR  18           1HG      THR  18  -9.397  -6.121  -3.323
  114   1HG2  THR  18          1HG2      THR  18  -9.988  -3.007  -3.623
  115   2HG2  THR  18          2HG2      THR  18 -11.554  -3.759  -3.318
  116   3HG2  THR  18          3HG2      THR  18 -10.343  -4.602  -4.283
  117    H    THR  19           H        THR  19  -7.346  -5.140  -0.571
  118    HA   THR  19           HA       THR  19  -8.415  -5.403   2.155
  119    HB   THR  19           HB       THR  19  -7.950  -7.805   2.060
  120    HG1  THR  19           1HG      THR  19  -7.685  -8.144  -0.589
  121   1HG2  THR  19          1HG2      THR  19  -9.927  -6.462   0.419
  122   2HG2  THR  19          2HG2      THR  19 -10.094  -7.895   1.435
  123   3HG2  THR  19          3HG2      THR  19  -9.519  -8.054  -0.224
  124    H    LYS  20           H        LYS  20  -6.994  -6.009   3.770
  125    HA   LYS  20           HA       LYS  20  -4.387  -4.976   3.778
  126   1HB   LYS  20          2HB       LYS  20  -5.434  -7.282   5.439
  127   1HG   LYS  20          2HG       LYS  20  -6.900  -5.343   5.662
  128   1HD   LYS  20          2HD       LYS  20  -4.412  -3.952   6.652
  129   1HE   LYS  20          2HE       LYS  20  -7.277  -3.010   6.562
  130   1HZ   LYS  20          1HZ       LYS  20  -5.086  -1.593   7.918
  131   2HZ   LYS  20          2HZ       LYS  20  -6.565  -0.993   7.353
  132   3HZ   LYS  20          3HZ       LYS  20  -5.322  -1.359   6.255
  133    H    ALA  21           H        ALA  21  -5.741  -8.073   2.994
  134    HA   ALA  21           HA       ALA  21  -3.569  -9.725   2.935
  135   1HB   ALA  21          1HB       ALA  21  -5.366 -10.996   2.514
  136   2HB   ALA  21          2HB       ALA  21  -6.237  -9.666   1.743
  137   3HB   ALA  21          3HB       ALA  21  -5.070 -10.617   0.817
  138    H    ASN  22           H        ASN  22  -4.782  -7.650   0.309
  139    HA   ASN  22           HA       ASN  22  -2.745  -8.394  -1.539
  140   1HB   ASN  22          2HB       ASN  22  -4.546  -5.964  -1.514
  141   1HD2  ASN  22          1HD2      ASN  22  -6.557  -6.367  -2.083
  142   2HD2  ASN  22          2HD2      ASN  22  -7.117  -7.787  -2.889
  143    H    CYS  23           H        CYS  23  -3.157  -5.691   0.696
  144    HA   CYS  23           HA       CYS  23  -0.918  -4.214  -0.118
  145   1HB   CYS  23          2HB       CYS  23  -2.708  -3.271   1.286
  146    HG   CYS  23           HG       CYS  23   0.519  -2.929   2.102
  147    H    ALA  24           H        ALA  24  -1.258  -6.738   2.348
  148    HA   ALA  24           HA       ALA  24   1.259  -6.517   3.524
  149   1HB   ALA  24          1HB       ALA  24   0.852  -8.612   4.505
  150   2HB   ALA  24          2HB       ALA  24  -0.739  -7.881   4.289
  151   3HB   ALA  24          3HB       ALA  24  -0.183  -9.127   3.172
  152    H    ARG  25           H        ARG  25   0.247  -8.621   0.818
  153    HA   ARG  25           HA       ARG  25   2.832  -9.728   0.437
  154   1HB   ARG  25          2HB       ARG  25   1.994 -10.595  -1.682
  155   1HG   ARG  25          2HG       ARG  25  -0.504  -8.992  -1.178
  156   1HD   ARG  25          2HD       ARG  25   0.242 -10.925  -3.366
  157    HE   ARG  25           HE       ARG  25  -1.604  -8.821  -3.494
  158   1HH1  ARG  25          2HH1      ARG  25  -1.454 -12.278  -4.100
  159   2HH1  ARG  25          1HH1      ARG  25  -2.671 -12.231  -5.342
  160   1HH2  ARG  25          2HH2      ARG  25  -3.214  -8.779  -5.093
  161   2HH2  ARG  25          1HH2      ARG  25  -3.693 -10.250  -5.890
  162    H    HIS  26           H        HIS  26   1.182  -6.933  -0.873
  163    HA   HIS  26           HA       HIS  26   2.915  -6.200  -2.940
  164   1HB   HIS  26          2HB       HIS  26   0.838  -5.060  -2.729
  165    HD1  HIS  26           1HD      HIS  26   2.357  -3.717  -4.594
  166    HD2  HIS  26           2HD      HIS  26   2.409  -2.260  -0.699
  167    HE1  HIS  26           1HE      HIS  26   3.398  -1.395  -4.698
  168    H    LEU  27           H        LEU  27   2.984  -5.401   0.489
  169    HA   LEU  27           HA       LEU  27   4.719  -3.357   0.526
  170   1HB   LEU  27          2HB       LEU  27   3.449  -4.241   2.451
  171    HG   LEU  27           HG       LEU  27   6.376  -3.906   3.107
  172   1HD1  LEU  27          1HD1      LEU  27   4.978  -1.597   3.749
  173   2HD1  LEU  27          2HD1      LEU  27   6.079  -1.815   2.390
  174   3HD1  LEU  27          3HD1      LEU  27   4.347  -2.063   2.170
  175   1HD2  LEU  27          1HD2      LEU  27   4.320  -3.054   5.004
  176   2HD2  LEU  27          2HD2      LEU  27   4.400  -4.800   4.751
  177   3HD2  LEU  27          3HD2      LEU  27   5.834  -3.917   5.278
  178    H    LYS  28           H        LYS  28   5.689  -6.752   0.369
  179    HA   LYS  28           HA       LYS  28   8.324  -6.523   1.094
  180   1HB   LYS  28          2HB       LYS  28   8.774  -8.576  -0.135
  181   1HG   LYS  28          2HG       LYS  28   6.006  -8.343  -1.282
  182   1HD   LYS  28          2HD       LYS  28   8.182 -10.403  -1.642
  183   1HE   LYS  28          2HE       LYS  28   6.874 -10.035  -3.683
  184   1HZ   LYS  28          1HZ       LYS  28   4.441 -11.157  -2.937
  185   2HZ   LYS  28          2HZ       LYS  28   4.725  -9.609  -3.576
  186   3HZ   LYS  28          3HZ       LYS  28   4.722  -9.846  -1.897
  187    H    VAL  29           H        VAL  29   6.905  -5.641  -1.996
  188    HA   VAL  29           HA       VAL  29   9.137  -5.649  -3.628
  189    HB   VAL  29           HB       VAL  29   8.066  -3.995  -5.026
  190   1HG1  VAL  29          1HG1      VAL  29   5.644  -5.033  -4.944
  191   2HG1  VAL  29          2HG1      VAL  29   7.042  -5.959  -5.496
  192   3HG1  VAL  29          3HG1      VAL  29   6.437  -6.172  -3.854
  193   1HG2  VAL  29          1HG2      VAL  29   5.731  -3.543  -3.314
  194   2HG2  VAL  29          2HG2      VAL  29   7.218  -2.775  -2.758
  195   3HG2  VAL  29          3HG2      VAL  29   6.597  -2.431  -4.374
  196    H    HIS  30           H        HIS  30   8.194  -3.258  -1.245
  197    HA   HIS  30           HA       HIS  30  10.160  -1.329  -2.042
  198   1HB   HIS  30          2HB       HIS  30   8.486  -1.560   0.461
  199    HD1  HIS  30           1HD      HIS  30   8.718   0.769  -2.585
  200    HD2  HIS  30           2HD      HIS  30   5.938  -1.162  -0.162
  201    HE1  HIS  30           1HE      HIS  30   6.419   1.502  -3.379
  202    H    THR  31           H        THR  31   9.763  -3.527   0.681
  203    HA   THR  31           HA       THR  31  12.120  -2.739   1.980
  204    HB   THR  31           HB       THR  31  11.722  -4.666   3.457
  205    HG1  THR  31           1HG      THR  31   9.410  -5.582   2.715
  206   1HG2  THR  31          1HG2      THR  31   9.139  -3.998   3.803
  207   2HG2  THR  31          2HG2      THR  31   9.666  -2.659   2.783
  208   3HG2  THR  31          3HG2      THR  31  10.481  -2.976   4.316
  209    H    ASP  32           H        ASP  32  11.469  -5.326  -0.309
  210    HA   ASP  32           HA       ASP  32  14.327  -6.015  -0.313
  211   1HB   ASP  32          2HB       ASP  32  13.042  -7.504   1.254
  212    H    THR  33           H        THR  33  15.094  -6.704  -2.279
  213    HA   THR  33           HA       THR  33  13.513  -6.008  -4.550
  214    HB   THR  33           HB       THR  33  16.250  -7.306  -4.438
  215    HG1  THR  33           1HG      THR  33  15.333  -4.664  -4.212
  216   1HG2  THR  33          1HG2      THR  33  16.539  -6.568  -6.708
  217   2HG2  THR  33          2HG2      THR  33  14.984  -5.737  -6.688
  218   3HG2  THR  33          3HG2      THR  33  15.043  -7.499  -6.626
  219    H    LEU  34           H        LEU  34  12.383  -7.291  -5.861
  220    HA   LEU  34           HA       LEU  34  11.818  -9.917  -4.985
  221   1HB   LEU  34          2HB       LEU  34  10.864  -8.431  -7.431
  222    HG   LEU  34           HG       LEU  34  10.109  -7.283  -5.423
  223   1HD1  LEU  34          1HD1      LEU  34   7.955  -7.065  -6.107
  224   2HD1  LEU  34          2HD1      LEU  34   8.586  -7.968  -7.483
  225   3HD1  LEU  34          3HD1      LEU  34   7.694  -8.807  -6.212
  226   1HD2  LEU  34          1HD2      LEU  34   8.678  -8.467  -3.797
  227   2HD2  LEU  34          2HD2      LEU  34   9.068  -9.987  -4.603
  228   3HD2  LEU  34          3HD2      LEU  34  10.339  -9.059  -3.808
  229    H    SER  35           H        SER  35  12.197 -11.801  -5.905
  230    HA   SER  35           HA       SER  35  13.385 -12.144  -8.474
  231   1HB   SER  35          2HB       SER  35  15.405 -11.533  -7.185
  232    HG   SER  35           HG       SER  35  15.054 -14.164  -8.103
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1 -12.891  -1.601   7.666
    2   2H    GLY   1          2H        GLY   1 -14.571  -1.800   7.523
    3   3H    GLY   1          3H        GLY   1 -13.582  -1.908   6.150
    4   1HA   GLY   1          2HA       GLY   1 -13.383  -3.764   8.449
    5   2HA   GLY   1          1HA       GLY   1 -14.368  -4.090   7.030
    6    H    SER   2           H        SER   2 -11.736  -5.169   8.301
    7    HA   SER   2           HA       SER   2  -9.697  -4.766   6.386
    8   1HB   SER   2          2HB       SER   2 -10.128  -7.032   8.344
    9    HG   SER   2           HG       SER   2  -9.679  -5.426   9.651
   10    H    SER   3           H        SER   3  -9.223  -5.770   4.526
   11    HA   SER   3           HA       SER   3  -9.454  -6.978   2.640
   12   1HB   SER   3          2HB       SER   3 -10.640  -9.014   4.531
   13    HG   SER   3           HG       SER   3  -8.467  -8.667   4.921
   14    H    GLY   4           H        GLY   4 -11.144  -5.044   2.704
   15   1HA   GLY   4          1HA       GLY   4 -13.201  -5.766   0.952
   16   2HA   GLY   4          2HA       GLY   4 -13.907  -5.624   2.560
   17    H    LYS   5           H        LYS   5 -13.941  -3.963  -0.073
   18    HA   LYS   5           HA       LYS   5 -14.224  -1.766  -0.627
   19   1HB   LYS   5          2HB       LYS   5 -15.390  -1.469   1.505
   20   1HG   LYS   5          2HG       LYS   5 -14.951   0.853   2.034
   21   1HD   LYS   5          2HD       LYS   5 -15.159   1.837  -0.207
   22   1HE   LYS   5          2HE       LYS   5 -17.102   0.524  -0.992
   23   1HZ   LYS   5          1HZ       LYS   5 -18.427   0.790   0.962
   24   2HZ   LYS   5          2HZ       LYS   5 -17.330   2.081   0.874
   25   3HZ   LYS   5          3HZ       LYS   5 -17.056   0.811   1.964
   26    H    ARG   6           H        ARG   6 -12.813  -0.064  -1.332
   27    HA   ARG   6           HA       ARG   6 -10.014  -0.759  -0.817
   28   1HB   ARG   6          2HB       ARG   6 -10.935  -0.883  -3.128
   29   1HG   ARG   6          2HG       ARG   6  -8.719   1.130  -2.792
   30   1HD   ARG   6          2HD       ARG   6  -9.476  -0.594  -5.149
   31    HE   ARG   6           HE       ARG   6  -6.963   0.385  -4.520
   32   1HH1  ARG   6          2HH1      ARG   6  -9.226   0.690  -7.167
   33   2HH1  ARG   6          1HH1      ARG   6  -7.990   0.874  -8.373
   34   1HH2  ARG   6          2HH2      ARG   6  -5.337   0.656  -6.090
   35   2HH2  ARG   6          1HH2      ARG   6  -5.772   0.867  -7.760
   36    HA   PRO   7           HA       PRO   7 -10.040   3.662   0.770
   37   1HB   PRO   7          2HB       PRO   7 -10.071   3.072   3.504
   38   1HG   PRO   7          2HG       PRO   7 -11.314   1.204   3.795
   39   1HD   PRO   7          2HD       PRO   7 -10.095   0.075   2.197
   40    H    PHE   8           H        PHE   8  -8.547   0.693   1.397
   41    HA   PHE   8           HA       PHE   8  -6.387   1.535   3.037
   42   1HB   PHE   8          2HB       PHE   8  -6.577  -0.912   1.265
   43    HD1  PHE   8           1HD      PHE   8  -8.453   0.649   3.756
   44    HD2  PHE   8           2HD      PHE   8  -6.667  -3.085   2.765
   45    HE1  PHE   8           1HE      PHE   8 -10.094  -0.509   5.173
   46    HE2  PHE   8           2HE      PHE   8  -8.298  -4.251   4.181
   47    HZ   PHE   8           HZ       PHE   8 -10.020  -2.957   5.389
   48    H    VAL   9           H        VAL   9  -4.415   2.269   2.449
   49    HA   VAL   9           HA       VAL   9  -3.599   2.091  -0.343
   50    HB   VAL   9           HB       VAL   9  -4.742   4.286   0.183
   51   1HG1  VAL   9          1HG1      VAL   9  -3.942   5.790   1.664
   52   2HG1  VAL   9          2HG1      VAL   9  -3.374   4.318   2.453
   53   3HG1  VAL   9          3HG1      VAL   9  -2.268   5.265   1.456
   54   1HG2  VAL   9          1HG2      VAL   9  -3.169   5.605  -1.103
   55   2HG2  VAL   9          2HG2      VAL   9  -1.869   4.480  -0.711
   56   3HG2  VAL   9          3HG2      VAL   9  -3.211   3.958  -1.731
   57    H    CYS  10           H        CYS  10  -1.410   1.876  -0.596
   58    HA   CYS  10           HA       CYS  10   0.038   0.791   1.498
   59   1HB   CYS  10          2HB       CYS  10   0.559   0.354  -0.832
   60    H    ARG  11           H        ARG  11   1.362   1.548   2.971
   61    HA   ARG  11           HA       ARG  11   1.286   4.270   3.704
   62   1HB   ARG  11          2HB       ARG  11   3.217   2.155   4.673
   63   1HG   ARG  11          2HG       ARG  11   0.467   2.805   5.703
   64   1HD   ARG  11          2HD       ARG  11   2.579   0.914   6.732
   65    HE   ARG  11           HE       ARG  11  -0.184   0.744   7.102
   66   1HH1  ARG  11          2HH1      ARG  11   2.748   0.868   9.020
   67   2HH1  ARG  11          1HH1      ARG  11   2.059  -0.016  10.346
   68   1HH2  ARG  11          2HH2      ARG  11  -1.071  -0.471   8.805
   69   2HH2  ARG  11          1HH2      ARG  11  -0.119  -0.779  10.226
   70    H    ILE  12           H        ILE  12   3.702   2.221   2.164
   71    HA   ILE  12           HA       ILE  12   5.724   4.202   2.336
   72    HB   ILE  12           HB       ILE  12   5.716   1.694   0.659
   73   1HG1  ILE  12          2HG1      ILE  12   5.355   1.177   3.025
   74   1HG2  ILE  12          1HG2      ILE  12   7.399   3.426   0.044
   75   2HG2  ILE  12          2HG2      ILE  12   8.056   3.298   1.674
   76   3HG2  ILE  12          3HG2      ILE  12   8.101   1.904   0.593
   77   1HD1  ILE  12          1HD1      ILE  12   7.970   2.463   3.699
   78   2HD1  ILE  12          2HD1      ILE  12   6.433   3.305   3.894
   79   3HD1  ILE  12          3HD1      ILE  12   6.740   1.814   4.783
   80    H    CYS  13           H        CYS  13   3.978   2.808  -0.473
   81    HA   CYS  13           HA       CYS  13   4.777   5.191  -1.960
   82   1HB   CYS  13          2HB       CYS  13   4.074   4.095  -4.012
   83    H    LEU  14           H        LEU  14   2.057   4.068  -3.377
   84    HA   LEU  14           HA       LEU  14   0.061   5.143  -1.632
   85   1HB   LEU  14          2HB       LEU  14   0.831   6.681  -4.109
   86    HG   LEU  14           HG       LEU  14   1.815   7.525  -1.986
   87   1HD1  LEU  14          1HD1      LEU  14   1.639   9.262  -3.453
   88   2HD1  LEU  14          2HD1      LEU  14  -0.102   9.067  -3.646
   89   3HD1  LEU  14          3HD1      LEU  14   0.543   9.841  -2.199
   90   1HD2  LEU  14          1HD2      LEU  14  -0.648   8.628  -0.946
   91   2HD2  LEU  14          2HD2      LEU  14  -0.674   6.863  -0.938
   92   3HD2  LEU  14          3HD2      LEU  14   0.624   7.730  -0.116
   93    H    SER  15           H        SER  15   0.604   2.681  -2.942
   94    HA   SER  15           HA       SER  15  -1.364   2.439  -5.061
   95   1HB   SER  15          2HB       SER  15   0.199   0.303  -3.580
   96    HG   SER  15           HG       SER  15   1.642   1.563  -4.720
   97    H    ALA  16           H        ALA  16  -3.476   2.156  -4.659
   98    HA   ALA  16           HA       ALA  16  -4.334   1.598  -1.933
   99   1HB   ALA  16          1HB       ALA  16  -5.339   3.351  -3.620
  100   2HB   ALA  16          2HB       ALA  16  -6.293   1.965  -4.149
  101   3HB   ALA  16          3HB       ALA  16  -6.370   2.500  -2.469
  102    H    PHE  17           H        PHE  17  -5.421  -0.216  -1.262
  103    HA   PHE  17           HA       PHE  17  -6.014  -2.294  -3.252
  104   1HB   PHE  17          2HB       PHE  17  -4.512  -2.821  -0.675
  105    HD1  PHE  17           1HD      PHE  17  -3.686  -4.884  -3.393
  106    HD2  PHE  17           2HD      PHE  17  -2.816  -1.108  -1.645
  107    HE1  PHE  17           1HE      PHE  17  -1.521  -4.851  -4.553
  108    HE2  PHE  17           2HE      PHE  17  -0.658  -1.062  -2.815
  109    HZ   PHE  17           HZ       PHE  17  -0.007  -2.931  -4.274
  110    H    THR  18           H        THR  18  -7.812  -3.507  -2.782
  111    HA   THR  18           HA       THR  18  -9.711  -2.485  -0.978
  112    HB   THR  18           HB       THR  18 -10.927  -4.673  -1.455
  113    HG1  THR  18           1HG      THR  18  -9.359  -5.214  -3.625
  114   1HG2  THR  18          1HG2      THR  18 -10.659  -3.923  -4.126
  115   2HG2  THR  18          2HG2      THR  18 -10.309  -2.457  -3.211
  116   3HG2  THR  18          3HG2      THR  18 -11.835  -3.306  -2.968
  117    H    THR  19           H        THR  19  -7.588  -5.319  -0.745
  118    HA   THR  19           HA       THR  19  -8.503  -5.646   2.025
  119    HB   THR  19           HB       THR  19  -7.765  -7.933   1.938
  120    HG1  THR  19           1HG      THR  19  -6.942  -8.657  -0.251
  121   1HG2  THR  19          1HG2      THR  19  -9.651  -8.513   0.904
  122   2HG2  THR  19          2HG2      THR  19  -8.916  -8.192  -0.666
  123   3HG2  THR  19          3HG2      THR  19  -9.744  -6.898   0.201
  124    H    LYS  20           H        LYS  20  -7.047  -5.849   3.689
  125    HA   LYS  20           HA       LYS  20  -4.506  -4.588   3.575
  126   1HB   LYS  20          2HB       LYS  20  -5.670  -6.578   5.527
  127   1HG   LYS  20          2HG       LYS  20  -5.132  -3.659   5.781
  128   1HD   LYS  20          2HD       LYS  20  -6.364  -5.615   7.710
  129   1HE   LYS  20          2HE       LYS  20  -5.836  -2.663   7.998
  130   1HZ   LYS  20          1HZ       LYS  20  -5.993  -4.672   9.930
  131   2HZ   LYS  20          2HZ       LYS  20  -7.421  -3.765  10.036
  132   3HZ   LYS  20          3HZ       LYS  20  -5.916  -2.993  10.170
  133    H    ALA  21           H        ALA  21  -5.753  -7.743   3.131
  134    HA   ALA  21           HA       ALA  21  -3.521  -9.282   3.344
  135   1HB   ALA  21          1HB       ALA  21  -5.079 -10.469   1.346
  136   2HB   ALA  21          2HB       ALA  21  -5.179 -10.752   3.084
  137   3HB   ALA  21          3HB       ALA  21  -6.209  -9.530   2.331
  138    H    ASN  22           H        ASN  22  -4.775  -7.595   0.461
  139    HA   ASN  22           HA       ASN  22  -2.765  -8.574  -1.310
  140   1HB   ASN  22          2HB       ASN  22  -4.402  -6.038  -1.532
  141   1HD2  ASN  22          1HD2      ASN  22  -6.395  -6.254  -2.211
  142   2HD2  ASN  22          2HD2      ASN  22  -7.125  -7.705  -2.802
  143    H    CYS  23           H        CYS  23  -3.044  -5.712   0.717
  144    HA   CYS  23           HA       CYS  23  -0.773  -4.351  -0.191
  145   1HB   CYS  23          2HB       CYS  23  -2.505  -3.312   1.221
  146    HG   CYS  23           HG       CYS  23  -0.188  -1.818   1.103
  147    H    ALA  24           H        ALA  24  -1.153  -6.835   2.286
  148    HA   ALA  24           HA       ALA  24   1.372  -6.701   3.454
  149   1HB   ALA  24          1HB       ALA  24   0.629  -9.412   3.429
  150   2HB   ALA  24          2HB       ALA  24   0.383  -8.230   4.715
  151   3HB   ALA  24          3HB       ALA  24  -0.868  -8.480   3.496
  152    H    ARG  25           H        ARG  25   0.308  -8.732   0.716
  153    HA   ARG  25           HA       ARG  25   2.888  -9.860   0.303
  154   1HB   ARG  25          2HB       ARG  25   1.986 -10.790  -1.749
  155   1HG   ARG  25          2HG       ARG  25  -0.406  -9.036  -1.267
  156   1HD   ARG  25          2HD       ARG  25   0.031 -11.289  -3.215
  157    HE   ARG  25           HE       ARG  25  -1.537  -9.062  -3.647
  158   1HH1  ARG  25          2HH1      ARG  25  -2.123 -12.497  -3.277
  159   2HH1  ARG  25          1HH1      ARG  25  -3.399 -12.534  -4.464
  160   1HH2  ARG  25          2HH2      ARG  25  -3.220  -9.113  -5.194
  161   2HH2  ARG  25          1HH2      ARG  25  -4.014 -10.618  -5.551
  162    H    HIS  26           H        HIS  26   1.268  -7.017  -0.831
  163    HA   HIS  26           HA       HIS  26   2.911  -6.281  -2.992
  164   1HB   HIS  26          2HB       HIS  26   0.861  -5.112  -2.695
  165    HD1  HIS  26           1HD      HIS  26   2.454  -3.746  -4.536
  166    HD2  HIS  26           2HD      HIS  26   2.373  -2.358  -0.613
  167    HE1  HIS  26           1HE      HIS  26   3.444  -1.397  -4.567
  168    H    LEU  27           H        LEU  27   3.145  -5.662   0.466
  169    HA   LEU  27           HA       LEU  27   4.929  -3.666   0.602
  170   1HB   LEU  27          2HB       LEU  27   3.778  -4.699   2.511
  171    HG   LEU  27           HG       LEU  27   6.758  -4.503   2.950
  172   1HD1  LEU  27          1HD1      LEU  27   6.084  -2.422   2.150
  173   2HD1  LEU  27          2HD1      LEU  27   4.531  -2.500   2.983
  174   3HD1  LEU  27          3HD1      LEU  27   6.015  -2.244   3.903
  175   1HD2  LEU  27          1HD2      LEU  27   5.511  -5.741   4.723
  176   2HD2  LEU  27          2HD2      LEU  27   6.278  -4.254   5.278
  177   3HD2  LEU  27          3HD2      LEU  27   4.540  -4.289   4.977
  178    H    LYS  28           H        LYS  28   5.791  -7.011  -0.033
  179    HA   LYS  28           HA       LYS  28   8.449  -7.063   0.580
  180   1HB   LYS  28          2HB       LYS  28   8.719  -8.848  -1.059
  181   1HG   LYS  28          2HG       LYS  28   5.967  -8.141  -2.053
  182   1HD   LYS  28          2HD       LYS  28   7.890 -10.326  -2.845
  183   1HE   LYS  28          2HE       LYS  28   6.681  -9.423  -4.769
  184   1HZ   LYS  28          1HZ       LYS  28   4.105 -10.365  -3.850
  185   2HZ   LYS  28          2HZ       LYS  28   4.492  -9.014  -4.800
  186   3HZ   LYS  28          3HZ       LYS  28   4.638  -8.935  -3.110
  187    H    VAL  29           H        VAL  29   7.021  -5.495  -2.231
  188    HA   VAL  29           HA       VAL  29   9.344  -5.291  -3.782
  189    HB   VAL  29           HB       VAL  29   8.278  -3.449  -4.977
  190   1HG1  VAL  29          1HG1      VAL  29   7.547  -5.506  -5.752
  191   2HG1  VAL  29          2HG1      VAL  29   6.625  -5.846  -4.288
  192   3HG1  VAL  29          3HG1      VAL  29   6.043  -4.641  -5.438
  193   1HG2  VAL  29          1HG2      VAL  29   7.120  -2.017  -3.678
  194   2HG2  VAL  29          2HG2      VAL  29   5.771  -3.094  -4.034
  195   3HG2  VAL  29          3HG2      VAL  29   6.665  -3.269  -2.522
  196    H    HIS  30           H        HIS  30   8.138  -3.230  -1.183
  197    HA   HIS  30           HA       HIS  30  10.201  -1.257  -1.533
  198   1HB   HIS  30          2HB       HIS  30   8.315  -1.668   0.794
  199    HD1  HIS  30           1HD      HIS  30   8.688   0.892  -2.067
  200    HD2  HIS  30           2HD      HIS  30   5.817  -1.258   0.047
  201    HE1  HIS  30           1HE      HIS  30   6.430   1.594  -2.989
  202    H    THR  31           H        THR  31  11.433  -3.714  -1.309
  203    HA   THR  31           HA       THR  31  13.334  -3.188   0.668
  204    HB   THR  31           HB       THR  31  11.740  -3.952   2.315
  205    HG1  THR  31           1HG      THR  31  13.695  -5.986   1.855
  206   1HG2  THR  31          1HG2      THR  31  10.624  -6.010   2.313
  207   2HG2  THR  31          2HG2      THR  31  11.661  -6.670   1.047
  208   3HG2  THR  31          3HG2      THR  31  10.470  -5.429   0.653
  209    H    ASP  32           H        ASP  32  11.858  -5.887  -1.176
  210    HA   ASP  32           HA       ASP  32  14.450  -7.122  -1.544
  211   1HB   ASP  32          2HB       ASP  32  11.785  -7.735  -2.840
  212    H    THR  33           H        THR  33  12.047  -5.716  -3.744
  213    HA   THR  33           HA       THR  33  14.017  -4.321  -5.266
  214    HB   THR  33           HB       THR  33  14.381  -6.533  -6.238
  215    HG1  THR  33           1HG      THR  33  12.827  -5.049  -8.112
  216   1HG2  THR  33          1HG2      THR  33  12.019  -7.343  -5.682
  217   2HG2  THR  33          2HG2      THR  33  12.713  -7.870  -7.215
  218   3HG2  THR  33          3HG2      THR  33  11.528  -6.564  -7.186
  219    H    LEU  34           H        LEU  34  13.067  -2.635  -6.311
  220    HA   LEU  34           HA       LEU  34  10.140  -2.623  -6.455
  221   1HB   LEU  34          2HB       LEU  34  10.031  -0.423  -5.500
  222    HG   LEU  34           HG       LEU  34  12.228   0.522  -6.196
  223   1HD1  LEU  34          1HD1      LEU  34  12.503   1.052  -3.405
  224   2HD1  LEU  34          2HD1      LEU  34  11.809   2.070  -4.667
  225   3HD1  LEU  34          3HD1      LEU  34  10.790   0.916  -3.805
  226   1HD2  LEU  34          1HD2      LEU  34  13.223  -1.662  -4.574
  227   2HD2  LEU  34          2HD2      LEU  34  14.074  -0.640  -5.733
  228   3HD2  LEU  34          3HD2      LEU  34  13.883  -0.109  -4.062
  229    H    SER  35           H        SER  35   9.237  -1.385  -8.020
  230    HA   SER  35           HA       SER  35  10.772   0.310  -9.743
  231   1HB   SER  35          2HB       SER  35  10.298  -1.073 -11.796
  232    HG   SER  35           HG       SER  35   8.748  -2.431 -10.403
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -10.055 -15.730  -1.108
    2   2H    GLY   1          2H        GLY   1  -9.979 -16.237   0.508
    3   3H    GLY   1          3H        GLY   1  -8.594 -15.627  -0.255
    4   1HA   GLY   1          2HA       GLY   1 -10.290 -14.197   1.302
    5   2HA   GLY   1          1HA       GLY   1  -9.123 -13.525   0.170
    6    H    SER   2           H        SER   2 -11.993 -12.844   1.080
    7    HA   SER   2           HA       SER   2 -13.599 -13.084  -1.247
    8   1HB   SER   2          2HB       SER   2 -15.062 -11.406  -0.049
    9    HG   SER   2           HG       SER   2 -14.225 -11.398   2.318
   10    H    SER   3           H        SER   3 -11.748 -10.401   0.151
   11    HA   SER   3           HA       SER   3 -10.856  -8.511  -0.719
   12   1HB   SER   3          2HB       SER   3  -9.901  -9.992  -2.438
   13    HG   SER   3           HG       SER   3 -10.388  -8.185  -4.246
   14    H    GLY   4           H        GLY   4 -11.732  -6.531  -0.840
   15   1HA   GLY   4          1HA       GLY   4 -13.847  -5.789  -2.589
   16   2HA   GLY   4          2HA       GLY   4 -14.510  -6.219  -1.017
   17    H    LYS   5           H        LYS   5 -14.379  -3.617  -2.469
   18    HA   LYS   5           HA       LYS   5 -14.195  -1.419  -1.947
   19   1HB   LYS   5          2HB       LYS   5 -15.106  -2.192   0.203
   20   1HG   LYS   5          2HG       LYS   5 -12.957  -0.197   0.820
   21   1HD   LYS   5          2HD       LYS   5 -15.689  -0.733   1.955
   22   1HE   LYS   5          2HE       LYS   5 -13.601   1.278   2.786
   23   1HZ   LYS   5          1HZ       LYS   5 -14.647   0.782   4.740
   24   2HZ   LYS   5          2HZ       LYS   5 -16.106   0.349   3.994
   25   3HZ   LYS   5          3HZ       LYS   5 -15.689   1.986   4.151
   26    H    ARG   6           H        ARG   6 -12.447   0.263  -1.097
   27    HA   ARG   6           HA       ARG   6  -9.742  -0.830  -1.353
   28   1HB   ARG   6          2HB       ARG   6 -10.921   1.228  -3.198
   29   1HG   ARG   6          2HG       ARG   6  -9.243  -1.216  -3.718
   30   1HD   ARG   6          2HD       ARG   6 -10.508   0.695  -5.677
   31    HE   ARG   6           HE       ARG   6  -8.475  -0.944  -6.731
   32   1HH1  ARG   6          2HH1      ARG   6 -11.838  -1.065  -5.773
   33   2HH1  ARG   6          1HH1      ARG   6 -12.207  -2.441  -6.775
   34   1HH2  ARG   6          2HH2      ARG   6  -8.933  -2.746  -8.036
   35   2HH2  ARG   6          1HH2      ARG   6 -10.540  -3.411  -8.042
   36    HA   PRO   7           HA       PRO   7 -10.127   2.667   1.712
   37   1HB   PRO   7          2HB       PRO   7  -9.499   0.791   3.802
   38   1HG   PRO   7          2HG       PRO   7 -10.901  -0.963   3.378
   39   1HD   PRO   7          2HD       PRO   7  -9.578  -1.176   1.486
   40    H    PHE   8           H        PHE   8  -8.001  -0.135   1.825
   41    HA   PHE   8           HA       PHE   8  -5.974   1.177   3.283
   42   1HB   PHE   8          2HB       PHE   8  -5.595  -1.348   1.686
   43    HD1  PHE   8           1HD      PHE   8  -7.404  -2.737   1.709
   44    HD2  PHE   8           2HD      PHE   8  -6.429  -0.558   5.222
   45    HE1  PHE   8           1HE      PHE   8  -9.203  -3.894   2.899
   46    HE2  PHE   8           2HE      PHE   8  -8.234  -1.721   6.441
   47    HZ   PHE   8           HZ       PHE   8  -9.638  -3.379   5.265
   48    H    VAL   9           H        VAL   9  -4.354   2.418   2.578
   49    HA   VAL   9           HA       VAL   9  -3.523   2.159  -0.226
   50    HB   VAL   9           HB       VAL   9  -4.651   4.345   0.387
   51   1HG1  VAL   9          1HG1      VAL   9  -3.496   5.983   1.651
   52   2HG1  VAL   9          2HG1      VAL   9  -3.575   4.516   2.628
   53   3HG1  VAL   9          3HG1      VAL   9  -2.076   4.946   1.801
   54   1HG2  VAL   9          1HG2      VAL   9  -2.745   3.833  -1.409
   55   2HG2  VAL   9          2HG2      VAL   9  -3.462   5.431  -1.202
   56   3HG2  VAL   9          3HG2      VAL   9  -1.912   5.057  -0.452
   57    H    CYS  10           H        CYS  10  -1.328   1.981  -0.577
   58    HA   CYS  10           HA       CYS  10   0.201   0.871   1.463
   59   1HB   CYS  10          2HB       CYS  10   0.616   0.415  -0.877
   60    H    ARG  11           H        ARG  11   1.626   1.628   2.865
   61    HA   ARG  11           HA       ARG  11   1.628   4.400   3.474
   62   1HB   ARG  11          2HB       ARG  11   3.123   3.802   5.317
   63   1HG   ARG  11          2HG       ARG  11   3.051   0.998   4.221
   64   1HD   ARG  11          2HD       ARG  11   4.257   2.153   6.731
   65    HE   ARG  11           HE       ARG  11   5.031  -0.179   5.397
   66   1HH1  ARG  11          2HH1      ARG  11   4.073   0.915   8.577
   67   2HH1  ARG  11          1HH1      ARG  11   4.927  -0.350   9.414
   68   1HH2  ARG  11          2HH2      ARG  11   6.182  -1.827   6.482
   69   2HH2  ARG  11          1HH2      ARG  11   6.137  -1.910   8.221
   70    H    ILE  12           H        ILE  12   3.922   2.218   1.917
   71    HA   ILE  12           HA       ILE  12   6.051   4.133   2.015
   72    HB   ILE  12           HB       ILE  12   5.886   1.623   0.351
   73   1HG1  ILE  12          2HG1      ILE  12   5.656   1.111   2.739
   74   1HG2  ILE  12          1HG2      ILE  12   8.121   1.871  -0.134
   75   2HG2  ILE  12          2HG2      ILE  12   7.599   3.556  -0.122
   76   3HG2  ILE  12          3HG2      ILE  12   8.429   2.879   1.281
   77   1HD1  ILE  12          1HD1      ILE  12   8.153   2.747   3.059
   78   2HD1  ILE  12          2HD1      ILE  12   6.596   2.974   3.858
   79   3HD1  ILE  12          3HD1      ILE  12   7.593   1.573   4.251
   80    H    CYS  13           H        CYS  13   4.070   2.815  -0.657
   81    HA   CYS  13           HA       CYS  13   4.813   5.212  -2.156
   82   1HB   CYS  13          2HB       CYS  13   3.972   4.175  -4.185
   83    H    LEU  14           H        LEU  14   2.008   4.163  -3.439
   84    HA   LEU  14           HA       LEU  14   0.130   5.078  -1.508
   85   1HB   LEU  14          2HB       LEU  14   0.745   6.861  -3.859
   86    HG   LEU  14           HG       LEU  14   1.817   7.516  -1.726
   87   1HD1  LEU  14          1HD1      LEU  14   0.452   9.089  -3.507
   88   2HD1  LEU  14          2HD1      LEU  14  -0.196   9.612  -1.952
   89   3HD1  LEU  14          3HD1      LEU  14   1.543   9.671  -2.250
   90   1HD2  LEU  14          1HD2      LEU  14  -0.803   8.265  -0.564
   91   2HD2  LEU  14          2HD2      LEU  14  -0.346   6.564  -0.483
   92   3HD2  LEU  14          3HD2      LEU  14   0.698   7.792   0.231
   93    H    SER  15           H        SER  15   0.585   2.752  -3.006
   94    HA   SER  15           HA       SER  15  -1.516   2.646  -5.013
   95   1HB   SER  15          2HB       SER  15   0.146   0.428  -3.789
   96    HG   SER  15           HG       SER  15   1.547   1.668  -4.923
   97    H    ALA  16           H        ALA  16  -3.595   2.307  -4.491
   98    HA   ALA  16           HA       ALA  16  -4.264   1.503  -1.774
   99   1HB   ALA  16          1HB       ALA  16  -5.445   3.371  -3.106
  100   2HB   ALA  16          2HB       ALA  16  -6.300   2.051  -3.905
  101   3HB   ALA  16          3HB       ALA  16  -6.431   2.254  -2.157
  102    H    PHE  17           H        PHE  17  -5.092  -0.435  -1.199
  103    HA   PHE  17           HA       PHE  17  -5.702  -2.328  -3.361
  104   1HB   PHE  17          2HB       PHE  17  -4.258  -3.022  -0.796
  105    HD1  PHE  17           1HD      PHE  17  -2.625  -1.185  -1.730
  106    HD2  PHE  17           2HD      PHE  17  -3.421  -4.916  -3.617
  107    HE1  PHE  17           1HE      PHE  17  -0.533  -0.987  -3.010
  108    HE2  PHE  17           2HE      PHE  17  -1.328  -4.727  -4.892
  109    HZ   PHE  17           HZ       PHE  17   0.115  -2.756  -4.590
  110    H    THR  18           H        THR  18  -7.300  -3.816  -2.978
  111    HA   THR  18           HA       THR  18  -9.528  -2.860  -1.654
  112    HB   THR  18           HB       THR  18 -10.515  -5.108  -2.044
  113    HG1  THR  18           1HG      THR  18  -9.264  -6.738  -2.869
  114   1HG2  THR  18          1HG2      THR  18  -9.118  -3.556  -4.162
  115   2HG2  THR  18          2HG2      THR  18 -10.842  -3.841  -3.921
  116   3HG2  THR  18          3HG2      THR  18  -9.824  -5.109  -4.609
  117    H    THR  19           H        THR  19  -7.095  -5.135  -0.572
  118    HA   THR  19           HA       THR  19  -8.258  -5.122   2.117
  119    HB   THR  19           HB       THR  19  -7.890  -7.568   2.274
  120    HG1  THR  19           1HG      THR  19  -7.713  -8.617   0.101
  121   1HG2  THR  19          1HG2      THR  19  -9.788  -8.276   0.839
  122   2HG2  THR  19          2HG2      THR  19  -9.752  -6.690   0.068
  123   3HG2  THR  19          3HG2      THR  19 -10.134  -6.827   1.786
  124    H    LYS  20           H        LYS  20  -6.839  -5.758   3.771
  125    HA   LYS  20           HA       LYS  20  -4.145  -4.961   3.616
  126   1HB   LYS  20          2HB       LYS  20  -5.634  -6.739   5.532
  127   1HG   LYS  20          2HG       LYS  20  -4.297  -4.093   5.862
  128   1HD   LYS  20          2HD       LYS  20  -6.087  -5.622   7.742
  129   1HE   LYS  20          2HE       LYS  20  -6.312  -3.187   7.934
  130   1HZ   LYS  20          1HZ       LYS  20  -3.730  -2.674   9.022
  131   2HZ   LYS  20          2HZ       LYS  20  -4.586  -1.817   7.835
  132   3HZ   LYS  20          3HZ       LYS  20  -3.617  -3.135   7.393
  133    H    ALA  21           H        ALA  21  -5.778  -7.968   3.025
  134    HA   ALA  21           HA       ALA  21  -3.654  -9.710   3.025
  135   1HB   ALA  21          1HB       ALA  21  -5.089 -10.903   1.191
  136   2HB   ALA  21          2HB       ALA  21  -5.732 -10.729   2.823
  137   3HB   ALA  21          3HB       ALA  21  -6.262  -9.629   1.545
  138    H    ASN  22           H        ASN  22  -4.856  -7.625   0.424
  139    HA   ASN  22           HA       ASN  22  -2.860  -8.425  -1.482
  140   1HB   ASN  22          2HB       ASN  22  -4.715  -6.049  -1.384
  141   1HD2  ASN  22          1HD2      ASN  22  -6.680  -6.685  -1.846
  142   2HD2  ASN  22          2HD2      ASN  22  -7.101  -8.002  -2.868
  143    H    CYS  23           H        CYS  23  -3.218  -5.740   0.780
  144    HA   CYS  23           HA       CYS  23  -0.986  -4.262  -0.021
  145   1HB   CYS  23          2HB       CYS  23  -2.720  -3.363   1.460
  146    HG   CYS  23           HG       CYS  23  -0.865  -1.556   1.781
  147    H    ALA  24           H        ALA  24  -1.266  -6.943   2.269
  148    HA   ALA  24           HA       ALA  24   1.277  -6.804   3.407
  149   1HB   ALA  24          1HB       ALA  24   0.752  -8.751   4.435
  150   2HB   ALA  24          2HB       ALA  24  -0.859  -8.343   3.842
  151   3HB   ALA  24          3HB       ALA  24   0.141  -9.496   2.958
  152    H    ARG  25           H        ARG  25   0.214  -8.730   0.588
  153    HA   ARG  25           HA       ARG  25   2.799  -9.775   0.081
  154   1HB   ARG  25          2HB       ARG  25   1.936 -10.479  -2.102
  155   1HG   ARG  25          2HG       ARG  25  -0.637  -9.105  -1.373
  156   1HD   ARG  25          2HD       ARG  25   0.211 -10.682  -3.799
  157    HE   ARG  25           HE       ARG  25  -1.945  -8.876  -3.538
  158   1HH1  ARG  25          2HH1      ARG  25  -1.147 -12.064  -4.747
  159   2HH1  ARG  25          1HH1      ARG  25  -2.467 -12.113  -5.874
  160   1HH2  ARG  25          2HH2      ARG  25  -3.720  -8.959  -5.030
  161   2HH2  ARG  25          1HH2      ARG  25  -3.920 -10.366  -6.035
  162    H    HIS  26           H        HIS  26   1.110  -6.913  -1.010
  163    HA   HIS  26           HA       HIS  26   2.926  -6.079  -3.007
  164   1HB   HIS  26          2HB       HIS  26   0.784  -5.015  -2.894
  165    HD1  HIS  26           1HD      HIS  26   2.343  -3.627  -4.688
  166    HD2  HIS  26           2HD      HIS  26   2.296  -2.225  -0.764
  167    HE1  HIS  26           1HE      HIS  26   3.412  -1.317  -4.713
  168    H    LEU  27           H        LEU  27   2.656  -5.325   0.425
  169    HA   LEU  27           HA       LEU  27   4.307  -3.243   0.640
  170   1HB   LEU  27          2HB       LEU  27   2.940  -4.214   2.462
  171    HG   LEU  27           HG       LEU  27   5.800  -3.718   3.299
  172   1HD1  LEU  27          1HD1      LEU  27   5.295  -1.455   3.439
  173   2HD1  LEU  27          2HD1      LEU  27   4.517  -1.944   1.934
  174   3HD1  LEU  27          3HD1      LEU  27   3.555  -1.735   3.397
  175   1HD2  LEU  27          1HD2      LEU  27   3.419  -4.432   4.774
  176   2HD2  LEU  27          2HD2      LEU  27   5.088  -4.288   5.326
  177   3HD2  LEU  27          3HD2      LEU  27   4.048  -2.864   5.277
  178    H    LYS  28           H        LYS  28   5.391  -6.593   0.577
  179    HA   LYS  28           HA       LYS  28   8.010  -6.189   1.396
  180   1HB   LYS  28          2HB       LYS  28   8.560  -8.324   0.397
  181   1HG   LYS  28          2HG       LYS  28   5.857  -8.290  -0.915
  182   1HD   LYS  28          2HD       LYS  28   8.126 -10.274  -0.961
  183   1HE   LYS  28          2HE       LYS  28   5.445 -10.374  -2.331
  184   1HZ   LYS  28          1HZ       LYS  28   6.453 -12.364  -3.380
  185   2HZ   LYS  28          2HZ       LYS  28   6.134 -12.552  -1.725
  186   3HZ   LYS  28          3HZ       LYS  28   7.721 -12.277  -2.258
  187    H    VAL  29           H        VAL  29   6.586  -5.606  -1.769
  188    HA   VAL  29           HA       VAL  29   8.783  -5.757  -3.409
  189    HB   VAL  29           HB       VAL  29   7.769  -4.207  -4.942
  190   1HG1  VAL  29          1HG1      VAL  29   5.265  -5.080  -4.666
  191   2HG1  VAL  29          2HG1      VAL  29   6.582  -6.092  -5.261
  192   3HG1  VAL  29          3HG1      VAL  29   6.084  -6.198  -3.573
  193   1HG2  VAL  29          1HG2      VAL  29   5.423  -3.302  -3.745
  194   2HG2  VAL  29          2HG2      VAL  29   6.693  -3.002  -2.557
  195   3HG2  VAL  29          3HG2      VAL  29   6.835  -2.342  -4.188
  196    H    HIS  30           H        HIS  30   8.026  -3.240  -1.113
  197    HA   HIS  30           HA       HIS  30   9.990  -1.397  -2.100
  198   1HB   HIS  30          2HB       HIS  30   8.432  -1.470   0.487
  199    HD1  HIS  30           1HD      HIS  30   8.639   0.798  -2.609
  200    HD2  HIS  30           2HD      HIS  30   5.862  -1.109  -0.154
  201    HE1  HIS  30           1HE      HIS  30   6.340   1.495  -3.420
  202    H    THR  31           H        THR  31  11.079  -3.947  -1.575
  203    HA   THR  31           HA       THR  31  13.491  -3.289  -0.477
  204    HB   THR  31           HB       THR  31  12.488  -3.142   1.734
  205    HG1  THR  31           1HG      THR  31  14.308  -5.173   1.133
  206   1HG2  THR  31          1HG2      THR  31  11.492  -5.104   2.844
  207   2HG2  THR  31          2HG2      THR  31  11.594  -5.999   1.328
  208   3HG2  THR  31          3HG2      THR  31  10.546  -4.586   1.448
  209    H    ASP  32           H        ASP  32  11.148  -5.919  -0.706
  210    HA   ASP  32           HA       ASP  32  13.180  -7.808  -1.589
  211   1HB   ASP  32          2HB       ASP  32  11.277  -8.483  -0.087
  212    H    THR  33           H        THR  33  13.697  -7.945  -3.673
  213    HA   THR  33           HA       THR  33  12.370  -6.306  -5.586
  214    HB   THR  33           HB       THR  33  14.063  -7.226  -7.185
  215    HG1  THR  33           1HG      THR  33  14.984  -9.039  -6.599
  216   1HG2  THR  33          1HG2      THR  33  16.061  -6.316  -5.753
  217   2HG2  THR  33          2HG2      THR  33  14.784  -5.876  -4.620
  218   3HG2  THR  33          3HG2      THR  33  14.765  -5.232  -6.261
  219    H    LEU  34           H        LEU  34  11.063  -6.843  -7.228
  220    HA   LEU  34           HA       LEU  34   9.955  -9.519  -7.296
  221   1HB   LEU  34          2HB       LEU  34   9.404  -7.120  -9.052
  222    HG   LEU  34           HG       LEU  34   8.619  -6.697  -6.769
  223   1HD1  LEU  34          1HD1      LEU  34   6.093  -6.645  -7.380
  224   2HD1  LEU  34          2HD1      LEU  34   7.240  -5.664  -8.295
  225   3HD1  LEU  34          3HD1      LEU  34   6.656  -7.189  -8.962
  226   1HD2  LEU  34          1HD2      LEU  34   6.496  -8.501  -6.486
  227   2HD2  LEU  34          2HD2      LEU  34   7.907  -9.478  -6.899
  228   3HD2  LEU  34          3HD2      LEU  34   7.959  -8.399  -5.505
  229    H    SER  35           H        SER  35  12.592  -9.671  -7.788
  230    HA   SER  35           HA       SER  35  12.745 -10.792 -10.428
  231   1HB   SER  35          2HB       SER  35  13.180  -8.398 -10.902
  232    HG   SER  35           HG       SER  35  15.713  -9.631 -10.984
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1 -11.514  -8.920   7.636
    2   2H    GLY   1          2H        GLY   1 -10.975 -10.358   6.919
    3   3H    GLY   1          3H        GLY   1 -10.858 -10.150   8.598
    4   1HA   GLY   1          2HA       GLY   1 -12.725 -11.395   8.587
    5   2HA   GLY   1          1HA       GLY   1 -13.443  -9.805   8.382
    6    H    SER   2           H        SER   2 -12.825  -9.277   5.749
    7    HA   SER   2           HA       SER   2 -13.511 -11.385   3.980
    8   1HB   SER   2          2HB       SER   2 -15.789 -10.545   3.376
    9    HG   SER   2           HG       SER   2 -16.575  -8.838   4.310
   10    H    SER   3           H        SER   3 -15.164  -9.132   2.496
   11    HA   SER   3           HA       SER   3 -13.032  -8.153   0.915
   12   1HB   SER   3          2HB       SER   3 -15.856  -7.082   1.200
   13    HG   SER   3           HG       SER   3 -14.841  -8.810  -0.813
   14    H    GLY   4           H        GLY   4 -11.739  -6.438   1.188
   15   1HA   GLY   4          1HA       GLY   4 -11.745  -5.093   3.697
   16   2HA   GLY   4          2HA       GLY   4 -10.645  -4.798   2.361
   17    H    LYS   5           H        LYS   5 -10.628  -2.691   2.052
   18    HA   LYS   5           HA       LYS   5 -12.938  -1.278   1.146
   19   1HB   LYS   5          2HB       LYS   5 -13.180  -1.338   3.666
   20   1HG   LYS   5          2HG       LYS   5 -12.770   1.407   2.502
   21   1HD   LYS   5          2HD       LYS   5 -14.337   0.535   4.922
   22   1HE   LYS   5          2HE       LYS   5 -14.564   2.921   5.358
   23   1HZ   LYS   5          1HZ       LYS   5 -15.981   1.590   3.521
   24   2HZ   LYS   5          2HZ       LYS   5 -15.426   2.901   2.598
   25   3HZ   LYS   5          3HZ       LYS   5 -16.316   3.176   4.016
   26    H    ARG   6           H        ARG   6 -12.186   1.169   0.921
   27    HA   ARG   6           HA       ARG   6  -9.915   0.967  -0.727
   28   1HB   ARG   6          2HB       ARG   6 -11.870   2.259  -1.355
   29   1HG   ARG   6          2HG       ARG   6 -10.830   4.250  -2.228
   30   1HD   ARG   6          2HD       ARG   6  -8.856   3.277  -3.315
   31    HE   ARG   6           HE       ARG   6 -11.381   2.105  -3.454
   32   1HH1  ARG   6          2HH1      ARG   6  -8.049   1.249  -4.071
   33   2HH1  ARG   6          1HH1      ARG   6  -8.419   0.121  -5.335
   34   1HH2  ARG   6          2HH2      ARG   6 -11.894   0.606  -5.133
   35   2HH2  ARG   6          1HH2      ARG   6 -10.602  -0.246  -5.941
   36    HA   PRO   7           HA       PRO   7  -7.800   4.148   2.303
   37   1HB   PRO   7          2HB       PRO   7  -8.199   3.744   4.930
   38   1HG   PRO   7          2HG       PRO   7  -9.538   1.815   4.668
   39   1HD   PRO   7          2HD       PRO   7 -10.905   1.520   2.813
   40    H    PHE   8           H        PHE   8  -7.485   1.236   1.580
   41    HA   PHE   8           HA       PHE   8  -5.523   0.336   3.557
   42   1HB   PHE   8          2HB       PHE   8  -6.690  -1.006   1.107
   43    HD1  PHE   8           1HD      PHE   8  -7.943   0.287   3.856
   44    HD2  PHE   8           2HD      PHE   8  -7.157  -3.589   2.306
   45    HE1  PHE   8           1HE      PHE   8  -9.780  -0.616   5.208
   46    HE2  PHE   8           2HE      PHE   8  -8.987  -4.511   3.650
   47    HZ   PHE   8           HZ       PHE   8 -10.311  -3.008   5.117
   48    H    VAL   9           H        VAL   9  -4.813   2.631   2.260
   49    HA   VAL   9           HA       VAL   9  -3.361   2.098  -0.132
   50    HB   VAL   9           HB       VAL   9  -4.415   4.315   0.454
   51   1HG1  VAL   9          1HG1      VAL   9  -3.199   4.178   2.791
   52   2HG1  VAL   9          2HG1      VAL   9  -1.948   5.058   1.910
   53   3HG1  VAL   9          3HG1      VAL   9  -3.578   5.726   2.029
   54   1HG2  VAL   9          1HG2      VAL   9  -1.778   3.841  -0.721
   55   2HG2  VAL   9          2HG2      VAL   9  -3.176   4.705  -1.366
   56   3HG2  VAL   9          3HG2      VAL   9  -2.080   5.514  -0.246
   57    H    CYS  10           H        CYS  10  -1.182   1.987  -0.448
   58    HA   CYS  10           HA       CYS  10   0.386   0.792   1.547
   59   1HB   CYS  10          2HB       CYS  10   0.743   0.382  -0.810
   60    H    ARG  11           H        ARG  11   1.846   1.560   2.910
   61    HA   ARG  11           HA       ARG  11   1.793   4.304   3.616
   62   1HB   ARG  11          2HB       ARG  11   3.353   3.688   5.366
   63   1HG   ARG  11          2HG       ARG  11   3.648   1.074   3.908
   64   1HD   ARG  11          2HD       ARG  11   3.395   0.575   6.242
   65    HE   ARG  11           HE       ARG  11   4.586   3.011   6.816
   66   1HH1  ARG  11          2HH1      ARG  11   5.132  -0.307   7.743
   67   2HH1  ARG  11          1HH1      ARG  11   5.446   0.059   9.412
   68   1HH2  ARG  11          2HH2      ARG  11   5.011   3.528   9.032
   69   2HH2  ARG  11          1HH2      ARG  11   5.359   2.232  10.147
   70    H    ILE  12           H        ILE  12   4.042   2.266   1.815
   71    HA   ILE  12           HA       ILE  12   6.109   4.259   1.810
   72    HB   ILE  12           HB       ILE  12   5.946   1.751   0.144
   73   1HG1  ILE  12          2HG1      ILE  12   5.867   1.226   2.537
   74   1HG2  ILE  12          1HG2      ILE  12   7.761   3.953   0.160
   75   2HG2  ILE  12          2HG2      ILE  12   8.602   2.515   0.743
   76   3HG2  ILE  12          3HG2      ILE  12   7.801   2.493  -0.829
   77   1HD1  ILE  12          1HD1      ILE  12   7.523   3.451   2.869
   78   2HD1  ILE  12          2HD1      ILE  12   6.940   2.337   4.107
   79   3HD1  ILE  12          3HD1      ILE  12   8.489   2.045   3.316
   80    H    CYS  13           H        CYS  13   4.088   2.844  -0.798
   81    HA   CYS  13           HA       CYS  13   4.708   5.236  -2.352
   82   1HB   CYS  13          2HB       CYS  13   3.800   4.129  -4.321
   83    H    LEU  14           H        LEU  14   1.873   4.115  -3.517
   84    HA   LEU  14           HA       LEU  14   0.055   5.089  -1.549
   85   1HB   LEU  14          2HB       LEU  14   0.568   6.772  -3.995
   86    HG   LEU  14           HG       LEU  14   1.704   7.529  -1.930
   87   1HD1  LEU  14          1HD1      LEU  14   0.813   9.832  -1.979
   88   2HD1  LEU  14          2HD1      LEU  14   1.057   9.167  -3.594
   89   3HD1  LEU  14          3HD1      LEU  14  -0.567   9.256  -2.913
   90   1HD2  LEU  14          1HD2      LEU  14   0.543   8.114   0.012
   91   2HD2  LEU  14          2HD2      LEU  14  -1.018   8.107  -0.809
   92   3HD2  LEU  14          3HD2      LEU  14  -0.194   6.584  -0.467
   93    H    SER  15           H        SER  15   0.535   2.725  -3.029
   94    HA   SER  15           HA       SER  15  -1.635   2.491  -4.933
   95   1HB   SER  15          2HB       SER  15   0.095   0.349  -3.659
   96    HG   SER  15           HG       SER  15   1.446   1.614  -4.867
   97    H    ALA  16           H        ALA  16  -3.683   2.241  -4.297
   98    HA   ALA  16           HA       ALA  16  -4.232   1.406  -1.546
   99   1HB   ALA  16          1HB       ALA  16  -5.636   3.146  -1.819
  100   2HB   ALA  16          2HB       ALA  16  -5.660   2.987  -3.577
  101   3HB   ALA  16          3HB       ALA  16  -6.671   1.939  -2.583
  102    H    PHE  17           H        PHE  17  -4.935  -0.614  -1.080
  103    HA   PHE  17           HA       PHE  17  -5.768  -2.280  -3.351
  104   1HB   PHE  17          2HB       PHE  17  -4.476  -3.186  -0.767
  105    HD1  PHE  17           1HD      PHE  17  -2.796  -1.275  -1.638
  106    HD2  PHE  17           2HD      PHE  17  -3.483  -5.035  -3.517
  107    HE1  PHE  17           1HE      PHE  17  -0.625  -1.105  -2.775
  108    HE2  PHE  17           2HE      PHE  17  -1.307  -4.869  -4.651
  109    HZ   PHE  17           HZ       PHE  17   0.124  -2.903  -4.279
  110    H    THR  18           H        THR  18  -7.473  -3.714  -3.126
  111    HA   THR  18           HA       THR  18  -9.675  -2.713  -1.708
  112    HB   THR  18           HB       THR  18 -10.775  -4.885  -2.304
  113    HG1  THR  18           1HG      THR  18  -9.627  -6.471  -3.181
  114   1HG2  THR  18          1HG2      THR  18 -10.335  -4.491  -4.868
  115   2HG2  THR  18          2HG2      THR  18  -9.453  -3.082  -4.278
  116   3HG2  THR  18          3HG2      THR  18 -11.164  -3.274  -3.898
  117    H    THR  19           H        THR  19  -7.618  -5.529  -1.043
  118    HA   THR  19           HA       THR  19  -8.806  -5.650   1.642
  119    HB   THR  19           HB       THR  19  -8.235  -8.035   1.717
  120    HG1  THR  19           1HG      THR  19  -7.635  -9.015  -0.363
  121   1HG2  THR  19          1HG2      THR  19  -9.908  -7.125  -0.608
  122   2HG2  THR  19          2HG2      THR  19 -10.446  -7.600   1.004
  123   3HG2  THR  19          3HG2      THR  19  -9.806  -8.814  -0.105
  124    H    LYS  20           H        LYS  20  -7.480  -6.040   3.389
  125    HA   LYS  20           HA       LYS  20  -4.951  -4.853   3.482
  126   1HB   LYS  20          2HB       LYS  20  -6.233  -6.931   5.261
  127   1HG   LYS  20          2HG       LYS  20  -5.779  -4.014   5.660
  128   1HD   LYS  20          2HD       LYS  20  -7.301  -6.030   7.300
  129   1HE   LYS  20          2HE       LYS  20  -6.894  -3.077   7.756
  130   1HZ   LYS  20          1HZ       LYS  20  -7.056  -4.625   9.743
  131   2HZ   LYS  20          2HZ       LYS  20  -8.669  -4.882   9.279
  132   3HZ   LYS  20          3HZ       LYS  20  -8.142  -3.323   9.690
  133    H    ALA  21           H        ALA  21  -6.002  -8.101   2.890
  134    HA   ALA  21           HA       ALA  21  -3.629  -9.438   3.183
  135   1HB   ALA  21          1HB       ALA  21  -6.215  -9.939   1.940
  136   2HB   ALA  21          2HB       ALA  21  -4.893 -10.807   1.155
  137   3HB   ALA  21          3HB       ALA  21  -5.184 -11.020   2.882
  138    H    ASN  22           H        ASN  22  -4.909  -7.745   0.332
  139    HA   ASN  22           HA       ASN  22  -2.780  -8.527  -1.407
  140   1HB   ASN  22          2HB       ASN  22  -4.671  -6.180  -1.606
  141   1HD2  ASN  22          1HD2      ASN  22  -6.599  -6.657  -2.348
  142   2HD2  ASN  22          2HD2      ASN  22  -7.064  -8.145  -3.087
  143    H    CYS  23           H        CYS  23  -3.342  -5.700   0.635
  144    HA   CYS  23           HA       CYS  23  -1.120  -4.206  -0.203
  145   1HB   CYS  23          2HB       CYS  23  -3.006  -3.298   1.128
  146    HG   CYS  23           HG       CYS  23  -1.521  -1.238   1.463
  147    H    ALA  24           H        ALA  24  -1.476  -6.659   2.312
  148    HA   ALA  24           HA       ALA  24   1.019  -6.378   3.545
  149   1HB   ALA  24          1HB       ALA  24   0.059  -7.868   4.863
  150   2HB   ALA  24          2HB       ALA  24  -1.173  -8.202   3.644
  151   3HB   ALA  24          3HB       ALA  24   0.341  -9.105   3.635
  152    H    ARG  25           H        ARG  25   0.075  -8.515   0.840
  153    HA   ARG  25           HA       ARG  25   2.645  -9.685   0.581
  154   1HB   ARG  25          2HB       ARG  25   1.875 -10.615  -1.520
  155   1HG   ARG  25          2HG       ARG  25  -0.528  -8.821  -1.296
  156   1HD   ARG  25          2HD       ARG  25   0.180 -10.986  -3.269
  157    HE   ARG  25           HE       ARG  25  -1.376  -8.720  -3.744
  158   1HH1  ARG  25          2HH1      ARG  25  -1.714 -12.209  -3.958
  159   2HH1  ARG  25          1HH1      ARG  25  -2.814 -12.133  -5.297
  160   1HH2  ARG  25          2HH2      ARG  25  -2.813  -8.638  -5.503
  161   2HH2  ARG  25          1HH2      ARG  25  -3.444 -10.113  -6.174
  162    H    HIS  26           H        HIS  26   1.141  -6.847  -0.741
  163    HA   HIS  26           HA       HIS  26   2.895  -6.182  -2.809
  164   1HB   HIS  26          2HB       HIS  26   0.836  -5.005  -2.582
  165    HD1  HIS  26           1HD      HIS  26   2.446  -3.790  -4.484
  166    HD2  HIS  26           2HD      HIS  26   2.417  -2.162  -0.657
  167    HE1  HIS  26           1HE      HIS  26   3.467  -1.464  -4.663
  168    H    LEU  27           H        LEU  27   2.973  -5.351   0.604
  169    HA   LEU  27           HA       LEU  27   4.675  -3.321   0.656
  170   1HB   LEU  27          2HB       LEU  27   3.481  -4.258   2.589
  171    HG   LEU  27           HG       LEU  27   6.416  -3.872   3.192
  172   1HD1  LEU  27          1HD1      LEU  27   4.230  -1.814   3.359
  173   2HD1  LEU  27          2HD1      LEU  27   5.976  -1.574   3.439
  174   3HD1  LEU  27          3HD1      LEU  27   5.215  -2.031   1.912
  175   1HD2  LEU  27          1HD2      LEU  27   4.340  -3.115   5.135
  176   2HD2  LEU  27          2HD2      LEU  27   4.543  -4.848   4.880
  177   3HD2  LEU  27          3HD2      LEU  27   5.914  -3.866   5.390
  178    H    LYS  28           H        LYS  28   5.798  -6.687   0.558
  179    HA   LYS  28           HA       LYS  28   8.442  -6.254   1.174
  180   1HB   LYS  28          2HB       LYS  28   8.964  -8.376   0.102
  181   1HG   LYS  28          2HG       LYS  28   6.153  -8.353  -0.963
  182   1HD   LYS  28          2HD       LYS  28   8.354 -10.409  -1.119
  183   1HE   LYS  28          2HE       LYS  28   7.043 -10.341  -3.171
  184   1HZ   LYS  28          1HZ       LYS  28   4.636 -10.996  -2.951
  185   2HZ   LYS  28          2HZ       LYS  28   5.010  -9.400  -2.526
  186   3HZ   LYS  28          3HZ       LYS  28   4.745 -10.559  -1.315
  187    H    VAL  29           H        VAL  29   6.890  -5.524  -1.879
  188    HA   VAL  29           HA       VAL  29   9.070  -5.628  -3.590
  189    HB   VAL  29           HB       VAL  29   7.982  -3.990  -5.018
  190   1HG1  VAL  29          1HG1      VAL  29   5.505  -5.207  -4.388
  191   2HG1  VAL  29          2HG1      VAL  29   6.652  -5.632  -5.657
  192   3HG1  VAL  29          3HG1      VAL  29   6.785  -6.374  -4.062
  193   1HG2  VAL  29          1HG2      VAL  29   5.585  -3.466  -3.559
  194   2HG2  VAL  29          2HG2      VAL  29   6.972  -2.933  -2.609
  195   3HG2  VAL  29          3HG2      VAL  29   6.739  -2.325  -4.248
  196    H    HIS  30           H        HIS  30   8.197  -3.112  -1.294
  197    HA   HIS  30           HA       HIS  30  10.183  -1.255  -2.212
  198   1HB   HIS  30          2HB       HIS  30   8.573  -1.298   0.343
  199    HD1  HIS  30           1HD      HIS  30   8.672   0.846  -2.856
  200    HD2  HIS  30           2HD      HIS  30   6.003  -0.993  -0.228
  201    HE1  HIS  30           1HE      HIS  30   6.329   1.505  -3.593
  202    H    THR  31           H        THR  31  11.390  -3.716  -1.661
  203    HA   THR  31           HA       THR  31  13.630  -2.901  -0.258
  204    HB   THR  31           HB       THR  31  12.285  -3.074   1.789
  205    HG1  THR  31           1HG      THR  31  14.529  -3.604   1.847
  206   1HG2  THR  31          1HG2      THR  31  10.676  -4.772   1.191
  207   2HG2  THR  31          2HG2      THR  31  11.575  -5.305   2.613
  208   3HG2  THR  31          3HG2      THR  31  11.954  -5.977   1.028
  209    H    ASP  32           H        ASP  32  11.621  -5.672  -1.135
  210    HA   ASP  32           HA       ASP  32  13.834  -7.453  -1.570
  211   1HB   ASP  32          2HB       ASP  32  11.576  -8.295  -1.041
  212    H    THR  33           H        THR  33  11.586  -7.187  -4.192
  213    HA   THR  33           HA       THR  33  13.177  -5.468  -5.814
  214    HB   THR  33           HB       THR  33  14.562  -7.486  -5.982
  215    HG1  THR  33           1HG      THR  33  14.235  -7.764  -8.370
  216   1HG2  THR  33          1HG2      THR  33  12.083  -8.840  -6.016
  217   2HG2  THR  33          2HG2      THR  33  13.701  -9.537  -6.065
  218   3HG2  THR  33          3HG2      THR  33  12.862  -9.151  -7.567
  219    H    LEU  34           H        LEU  34  11.976  -4.646  -7.450
  220    HA   LEU  34           HA       LEU  34   9.179  -5.244  -7.394
  221   1HB   LEU  34          2HB       LEU  34  10.748  -3.286  -9.067
  222    HG   LEU  34           HG       LEU  34   8.990  -2.847  -6.657
  223   1HD1  LEU  34          1HD1      LEU  34  10.864  -1.952  -5.588
  224   2HD1  LEU  34          2HD1      LEU  34  11.464  -3.412  -6.375
  225   3HD1  LEU  34          3HD1      LEU  34  11.776  -1.830  -7.092
  226   1HD2  LEU  34          1HD2      LEU  34   8.515  -1.262  -8.520
  227   2HD2  LEU  34          2HD2      LEU  34   9.124  -0.507  -7.047
  228   3HD2  LEU  34          3HD2      LEU  34  10.197  -0.740  -8.426
  229    H    SER  35           H        SER  35  11.790  -5.630  -9.724
  230    HA   SER  35           HA       SER  35  10.400  -7.773 -11.049
  231   1HB   SER  35          2HB       SER  35  11.016  -5.233 -12.587
  232    HG   SER  35           HG       SER  35   8.761  -6.143 -11.367
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1 -13.936 -16.105  -3.390
    2   2H    GLY   1          2H        GLY   1 -15.506 -15.734  -2.862
    3   3H    GLY   1          3H        GLY   1 -14.306 -16.127  -1.734
    4   1HA   GLY   1          2HA       GLY   1 -13.231 -14.035  -3.113
    5   2HA   GLY   1          1HA       GLY   1 -14.930 -13.612  -2.930
    6    H    SER   2           H        SER   2 -12.301 -12.703  -1.660
    7    HA   SER   2           HA       SER   2 -13.389 -12.343   0.981
    8   1HB   SER   2          2HB       SER   2 -11.322 -13.252   2.107
    9    HG   SER   2           HG       SER   2 -10.853 -14.881  -0.102
   10    H    SER   3           H        SER   3 -12.992 -10.555  -0.963
   11    HA   SER   3           HA       SER   3 -11.307  -8.642   0.303
   12   1HB   SER   3          2HB       SER   3 -10.575  -9.539  -2.504
   13    HG   SER   3           HG       SER   3  -9.687 -10.375  -0.189
   14    H    GLY   4           H        GLY   4 -12.160  -6.664  -0.012
   15   1HA   GLY   4          1HA       GLY   4 -13.694  -5.864  -2.283
   16   2HA   GLY   4          2HA       GLY   4 -14.738  -6.471  -1.003
   17    H    LYS   5           H        LYS   5 -14.306  -3.740  -2.181
   18    HA   LYS   5           HA       LYS   5 -14.375  -1.572  -1.435
   19   1HB   LYS   5          2HB       LYS   5 -15.532  -2.119   0.580
   20   1HG   LYS   5          2HG       LYS   5 -14.597  -0.769   2.335
   21   1HD   LYS   5          2HD       LYS   5 -13.998   0.451  -0.351
   22   1HE   LYS   5          2HE       LYS   5 -14.604   1.729   2.313
   23   1HZ   LYS   5          1HZ       LYS   5 -15.131   2.738  -0.142
   24   2HZ   LYS   5          2HZ       LYS   5 -13.590   3.372   0.186
   25   3HZ   LYS   5          3HZ       LYS   5 -14.867   3.653   1.261
   26    H    ARG   6           H        ARG   6 -12.764  -0.094  -1.587
   27    HA   ARG   6           HA       ARG   6 -10.040  -1.132  -1.167
   28   1HB   ARG   6          2HB       ARG   6 -10.607  -0.601  -3.498
   29   1HG   ARG   6          2HG       ARG   6  -8.639   1.349  -2.321
   30   1HD   ARG   6          2HD       ARG   6  -9.294   1.953  -4.604
   31    HE   ARG   6           HE       ARG   6  -9.260  -0.773  -5.178
   32   1HH1  ARG   6          2HH1      ARG   6  -8.027   2.210  -6.507
   33   2HH1  ARG   6          1HH1      ARG   6  -8.075   1.661  -8.156
   34   1HH2  ARG   6          2HH2      ARG   6  -9.336  -1.521  -7.343
   35   2HH2  ARG   6          1HH2      ARG   6  -8.799  -0.471  -8.624
   36    HA   PRO   7           HA       PRO   7 -10.465   2.433   1.813
   37   1HB   PRO   7          2HB       PRO   7  -9.535   0.673   3.898
   38   1HG   PRO   7          2HG       PRO   7 -10.803  -1.204   3.593
   39   1HD   PRO   7          2HD       PRO   7  -9.595  -1.354   1.623
   40    H    PHE   8           H        PHE   8  -8.083  -0.148   1.855
   41    HA   PHE   8           HA       PHE   8  -6.109   1.402   3.146
   42   1HB   PHE   8          2HB       PHE   8  -5.677  -1.202   1.697
   43    HD1  PHE   8           1HD      PHE   8  -7.380  -2.669   2.092
   44    HD2  PHE   8           2HD      PHE   8  -6.036  -0.173   5.248
   45    HE1  PHE   8           1HE      PHE   8  -8.870  -3.851   3.637
   46    HE2  PHE   8           2HE      PHE   8  -7.525  -1.353   6.821
   47    HZ   PHE   8           HZ       PHE   8  -8.950  -3.196   6.012
   48    H    VAL   9           H        VAL   9  -4.517   2.595   2.386
   49    HA   VAL   9           HA       VAL   9  -3.718   2.266  -0.419
   50    HB   VAL   9           HB       VAL   9  -4.711   4.531   0.155
   51   1HG1  VAL   9          1HG1      VAL   9  -3.036   6.093   1.263
   52   2HG1  VAL   9          2HG1      VAL   9  -3.943   4.995   2.306
   53   3HG1  VAL   9          3HG1      VAL   9  -2.268   4.629   1.881
   54   1HG2  VAL   9          1HG2      VAL   9  -1.839   4.688  -0.727
   55   2HG2  VAL   9          2HG2      VAL   9  -3.122   4.034  -1.745
   56   3HG2  VAL   9          3HG2      VAL   9  -3.186   5.715  -1.217
   57    H    CYS  10           H        CYS  10  -1.496   1.996  -0.743
   58    HA   CYS  10           HA       CYS  10  -0.105   0.685   1.237
   59   1HB   CYS  10          2HB       CYS  10   0.478   0.419  -1.086
   60    H    ARG  11           H        ARG  11   1.296   1.181   2.733
   61    HA   ARG  11           HA       ARG  11   1.307   3.777   3.826
   62   1HB   ARG  11          2HB       ARG  11   3.146   1.482   4.524
   63   1HG   ARG  11          2HG       ARG  11   0.376   2.064   5.546
   64   1HD   ARG  11          2HD       ARG  11   1.784   1.240   7.339
   65    HE   ARG  11           HE       ARG  11   3.120  -0.285   5.490
   66   1HH1  ARG  11          2HH1      ARG  11   1.453  -0.950   8.494
   67   2HH1  ARG  11          1HH1      ARG  11   2.570  -2.186   8.987
   68   1HH2  ARG  11          2HH2      ARG  11   4.601  -1.902   6.148
   69   2HH2  ARG  11          1HH2      ARG  11   4.338  -2.753   7.639
   70    H    ILE  12           H        ILE  12   3.626   1.915   1.932
   71    HA   ILE  12           HA       ILE  12   5.659   3.893   2.337
   72    HB   ILE  12           HB       ILE  12   5.724   1.507   0.496
   73   1HG1  ILE  12          2HG1      ILE  12   5.398   0.828   2.827
   74   1HG2  ILE  12          1HG2      ILE  12   8.298   2.049   1.226
   75   2HG2  ILE  12          2HG2      ILE  12   7.547   2.563  -0.285
   76   3HG2  ILE  12          3HG2      ILE  12   7.613   3.667   1.091
   77   1HD1  ILE  12          1HD1      ILE  12   7.639   1.375   4.226
   78   2HD1  ILE  12          2HD1      ILE  12   7.396   2.895   3.368
   79   3HD1  ILE  12          3HD1      ILE  12   6.115   2.250   4.393
   80    H    CYS  13           H        CYS  13   3.979   2.669  -0.594
   81    HA   CYS  13           HA       CYS  13   4.790   5.139  -1.915
   82   1HB   CYS  13          2HB       CYS  13   4.035   4.197  -4.030
   83    H    LEU  14           H        LEU  14   2.064   4.158  -3.417
   84    HA   LEU  14           HA       LEU  14   0.086   5.143  -1.605
   85   1HB   LEU  14          2HB       LEU  14   0.840   6.833  -3.986
   86    HG   LEU  14           HG       LEU  14   1.855   7.561  -1.854
   87   1HD1  LEU  14          1HD1      LEU  14   1.268   9.839  -2.066
   88   2HD1  LEU  14          2HD1      LEU  14   1.080   9.136  -3.673
   89   3HD1  LEU  14          3HD1      LEU  14  -0.340   9.442  -2.673
   90   1HD2  LEU  14          1HD2      LEU  14  -0.758   8.408  -0.778
   91   2HD2  LEU  14          2HD2      LEU  14  -0.394   6.685  -0.663
   92   3HD2  LEU  14          3HD2      LEU  14   0.695   7.869   0.061
   93    H    SER  15           H        SER  15   0.646   2.780  -3.089
   94    HA   SER  15           HA       SER  15  -1.384   2.658  -5.161
   95   1HB   SER  15          2HB       SER  15   0.263   0.451  -3.897
   96    HG   SER  15           HG       SER  15   1.677   1.746  -4.976
   97    H    ALA  16           H        ALA  16  -3.478   2.237  -4.727
   98    HA   ALA  16           HA       ALA  16  -4.216   1.572  -2.003
   99   1HB   ALA  16          1HB       ALA  16  -6.478   2.118  -2.651
  100   2HB   ALA  16          2HB       ALA  16  -5.376   3.387  -3.189
  101   3HB   ALA  16          3HB       ALA  16  -6.000   2.209  -4.346
  102    H    PHE  17           H        PHE  17  -5.199  -0.289  -1.326
  103    HA   PHE  17           HA       PHE  17  -5.844  -2.323  -3.341
  104   1HB   PHE  17          2HB       PHE  17  -4.275  -2.932  -0.822
  105    HD1  PHE  17           1HD      PHE  17  -2.672  -1.096  -1.859
  106    HD2  PHE  17           2HD      PHE  17  -3.473  -4.901  -3.588
  107    HE1  PHE  17           1HE      PHE  17  -0.593  -0.942  -3.154
  108    HE2  PHE  17           2HE      PHE  17  -1.388  -4.750  -4.885
  109    HZ   PHE  17           HZ       PHE  17   0.056  -2.765  -4.668
  110    H    THR  18           H        THR  18  -7.525  -3.648  -2.823
  111    HA   THR  18           HA       THR  18  -9.543  -2.615  -1.241
  112    HB   THR  18           HB       THR  18 -10.645  -4.845  -1.512
  113    HG1  THR  18           1HG      THR  18  -9.301  -6.139  -3.183
  114   1HG2  THR  18          1HG2      THR  18  -9.836  -2.971  -3.530
  115   2HG2  THR  18          2HG2      THR  18 -11.345  -3.873  -3.387
  116   3HG2  THR  18          3HG2      THR  18  -9.966  -4.585  -4.224
  117    H    THR  19           H        THR  19  -7.107  -5.005  -0.386
  118    HA   THR  19           HA       THR  19  -8.025  -4.866   2.393
  119    HB   THR  19           HB       THR  19  -7.733  -7.303   2.649
  120    HG1  THR  19           1HG      THR  19  -7.913  -8.139   0.143
  121   1HG2  THR  19          1HG2      THR  19  -9.979  -6.425   2.210
  122   2HG2  THR  19          2HG2      THR  19  -9.762  -8.024   1.498
  123   3HG2  THR  19          3HG2      THR  19  -9.702  -6.589   0.476
  124    H    LYS  20           H        LYS  20  -6.485  -5.443   3.944
  125    HA   LYS  20           HA       LYS  20  -3.773  -4.803   3.419
  126   1HB   LYS  20          2HB       LYS  20  -5.178  -6.101   5.721
  127   1HG   LYS  20          2HG       LYS  20  -3.415  -3.712   5.430
  128   1HD   LYS  20          2HD       LYS  20  -4.932  -4.675   7.850
  129   1HE   LYS  20          2HE       LYS  20  -4.805  -2.243   7.698
  130   1HZ   LYS  20          1HZ       LYS  20  -2.781  -2.121   6.310
  131   2HZ   LYS  20          2HZ       LYS  20  -1.850  -2.582   7.646
  132   3HZ   LYS  20          3HZ       LYS  20  -2.704  -1.117   7.674
  133    H    ALA  21           H        ALA  21  -5.649  -7.679   3.232
  134    HA   ALA  21           HA       ALA  21  -3.667  -9.603   3.240
  135   1HB   ALA  21          1HB       ALA  21  -5.345 -10.757   1.566
  136   2HB   ALA  21          2HB       ALA  21  -5.792 -10.508   3.253
  137   3HB   ALA  21          3HB       ALA  21  -6.385  -9.401   2.012
  138    H    ASN  22           H        ASN  22  -4.895  -7.577   0.606
  139    HA   ASN  22           HA       ASN  22  -3.026  -8.630  -1.338
  140   1HB   ASN  22          2HB       ASN  22  -4.705  -6.114  -1.424
  141   1HD2  ASN  22          1HD2      ASN  22  -6.762  -6.448  -1.748
  142   2HD2  ASN  22          2HD2      ASN  22  -7.471  -7.872  -2.396
  143    H    CYS  23           H        CYS  23  -3.262  -5.755   0.702
  144    HA   CYS  23           HA       CYS  23  -1.089  -4.357  -0.338
  145   1HB   CYS  23          2HB       CYS  23  -2.785  -3.368   1.151
  146    HG   CYS  23           HG       CYS  23  -0.715  -1.644   0.912
  147    H    ALA  24           H        ALA  24  -1.187  -6.777   2.237
  148    HA   ALA  24           HA       ALA  24   1.394  -6.429   3.231
  149   1HB   ALA  24          1HB       ALA  24   0.483  -9.200   3.266
  150   2HB   ALA  24          2HB       ALA  24   0.863  -8.110   4.600
  151   3HB   ALA  24          3HB       ALA  24  -0.726  -8.047   3.835
  152    H    ARG  25           H        ARG  25   0.258  -8.615   0.658
  153    HA   ARG  25           HA       ARG  25   2.807  -9.765   0.193
  154   1HB   ARG  25          2HB       ARG  25   1.866 -10.686  -1.848
  155   1HG   ARG  25          2HG       ARG  25  -0.481  -8.873  -1.361
  156   1HD   ARG  25          2HD       ARG  25  -0.109 -11.141  -3.309
  157    HE   ARG  25           HE       ARG  25  -1.662  -8.886  -3.713
  158   1HH1  ARG  25          2HH1      ARG  25  -2.230 -12.329  -3.390
  159   2HH1  ARG  25          1HH1      ARG  25  -3.558 -12.344  -4.514
  160   1HH2  ARG  25          2HH2      ARG  25  -3.420  -8.906  -5.199
  161   2HH2  ARG  25          1HH2      ARG  25  -4.221 -10.410  -5.542
  162    H    HIS  26           H        HIS  26   1.164  -6.939  -1.029
  163    HA   HIS  26           HA       HIS  26   2.937  -6.209  -3.107
  164   1HB   HIS  26          2HB       HIS  26   0.843  -5.089  -3.001
  165    HD1  HIS  26           1HD      HIS  26   2.471  -3.723  -4.755
  166    HD2  HIS  26           2HD      HIS  26   2.243  -2.299  -0.852
  167    HE1  HIS  26           1HE      HIS  26   3.468  -1.376  -4.767
  168    H    LEU  27           H        LEU  27   2.829  -5.427   0.323
  169    HA   LEU  27           HA       LEU  27   4.536  -3.384   0.525
  170   1HB   LEU  27          2HB       LEU  27   3.263  -4.316   2.382
  171    HG   LEU  27           HG       LEU  27   6.202  -4.141   3.065
  172   1HD1  LEU  27          1HD1      LEU  27   4.211  -2.173   2.350
  173   2HD1  LEU  27          2HD1      LEU  27   4.859  -1.888   3.967
  174   3HD1  LEU  27          3HD1      LEU  27   5.949  -1.987   2.584
  175   1HD2  LEU  27          1HD2      LEU  27   4.784  -3.354   5.266
  176   2HD2  LEU  27          2HD2      LEU  27   3.830  -4.708   4.665
  177   3HD2  LEU  27          3HD2      LEU  27   5.535  -4.934   5.045
  178    H    LYS  28           H        LYS  28   5.551  -6.750   0.317
  179    HA   LYS  28           HA       LYS  28   8.152  -6.528   1.134
  180   1HB   LYS  28          2HB       LYS  28   8.643  -8.536  -0.173
  181   1HG   LYS  28          2HG       LYS  28   5.881  -8.234  -1.331
  182   1HD   LYS  28          2HD       LYS  28   6.470 -10.244  -2.609
  183   1HE   LYS  28          2HE       LYS  28   6.800 -10.619   0.363
  184   1HZ   LYS  28          1HZ       LYS  28   6.396 -12.816   0.078
  185   2HZ   LYS  28          2HZ       LYS  28   7.219 -12.531  -1.378
  186   3HZ   LYS  28          3HZ       LYS  28   5.523 -12.607  -1.362
  187    H    VAL  29           H        VAL  29   6.875  -5.586  -2.016
  188    HA   VAL  29           HA       VAL  29   9.198  -5.534  -3.514
  189    HB   VAL  29           HB       VAL  29   8.198  -3.850  -4.938
  190   1HG1  VAL  29          1HG1      VAL  29   6.394  -5.991  -3.897
  191   2HG1  VAL  29          2HG1      VAL  29   5.862  -4.900  -5.178
  192   3HG1  VAL  29          3HG1      VAL  29   7.284  -5.914  -5.418
  193   1HG2  VAL  29          1HG2      VAL  29   7.209  -2.162  -3.818
  194   2HG2  VAL  29          2HG2      VAL  29   5.764  -3.143  -4.059
  195   3HG2  VAL  29          3HG2      VAL  29   6.629  -3.211  -2.523
  196    H    HIS  30           H        HIS  30   8.091  -3.211  -1.131
  197    HA   HIS  30           HA       HIS  30  10.083  -1.243  -1.762
  198   1HB   HIS  30          2HB       HIS  30   8.280  -1.563   0.647
  199    HD1  HIS  30           1HD      HIS  30   8.623   0.919  -2.263
  200    HD2  HIS  30           2HD      HIS  30   5.756  -1.218  -0.117
  201    HE1  HIS  30           1HE      HIS  30   6.360   1.583  -3.197
  202    H    THR  31           H        THR  31   9.544  -3.494   0.896
  203    HA   THR  31           HA       THR  31  11.870  -2.771   2.315
  204    HB   THR  31           HB       THR  31  11.313  -4.726   3.744
  205    HG1  THR  31           1HG      THR  31  10.100  -6.244   2.918
  206   1HG2  THR  31          1HG2      THR  31   9.060  -2.857   3.022
  207   2HG2  THR  31          2HG2      THR  31  10.307  -2.596   4.243
  208   3HG2  THR  31          3HG2      THR  31   9.099  -3.859   4.474
  209    H    ASP  32           H        ASP  32  11.217  -5.291  -0.028
  210    HA   ASP  32           HA       ASP  32  14.005  -6.185   0.191
  211   1HB   ASP  32          2HB       ASP  32  12.659  -7.672   1.568
  212    H    THR  33           H        THR  33  14.927  -6.924  -1.644
  213    HA   THR  33           HA       THR  33  13.715  -6.118  -4.109
  214    HB   THR  33           HB       THR  33  16.089  -5.762  -3.825
  215    HG1  THR  33           1HG      THR  33  16.525  -7.673  -5.658
  216   1HG2  THR  33          1HG2      THR  33  16.118  -8.175  -2.512
  217   2HG2  THR  33          2HG2      THR  33  17.539  -7.244  -2.985
  218   3HG2  THR  33          3HG2      THR  33  16.948  -8.539  -4.023
  219    H    LEU  34           H        LEU  34  12.636  -7.330  -5.520
  220    HA   LEU  34           HA       LEU  34  12.249 -10.153  -4.936
  221   1HB   LEU  34          2HB       LEU  34  11.017  -8.444  -7.103
  222    HG   LEU  34           HG       LEU  34  10.261  -7.605  -4.947
  223   1HD1  LEU  34          1HD1      LEU  34   7.931  -9.225  -5.754
  224   2HD1  LEU  34          2HD1      LEU  34   8.094  -7.478  -5.561
  225   3HD1  LEU  34          3HD1      LEU  34   8.700  -8.263  -7.018
  226   1HD2  LEU  34          1HD2      LEU  34   8.955  -9.153  -3.464
  227   2HD2  LEU  34          2HD2      LEU  34   9.627 -10.494  -4.396
  228   3HD2  LEU  34          3HD2      LEU  34  10.698  -9.423  -3.491
  229    H    SER  35           H        SER  35  14.831  -9.454  -5.716
  230    HA   SER  35           HA       SER  35  15.247 -11.218  -7.926
  231   1HB   SER  35          2HB       SER  35  16.490  -9.493  -9.291
  232    HG   SER  35           HG       SER  35  15.339  -7.828  -7.334
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1 -10.361 -11.048   9.656
    2   2H    GLY   1          2H        GLY   1  -9.287 -10.411   8.511
    3   3H    GLY   1          3H        GLY   1 -10.227 -11.768   8.126
    4   1HA   GLY   1          2HA       GLY   1 -12.010  -9.801   8.915
    5   2HA   GLY   1          1HA       GLY   1 -10.854  -9.029   7.837
    6    H    SER   2           H        SER   2 -13.769 -10.037   7.686
    7    HA   SER   2           HA       SER   2 -13.896 -12.076   5.757
    8   1HB   SER   2          2HB       SER   2 -15.826 -11.415   7.097
    9    HG   SER   2           HG       SER   2 -16.861 -12.191   5.451
   10    H    SER   3           H        SER   3 -13.959  -8.537   5.406
   11    HA   SER   3           HA       SER   3 -12.650  -8.665   2.864
   12   1HB   SER   3          2HB       SER   3 -15.545  -7.756   2.945
   13    HG   SER   3           HG       SER   3 -14.516 -10.114   2.459
   14    H    GLY   4           H        GLY   4 -11.550  -6.845   2.511
   15   1HA   GLY   4          1HA       GLY   4 -11.464  -4.896   4.592
   16   2HA   GLY   4          2HA       GLY   4 -10.481  -4.911   3.139
   17    H    LYS   5           H        LYS   5 -10.634  -2.956   2.338
   18    HA   LYS   5           HA       LYS   5 -12.916  -2.095   0.985
   19   1HB   LYS   5          2HB       LYS   5 -13.353   0.025   2.292
   20   1HG   LYS   5          2HG       LYS   5 -12.046  -1.458   4.554
   21   1HD   LYS   5          2HD       LYS   5 -12.549   0.566   5.828
   22   1HE   LYS   5          2HE       LYS   5 -14.973  -0.614   4.475
   23   1HZ   LYS   5          1HZ       LYS   5 -14.808   0.690   7.135
   24   2HZ   LYS   5          2HZ       LYS   5 -16.200   0.106   6.360
   25   3HZ   LYS   5          3HZ       LYS   5 -15.391   1.463   5.744
   26    H    ARG   6           H        ARG   6 -12.541   0.544   0.707
   27    HA   ARG   6           HA       ARG   6 -10.337   0.476  -1.031
   28   1HB   ARG   6          2HB       ARG   6 -12.422   1.495  -1.641
   29   1HG   ARG   6          2HG       ARG   6 -11.741   3.608  -2.568
   30   1HD   ARG   6          2HD       ARG   6  -9.424   1.673  -2.610
   31    HE   ARG   6           HE       ARG   6  -8.606   3.265  -4.017
   32   1HH1  ARG   6          2HH1      ARG   6 -12.026   2.918  -4.640
   33   2HH1  ARG   6          1HH1      ARG   6 -12.094   4.255  -5.748
   34   1HH2  ARG   6          2HH2      ARG   6  -8.680   5.028  -5.502
   35   2HH2  ARG   6          1HH2      ARG   6 -10.194   5.417  -6.274
   36    HA   PRO   7           HA       PRO   7  -8.481   4.130   1.677
   37   1HB   PRO   7          2HB       PRO   7  -8.756   3.831   4.347
   38   1HG   PRO   7          2HG       PRO   7  -9.920   1.765   4.189
   39   1HD   PRO   7          2HD       PRO   7 -11.383   1.329   2.397
   40    H    PHE   8           H        PHE   8  -7.848   1.106   1.285
   41    HA   PHE   8           HA       PHE   8  -5.763   0.726   3.290
   42   1HB   PHE   8          2HB       PHE   8  -6.726  -1.045   1.043
   43    HD1  PHE   8           1HD      PHE   8  -6.763  -3.487   2.623
   44    HD2  PHE   8           2HD      PHE   8  -8.169   0.400   3.571
   45    HE1  PHE   8           1HE      PHE   8  -8.396  -4.470   4.159
   46    HE2  PHE   8           2HE      PHE   8  -9.810  -0.563   5.120
   47    HZ   PHE   8           HZ       PHE   8  -9.931  -2.993   5.420
   48    H    VAL   9           H        VAL   9  -5.081   2.900   1.895
   49    HA   VAL   9           HA       VAL   9  -3.525   2.251  -0.425
   50    HB   VAL   9           HB       VAL   9  -4.630   4.484  -0.063
   51   1HG1  VAL   9          1HG1      VAL   9  -3.728   6.103   1.364
   52   2HG1  VAL   9          2HG1      VAL   9  -3.821   4.634   2.342
   53   3HG1  VAL   9          3HG1      VAL   9  -2.275   5.143   1.665
   54   1HG2  VAL   9          1HG2      VAL   9  -3.281   5.136  -1.685
   55   2HG2  VAL   9          2HG2      VAL   9  -2.013   5.476  -0.508
   56   3HG2  VAL   9          3HG2      VAL   9  -2.134   3.874  -1.235
   57    H    CYS  10           H        CYS  10  -1.355   2.003  -0.596
   58    HA   CYS  10           HA       CYS  10   0.083   0.950   1.543
   59   1HB   CYS  10          2HB       CYS  10   0.577   0.408  -0.765
   60    H    ARG  11           H        ARG  11   1.396   1.781   3.020
   61    HA   ARG  11           HA       ARG  11   1.373   4.566   3.525
   62   1HB   ARG  11          2HB       ARG  11   2.724   4.083   5.459
   63   1HG   ARG  11          2HG       ARG  11   3.164   1.321   4.350
   64   1HD   ARG  11          2HD       ARG  11   3.951   2.635   6.940
   65    HE   ARG  11           HE       ARG  11   5.527   0.816   5.571
   66   1HH1  ARG  11          2HH1      ARG  11   3.892   0.911   8.657
   67   2HH1  ARG  11          1HH1      ARG  11   5.143   0.045   9.496
   68   1HH2  ARG  11          2HH2      ARG  11   7.203  -0.295   6.668
   69   2HH2  ARG  11          1HH2      ARG  11   7.028  -0.629   8.369
   70    H    ILE  12           H        ILE  12   3.704   2.368   2.069
   71    HA   ILE  12           HA       ILE  12   5.857   4.248   2.167
   72    HB   ILE  12           HB       ILE  12   5.667   1.711   0.544
   73   1HG1  ILE  12          2HG1      ILE  12   5.397   1.282   2.946
   74   1HG2  ILE  12          1HG2      ILE  12   7.534   3.769   0.415
   75   2HG2  ILE  12          2HG2      ILE  12   8.308   2.523   1.393
   76   3HG2  ILE  12          3HG2      ILE  12   7.714   2.135  -0.222
   77   1HD1  ILE  12          1HD1      ILE  12   6.356   2.627   4.420
   78   2HD1  ILE  12          2HD1      ILE  12   7.857   1.771   4.079
   79   3HD1  ILE  12          3HD1      ILE  12   7.479   3.270   3.225
   80    H    CYS  13           H        CYS  13   3.990   2.886  -0.566
   81    HA   CYS  13           HA       CYS  13   4.807   5.250  -2.080
   82   1HB   CYS  13          2HB       CYS  13   4.021   4.162  -4.119
   83    H    LEU  14           H        LEU  14   2.024   4.172  -3.420
   84    HA   LEU  14           HA       LEU  14   0.093   5.200  -1.600
   85   1HB   LEU  14          2HB       LEU  14   0.830   6.870  -3.996
   86    HG   LEU  14           HG       LEU  14   1.801   7.623  -1.853
   87   1HD1  LEU  14          1HD1      LEU  14  -0.376   9.359  -3.012
   88   2HD1  LEU  14          2HD1      LEU  14   0.899   9.931  -1.935
   89   3HD1  LEU  14          3HD1      LEU  14   1.311   9.285  -3.524
   90   1HD2  LEU  14          1HD2      LEU  14  -0.504   8.669  -0.591
   91   2HD2  LEU  14          2HD2      LEU  14  -0.797   6.954  -0.891
   92   3HD2  LEU  14          3HD2      LEU  14   0.625   7.460   0.023
   93    H    SER  15           H        SER  15   0.488   2.792  -2.863
   94    HA   SER  15           HA       SER  15  -1.454   2.635  -5.024
   95   1HB   SER  15          2HB       SER  15   0.118   0.462  -3.616
   96    HG   SER  15           HG       SER  15   1.596   1.677  -4.688
   97    H    ALA  16           H        ALA  16  -3.577   2.263  -4.650
   98    HA   ALA  16           HA       ALA  16  -4.444   1.638  -1.944
   99   1HB   ALA  16          1HB       ALA  16  -6.586   1.782  -3.871
  100   2HB   ALA  16          2HB       ALA  16  -6.268   2.799  -2.466
  101   3HB   ALA  16          3HB       ALA  16  -5.509   3.173  -4.013
  102    H    PHE  17           H        PHE  17  -5.426  -0.261  -1.321
  103    HA   PHE  17           HA       PHE  17  -5.961  -2.289  -3.370
  104   1HB   PHE  17          2HB       PHE  17  -4.450  -2.861  -0.808
  105    HD1  PHE  17           1HD      PHE  17  -3.610  -4.826  -3.598
  106    HD2  PHE  17           2HD      PHE  17  -2.806  -1.074  -1.753
  107    HE1  PHE  17           1HE      PHE  17  -1.462  -4.708  -4.781
  108    HE2  PHE  17           2HE      PHE  17  -0.659  -0.949  -2.949
  109    HZ   PHE  17           HZ       PHE  17   0.014  -2.767  -4.466
  110    H    THR  18           H        THR  18  -7.591  -3.770  -2.822
  111    HA   THR  18           HA       THR  18  -9.630  -2.686  -1.195
  112    HB   THR  18           HB       THR  18 -10.824  -4.844  -1.632
  113    HG1  THR  18           1HG      THR  18  -8.637  -5.442  -3.357
  114   1HG2  THR  18          1HG2      THR  18 -10.465  -4.426  -4.299
  115   2HG2  THR  18          2HG2      THR  18  -9.853  -2.914  -3.627
  116   3HG2  THR  18          3HG2      THR  18 -11.497  -3.442  -3.264
  117    H    THR  19           H        THR  19  -7.370  -5.356  -0.637
  118    HA   THR  19           HA       THR  19  -8.453  -5.564   2.091
  119    HB   THR  19           HB       THR  19  -7.915  -7.962   2.055
  120    HG1  THR  19           1HG      THR  19  -7.663  -8.651  -0.377
  121   1HG2  THR  19          1HG2      THR  19  -9.624  -8.593   0.220
  122   2HG2  THR  19          2HG2      THR  19  -9.797  -6.851   0.003
  123   3HG2  THR  19          3HG2      THR  19 -10.160  -7.586   1.565
  124    H    LYS  20           H        LYS  20  -7.040  -6.193   3.745
  125    HA   LYS  20           HA       LYS  20  -4.486  -5.034   3.804
  126   1HB   LYS  20          2HB       LYS  20  -5.469  -7.385   5.437
  127   1HG   LYS  20          2HG       LYS  20  -6.960  -5.476   5.666
  128   1HD   LYS  20          2HD       LYS  20  -4.478  -4.043   6.601
  129   1HE   LYS  20          2HE       LYS  20  -5.983  -2.152   7.040
  130   1HZ   LYS  20          1HZ       LYS  20  -6.527  -4.662   8.517
  131   2HZ   LYS  20          2HZ       LYS  20  -7.191  -3.175   8.988
  132   3HZ   LYS  20          3HZ       LYS  20  -5.507  -3.381   8.962
  133    H    ALA  21           H        ALA  21  -5.641  -8.232   3.029
  134    HA   ALA  21           HA       ALA  21  -3.293  -9.652   2.990
  135   1HB   ALA  21          1HB       ALA  21  -4.543 -10.993   1.122
  136   2HB   ALA  21          2HB       ALA  21  -5.161 -10.972   2.774
  137   3HB   ALA  21          3HB       ALA  21  -5.886  -9.931   1.548
  138    H    ASN  22           H        ASN  22  -4.754  -7.719   0.378
  139    HA   ASN  22           HA       ASN  22  -2.715  -8.355  -1.518
  140   1HB   ASN  22          2HB       ASN  22  -4.608  -5.998  -1.475
  141   1HD2  ASN  22          1HD2      ASN  22  -6.596  -6.426  -2.061
  142   2HD2  ASN  22          2HD2      ASN  22  -7.148  -7.877  -2.803
  143    H    CYS  23           H        CYS  23  -3.192  -5.694   0.753
  144    HA   CYS  23           HA       CYS  23  -0.993  -4.138  -0.075
  145   1HB   CYS  23          2HB       CYS  23  -2.812  -3.285   1.366
  146    HG   CYS  23           HG       CYS  23  -0.770  -1.517   1.390
  147    H    ALA  24           H        ALA  24  -1.285  -6.717   2.339
  148    HA   ALA  24           HA       ALA  24   1.283  -6.509   3.440
  149   1HB   ALA  24          1HB       ALA  24  -0.483  -8.937   3.178
  150   2HB   ALA  24          2HB       ALA  24   0.920  -8.803   4.238
  151   3HB   ALA  24          3HB       ALA  24  -0.489  -7.776   4.504
  152    H    ARG  25           H        ARG  25   0.112  -8.563   0.763
  153    HA   ARG  25           HA       ARG  25   2.619  -9.797   0.298
  154   1HB   ARG  25          2HB       ARG  25   1.686 -10.625  -1.770
  155   1HG   ARG  25          2HG       ARG  25  -0.579  -8.683  -1.384
  156   1HD   ARG  25          2HD       ARG  25  -0.156 -10.900  -3.377
  157    HE   ARG  25           HE       ARG  25  -1.504  -8.534  -3.883
  158   1HH1  ARG  25          2HH1      ARG  25  -2.386 -11.911  -3.685
  159   2HH1  ARG  25          1HH1      ARG  25  -3.520 -11.827  -5.002
  160   1HH2  ARG  25          2HH2      ARG  25  -2.969  -8.417  -5.624
  161   2HH2  ARG  25          1HH2      ARG  25  -3.810  -9.852  -6.140
  162    H    HIS  26           H        HIS  26   1.105  -6.884  -0.863
  163    HA   HIS  26           HA       HIS  26   2.836  -6.160  -2.937
  164   1HB   HIS  26          2HB       HIS  26   0.790  -4.976  -2.675
  165    HD1  HIS  26           1HD      HIS  26   2.430  -3.671  -4.509
  166    HD2  HIS  26           2HD      HIS  26   2.331  -2.221  -0.612
  167    HE1  HIS  26           1HE      HIS  26   3.463  -1.349  -4.567
  168    H    LEU  27           H        LEU  27   2.968  -5.500   0.524
  169    HA   LEU  27           HA       LEU  27   4.816  -3.551   0.648
  170   1HB   LEU  27          2HB       LEU  27   3.556  -4.453   2.562
  171    HG   LEU  27           HG       LEU  27   6.527  -4.362   3.134
  172   1HD1  LEU  27          1HD1      LEU  27   4.765  -2.355   2.215
  173   2HD1  LEU  27          2HD1      LEU  27   5.085  -2.029   3.918
  174   3HD1  LEU  27          3HD1      LEU  27   6.426  -2.176   2.783
  175   1HD2  LEU  27          1HD2      LEU  27   4.147  -4.710   4.814
  176   2HD2  LEU  27          2HD2      LEU  27   5.838  -5.071   5.153
  177   3HD2  LEU  27          3HD2      LEU  27   5.232  -3.425   5.344
  178    H    LYS  28           H        LYS  28   5.556  -6.941   0.137
  179    HA   LYS  28           HA       LYS  28   8.190  -7.049   0.876
  180   1HB   LYS  28          2HB       LYS  28   8.466  -8.910  -0.683
  181   1HG   LYS  28          2HG       LYS  28   5.776  -8.115  -1.771
  182   1HD   LYS  28          2HD       LYS  28   7.474 -10.542  -2.331
  183   1HE   LYS  28          2HE       LYS  28   4.795  -9.687  -3.413
  184   1HZ   LYS  28          1HZ       LYS  28   5.168 -12.152  -2.915
  185   2HZ   LYS  28          2HZ       LYS  28   6.266 -12.125  -4.205
  186   3HZ   LYS  28          3HZ       LYS  28   4.638 -11.731  -4.467
  187    H    VAL  29           H        VAL  29   6.909  -5.729  -2.133
  188    HA   VAL  29           HA       VAL  29   9.232  -5.605  -3.638
  189    HB   VAL  29           HB       VAL  29   8.214  -3.735  -4.871
  190   1HG1  VAL  29          1HG1      VAL  29   7.481  -5.934  -5.455
  191   2HG1  VAL  29          2HG1      VAL  29   6.331  -5.960  -4.119
  192   3HG1  VAL  29          3HG1      VAL  29   6.079  -4.863  -5.476
  193   1HG2  VAL  29          1HG2      VAL  29   5.715  -3.339  -3.886
  194   2HG2  VAL  29          2HG2      VAL  29   6.654  -3.485  -2.395
  195   3HG2  VAL  29          3HG2      VAL  29   7.085  -2.265  -3.598
  196    H    HIS  30           H        HIS  30   8.106  -3.328  -1.177
  197    HA   HIS  30           HA       HIS  30  10.129  -1.402  -1.753
  198   1HB   HIS  30          2HB       HIS  30   8.337  -1.686   0.668
  199    HD1  HIS  30           1HD      HIS  30   8.715   0.655  -2.361
  200    HD2  HIS  30           2HD      HIS  30   5.827  -1.150   0.034
  201    HE1  HIS  30           1HE      HIS  30   6.456   1.496  -3.177
  202    H    THR  31           H        THR  31   9.741  -3.981   0.588
  203    HA   THR  31           HA       THR  31  12.329  -3.335   1.769
  204    HB   THR  31           HB       THR  31  10.372  -5.480   2.629
  205    HG1  THR  31           1HG      THR  31   9.173  -3.733   2.998
  206   1HG2  THR  31          1HG2      THR  31  12.492  -5.792   3.668
  207   2HG2  THR  31          2HG2      THR  31  11.451  -5.019   4.863
  208   3HG2  THR  31          3HG2      THR  31  12.660  -4.067   3.997
  209    H    ASP  32           H        ASP  32  12.005  -4.392  -0.927
  210    HA   ASP  32           HA       ASP  32  13.027  -5.782  -2.370
  211   1HB   ASP  32          2HB       ASP  32  14.555  -6.472   0.101
  212    H    THR  33           H        THR  33  12.418  -7.560   0.658
  213    HA   THR  33           HA       THR  33  10.697  -9.420  -0.679
  214    HB   THR  33           HB       THR  33  12.805 -10.452  -1.310
  215    HG1  THR  33           1HG      THR  33  12.040 -12.373  -0.816
  216   1HG2  THR  33          1HG2      THR  33  13.465 -10.590   1.632
  217   2HG2  THR  33          2HG2      THR  33  14.195  -9.463   0.490
  218   3HG2  THR  33          3HG2      THR  33  14.447 -11.199   0.298
  219    H    LEU  34           H        LEU  34   9.344 -10.411   0.768
  220    HA   LEU  34           HA       LEU  34   9.875 -10.203   3.634
  221   1HB   LEU  34          2HB       LEU  34   7.523  -8.928   2.235
  222    HG   LEU  34           HG       LEU  34   9.541  -7.469   2.421
  223   1HD1  LEU  34          1HD1      LEU  34   7.732  -6.114   2.299
  224   2HD1  LEU  34          2HD1      LEU  34   6.914  -6.907   3.650
  225   3HD1  LEU  34          3HD1      LEU  34   8.203  -5.744   3.961
  226   1HD2  LEU  34          1HD2      LEU  34  10.432  -8.443   4.502
  227   2HD2  LEU  34          2HD2      LEU  34  10.236  -6.694   4.617
  228   3HD2  LEU  34          3HD2      LEU  34   9.064  -7.763   5.387
  229    H    SER  35           H        SER  35   7.686 -11.234   1.061
  230    HA   SER  35           HA       SER  35   7.417 -13.819   2.232
  231   1HB   SER  35          2HB       SER  35   4.912 -13.708   2.379
  232    HG   SER  35           HG       SER  35   5.022 -10.939   2.612
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1 -10.597  -7.342  11.709
    2   2H    GLY   1          2H        GLY   1 -11.250  -8.887  11.473
    3   3H    GLY   1          3H        GLY   1 -12.111  -7.521  10.962
    4   1HA   GLY   1          2HA       GLY   1  -9.581  -7.435   9.771
    5   2HA   GLY   1          1HA       GLY   1 -10.236  -9.046   9.539
    6    H    SER   2           H        SER   2 -11.880  -5.903   9.711
    7    HA   SER   2           HA       SER   2 -13.478  -6.473   7.410
    8   1HB   SER   2          2HB       SER   2 -13.012  -3.853   8.872
    9    HG   SER   2           HG       SER   2 -15.396  -5.248   9.117
   10    H    SER   3           H        SER   3 -13.152  -5.913   5.325
   11    HA   SER   3           HA       SER   3 -11.179  -3.965   4.560
   12   1HB   SER   3          2HB       SER   3  -9.764  -5.594   3.310
   13    HG   SER   3           HG       SER   3 -11.419  -7.466   4.661
   14    H    GLY   4           H        GLY   4 -10.960  -5.538   1.888
   15   1HA   GLY   4          1HA       GLY   4 -12.050  -5.461  -0.133
   16   2HA   GLY   4          2HA       GLY   4 -13.533  -5.776   0.763
   17    H    LYS   5           H        LYS   5 -11.265  -3.064   0.891
   18    HA   LYS   5           HA       LYS   5 -13.280  -1.175  -0.042
   19   1HB   LYS   5          2HB       LYS   5 -13.714  -1.813   2.384
   20   1HG   LYS   5          2HG       LYS   5 -12.996   1.092   2.117
   21   1HD   LYS   5          2HD       LYS   5 -15.013  -0.396   3.796
   22   1HE   LYS   5          2HE       LYS   5 -15.761   1.857   3.080
   23   1HZ   LYS   5          1HZ       LYS   5 -13.315   2.724   4.512
   24   2HZ   LYS   5          2HZ       LYS   5 -14.614   3.754   4.157
   25   3HZ   LYS   5          3HZ       LYS   5 -13.731   3.042   2.896
   26    H    ARG   6           H        ARG   6 -12.376   0.723  -0.717
   27    HA   ARG   6           HA       ARG   6  -9.740   0.413  -1.579
   28   1HB   ARG   6          2HB       ARG   6 -11.606   2.739  -1.903
   29   1HG   ARG   6          2HG       ARG   6 -12.416   0.629  -2.892
   30   1HD   ARG   6          2HD       ARG   6 -10.233  -0.414  -3.338
   31    HE   ARG   6           HE       ARG   6  -9.594   1.908  -4.731
   32   1HH1  ARG   6          2HH1      ARG   6  -9.414  -1.563  -5.217
   33   2HH1  ARG   6          1HH1      ARG   6  -8.044  -1.473  -6.277
   34   1HH2  ARG   6          2HH2      ARG   6  -7.805   2.030  -6.138
   35   2HH2  ARG   6          1HH2      ARG   6  -7.139   0.575  -6.820
   36    HA   PRO   7           HA       PRO   7  -8.641   4.310   1.187
   37   1HB   PRO   7          2HB       PRO   7  -8.963   3.797   3.821
   38   1HG   PRO   7          2HG       PRO   7  -9.993   1.702   3.587
   39   1HD   PRO   7          2HD       PRO   7 -11.149   1.121   1.650
   40    H    PHE   8           H        PHE   8  -8.039   1.024   1.274
   41    HA   PHE   8           HA       PHE   8  -5.840   0.987   3.099
   42   1HB   PHE   8          2HB       PHE   8  -6.684  -0.992   0.985
   43    HD1  PHE   8           1HD      PHE   8  -8.406   0.497   3.202
   44    HD2  PHE   8           2HD      PHE   8  -6.487  -3.276   2.883
   45    HE1  PHE   8           1HE      PHE   8 -10.073  -0.476   4.727
   46    HE2  PHE   8           2HE      PHE   8  -8.131  -4.259   4.402
   47    HZ   PHE   8           HZ       PHE   8  -9.927  -2.856   5.340
   48    H    VAL   9           H        VAL   9  -5.147   3.048   1.659
   49    HA   VAL   9           HA       VAL   9  -3.610   2.354  -0.669
   50    HB   VAL   9           HB       VAL   9  -4.672   4.614  -0.307
   51   1HG1  VAL   9          1HG1      VAL   9  -4.071   4.912   2.039
   52   2HG1  VAL   9          2HG1      VAL   9  -2.365   5.014   1.588
   53   3HG1  VAL   9          3HG1      VAL   9  -3.497   6.255   1.047
   54   1HG2  VAL   9          1HG2      VAL   9  -3.269   5.436  -1.820
   55   2HG2  VAL   9          2HG2      VAL   9  -1.897   5.369  -0.713
   56   3HG2  VAL   9          3HG2      VAL   9  -2.361   3.935  -1.629
   57    H    CYS  10           H        CYS  10  -1.440   2.042  -0.801
   58    HA   CYS  10           HA       CYS  10  -0.162   0.820   1.296
   59   1HB   CYS  10          2HB       CYS  10   0.506   0.490  -1.011
   60    H    ARG  11           H        ARG  11   0.978   1.428   2.940
   61    HA   ARG  11           HA       ARG  11   1.123   4.140   3.706
   62   1HB   ARG  11          2HB       ARG  11   2.441   3.251   5.645
   63   1HG   ARG  11          2HG       ARG  11   1.957   0.594   4.319
   64   1HD   ARG  11          2HD       ARG  11   1.392   0.552   6.715
   65    HE   ARG  11           HE       ARG  11   2.657   1.912   8.040
   66   1HH1  ARG  11          2HH1      ARG  11   4.792  -0.012   6.052
   67   2HH1  ARG  11          1HH1      ARG  11   6.246   0.711   6.670
   68   1HH2  ARG  11          2HH2      ARG  11   4.578   2.871   8.865
   69   2HH2  ARG  11          1HH2      ARG  11   6.116   2.348   8.255
   70    H    ILE  12           H        ILE  12   3.339   1.969   2.085
   71    HA   ILE  12           HA       ILE  12   5.580   3.762   2.486
   72    HB   ILE  12           HB       ILE  12   5.457   1.371   0.651
   73   1HG1  ILE  12          2HG1      ILE  12   5.004   0.713   2.970
   74   1HG2  ILE  12          1HG2      ILE  12   7.510   3.348   1.358
   75   2HG2  ILE  12          2HG2      ILE  12   8.041   1.668   1.455
   76   3HG2  ILE  12          3HG2      ILE  12   7.382   2.299  -0.055
   77   1HD1  ILE  12          1HD1      ILE  12   6.751   2.762   3.688
   78   2HD1  ILE  12          2HD1      ILE  12   5.954   1.598   4.747
   79   3HD1  ILE  12          3HD1      ILE  12   7.569   1.259   4.120
   80    H    CYS  13           H        CYS  13   3.741   2.634  -0.399
   81    HA   CYS  13           HA       CYS  13   4.695   5.079  -1.703
   82   1HB   CYS  13          2HB       CYS  13   4.100   4.132  -3.872
   83    H    LEU  14           H        LEU  14   2.098   4.090  -3.405
   84    HA   LEU  14           HA       LEU  14   0.014   5.162  -1.737
   85   1HB   LEU  14          2HB       LEU  14   0.957   6.671  -4.173
   86    HG   LEU  14           HG       LEU  14   1.906   7.460  -2.021
   87   1HD1  LEU  14          1HD1      LEU  14   0.795   8.930  -4.054
   88   2HD1  LEU  14          2HD1      LEU  14   0.084   9.656  -2.613
   89   3HD1  LEU  14          3HD1      LEU  14   1.837   9.559  -2.780
   90   1HD2  LEU  14          1HD2      LEU  14  -0.712   8.518  -1.153
   91   2HD2  LEU  14          2HD2      LEU  14  -0.447   6.790  -0.910
   92   3HD2  LEU  14          3HD2      LEU  14   0.663   7.963  -0.199
   93    H    SER  15           H        SER  15   0.491   2.674  -2.951
   94    HA   SER  15           HA       SER  15  -1.455   2.503  -5.125
   95   1HB   SER  15          2HB       SER  15   0.098   0.333  -3.687
   96    HG   SER  15           HG       SER  15   1.528   1.595  -4.858
   97    H    ALA  16           H        ALA  16  -3.585   2.291  -4.633
   98    HA   ALA  16           HA       ALA  16  -4.335   1.651  -1.895
   99   1HB   ALA  16          1HB       ALA  16  -6.479   2.086  -3.860
  100   2HB   ALA  16          2HB       ALA  16  -6.243   2.783  -2.255
  101   3HB   ALA  16          3HB       ALA  16  -5.368   3.437  -3.641
  102    H    PHE  17           H        PHE  17  -5.296  -0.205  -1.239
  103    HA   PHE  17           HA       PHE  17  -6.013  -2.188  -3.298
  104   1HB   PHE  17          2HB       PHE  17  -4.617  -2.783  -0.679
  105    HD1  PHE  17           1HD      PHE  17  -2.885  -1.064  -1.617
  106    HD2  PHE  17           2HD      PHE  17  -3.752  -4.825  -3.398
  107    HE1  PHE  17           1HE      PHE  17  -0.722  -1.010  -2.781
  108    HE2  PHE  17           2HE      PHE  17  -1.589  -4.778  -4.561
  109    HZ   PHE  17           HZ       PHE  17  -0.068  -2.870  -4.253
  110    H    THR  18           H        THR  18  -7.631  -3.738  -2.623
  111    HA   THR  18           HA       THR  18  -9.679  -2.507  -1.042
  112    HB   THR  18           HB       THR  18 -10.908  -4.657  -1.402
  113    HG1  THR  18           1HG      THR  18  -9.267  -5.559  -3.381
  114   1HG2  THR  18          1HG2      THR  18 -11.509  -4.125  -3.587
  115   2HG2  THR  18          2HG2      THR  18  -9.867  -3.658  -4.031
  116   3HG2  THR  18          3HG2      THR  18 -10.828  -2.611  -2.988
  117    H    THR  19           H        THR  19  -7.566  -5.307  -0.602
  118    HA   THR  19           HA       THR  19  -8.440  -5.439   2.203
  119    HB   THR  19           HB       THR  19  -7.843  -7.808   2.185
  120    HG1  THR  19           1HG      THR  19  -7.561  -8.415  -0.330
  121   1HG2  THR  19          1HG2      THR  19 -10.083  -7.637   1.650
  122   2HG2  THR  19          2HG2      THR  19  -9.470  -8.515   0.248
  123   3HG2  THR  19          3HG2      THR  19  -9.762  -6.779   0.139
  124    H    LYS  20           H        LYS  20  -6.913  -5.757   3.801
  125    HA   LYS  20           HA       LYS  20  -4.368  -4.603   3.520
  126   1HB   LYS  20          2HB       LYS  20  -5.495  -6.475   5.596
  127   1HG   LYS  20          2HG       LYS  20  -4.797  -3.581   5.645
  128   1HD   LYS  20          2HD       LYS  20  -6.007  -5.333   7.777
  129   1HE   LYS  20          2HE       LYS  20  -5.381  -2.382   7.780
  130   1HZ   LYS  20          1HZ       LYS  20  -4.978  -3.283   9.938
  131   2HZ   LYS  20          2HZ       LYS  20  -6.432  -4.151   9.919
  132   3HZ   LYS  20          3HZ       LYS  20  -6.461  -2.458   9.982
  133    H    ALA  21           H        ALA  21  -5.587  -7.834   3.228
  134    HA   ALA  21           HA       ALA  21  -3.254  -9.259   3.349
  135   1HB   ALA  21          1HB       ALA  21  -4.619 -10.753   1.582
  136   2HB   ALA  21          2HB       ALA  21  -5.013 -10.691   3.301
  137   3HB   ALA  21          3HB       ALA  21  -5.919  -9.702   2.152
  138    H    ASN  22           H        ASN  22  -4.691  -7.609   0.550
  139    HA   ASN  22           HA       ASN  22  -2.727  -8.484  -1.330
  140   1HB   ASN  22          2HB       ASN  22  -4.517  -6.051  -1.375
  141   1HD2  ASN  22          1HD2      ASN  22  -6.505  -6.449  -1.984
  142   2HD2  ASN  22          2HD2      ASN  22  -7.065  -7.882  -2.771
  143    H    CYS  23           H        CYS  23  -3.008  -5.623   0.727
  144    HA   CYS  23           HA       CYS  23  -0.753  -4.262  -0.225
  145   1HB   CYS  23          2HB       CYS  23  -2.485  -3.243   1.211
  146    HG   CYS  23           HG       CYS  23  -0.705  -1.361   1.352
  147    H    ALA  24           H        ALA  24  -1.110  -6.744   2.253
  148    HA   ALA  24           HA       ALA  24   1.451  -6.623   3.368
  149   1HB   ALA  24          1HB       ALA  24   1.017  -8.954   4.097
  150   2HB   ALA  24          2HB       ALA  24  -0.290  -7.829   4.467
  151   3HB   ALA  24          3HB       ALA  24  -0.443  -8.945   3.108
  152    H    ARG  25           H        ARG  25   0.273  -8.637   0.650
  153    HA   ARG  25           HA       ARG  25   2.825  -9.844   0.231
  154   1HB   ARG  25          2HB       ARG  25   1.929 -10.702  -1.866
  155   1HG   ARG  25          2HG       ARG  25  -0.533  -9.063  -1.333
  156   1HD   ARG  25          2HD       ARG  25   0.149 -11.010  -3.531
  157    HE   ARG  25           HE       ARG  25  -1.680  -8.888  -3.617
  158   1HH1  ARG  25          2HH1      ARG  25  -1.582 -12.342  -4.251
  159   2HH1  ARG  25          1HH1      ARG  25  -2.824 -12.273  -5.467
  160   1HH2  ARG  25          2HH2      ARG  25  -3.321  -8.812  -5.170
  161   2HH2  ARG  25          1HH2      ARG  25  -3.847 -10.270  -5.961
  162    H    HIS  26           H        HIS  26   1.210  -7.013  -0.979
  163    HA   HIS  26           HA       HIS  26   2.920  -6.235  -3.062
  164   1HB   HIS  26          2HB       HIS  26   0.843  -5.108  -2.796
  165    HD1  HIS  26           1HD      HIS  26   2.364  -3.687  -4.610
  166    HD2  HIS  26           2HD      HIS  26   2.331  -2.359  -0.673
  167    HE1  HIS  26           1HE      HIS  26   3.386  -1.356  -4.617
  168    H    LEU  27           H        LEU  27   3.034  -5.631   0.401
  169    HA   LEU  27           HA       LEU  27   4.768  -3.608   0.601
  170   1HB   LEU  27          2HB       LEU  27   3.561  -4.653   2.464
  171    HG   LEU  27           HG       LEU  27   6.512  -4.439   3.057
  172   1HD1  LEU  27          1HD1      LEU  27   6.295  -2.225   2.986
  173   2HD1  LEU  27          2HD1      LEU  27   4.743  -2.481   2.190
  174   3HD1  LEU  27          3HD1      LEU  27   4.813  -2.272   3.940
  175   1HD2  LEU  27          1HD2      LEU  27   4.754  -5.602   4.673
  176   2HD2  LEU  27          2HD2      LEU  27   6.041  -4.558   5.280
  177   3HD2  LEU  27          3HD2      LEU  27   4.409  -3.921   5.078
  178    H    LYS  28           H        LYS  28   5.766  -6.970   0.151
  179    HA   LYS  28           HA       LYS  28   8.395  -6.803   0.886
  180   1HB   LYS  28          2HB       LYS  28   8.843  -8.747  -0.493
  181   1HG   LYS  28          2HG       LYS  28   6.143  -8.337  -1.751
  182   1HD   LYS  28          2HD       LYS  28   8.270 -10.445  -2.098
  183   1HE   LYS  28          2HE       LYS  28   5.647 -10.140  -3.545
  184   1HZ   LYS  28          1HZ       LYS  28   6.249 -12.440  -3.197
  185   2HZ   LYS  28          2HZ       LYS  28   7.811 -12.160  -3.796
  186   3HZ   LYS  28          3HZ       LYS  28   6.474 -12.035  -4.830
  187    H    VAL  29           H        VAL  29   6.998  -5.628  -2.096
  188    HA   VAL  29           HA       VAL  29   9.261  -5.476  -3.698
  189    HB   VAL  29           HB       VAL  29   8.167  -3.744  -4.986
  190   1HG1  VAL  29          1HG1      VAL  29   6.825  -6.185  -4.160
  191   2HG1  VAL  29          2HG1      VAL  29   5.717  -4.973  -4.806
  192   3HG1  VAL  29          3HG1      VAL  29   7.086  -5.523  -5.774
  193   1HG2  VAL  29          1HG2      VAL  29   5.885  -3.579  -3.071
  194   2HG2  VAL  29          2HG2      VAL  29   7.315  -2.581  -2.810
  195   3HG2  VAL  29          3HG2      VAL  29   6.400  -2.435  -4.310
  196    H    HIS  30           H        HIS  30   8.207  -3.334  -1.128
  197    HA   HIS  30           HA       HIS  30  10.070  -1.256  -1.758
  198   1HB   HIS  30          2HB       HIS  30   8.359  -1.737   0.683
  199    HD1  HIS  30           1HD      HIS  30   8.656   0.864  -2.133
  200    HD2  HIS  30           2HD      HIS  30   5.821  -1.330  -0.012
  201    HE1  HIS  30           1HE      HIS  30   6.389   1.544  -3.037
  202    H    THR  31           H        THR  31  11.448  -3.622  -1.567
  203    HA   THR  31           HA       THR  31  13.648  -2.818  -0.153
  204    HB   THR  31           HB       THR  31  12.523  -3.279   1.933
  205    HG1  THR  31           1HG      THR  31  14.805  -3.891   1.627
  206   1HG2  THR  31          1HG2      THR  31  10.984  -5.060   0.902
  207   2HG2  THR  31          2HG2      THR  31  11.536  -5.307   2.559
  208   3HG2  THR  31          3HG2      THR  31  12.296  -6.190   1.235
  209    H    ASP  32           H        ASP  32  11.921  -5.859  -0.959
  210    HA   ASP  32           HA       ASP  32  14.432  -6.962  -1.972
  211   1HB   ASP  32          2HB       ASP  32  12.879  -8.359  -0.574
  212    H    THR  33           H        THR  33  13.226  -4.710  -3.251
  213    HA   THR  33           HA       THR  33  13.419  -5.585  -5.957
  214    HB   THR  33           HB       THR  33  10.789  -4.286  -5.139
  215    HG1  THR  33           1HG      THR  33  11.546  -6.905  -5.161
  216   1HG2  THR  33          1HG2      THR  33  11.653  -3.789  -7.430
  217   2HG2  THR  33          2HG2      THR  33  10.109  -4.643  -7.418
  218   3HG2  THR  33          3HG2      THR  33  11.600  -5.515  -7.774
  219    H    LEU  34           H        LEU  34  14.806  -4.039  -4.139
  220    HA   LEU  34           HA       LEU  34  15.087  -1.508  -5.500
  221   1HB   LEU  34          2HB       LEU  34  14.262  -1.648  -2.590
  222    HG   LEU  34           HG       LEU  34  12.331  -1.464  -4.154
  223   1HD1  LEU  34          1HD1      LEU  34  13.038   0.766  -2.281
  224   2HD1  LEU  34          2HD1      LEU  34  11.485   0.729  -3.118
  225   3HD1  LEU  34          3HD1      LEU  34  11.934  -0.585  -2.030
  226   1HD2  LEU  34          1HD2      LEU  34  13.741   1.081  -4.951
  227   2HD2  LEU  34          2HD2      LEU  34  13.323  -0.281  -5.990
  228   3HD2  LEU  34          3HD2      LEU  34  12.050   0.732  -5.310
  229    H    SER  35           H        SER  35  16.740  -3.601  -5.465
  230    HA   SER  35           HA       SER  35  19.067  -2.694  -4.018
  231   1HB   SER  35          2HB       SER  35  19.344  -4.941  -2.915
  232    HG   SER  35           HG       SER  35  17.564  -6.276  -2.766
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  -7.603 -12.750   7.873
    2   2H    GLY   1          2H        GLY   1  -7.628 -11.220   8.594
    3   3H    GLY   1          3H        GLY   1  -7.455 -11.361   6.912
    4   1HA   GLY   1          2HA       GLY   1  -9.693 -12.466   6.886
    5   2HA   GLY   1          1HA       GLY   1  -9.851 -11.931   8.552
    6    H    SER   2           H        SER   2  -8.496 -10.325   5.667
    7    HA   SER   2           HA       SER   2  -9.608  -7.822   6.362
    8   1HB   SER   2          2HB       SER   2  -8.573  -8.789   3.687
    9    HG   SER   2           HG       SER   2  -7.316  -8.183   6.013
   10    H    SER   3           H        SER   3 -11.555  -6.998   6.036
   11    HA   SER   3           HA       SER   3 -13.616  -8.452   4.682
   12   1HB   SER   3          2HB       SER   3 -13.626  -5.616   5.739
   13    HG   SER   3           HG       SER   3 -13.988  -8.123   6.929
   14    H    GLY   4           H        GLY   4 -11.337  -6.059   3.857
   15   1HA   GLY   4          1HA       GLY   4 -10.778  -5.235   1.747
   16   2HA   GLY   4          2HA       GLY   4 -12.247  -5.951   1.100
   17    H    LYS   5           H        LYS   5 -10.816  -3.152   1.431
   18    HA   LYS   5           HA       LYS   5 -13.138  -1.544   1.155
   19   1HB   LYS   5          2HB       LYS   5 -12.863  -2.061   3.701
   20   1HG   LYS   5          2HG       LYS   5 -12.979   0.820   2.839
   21   1HD   LYS   5          2HD       LYS   5 -13.798  -0.592   5.364
   22   1HE   LYS   5          2HE       LYS   5 -15.491   1.060   4.731
   23   1HZ   LYS   5          1HZ       LYS   5 -14.939   3.372   4.551
   24   2HZ   LYS   5          2HZ       LYS   5 -14.074   2.512   3.374
   25   3HZ   LYS   5          3HZ       LYS   5 -13.291   3.058   4.778
   26    H    ARG   6           H        ARG   6 -12.488   0.488   0.293
   27    HA   ARG   6           HA       ARG   6 -10.048   0.249  -1.044
   28   1HB   ARG   6          2HB       ARG   6 -12.077   2.440  -1.076
   29   1HG   ARG   6          2HG       ARG   6 -12.880   0.425  -2.088
   30   1HD   ARG   6          2HD       ARG   6 -10.882  -0.817  -2.494
   31    HE   ARG   6           HE       ARG   6  -9.063   0.225  -3.339
   32   1HH1  ARG   6          2HH1      ARG   6 -11.831   1.500  -5.076
   33   2HH1  ARG   6          1HH1      ARG   6 -10.873   2.580  -6.046
   34   1HH2  ARG   6          2HH2      ARG   6  -7.821   1.623  -4.631
   35   2HH2  ARG   6          1HH2      ARG   6  -8.597   2.654  -5.790
   36    HA   PRO   7           HA       PRO   7  -8.526   4.197   1.389
   37   1HB   PRO   7          2HB       PRO   7  -8.718   3.948   4.066
   38   1HG   PRO   7          2HG       PRO   7  -9.815   1.854   4.037
   39   1HD   PRO   7          2HD       PRO   7 -11.213   1.236   2.264
   40    H    PHE   8           H        PHE   8  -8.011   0.989   1.444
   41    HA   PHE   8           HA       PHE   8  -5.780   0.804   3.246
   42   1HB   PHE   8          2HB       PHE   8  -6.796  -1.083   1.116
   43    HD1  PHE   8           1HD      PHE   8  -8.265   0.472   3.553
   44    HD2  PHE   8           2HD      PHE   8  -6.778  -3.441   2.836
   45    HE1  PHE   8           1HE      PHE   8  -9.932  -0.442   5.111
   46    HE2  PHE   8           2HE      PHE   8  -8.432  -4.372   4.383
   47    HZ   PHE   8           HZ       PHE   8 -10.013  -2.861   5.533
   48    H    VAL   9           H        VAL   9  -5.130   2.883   1.769
   49    HA   VAL   9           HA       VAL   9  -3.659   2.180  -0.599
   50    HB   VAL   9           HB       VAL   9  -4.709   4.436  -0.219
   51   1HG1  VAL   9          1HG1      VAL   9  -3.320   4.350   2.171
   52   2HG1  VAL   9          2HG1      VAL   9  -2.443   5.534   1.202
   53   3HG1  VAL   9          3HG1      VAL   9  -4.170   5.742   1.495
   54   1HG2  VAL   9          1HG2      VAL   9  -2.939   3.989  -1.915
   55   2HG2  VAL   9          2HG2      VAL   9  -3.000   5.660  -1.350
   56   3HG2  VAL   9          3HG2      VAL   9  -1.750   4.572  -0.749
   57    H    CYS  10           H        CYS  10  -1.464   1.944  -0.807
   58    HA   CYS  10           HA       CYS  10  -0.087   0.769   1.272
   59   1HB   CYS  10          2HB       CYS  10   0.532   0.382  -1.022
   60    H    ARG  11           H        ARG  11   1.128   1.428   2.845
   61    HA   ARG  11           HA       ARG  11   1.148   4.122   3.652
   62   1HB   ARG  11          2HB       ARG  11   2.515   3.340   5.532
   63   1HG   ARG  11          2HG       ARG  11   2.601   0.686   4.116
   64   1HD   ARG  11          2HD       ARG  11   3.996   0.030   6.062
   65    HE   ARG  11           HE       ARG  11   1.579   0.625   7.440
   66   1HH1  ARG  11          2HH1      ARG  11   2.898  -1.283   4.814
   67   2HH1  ARG  11          1HH1      ARG  11   1.595  -2.428   4.812
   68   1HH2  ARG  11          2HH2      ARG  11  -0.147  -0.866   7.439
   69   2HH2  ARG  11          1HH2      ARG  11  -0.152  -2.178   6.293
   70    H    ILE  12           H        ILE  12   3.544   2.052   2.096
   71    HA   ILE  12           HA       ILE  12   5.645   3.975   2.442
   72    HB   ILE  12           HB       ILE  12   5.651   1.521   0.684
   73   1HG1  ILE  12          2HG1      ILE  12   5.164   0.914   3.010
   74   1HG2  ILE  12          1HG2      ILE  12   7.507   2.629  -0.019
   75   2HG2  ILE  12          2HG2      ILE  12   7.683   3.523   1.493
   76   3HG2  ILE  12          3HG2      ILE  12   8.194   1.837   1.401
   77   1HD1  ILE  12          1HD1      ILE  12   7.601   1.502   4.300
   78   2HD1  ILE  12          2HD1      ILE  12   6.942   3.014   3.669
   79   3HD1  ILE  12          3HD1      ILE  12   5.967   2.007   4.742
   80    H    CYS  13           H        CYS  13   3.874   2.747  -0.433
   81    HA   CYS  13           HA       CYS  13   4.759   5.202  -1.760
   82   1HB   CYS  13          2HB       CYS  13   4.189   4.252  -3.922
   83    H    LEU  14           H        LEU  14   2.125   4.127  -3.400
   84    HA   LEU  14           HA       LEU  14   0.064   5.134  -1.667
   85   1HB   LEU  14          2HB       LEU  14   0.919   6.745  -4.068
   86    HG   LEU  14           HG       LEU  14   1.872   7.504  -1.915
   87   1HD1  LEU  14          1HD1      LEU  14   1.698   9.296  -3.322
   88   2HD1  LEU  14          2HD1      LEU  14  -0.046   9.120  -3.508
   89   3HD1  LEU  14          3HD1      LEU  14   0.616   9.828  -2.034
   90   1HD2  LEU  14          1HD2      LEU  14  -0.533   8.606  -0.803
   91   2HD2  LEU  14          2HD2      LEU  14  -0.685   6.853  -0.944
   92   3HD2  LEU  14          3HD2      LEU  14   0.665   7.555  -0.048
   93    H    SER  15           H        SER  15   0.529   2.685  -2.977
   94    HA   SER  15           HA       SER  15  -1.468   2.597  -5.114
   95   1HB   SER  15          2HB       SER  15   0.141   0.345  -3.874
   96    HG   SER  15           HG       SER  15   1.638   1.581  -4.853
   97    H    ALA  16           H        ALA  16  -3.585   2.298  -4.572
   98    HA   ALA  16           HA       ALA  16  -4.200   1.462  -1.850
   99   1HB   ALA  16          1HB       ALA  16  -6.479   1.932  -3.616
  100   2HB   ALA  16          2HB       ALA  16  -6.096   2.630  -2.039
  101   3HB   ALA  16          3HB       ALA  16  -5.370   3.300  -3.501
  102    H    PHE  17           H        PHE  17  -4.896  -0.498  -1.274
  103    HA   PHE  17           HA       PHE  17  -5.793  -2.335  -3.403
  104   1HB   PHE  17          2HB       PHE  17  -4.269  -3.095  -0.889
  105    HD1  PHE  17           1HD      PHE  17  -2.673  -1.209  -1.897
  106    HD2  PHE  17           2HD      PHE  17  -3.412  -5.010  -3.664
  107    HE1  PHE  17           1HE      PHE  17  -0.572  -1.032  -3.157
  108    HE2  PHE  17           2HE      PHE  17  -1.308  -4.836  -4.924
  109    HZ   PHE  17           HZ       PHE  17   0.116  -2.841  -4.668
  110    H    THR  18           H        THR  18  -7.470  -3.812  -2.811
  111    HA   THR  18           HA       THR  18  -9.418  -2.605  -1.160
  112    HB   THR  18           HB       THR  18 -10.729  -4.685  -1.505
  113    HG1  THR  18           1HG      THR  18  -9.857  -6.353  -2.681
  114   1HG2  THR  18          1HG2      THR  18  -9.503  -3.760  -4.098
  115   2HG2  THR  18          2HG2      THR  18 -10.596  -2.748  -3.151
  116   3HG2  THR  18          3HG2      THR  18 -11.158  -4.290  -3.799
  117    H    THR  19           H        THR  19  -7.390  -5.478  -0.645
  118    HA   THR  19           HA       THR  19  -8.367  -5.537   2.123
  119    HB   THR  19           HB       THR  19  -7.585  -7.866   2.211
  120    HG1  THR  19           1HG      THR  19  -7.281  -8.183  -0.490
  121   1HG2  THR  19          1HG2      THR  19  -9.146  -8.670   0.220
  122   2HG2  THR  19          2HG2      THR  19  -9.581  -6.960   0.203
  123   3HG2  THR  19          3HG2      THR  19  -9.806  -7.914   1.671
  124    H    LYS  20           H        LYS  20  -6.952  -5.826   3.835
  125    HA   LYS  20           HA       LYS  20  -4.427  -4.571   3.789
  126   1HB   LYS  20          2HB       LYS  20  -5.602  -6.610   5.684
  127   1HG   LYS  20          2HG       LYS  20  -5.133  -3.679   5.951
  128   1HD   LYS  20          2HD       LYS  20  -6.380  -5.642   7.868
  129   1HE   LYS  20          2HE       LYS  20  -5.980  -2.663   8.088
  130   1HZ   LYS  20          1HZ       LYS  20  -6.423  -2.805  10.256
  131   2HZ   LYS  20          2HZ       LYS  20  -5.963  -4.432  10.133
  132   3HZ   LYS  20          3HZ       LYS  20  -7.604  -4.005  10.052
  133    H    ALA  21           H        ALA  21  -5.565  -7.793   3.320
  134    HA   ALA  21           HA       ALA  21  -3.194  -9.179   3.442
  135   1HB   ALA  21          1HB       ALA  21  -4.689 -10.819   3.246
  136   2HB   ALA  21          2HB       ALA  21  -5.908  -9.679   2.668
  137   3HB   ALA  21          3HB       ALA  21  -4.813 -10.460   1.523
  138    H    ASN  22           H        ASN  22  -4.748  -7.579   0.648
  139    HA   ASN  22           HA       ASN  22  -2.773  -8.406  -1.238
  140   1HB   ASN  22          2HB       ASN  22  -4.685  -6.068  -1.332
  141   1HD2  ASN  22          1HD2      ASN  22  -6.619  -6.528  -2.138
  142   2HD2  ASN  22          2HD2      ASN  22  -7.086  -8.048  -2.821
  143    H    CYS  23           H        CYS  23  -3.096  -5.569   0.839
  144    HA   CYS  23           HA       CYS  23  -0.896  -4.124  -0.153
  145   1HB   CYS  23          2HB       CYS  23  -2.576  -3.148   1.356
  146    HG   CYS  23           HG       CYS  23  -1.003  -1.205   1.879
  147    H    ALA  24           H        ALA  24  -1.159  -6.660   2.282
  148    HA   ALA  24           HA       ALA  24   1.453  -6.586   3.279
  149   1HB   ALA  24          1HB       ALA  24  -0.805  -8.410   3.376
  150   2HB   ALA  24          2HB       ALA  24   0.749  -9.243   3.412
  151   3HB   ALA  24          3HB       ALA  24   0.384  -8.008   4.616
  152    H    ARG  25           H        ARG  25   0.124  -8.520   0.565
  153    HA   ARG  25           HA       ARG  25   2.603  -9.794   0.031
  154   1HB   ARG  25          2HB       ARG  25   1.635 -10.587  -2.038
  155   1HG   ARG  25          2HG       ARG  25  -0.708  -8.770  -1.540
  156   1HD   ARG  25          2HD       ARG  25  -0.105 -10.758  -3.727
  157    HE   ARG  25           HE       ARG  25  -1.764  -8.502  -3.871
  158   1HH1  ARG  25          2HH1      ARG  25  -1.882 -11.949  -4.530
  159   2HH1  ARG  25          1HH1      ARG  25  -3.088 -11.784  -5.775
  160   1HH2  ARG  25          2HH2      ARG  25  -3.316  -8.293  -5.537
  161   2HH2  ARG  25          1HH2      ARG  25  -3.871  -9.719  -6.364
  162    H    HIS  26           H        HIS  26   1.102  -6.857  -1.127
  163    HA   HIS  26           HA       HIS  26   2.884  -6.163  -3.190
  164   1HB   HIS  26          2HB       HIS  26   0.849  -4.961  -3.022
  165    HD1  HIS  26           1HD      HIS  26   2.595  -3.611  -4.744
  166    HD2  HIS  26           2HD      HIS  26   2.251  -2.242  -0.827
  167    HE1  HIS  26           1HE      HIS  26   3.638  -1.285  -4.680
  168    H    LEU  27           H        LEU  27   2.913  -5.505   0.263
  169    HA   LEU  27           HA       LEU  27   4.724  -3.544   0.478
  170   1HB   LEU  27          2HB       LEU  27   3.425  -4.507   2.324
  171    HG   LEU  27           HG       LEU  27   6.368  -4.395   2.998
  172   1HD1  LEU  27          1HD1      LEU  27   4.371  -2.350   2.380
  173   2HD1  LEU  27          2HD1      LEU  27   5.217  -2.089   3.906
  174   3HD1  LEU  27          3HD1      LEU  27   6.130  -2.246   2.405
  175   1HD2  LEU  27          1HD2      LEU  27   5.754  -4.171   5.251
  176   2HD2  LEU  27          2HD2      LEU  27   4.054  -3.923   4.851
  177   3HD2  LEU  27          3HD2      LEU  27   4.785  -5.516   4.649
  178    H    LYS  28           H        LYS  28   5.557  -6.916  -0.064
  179    HA   LYS  28           HA       LYS  28   8.214  -6.932   0.680
  180   1HB   LYS  28          2HB       LYS  28   8.524  -8.816  -0.808
  181   1HG   LYS  28          2HG       LYS  28   5.845  -8.116  -1.996
  182   1HD   LYS  28          2HD       LYS  28   6.106 -10.518  -1.686
  183   1HE   LYS  28          2HE       LYS  28   8.629 -10.234  -3.312
  184   1HZ   LYS  28          1HZ       LYS  28   8.548 -12.417  -3.612
  185   2HZ   LYS  28          2HZ       LYS  28   6.943 -12.386  -3.071
  186   3HZ   LYS  28          3HZ       LYS  28   8.199 -12.715  -1.980
  187    H    VAL  29           H        VAL  29   6.859  -5.449  -2.197
  188    HA   VAL  29           HA       VAL  29   9.234  -5.289  -3.684
  189    HB   VAL  29           HB       VAL  29   8.268  -3.445  -4.908
  190   1HG1  VAL  29          1HG1      VAL  29   7.448  -5.627  -5.474
  191   2HG1  VAL  29          2HG1      VAL  29   6.234  -5.551  -4.194
  192   3HG1  VAL  29          3HG1      VAL  29   6.121  -4.471  -5.586
  193   1HG2  VAL  29          1HG2      VAL  29   5.804  -2.847  -4.040
  194   2HG2  VAL  29          2HG2      VAL  29   6.601  -3.125  -2.491
  195   3HG2  VAL  29          3HG2      VAL  29   7.239  -1.914  -3.607
  196    H    HIS  30           H        HIS  30   7.958  -3.246  -1.098
  197    HA   HIS  30           HA       HIS  30  10.158  -1.374  -1.232
  198   1HB   HIS  30          2HB       HIS  30   8.084  -1.733   0.939
  199    HD1  HIS  30           1HD      HIS  30   8.724   0.821  -1.882
  200    HD2  HIS  30           2HD      HIS  30   5.669  -1.249   0.033
  201    HE1  HIS  30           1HE      HIS  30   6.545   1.589  -2.952
  202    H    THR  31           H        THR  31  10.801  -4.166  -0.859
  203    HA   THR  31           HA       THR  31  12.880  -3.889   0.998
  204    HB   THR  31           HB       THR  31  11.143  -4.243   2.710
  205    HG1  THR  31           1HG      THR  31  13.257  -5.966   2.297
  206   1HG2  THR  31          1HG2      THR  31  10.400  -6.879   2.575
  207   2HG2  THR  31          2HG2      THR  31  10.314  -6.370   0.887
  208   3HG2  THR  31          3HG2      THR  31   9.390  -5.507   2.121
  209    H    ASP  32           H        ASP  32  12.224  -4.560  -1.669
  210    HA   ASP  32           HA       ASP  32  14.072  -6.608  -2.139
  211   1HB   ASP  32          2HB       ASP  32  12.064  -8.010  -1.474
  212    H    THR  33           H        THR  33  12.208  -7.159  -4.671
  213    HA   THR  33           HA       THR  33  13.340  -5.026  -6.258
  214    HB   THR  33           HB       THR  33  11.414  -7.221  -7.052
  215    HG1  THR  33           1HG      THR  33  13.451  -7.976  -6.195
  216   1HG2  THR  33          1HG2      THR  33  11.646  -6.576  -9.208
  217   2HG2  THR  33          2HG2      THR  33  13.327  -6.090  -8.988
  218   3HG2  THR  33          3HG2      THR  33  12.025  -5.009  -8.487
  219    H    LEU  34           H        LEU  34  12.328  -3.175  -6.825
  220    HA   LEU  34           HA       LEU  34   9.667  -2.648  -5.838
  221   1HB   LEU  34          2HB       LEU  34  11.561  -0.974  -7.483
  222    HG   LEU  34           HG       LEU  34  12.288  -1.215  -5.138
  223   1HD1  LEU  34          1HD1      LEU  34  12.082   1.067  -6.599
  224   2HD1  LEU  34          2HD1      LEU  34  11.256   1.526  -5.111
  225   3HD1  LEU  34          3HD1      LEU  34  12.920   0.937  -5.053
  226   1HD2  LEU  34          1HD2      LEU  34  10.727  -1.416  -3.568
  227   2HD2  LEU  34          2HD2      LEU  34  10.422   0.311  -3.749
  228   3HD2  LEU  34          3HD2      LEU  34   9.462  -0.852  -4.663
  229    H    SER  35           H        SER  35  11.196  -3.104  -8.970
  230    HA   SER  35           HA       SER  35   8.820  -2.545 -10.444
  231   1HB   SER  35          2HB       SER  35  10.194  -3.347 -12.382
  232    HG   SER  35           HG       SER  35  11.424  -4.836 -10.945