NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
476620 2kxh cing 1-original 1 XPLOR/CNS distance NOE ambi


ASSI {     1}
   (( segid "   A" and resid 232   and name HA  ))
   (( segid "   B" and resid 30    and name HB% ))
      2.800     1.000     0.700 peak   1 spectrum    5
ASSI {     2}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid 35    and name HD2%  ))
      2.800     1.000     0.700 peak   2 spectrum    5
OR {     2}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid 35    and name HD1%  ))
ASSI {     3}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid 30    and name HB%  ))
      3.500     1.700     1.500 peak   3 spectrum    5
ASSI {     4}
   (( segid "   A" and resid 227   and name HB2  ))
   (( segid "   B" and resid 35    and name HD2% ))
      3.500     1.700     1.500 peak   4 spectrum    5
OR {     4}
   (( segid "   A" and resid 227   and name HB2  ))
   (( segid "   B" and resid 35    and name HD1% ))    
ASSI {     5}
   (( segid "   A" and resid 227   and name HB1  ))
   (( segid "   B" and resid 35    and name HD1% ))
      3.500     1.700     1.500 peak   5 spectrum    5
OR {     5}
   (( segid "   A" and resid 227   and name HB1  ))
   (( segid "   B" and resid 35    and name HD2% ))
ASSI {    6}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid 33    and name HB1 ))
      2.800     1.000     0.700 peak   6 spectrum    5
ASSI {    7}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid 33    and name HB2 ))
      2.800     1.000     0.700 peak   7 spectrum    5
ASSI {    8}
   (( segid "   A" and resid 224   and name HB1 ))
   (( segid "   B" and resid 41    and name HG2% ))
      3.500     1.700     1.500 peak   8 spectrum    5
OR {     8}
   (( segid "   A" and resid 224   and name HB1 ))
   (( segid "   B" and resid 41    and name HD1% ))
ASSI {    9}
   (( segid "   A" and resid 224   and name HB2 ))
   (( segid "   B" and resid 41    and name HG2% ))
      3.500     1.700     1.500 peak  9 spectrum    5
OR {     9}
   (( segid "   A" and resid 224   and name HB2 ))
   (( segid "   B" and resid 41    and name HD1% ))
ASSI {    10}
   (( segid "   A" and resid 224   and name HA ))
   (( segid "   B" and resid 41    and name HG2% ))
      2.800     1.000     0.700  peak 10 spectrum    5
OR {     10}
   (( segid "   A" and resid 224   and name HA ))
   (( segid "   B" and resid 41    and name HD1% ))   
ASSI {    11}
   (( segid "   A" and resid 275   and name HD1% ))
   (( segid "   B" and resid 41    and name HD1% ))
      2.300     0.500     0.500 peak  11 spectrum    5
OR {     11}
   (( segid "   A" and resid 275   and name HD1% ))
   (( segid "   B" and resid 41    and name HG2% ))
ASSI {    12}
   (( segid "   A" and resid 269   and name HB1 ))
   (( segid "   B" and resid 27    and name HG1%))
      3.500     1.700     1.500 peak  12 spectrum    5
OR {    12}
   (( segid "   A" and resid 269   and name HB1 ))
   (( segid "   B" and resid 27    and name HG2%))
ASSI {    13}
   (( segid "   A" and resid 269   and name HB2 ))
   (( segid "   B" and resid 27    and name HG1%))
      3.500     1.700     1.500 peak  13 spectrum    5
OR {    13}
   (( segid "   A" and resid 269   and name HB2 ))
   (( segid "   B" and resid 27    and name HG2%))
ASSI {    14}
   (( segid "   A" and resid 269   and name HA ))
   (( segid "   B" and resid 27    and name HG1%))
      3.500     1.700     1.500 peak  14 spectrum    5
OR {    14}
   (( segid "   A" and resid 269   and name HA ))
   (( segid "   B" and resid 27    and name HG2%))
ASSI {    15}
   (( segid "   A" and resid 265   and name HA ))
   (( segid "   B" and resid 27    and name HG1%))
      3.500     1.700     1.500 peak  15 spectrum    5
OR {    15}
   (( segid "   A" and resid 265   and name HA ))
   (( segid "   B" and resid 27    and name HG2%))
ASSI {    16}
   (( segid "   A" and resid 265   and name HB1 ))
   (( segid "   B" and resid 27    and name HG1%))
      3.500     1.700     1.500 peak  16 spectrum    5
OR {    16}
   (( segid "   A" and resid 265   and name HB1 ))
   (( segid "   B" and resid 27    and name HG2%))
ASSI {    17}
   (( segid "   A" and resid 265   and name HB2 ))
   (( segid "   B" and resid 27    and name HG1%))
      3.500     1.700     1.500 peak  17 spectrum    5
OR {    17}
   (( segid "   A" and resid 265   and name HB2 ))
   (( segid "   B" and resid 27    and name HG2%))
ASSI {    18}
   (( segid "   A" and resid 220   and name HD1% ))
   (( segid "   B" and resid 39    and name HG1))
      3.500     1.700     1.500 peak  18 spectrum    5
ASSI {    19}
   (( segid "   A" and resid 220   and name HD1% ))
   (( segid "   B" and resid 39    and name HG2))
      3.500     1.700     1.500 peak  19 spectrum    5
ASSI {    20}
   (( segid "   A" and resid 231   and name HB% ))
   (( segid "   B" and resid 37    and name HD1))
      4.000     2.200     2.000 peak  20 spectrum    5
ASSI {    21}
   (( segid "   A" and resid 231   and name HB% ))
   (( segid "   B" and resid 37    and name HD2))
      4.000     2.200     2.000 peak  21 spectrum    5
ASSI {    22}
   (( segid "   A" and resid 269   and name HB1  ))
   (( segid "   B" and resid  31    and name HD%  ))
     3.500     1.700     1.500 peak   22 spectrum    5
ASSI {    23}
   (( segid "   A" and resid 269   and name HB2  ))
   (( segid "   B" and resid  31    and name HD%  ))
     3.500     1.700     1.500 peak   23 spectrum    5
ASSI {    24}
   (( segid "   A" and resid 220   and name HD2%  ))
   (( segid "   B" and resid  41   and name HD1%  ))
     2.800     1.000     0.700 peak   24 spectrum    5
OR {     24}
   (( segid "   A" and resid 220   and name HD2%  ))
   (( segid "   B" and resid  41   and name HG2%  ))
ASSI {    25}
   (( segid "   A" and resid 220   and name HD1%  ))
   (( segid "   B" and resid  41   and name HD1%  ))
     2.800     1.000    0.700 peak   25 spectrum    5
OR {     25}
   (( segid "   A" and resid 220   and name HD1%  ))
   (( segid "   B" and resid  41   and name HG2%  ))
ASSI {    26}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  41   and name HD1%  ))
     2.300     0.500    0.500 peak   26 spectrum    5
OR {     26}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  41   and name HG2%  ))
ASSI {    27}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  41   and name HD1%  ))
     3.500     1.700    1.500 peak   27 spectrum    5
OR {     27}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  41   and name HG2%  ))
ASSI {    28}
   (( segid "   A" and resid 227   and name HB1  ))
   (( segid "   B" and resid  41   and name HD1%  ))
     3.500     1.700    1.500 peak   28 spectrum    5
OR {     28}
   (( segid "   A" and resid 227   and name HB1  ))
   (( segid "   B" and resid  41   and name HG2%  ))
ASSI {    29}
   (( segid "   A" and resid 227   and name HB2  ))
   (( segid "   B" and resid  41   and name HD1%  ))
     3.500     1.700    1.500 peak   29 spectrum    5
OR {     29}
   (( segid "   A" and resid 227   and name HB2  ))
   (( segid "   B" and resid  41   and name HG2%  ))
ASSI {    30}
   (( segid "   A" and resid 275   and name HD2%  ))
   (( segid "   B" and resid  41   and name HD1%  ))
     2.800     1.000    0.700 peak   30 spectrum    5
OR {     30}
   (( segid "   A" and resid 275   and name HD2%  ))
   (( segid "   B" and resid  41   and name HG2%  ))
ASSI {    31}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  34   and name HA  ))
     2.300     0.500    0.500 peak   31 spectrum    5   
OR {     31}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  35   and name HA  ))
OR {     31}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  38   and name HA  ))
ASSI {    32}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  37   and name HB1  ))
     2.800     1.000    0.700 peak   32 spectrum    5      
OR {     32}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  37   and name HB2  ))
OR {     32}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  41   and name HB  ))
ASSI {    33}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  38   and name HB%  ))
     2.800     1.000    0.700 peak   33 spectrum    5 
ASSI {    34}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid  41   and name HG11  ))
     3.500     1.700    1.500 peak   34 spectrum    5
ASSI {    35}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  34   and name HA  ))
     3.500     1.700    1.500 peak   35 spectrum    5
OR {     35}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  35   and name HA  ))
ASSI {    36}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  37   and name HB1  ))
     3.500     1.700    1.500 peak   36 spectrum    5
OR {     36}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  37   and name HB2  ))
OR {     36}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  41   and name HB  )) 
ASSI {    37}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  38   and name HB%  ))
     2.800     1.000    0.700 peak   37 spectrum    5
ASSI {    38}
   (( segid "   A" and resid 228   and name HG2%  ))
   (( segid "   B" and resid  34   and name HB%  ))
     3.500     1.700    1.500 peak   38 spectrum    5     
ASSI {    39}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  30   and name HA  ))
     2.300     0.500    0.500 peak   39 spectrum    5
OR {     39}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  34   and name HA  ))
ASSI {    40}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  31   and name HB1  ))
     4.000     2.200     2.000 peak   40 spectrum    5
OR {     40}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  31   and name HB2  )) 
ASSI {    41}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  37   and name HB1  ))
     3.500     1.700    1.500 peak   41 spectrum    5
ASSI {    42}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  37   and name HB2  ))
     3.500     1.700    1.500 peak   42 spectrum    5
ASSI {    43}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  34   and name HB%  ))
     3.500     1.700    1.500 peak   43 spectrum    5
ASSI {    44}
   (( segid "   A" and resid 232   and name HA  ))
   (( segid "   B" and resid 34    and name HB% ))
      3.500    1.700    1.500 peak   44 spectrum    5
ASSI {    45}
   (( segid "   A" and resid 275   and name HD1%  ))
   (( segid "   B" and resid 41    and name HB ))
      3.500    1.700    1.500 peak   45 spectrum    5
ASSI {    46}
   (( segid "   A" and resid 275   and name HD1%  ))
   (( segid "   B" and resid 38    and name HB% ))
      2.800    1.000    0.700 peak   46 spectrum    5
ASSI {    47}
   (( segid "   A" and resid 232   and name HD%  ))
   (( segid "   B" and resid 30    and name HB% ))
     3.500    1.700    1.500 peak   47 spectrum    5
ASSI {    48}
   (( segid "   A" and resid 232   and name HE%  ))
   (( segid "   B" and resid 30    and name HB% ))
     3.500    1.700    1.500 peak   48 spectrum    5
ASSI {    49}
   (( segid "   A" and resid 273   and name HE%  ))
   (( segid "   B" and resid 41    and name HG2% ))
     3.500    1.700    1.500 peak   49 spectrum    5
ASSI {    50}
   (( segid "   A" and resid 273   and name HE%  ))
   (( segid "   B" and resid 41    and name HD1% ))
     3.500    1.700    1.500 peak   50 spectrum    5
ASSI {    51}
   (( segid "   A" and resid 273   and name HD%  ))
   (( segid "   B" and resid 41    and name HD1% ))
     3.500    1.700    1.500 peak   51 spectrum    5
ASSI {    52}
   (( segid "   A" and resid 232   and name HE%  ))
   (( segid "   B" and resid 34    and name HA ))
     2.800    1.000    0.700 peak   52 spectrum    5
ASSI {    53}
   (( segid "   A" and resid 273   and name HD%  ))
   (( segid "   B" and resid 38    and name HA ))
     3.500    1.700    1.500 peak   53 spectrum    5
ASSI {    54}
   (( segid "   A" and resid 273   and name HE%  ))
   (( segid "   B" and resid 38    and name HA ))
     2.800    1.000    0.700 peak   54 spectrum    5
ASSI {    55}
   (( segid "   A" and resid 273   and name HD%  ))
   (( segid "   B" and resid 35    and name HG ))
     3.500    1.700    1.500 peak   55 spectrum    5                 
ASSI {    56}
   (( segid "   A" and resid 232   and name HD%  ))
   (( segid "   B" and resid 27    and name HG1% ))
     3.500    1.700    1.500 peak   56 spectrum    5
OR {     56}
   (( segid "   A" and resid 232   and name HD%  ))
   (( segid "   B" and resid 27    and name HG2% ))
ASSI {    57}
   (( segid "   A" and resid 232   and name HE%  ))
   (( segid "   B" and resid 27    and name HG1% ))
     3.500    1.800    1.500 peak   57 spectrum    5
OR {     57}
   (( segid "   A" and resid 232   and name HE%  ))
   (( segid "   B" and resid 27    and name HG2% ))
ASSI {    58}
   (( segid "   A" and resid 232   and name HD%  ))
   (( segid "   B" and resid 31    and name HA ))
     2.300    0.500    0.500 peak   58 spectrum    5
!#ASSI {    59}
!#   (( segid "   A" and resid 273   and name HE%  ))
!#   (( segid "   B" and resid 35    and name HA ))
!#     2.800    1.000    0.700 peak   59 spectrum    5
ASSI {    60}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid 31    and name HD% ))
     2.800    1.000    0.700 peak   60 spectrum    5
ASSI {    61}
   (( segid "   A" and resid 228   and name HG1%  ))
   (( segid "   B" and resid 31    and name HE% ))
     2.800    1.000    0.700 peak   61 spectrum    5
ASSI {    62}
   (( segid "   A" and resid 220   and name HD1%  ))
   (( segid "   B" and resid  44    and name HE1 ))
     3.500    1.700    1.500 peak   62 spectrum    5
OR {     62}
   (( segid "   A" and resid 220   and name HD1%  ))
   (( segid "   B" and resid  44    and name HE2 ))
ASSI {    63}
   (( segid "   A" and resid 219   and name HB1  ))
   (( segid "   B" and resid  45    and name HA ))
     3.500    1.700    1.500 peak   63 spectrum    5
ASSI {    64}
   (( segid "   A" and resid 219   and name HB2  ))
   (( segid "   B" and resid  45    and name HA ))
     3.500    1.700    1.500 peak   64 spectrum    5     
ASSI {    65}
   (( segid "   A" and resid 220   and name HD1%  ))
   (( segid "   B" and resid  41    and name HB ))
     3.500    1.700    1.500 peak   65 spectrum    5
ASSI {    66}
   (( segid "   A" and resid 220   and name HD1%  ))
   (( segid "   B" and resid  38    and name HB% ))
     3.500    1.700    1.500 peak   66 spectrum    5
ASSI {    67}
   (( segid "   A" and resid 228   and name HA  ))
   (( segid "   B" and resid  37    and name HB1 ))
     3.500    1.700    1.500 peak   67 spectrum    5
OR {     67}
   (( segid "   A" and resid 228   and name HA  ))
   (( segid "   B" and resid  37    and name HB2 ))
ASSI {    68}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  33    and name HA ))
     3.500    1.700    1.500 peak   68 spectrum    5
ASSI {    69}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  37    and name HG1 ))
     3.500    1.700    1.500 peak   69 spectrum    5                        
OR {     69}
   (( segid "   A" and resid 231   and name HB%  ))
   (( segid "   B" and resid  37    and name HG2 ))
ASSI {    70}
   (( segid "   A" and resid 270   and name HE%  ))
   (( segid "   B" and resid  38    and name HB% ))
     4.000     2.200     2.000 peak   70 spectrum    5
ASSI {    71}
   (( segid "   A" and resid 270   and name HE%  ))
   (( segid "   B" and resid  34    and name HB% ))
     4.000     2.200     2.000 peak   71 spectrum    5
ASSI {    72}
   (( segid "   A" and resid 275   and name HD1%  ))
   (( segid "   B" and resid  38    and name HA ))
     2.800    1.000    0.700 peak   72 spectrum    5
OR {     72}
   (( segid "   A" and resid 275   and name HD1%  ))
   (( segid "   B" and resid  35    and name HA ))
OR {     72}
   (( segid "   A" and resid 275   and name HD1%  ))
   (( segid "   B" and resid  39    and name HA ))
ASSI {    73}
   (( segid "   A" and resid 275   and name HD1%  ))
   (( segid "   B" and resid  42    and name HB% ))
     3.500    1.700    1.500 peak   73 spectrum    5                
 ASSI {    1}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.54677E-03 ppm1      1.513 ppm2      9.543 CV     1
 ASSI {    2}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.64558E-03 ppm1     -0.124 ppm2      9.544 CV     1
 ASSI {    3}
   (( segid "   A" and resid 210  and name HA  ))
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.13621E-02 ppm1      5.728 ppm2      9.533 CV     1
 ASSI {    4}
   (( segid "   A" and resid 256  and name HA  ))
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.71238E-03 ppm1      5.032 ppm2      9.524 CV     1
 ASSI {    5}
   (( segid "   A" and resid 210  and name HB2 ))
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.51629E-03 ppm1      1.875 ppm2      9.539 CV     1
 ASSI {    6}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.52461E-03 ppm1      1.000 ppm2      9.523 CV     1
 OR {    6}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 211  and name HN  ))
 ASSI {    7}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.18820E-02 ppm1      0.958 ppm2      9.537 CV     1
 ASSI {    8}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.76254E-03 ppm1      0.217 ppm2      9.520 CV     1
 ASSI {    9}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      0.741 ppm2      9.536 CV     1
 ASSI {   10}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 160  and name HH  ))
      6.000     4.500     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.48148E-03 ppm1      0.135 ppm2      9.378 CV     1
 ASSI {   11}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 160  and name HH  ))
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.46970E-03 ppm1      0.531 ppm2      9.384 CV     1
 OR {   11}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 160  and name HH  ))
 ASSI {   12}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 160  and name HH  ))
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.60818E-03 ppm1      0.760 ppm2      9.381 CV     1
 ASSI {   13}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 160  and name HH  ))
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.50375E-03 ppm1      0.882 ppm2      9.353 CV     1
 ASSI {   14}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 160  and name HH  ))
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.57942E-03 ppm1      1.348 ppm2      9.348 CV     1
 ASSI {   15}
   (( segid "   A" and resid 279  and name HA  ))
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.58504E-03 ppm1      4.828 ppm2      9.244 CV     1
 ASSI {   16}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.59618E-03 ppm1      1.052 ppm2      9.252 CV     1
 ASSI {   17}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.67401E-03 ppm1      0.866 ppm2      9.255 CV     1
 ASSI {   18}
   (( segid "   A" and resid 212  and name HA  ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.56839E-03 ppm1      4.709 ppm2      9.172 CV     1
 ASSI {   19}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.85735E-03 ppm1      0.341 ppm2      9.158 CV     1
 ASSI {   20}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.89626E-03 ppm1      1.515 ppm2      9.166 CV     1
 ASSI {   21}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.21674E-02 ppm1      0.961 ppm2      9.162 CV     1
 ASSI {   22}
   (( segid "   A" and resid 211  and name HA  ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      5.077 ppm2      9.157 CV     1
 ASSI {   23}
   (( segid "   A" and resid 284  and name HA  ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.87410E-03 ppm1      4.412 ppm2      9.153 CV     1
 ASSI {   24}
   (( segid "   A" and resid 211  and name HB  ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.71336E-03 ppm1      1.986 ppm2      9.153 CV     1
 ASSI {   26}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.19069E-02 ppm1      0.994 ppm2      9.153 CV     1
 OR {   26}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 212  and name HN  ))
 ASSI {   27}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      0.739 ppm2      9.155 CV     1
 ASSI {   28}
   (( segid "   A" and resid 114  and name HA  ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.86848E-03 ppm1      4.721 ppm2      9.086 CV     1
 ASSI {   29}
   (( segid "   A" and resid 113  and name HA  ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.16139E-02 ppm1      5.360 ppm2      9.086 CV     1
 ASSI {   30}
   (( segid "   A" and resid 114  and name HB  ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.99074E-03 ppm1      2.098 ppm2      9.079 CV     1
 ASSI {   31}
   (( segid "   A" and resid 113  and name HB1 ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.59055E-03 ppm1      1.805 ppm2      9.083 CV     1
 ASSI {   32}
   (( segid "   A" and resid 113  and name HB2 ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.69768E-03 ppm1      1.734 ppm2      9.090 CV     1
 ASSI {   33}
   (( segid "   A" and resid 113  and name HG2 ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.69076E-03 ppm1      1.733 ppm2      9.084 CV     1
 ASSI {   34}
   (( segid "   A" and resid 113  and name HG1 ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.45089E-03 ppm1      1.387 ppm2      9.084 CV     1
 ASSI {   35}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.20561E-02 ppm1      0.920 ppm2      9.083 CV     1
 ASSI {   36}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.58288E-03 ppm1      0.135 ppm2      9.088 CV     1
 ASSI {   37}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.39911E-02 ppm1      0.886 ppm2      9.082 CV     1
 ASSI {   38}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.63866E-03 ppm1      5.012 ppm2      9.065 CV     1
 ASSI {   40}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.63282E-03 ppm1      1.454 ppm2      9.057 CV     1
 ASSI {   41}
   (( segid "   A" and resid 283  and name HA1 ))
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.67995E-03 ppm1      4.574 ppm2      9.035 CV     1
 ASSI {   42}
   (( segid "   A" and resid 283  and name HA2 ))
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.59055E-03 ppm1      4.015 ppm2      9.024 CV     1
 ASSI {   43}
   (( segid "   A" and resid 282  and name HA  ))
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.18928E-02 ppm1      5.379 ppm2      9.006 CV     1
 ASSI {   44}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      1.014 ppm2      9.010 CV     1
 ASSI {   45}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.19674E-02 ppm1      0.897 ppm2      9.009 CV     1
 ASSI {   46}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.46354E-02 ppm1      0.996 ppm2      9.009 CV     1
 OR {   46}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 283  and name HN  ))
 ASSI {   47}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.74190E-03 ppm1      5.115 ppm2      8.951 CV     1
 ASSI {   48}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.10394E-02 ppm1      5.012 ppm2      8.941 CV     1
 ASSI {   49}
   (( segid "   A" and resid 160  and name HB1 ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.50094E-03 ppm1      3.118 ppm2      8.949 CV     1
 ASSI {   50}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.79692E-03 ppm1      2.020 ppm2      8.940 CV     1
 OR {   50}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 160  and name HN  ))
 ASSI {   51}
   (( segid "   A" and resid 112  and name HB2 ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.59964E-03 ppm1      3.050 ppm2      8.945 CV     1
 ASSI {   52}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.47110E-03 ppm1      0.772 ppm2      8.944 CV     1
 ASSI {   53}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.93378E-03 ppm1      1.457 ppm2      8.940 CV     1
 ASSI {   54}
   (( segid "   A" and resid 229  and name HA  ))
   (( segid "   A" and resid 230  and name HN  ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.45024E-03 ppm1      4.169 ppm2      8.923 CV     1
 OR {   54}
   (( segid "   A" and resid 112  and name HA  ))
   (( segid "   A" and resid 160  and name HN  ))
 ASSI {   55}
   (( segid "   A" and resid 213  and name HA  ))
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.22539E-02 ppm1      4.586 ppm2      8.924 CV     1
 ASSI {   56}
   (( segid "   A" and resid 113  and name HA  ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.63282E-03 ppm1      5.355 ppm2      8.933 CV     1
 ASSI {   57}
   (( segid "   A" and resid 214  and name HA  ))
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.70449E-03 ppm1      5.103 ppm2      8.931 CV     1
 ASSI {   58}
   (( segid "   A" and resid 213  and name HB  ))
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      1.218 ppm2      8.925 CV     1
 ASSI {   59}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.82935E-03 ppm1      0.874 ppm2      8.934 CV     1
 ASSI {   60}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.45078E-02 ppm1      1.272 ppm2      8.924 CV     1
 ASSI {   61}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.37079E-02 ppm1      0.341 ppm2      8.925 CV     1
 ASSI {   62}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.39738E-02 ppm1      0.405 ppm2      8.924 CV     1
 ASSI {   63}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.78016E-03 ppm1      0.651 ppm2      8.931 CV     1
 OR {   63}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 214  and name HN  ))
 ASSI {   64}
   (( segid "   A" and resid 157  and name HA  ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.21901E-02 ppm1      5.447 ppm2      8.892 CV     1
 ASSI {   65}
   (( segid "   A" and resid 114  and name HB  ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      2.104 ppm2      8.892 CV     1
 ASSI {   66}
   (( segid "   A" and resid 158  and name HB  ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.10394E-02 ppm1      1.431 ppm2      8.891 CV     1
 ASSI {   67}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13545E-02 ppm1      0.921 ppm2      8.903 CV     1
 OR {   67}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 129  and name HN  ))
 ASSI {   68}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.87962E-03 ppm1      0.291 ppm2      8.884 CV     1
 ASSI {   69}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.18431E-02 ppm1      0.131 ppm2      8.892 CV     1
 ASSI {   70}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.29674E-02 ppm1      0.885 ppm2      8.895 CV     1
 ASSI {   71}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.28063E-02 ppm1      0.030 ppm2      8.887 CV     1
 ASSI {   72}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.72125E-03 ppm1      0.537 ppm2      8.884 CV     1
 ASSI {   73}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.47175E-03 ppm1      0.751 ppm2      8.903 CV     1
 OR {   73}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 129  and name HN  ))
 OR {   73}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 142  and name HN  ))
 ASSI {   74}
   (( segid "   A" and resid 158  and name HA  ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.51834E-03 ppm1      4.099 ppm2      8.877 CV     1
 ASSI {   75}
   (( segid "   A" and resid 256  and name HA  ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.74190E-03 ppm1      5.025 ppm2      8.845 CV     1
 ASSI {   76}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.13621E-02 ppm1      0.574 ppm2      8.837 CV     1
 ASSI {   77}
   (( segid "   A" and resid 255  and name HA  ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.16021E-02 ppm1      4.551 ppm2      8.827 CV     1
 ASSI {   78}
   (( segid "   A" and resid 238  and name HA  ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.83616E-03 ppm1      4.776 ppm2      8.816 CV     1
 ASSI {   79}
   (( segid "   A" and resid 256  and name HB1 ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.62104E-03 ppm1      2.166 ppm2      8.813 CV     1
 ASSI {   80}
   (( segid "   A" and resid 256  and name HB2 ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.65044E-03 ppm1      1.767 ppm2      8.818 CV     1
 ASSI {   81}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.33176E-02 ppm1      0.219 ppm2      8.819 CV     1
 ASSI {   82}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.54537E-03 ppm1      0.677 ppm2      8.818 CV     1
 ASSI {   83}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      5.730 ppm2      8.775 CV     1
 ASSI {   84}
   (( segid "   A" and resid 254  and name HB2 ))
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.42743E-03 ppm1      2.749 ppm2      8.784 CV     1
 ASSI {   85}
   (( segid "   A" and resid 255  and name HB  ))
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.50861E-03 ppm1      1.229 ppm2      8.780 CV     1
 ASSI {   86}
   (( segid "   A" and resid 213  and name HB  ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.73011E-03 ppm1      1.215 ppm2      8.779 CV     1
 OR {   86}
   (( segid "   A" and resid 213  and name HB  ))
   (( segid "   A" and resid 255  and name HN  ))
 ASSI {   87}
   (( segid "   A" and resid 255  and name HG11))
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.57877E-03 ppm1      1.065 ppm2      8.778 CV     1
 ASSI {   88}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.64558E-03 ppm1      0.781 ppm2      8.774 CV     1
 OR {   88}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 138  and name HN  ))
 ASSI {   89}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.14518E-02 ppm1     -0.126 ppm2      8.788 CV     1
 ASSI {   90}
   (( segid "   A" and resid 212  and name HA  ))
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.58915E-03 ppm1      4.708 ppm2      8.752 CV     1
 OR {   90}
   (( segid "   A" and resid 212  and name HA  ))
   (( segid "   A" and resid 253  and name HN  ))
 ASSI {   91}
   (( segid "   A" and resid 252  and name HA  ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      5.612 ppm2      8.764 CV     1
 ASSI {   92}
   (( segid "   A" and resid 214  and name HA  ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.79487E-03 ppm1      5.099 ppm2      8.762 CV     1
 ASSI {   94}
   (( segid "   A" and resid 252  and name HB1 ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.45024E-03 ppm1      2.744 ppm2      8.755 CV     1
 ASSI {   95}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.13934E-02 ppm1      1.274 ppm2      8.766 CV     1
 ASSI {   96}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.16075E-02 ppm1      0.083 ppm2      8.764 CV     1
 ASSI {   97}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.24842E-02 ppm1      0.341 ppm2      8.770 CV     1
 ASSI {   98}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.25977E-02 ppm1      0.404 ppm2      8.767 CV     1
 ASSI {   99}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.69768E-03 ppm1      0.959 ppm2      8.769 CV     1
 ASSI {  100}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 257  and name HH  ))
      6.000     4.500     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.87270E-03 ppm1      0.736 ppm2      8.773 CV     1
 ASSI {  101}
   (( segid "   A" and resid 271  and name HA  ))
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.66817E-03 ppm1      4.465 ppm2      8.694 CV     1
 ASSI {  102}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.65833E-03 ppm1      0.893 ppm2      8.699 CV     1
 ASSI {  103}
   (( segid "   A" and resid 281  and name HA  ))
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.61315E-03 ppm1      5.277 ppm2      8.673 CV     1
 ASSI {  104}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.13696E-02 ppm1      0.975 ppm2      8.690 CV     1
 ASSI {  105}
   (( segid "   A" and resid 158  and name HA  ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.19091E-02 ppm1      4.088 ppm2      8.649 CV     1
 ASSI {  106}
   (( segid "   A" and resid 141  and name HA  ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      4.565 ppm2      8.643 CV     1
 ASSI {  107}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.57877E-03 ppm1      2.001 ppm2      8.642 CV     1
 OR {  107}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 159  and name HN  ))
 ASSI {  108}
   (( segid "   A" and resid 159  and name HB2 ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.71725E-03 ppm1      2.038 ppm2      8.650 CV     1
 ASSI {  109}
   (( segid "   A" and resid 159  and name HB1 ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.57596E-03 ppm1      1.673 ppm2      8.645 CV     1
 ASSI {  110}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.29166E-02 ppm1      0.131 ppm2      8.643 CV     1
 ASSI {  111}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.56969E-03 ppm1      0.886 ppm2      8.648 CV     1
 ASSI {  112}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.16885E-02 ppm1      0.031 ppm2      8.645 CV     1
 ASSI {  113}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      0.533 ppm2      8.647 CV     1
 ASSI {  114}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 133  and name HN  ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.25036E-02 ppm1      1.608 ppm2      8.638 CV     1
 ASSI {  115}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 133  and name HN  ))
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12183E-02 ppm1      0.759 ppm2      8.644 CV     1
 OR {  115}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 159  and name HN  ))
 OR {  115}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 159  and name HN  ))
 ASSI {  116}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.71628E-03 ppm1      0.596 ppm2      8.634 CV     1
 ASSI {  117}
   (( segid "   A" and resid 225  and name HB  ))
   (( segid "   A" and resid 226  and name HN  ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.62980E-03 ppm1      1.832 ppm2      8.388 CV     1
 ASSI {  118}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 226  and name HN  ))
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.48840E-03 ppm1      2.840 ppm2      8.349 CV     1
 OR {  118}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 226  and name HN  ))
 OR {  118}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 229  and name HN  ))
 ASSI {  119}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.58223E-03 ppm1      0.714 ppm2      8.363 CV     1
 ASSI {  120}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.10311E-02 ppm1      0.288 ppm2      8.357 CV     1
 ASSI {  121}
   (( segid "   A" and resid 229  and name HA  ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.14172E-02 ppm1      4.166 ppm2      8.319 CV     1
 ASSI {  122}
   (( segid "   A" and resid 229  and name HB1 ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.71141E-03 ppm1      3.463 ppm2      8.315 CV     1
 ASSI {  123}
   (( segid "   A" and resid 229  and name HB2 ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.39695E-03 ppm1      2.798 ppm2      8.322 CV     1
 ASSI {  124}
   (( segid "   A" and resid 228  and name HB  ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10158E-02 ppm1      2.074 ppm2      8.321 CV     1
 ASSI {  125}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.21923E-02 ppm1      0.983 ppm2      8.319 CV     1
 ASSI {  126}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.17015E-02 ppm1      0.473 ppm2      8.320 CV     1
 ASSI {  127}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.58569E-03 ppm1      1.246 ppm2      8.320 CV     1
 ASSI {  128}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.19285E-02 ppm1      0.615 ppm2      8.326 CV     1
 ASSI {  129}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.59964E-03 ppm1      0.216 ppm2      8.323 CV     1
 ASSI {  130}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.47175E-03 ppm1      0.735 ppm2      8.313 CV     1
 OR {  130}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 229  and name HN  ))
 ASSI {  131}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.51553E-03 ppm1      0.183 ppm2      8.314 CV     1
 ASSI {  132}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.14442E-02 ppm1      0.678 ppm2      8.319 CV     1
 ASSI {  133}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.14464E-02 ppm1     -0.127 ppm2      8.321 CV     1
 ASSI {  134}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.46548E-03 ppm1      0.634 ppm2      8.312 CV     1
 ASSI {  135}
   (( segid "   A" and resid 216  and name HA  ))
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.47521E-03 ppm1      3.440 ppm2      8.101 CV     1
 ASSI {  136}
   (( segid "   A" and resid 215  and name HA  ))
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.90599E-03 ppm1      3.845 ppm2      8.099 CV     1
 ASSI {  137}
   (( segid "   A" and resid 131  and name HA  ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.67606E-03 ppm1      4.196 ppm2      8.094 CV     1
 ASSI {  138}
   (( segid "   A" and resid 132  and name HB2 ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.49889E-03 ppm1      3.519 ppm2      8.094 CV     1
 ASSI {  139}
   (( segid "   A" and resid 216  and name HB  ))
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.42938E-03 ppm1      1.295 ppm2      8.102 CV     1
 ASSI {  140}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      0.672 ppm2      8.107 CV     1
 ASSI {  141}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.23404E-02 ppm1      0.374 ppm2      8.097 CV     1
 ASSI {  142}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.64169E-03 ppm1      0.130 ppm2      8.093 CV     1
 ASSI {  143}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      0.759 ppm2      8.093 CV     1
 ASSI {  144}
   (( segid "   A" and resid 132  and name HA  ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.91161E-03 ppm1      4.748 ppm2      8.076 CV     1
 ASSI {  145}
   (( segid "   A" and resid 132  and name HB1 ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.74676E-03 ppm1      2.847 ppm2      8.083 CV     1
 ASSI {  146}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.56623E-03 ppm1      0.032 ppm2      8.086 CV     1
 ASSI {  147}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.31014E-02 ppm1      1.445 ppm2      8.087 CV     1
 ASSI {  148}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.11599E-02 ppm1      0.536 ppm2      8.077 CV     1
 ASSI {  149}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      1.606 ppm2      8.079 CV     1
 ASSI {  150}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 173  and name HN  ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.93940E-03 ppm1      1.387 ppm2      8.080 CV     1
 OR {  150}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 132  and name HN  ))
 ASSI {  151}
   (( segid "   A" and resid 170  and name HA  ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.14507E-02 ppm1      3.739 ppm2      7.989 CV     1
 ASSI {  152}
   (( segid "   A" and resid 170  and name HB2 ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.25350E-02 ppm1      1.774 ppm2      7.994 CV     1
 ASSI {  153}
   (( segid "   A" and resid 170  and name HB1 ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.22766E-02 ppm1      1.581 ppm2      7.998 CV     1
 ASSI {  154}
   (( segid "   A" and resid 170  and name HG  ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.29630E-02 ppm1      1.704 ppm2      7.995 CV     1
 ASSI {  155}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.30657E-02 ppm1      0.785 ppm2      7.990 CV     1
 ASSI {  156}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.25079E-02 ppm1      0.920 ppm2      7.984 CV     1
 ASSI {  157}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.57596E-03 ppm1      2.396 ppm2      7.975 CV     1
 OR {  157}
   (( segid "   A" and resid 169  and name HA  ))
   (  segid "   A" and resid 132  and name HD% )
 ASSI {  158}
   (( segid "   A" and resid 132  and name HB2 ))
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.54396E-03 ppm1      3.530 ppm2      7.961 CV     1
 ASSI {  159}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.37576E-02 ppm1      0.805 ppm2      7.980 CV     1
 ASSI {  160}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.29793E-02 ppm1      0.989 ppm2      7.970 CV     1
 OR {  160}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 184  and name HN  ))
 ASSI {  161}
   (  segid "   A" and resid 116  and name HG1%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.76741E-03 ppm1      0.294 ppm2      7.956 CV     1
 ASSI {  162}
   (  segid "   A" and resid 114  and name HG1%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.20896E-02 ppm1      0.885 ppm2      7.964 CV     1
 ASSI {  163}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.53921E-02 ppm1      1.344 ppm2      7.973 CV     1
 ASSI {  164}
   (  segid "   A" and resid 133  and name HB% )
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.82146E-03 ppm1      1.607 ppm2      7.974 CV     1
 ASSI {  165}
   (  segid "   A" and resid 138  and name HD1%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.14518E-02 ppm1      0.760 ppm2      7.956 CV     1
 OR {  165}
   (  segid "   A" and resid 141  and name HD1%)
   (  segid "   A" and resid 132  and name HD% )
 ASSI {  166}
   (( segid "   A" and resid 128  and name HA  ))
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.84016E-03 ppm1      3.719 ppm2      7.949 CV     1
 OR {  166}
   (( segid "   A" and resid 128  and name HA  ))
   (( segid "   A" and resid 130  and name HN  ))
 ASSI {  167}
   (( segid "   A" and resid 132  and name HA  ))
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      4.734 ppm2      7.949 CV     1
 ASSI {  168}
   (( segid "   A" and resid 132  and name HB1 ))
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.52105E-03 ppm1      2.840 ppm2      7.947 CV     1
 ASSI {  169}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.72514E-03 ppm1      0.716 ppm2      7.946 CV     1
 OR {  169}
   (  segid "   A" and resid 116  and name HG2%)
   (  segid "   A" and resid 132  and name HD% )
 ASSI {  170}
   (  segid "   A" and resid 158  and name HG1%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.16464E-02 ppm1      0.130 ppm2      7.948 CV     1
 ASSI {  171}
   (  segid "   A" and resid 158  and name HG2%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.12086E-02 ppm1      0.031 ppm2      7.946 CV     1
 ASSI {  172}
   (  segid "   A" and resid 131  and name HB% )
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.47964E-02 ppm1      1.445 ppm2      7.952 CV     1
 ASSI {  173}
   (  segid "   A" and resid 128  and name HG2%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.38019E-02 ppm1      0.535 ppm2      7.950 CV     1
 ASSI {  174}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.18983E-02 ppm1      1.387 ppm2      7.952 CV     1
 ASSI {  175}
   (  segid "   A" and resid 183  and name HD1%)
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.61899E-03 ppm1      0.872 ppm2      7.948 CV     1
 ASSI {  176}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      0.483 ppm2      7.943 CV     1
 OR {  176}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 130  and name HN  ))
 ASSI {  177}
   (( segid "   A" and resid 239  and name HB  ))
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.72611E-03 ppm1      3.922 ppm2      7.802 CV     1
 ASSI {  178}
   (( segid "   A" and resid 240  and name HA  ))
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.64255E-03 ppm1      4.572 ppm2      7.796 CV     1
 ASSI {  179}
   (( segid "   A" and resid 254  and name HB1 ))
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.48494E-03 ppm1      2.750 ppm2      7.792 CV     1
 ASSI {  180}
   (  segid "   A" and resid 239  and name HG2%)
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.95183E-03 ppm1      1.166 ppm2      7.800 CV     1
 ASSI {  181}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.14756E-02 ppm1      0.082 ppm2      7.802 CV     1
 ASSI {  182}
   (( segid "   A" and resid 215  and name HB1 ))
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.74579E-03 ppm1      4.441 ppm2      7.772 CV     1
 ASSI {  183}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.66720E-03 ppm1      5.736 ppm2      7.786 CV     1
 ASSI {  184}
   (( segid "   A" and resid 280  and name HA  ))
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.10714E-02 ppm1      4.481 ppm2      7.779 CV     1
 ASSI {  185}
   (( segid "   A" and resid 219  and name HB2 ))
   (( segid "   A" and resid 217  and name HE1 ))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.57185E-03 ppm1      2.872 ppm2      7.777 CV     1
 ASSI {  186}
   (( segid "   A" and resid 219  and name HB1 ))
   (( segid "   A" and resid 217  and name HE1 ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.73595E-03 ppm1      2.728 ppm2      7.765 CV     1
 ASSI {  187}
   (( segid "   A" and resid 218  and name HG1 ))
   (( segid "   A" and resid 217  and name HE1 ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.10574E-02 ppm1      2.208 ppm2      7.769 CV     1
 ASSI {  188}
   (( segid "   A" and resid 218  and name HG2 ))
   (( segid "   A" and resid 217  and name HE1 ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      2.104 ppm2      7.769 CV     1
 ASSI {  189}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.24485E-02 ppm1      0.870 ppm2      7.773 CV     1
 ASSI {  190}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 270  and name HN  ))
      6.000     4.500     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.63866E-03 ppm1      0.698 ppm2      7.775 CV     1
 ASSI {  191}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.15253E-02 ppm1      0.404 ppm2      7.763 CV     1
 ASSI {  192}
   (( segid "   A" and resid 215  and name HB2 ))
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.88935E-03 ppm1      4.191 ppm2      7.745 CV     1
 ASSI {  193}
   (( segid "   A" and resid 281  and name HA  ))
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.46689E-03 ppm1      5.271 ppm2      7.754 CV     1
 ASSI {  194}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.17977E-02 ppm1      1.271 ppm2      7.737 CV     1
 ASSI {  195}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 136  and name HN  ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.58083E-03 ppm1      3.876 ppm2      7.733 CV     1
 ASSI {  196}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.12475E-02 ppm1      2.396 ppm2      7.708 CV     1
 ASSI {  197}
   (( segid "   A" and resid 165  and name HA  ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.85735E-03 ppm1      3.631 ppm2      7.725 CV     1
 OR {  197}
   (( segid "   A" and resid 166  and name HA  ))
   (( segid "   A" and resid 169  and name HN  ))
 ASSI {  198}
   (( segid "   A" and resid 168  and name HB1 ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.66817E-03 ppm1      1.521 ppm2      7.710 CV     1
 ASSI {  199}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.13859E-02 ppm1      1.015 ppm2      7.719 CV     1
 ASSI {  200}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.78806E-03 ppm1      0.808 ppm2      7.711 CV     1
 OR {  200}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 169  and name HN  ))
 ASSI {  201}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.17512E-02 ppm1      0.895 ppm2      7.717 CV     1
 ASSI {  202}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.11351E-02 ppm1      0.920 ppm2      7.714 CV     1
 ASSI {  203}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 136  and name HN  ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      0.646 ppm2      7.713 CV     1
 ASSI {  204}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.96858E-03 ppm1      1.463 ppm2      7.709 CV     1
 ASSI {  205}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.68093E-03 ppm1      1.611 ppm2      7.723 CV     1
 ASSI {  206}
   (( segid "   A" and resid 225  and name HA  ))
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.48710E-03 ppm1      3.823 ppm2      7.692 CV     1
 ASSI {  207}
   (( segid "   A" and resid 168  and name HA  ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.65444E-03 ppm1      4.017 ppm2      7.702 CV     1
 ASSI {  208}
   (( segid "   A" and resid 136  and name HA2 ))
   (( segid "   A" and resid 136  and name HN  ))
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.43143E-03 ppm1      4.083 ppm2      7.706 CV     1
 ASSI {  209}
   (( segid "   A" and resid 136  and name HA1 ))
   (( segid "   A" and resid 136  and name HN  ))
      6.000     4.500     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.50159E-03 ppm1      3.928 ppm2      7.699 CV     1
 ASSI {  210}
   (( segid "   A" and resid 168  and name HB2 ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.79584E-03 ppm1      1.868 ppm2      7.704 CV     1
 ASSI {  212}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.55261E-02 ppm1      1.345 ppm2      7.707 CV     1
 ASSI {  213}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.13545E-02 ppm1      4.171 ppm2      7.671 CV     1
 ASSI {  214}
   (( segid "   A" and resid 229  and name HB2 ))
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.50580E-03 ppm1      2.832 ppm2      7.659 CV     1
 ASSI {  215}
   (( segid "   A" and resid 228  and name HB  ))
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.81259E-03 ppm1      2.066 ppm2      7.668 CV     1
 ASSI {  216}
   (( segid "   A" and resid 225  and name HG11))
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.11934E-02 ppm1      1.046 ppm2      7.675 CV     1
 ASSI {  217}
   (  segid "   A" and resid 228  and name HG1%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.30030E-02 ppm1      0.983 ppm2      7.668 CV     1
 OR {  217}
   (  segid "   A" and resid 282  and name HG1%)
   (  segid "   A" and resid 229  and name HD% )
 ASSI {  218}
   (  segid "   A" and resid 228  and name HG2%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.14107E-02 ppm1      0.474 ppm2      7.666 CV     1
 ASSI {  219}
   (  segid "   A" and resid 240  and name HD2%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.52461E-03 ppm1      0.086 ppm2      7.677 CV     1
 ASSI {  220}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.32938E-02 ppm1      1.249 ppm2      7.666 CV     1
 ASSI {  221}
   (  segid "   A" and resid 211  and name HG2%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.60623E-03 ppm1      0.956 ppm2      7.662 CV     1
 OR {  221}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 213  and name HN  ))
 ASSI {  222}
   (  segid "   A" and resid 225  and name HG2%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.47748E-02 ppm1      0.614 ppm2      7.667 CV     1
 ASSI {  223}
   (  segid "   A" and resid 255  and name HG2%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.73595E-03 ppm1      0.216 ppm2      7.663 CV     1
 ASSI {  224}
   (  segid "   A" and resid 211  and name HD1%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.22258E-02 ppm1      0.737 ppm2      7.665 CV     1
 ASSI {  225}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.15664E-02 ppm1      0.184 ppm2      7.668 CV     1
 ASSI {  226}
   (  segid "   A" and resid 235  and name HD1%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.12659E-02 ppm1      0.677 ppm2      7.665 CV     1
 ASSI {  227}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.26928E-02 ppm1     -0.126 ppm2      7.667 CV     1
 ASSI {  228}
   (  segid "   A" and resid 225  and name HD1%)
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.13426E-02 ppm1      0.634 ppm2      7.667 CV     1
 ASSI {  229}
   (( segid "   A" and resid 213  and name HA  ))
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.60526E-03 ppm1      4.595 ppm2      7.639 CV     1
 ASSI {  230}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.48429E-03 ppm1      5.742 ppm2      7.630 CV     1
 ASSI {  231}
   (( segid "   A" and resid 212  and name HA  ))
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.21404E-02 ppm1      4.716 ppm2      7.638 CV     1
 ASSI {  233}
   (( segid "   A" and resid 213  and name HB  ))
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      1.220 ppm2      7.635 CV     1
 ASSI {  234}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.44797E-02 ppm1      0.341 ppm2      7.642 CV     1
 ASSI {  235}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.48970E-02 ppm1      0.405 ppm2      7.640 CV     1
 ASSI {  236}
   (( segid "   A" and resid 167  and name HA  ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.60720E-03 ppm1      3.709 ppm2      7.462 CV     1
 ASSI {  237}
   (( segid "   A" and resid 168  and name HA  ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.11567E-02 ppm1      4.015 ppm2      7.457 CV     1
 ASSI {  238}
   (( segid "   A" and resid 168  and name HB2 ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.11848E-02 ppm1      1.868 ppm2      7.447 CV     1
 ASSI {  239}
   (( segid "   A" and resid 168  and name HB1 ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.83908E-03 ppm1      1.525 ppm2      7.455 CV     1
 ASSI {  240}
   (( segid "   A" and resid 168  and name HG  ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.12280E-02 ppm1      1.906 ppm2      7.448 CV     1
 ASSI {  241}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.24042E-02 ppm1      1.014 ppm2      7.450 CV     1
 ASSI {  242}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.68785E-03 ppm1      0.782 ppm2      7.440 CV     1
 OR {  242}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 113  and name HN  ))
 ASSI {  243}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.35965E-02 ppm1      0.896 ppm2      7.447 CV     1
 ASSI {  244}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 167  and name HN  ))
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.67995E-03 ppm1      0.782 ppm2      7.436 CV     1
 OR {  244}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 168  and name HN  ))
 ASSI {  245}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      1.345 ppm2      7.435 CV     1
 OR {  245}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 167  and name HN  ))
 ASSI {  246}
   (( segid "   A" and resid 218  and name HA  ))
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.23988E-02 ppm1      3.631 ppm2      7.420 CV     1
 ASSI {  247}
   (( segid "   A" and resid 150  and name HA  ))
   (( segid "   A" and resid 145  and name HZ2 ))
      6.000     4.500     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.54894E-03 ppm1      3.887 ppm2      7.429 CV     1
 ASSI {  248}
   (( segid "   A" and resid 216  and name HB  ))
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.70352E-03 ppm1      1.291 ppm2      7.417 CV     1
 ASSI {  249}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.30701E-02 ppm1      0.671 ppm2      7.415 CV     1
 ASSI {  250}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.13426E-02 ppm1      0.373 ppm2      7.412 CV     1
 ASSI {  251}
   (  segid "   A" and resid 150  and name HE% )
   (( segid "   A" and resid 145  and name HZ2 ))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.28139E-02 ppm1      2.007 ppm2      7.428 CV     1
 ASSI {  254}
   (( segid "   A" and resid 144  and name HB2 ))
   (  segid "   A" and resid 157  and name HE% )
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.92134E-03 ppm1      3.459 ppm2      7.357 CV     1
 OR {  254}
   (( segid "   A" and resid 144  and name HB2 ))
   (  segid "   A" and resid 155  and name HE% )
 ASSI {  255}
   (( segid "   A" and resid 144  and name HB1 ))
   (  segid "   A" and resid 157  and name HE% )
      6.000     4.500     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.66320E-03 ppm1      3.171 ppm2      7.359 CV     1
 OR {  255}
   (( segid "   A" and resid 144  and name HB1 ))
   (  segid "   A" and resid 155  and name HE% )
 ASSI {  256}
   (( segid "   A" and resid 288  and name HA  ))
   (  segid "   A" and resid 208  and name HE% )
      6.000     4.500     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.75271E-03 ppm1      4.351 ppm2      7.360 CV     1
 ASSI {  257}
   (( segid "   A" and resid 172  and name HA  ))
   (( segid "   A" and resid 176  and name HN  ))
      6.000     4.500     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.26647E-02 ppm1      4.476 ppm2      7.370 CV     1
 OR {  257}
   (( segid "   A" and resid 172  and name HA  ))
   (  segid "   A" and resid 135  and name HE% )
 ASSI {  258}
   (( segid "   A" and resid 224  and name HA  ))
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.88383E-03 ppm1      4.368 ppm2      7.353 CV     1
 ASSI {  259}
   (( segid "   A" and resid 205  and name HA  ))
   (  segid "   A" and resid 208  and name HE% )
      6.000     4.500     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.24874E-02 ppm1      3.857 ppm2      7.371 CV     1
 OR {  259}
   (( segid "   A" and resid 231  and name HA  ))
   (  segid "   A" and resid 232  and name HD% )
 ASSI {  260}
   (( segid "   A" and resid 207  and name HA  ))
   (  segid "   A" and resid 208  and name HE% )
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.51975E-03 ppm1      4.108 ppm2      7.352 CV     1
 ASSI {  261}
   (  segid "   A" and resid 178  and name HD1%)
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.92545E-03 ppm1      0.803 ppm2      7.354 CV     1
 OR {  261}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 269  and name HN  ))
 OR {  261}
   (  segid "   A" and resid 178  and name HD1%)
   (( segid "   A" and resid 176  and name HN  ))
 OR {  261}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 176  and name HN  ))
 OR {  261}
   (  segid "   A" and resid 170  and name HD1%)
   (  segid "   A" and resid 135  and name HE% )
 OR {  261}
   (  segid "   A" and resid 170  and name HD2%)
   (  segid "   A" and resid 135  and name HE% )
 ASSI {  262}
   (  segid "   A" and resid 207  and name HB% )
   (  segid "   A" and resid 208  and name HE% )
      6.000     4.500     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.69703E-02 ppm1      1.146 ppm2      7.368 CV     1
 ASSI {  263}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.13188E-02 ppm1      0.184 ppm2      7.356 CV     1
 ASSI {  264}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.13113E-02 ppm1      4.170 ppm2      7.347 CV     1
 ASSI {  265}
   (( segid "   A" and resid 232  and name HA  ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.18345E-02 ppm1      4.245 ppm2      7.342 CV     1
 ASSI {  266}
   (( segid "   A" and resid 145  and name HA  ))
   (( segid "   A" and resid 145  and name HE3 ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      4.591 ppm2      7.329 CV     1
 ASSI {  267}
   (( segid "   A" and resid 265  and name HA  ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.52180E-03 ppm1      4.230 ppm2      7.339 CV     1
 OR {  267}
   (( segid "   A" and resid 265  and name HA  ))
   (  segid "   A" and resid 232  and name HD% )
 ASSI {  268}
   (( segid "   A" and resid 266  and name HA  ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.84502E-03 ppm1      2.389 ppm2      7.327 CV     1
 OR {  268}
   (( segid "   A" and resid 169  and name HA  ))
   (  segid "   A" and resid 135  and name HE% )
 ASSI {  269}
   (( segid "   A" and resid 224  and name HB1 ))
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.23350E-02 ppm1      2.984 ppm2      7.347 CV     1
 ASSI {  270}
   (( segid "   A" and resid 265  and name HB1 ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.83032E-03 ppm1      2.764 ppm2      7.339 CV     1
 ASSI {  271}
   (( segid "   A" and resid 265  and name HB2 ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.85292E-03 ppm1      2.706 ppm2      7.348 CV     1
 OR {  271}
   (( segid "   A" and resid 265  and name HB2 ))
   (( segid "   A" and resid 269  and name HN  ))
 ASSI {  272}
   (( segid "   A" and resid 232  and name HB1 ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      3.437 ppm2      7.328 CV     1
 ASSI {  273}
   (( segid "   A" and resid 145  and name HB1 ))
   (( segid "   A" and resid 145  and name HE3 ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.83811E-03 ppm1      3.055 ppm2      7.340 CV     1
 ASSI {  274}
   (( segid "   A" and resid 225  and name HG12))
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.11275E-02 ppm1      1.525 ppm2      7.336 CV     1
 ASSI {  275}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.73303E-03 ppm1      0.688 ppm2      7.341 CV     1
 ASSI {  277}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.92967E-03 ppm1      0.703 ppm2      7.351 CV     1
 OR {  277}
   (  segid "   A" and resid 116  and name HG2%)
   (  segid "   A" and resid 157  and name HE% )
 ASSI {  278}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      0.472 ppm2      7.348 CV     1
 OR {  278}
   (  segid "   A" and resid 228  and name HG2%)
   (  segid "   A" and resid 232  and name HD% )
 ASSI {  279}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.75854E-03 ppm1      0.405 ppm2      7.344 CV     1
 OR {  279}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 254  and name HE% )
 OR {  279}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 269  and name HN  ))
 OR {  279}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 232  and name HD% )
 ASSI {  280}
   (  segid "   A" and resid 114  and name HG1%)
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.80081E-03 ppm1      0.887 ppm2      7.350 CV     1
 OR {  280}
   (  segid "   A" and resid 148  and name HG2%)
   (( segid "   A" and resid 145  and name HE3 ))
 ASSI {  281}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.22485E-02 ppm1      1.248 ppm2      7.335 CV     1
 ASSI {  282}
   (  segid "   A" and resid 131  and name HB% )
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      1.452 ppm2      7.351 CV     1
 ASSI {  283}
   (  segid "   A" and resid 231  and name HB% )
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      0.928 ppm2      7.342 CV     1
 ASSI {  284}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.21404E-02 ppm1      0.615 ppm2      7.328 CV     1
 ASSI {  285}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.23177E-02 ppm1      1.385 ppm2      7.336 CV     1
 ASSI {  286}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.51348E-03 ppm1     -0.124 ppm2      7.350 CV     1
 OR {  286}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 254  and name HE% )
 OR {  286}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 232  and name HD% )
 ASSI {  287}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.15837E-02 ppm1      0.635 ppm2      7.331 CV     1
 ASSI {  288}
   (( segid "   A" and resid 225  and name HA  ))
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.66223E-03 ppm1      3.823 ppm2      7.314 CV     1
 ASSI {  289}
   (( segid "   A" and resid 285  and name HA  ))
   (  segid "   A" and resid 254  and name HE% )
      6.000     4.500     0.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.93659E-03 ppm1      4.744 ppm2      7.322 CV     1
 ASSI {  290}
   (( segid "   A" and resid 225  and name HB  ))
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.16896E-02 ppm1      1.824 ppm2      7.318 CV     1
 ASSI {  291}
   (  segid "   A" and resid 162  and name HG1%)
   (  segid "   A" and resid 254  and name HE% )
      6.000     4.500     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.56915E-02 ppm1      1.058 ppm2      7.313 CV     1
 ASSI {  292}
   (  segid "   A" and resid 285  and name HB% )
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.37187E-02 ppm1      1.514 ppm2      7.269 CV     1
 ASSI {  294}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 145  and name HE3 ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.73109E-03 ppm1      1.268 ppm2      7.313 CV     1
 ASSI {  295}
   (( segid "   A" and resid 132  and name HA  ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.13145E-02 ppm1      4.742 ppm2      7.291 CV     1
 ASSI {  296}
   (( segid "   A" and resid 135  and name HA  ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.94913E-03 ppm1      3.874 ppm2      7.273 CV     1
 ASSI {  297}
   (( segid "   A" and resid 165  and name HA  ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.63380E-03 ppm1      3.627 ppm2      7.277 CV     1
 ASSI {  298}
   (( segid "   A" and resid 168  and name HB2 ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.62493E-03 ppm1      1.868 ppm2      7.277 CV     1
 ASSI {  299}
   (( segid "   A" and resid 168  and name HB1 ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.81065E-03 ppm1      1.537 ppm2      7.270 CV     1
 ASSI {  300}
   (  segid "   A" and resid 168  and name HD2%)
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.27555E-02 ppm1      1.012 ppm2      7.278 CV     1
 ASSI {  301}
   (  segid "   A" and resid 168  and name HD1%)
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.29122E-02 ppm1      0.897 ppm2      7.283 CV     1
 ASSI {  302}
   (  segid "   A" and resid 214  and name HB% )
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      1.270 ppm2      7.291 CV     1
 ASSI {  303}
   (  segid "   A" and resid 239  and name HG2%)
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.75952E-03 ppm1      1.172 ppm2      7.280 CV     1
 ASSI {  304}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.18842E-02 ppm1      1.346 ppm2      7.286 CV     1
 ASSI {  305}
   (( segid "   A" and resid 239  and name HB  ))
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.61607E-03 ppm1      3.923 ppm2      7.258 CV     1
 ASSI {  306}
   (( segid "   A" and resid 254  and name HA  ))
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      5.734 ppm2      7.252 CV     1
 ASSI {  308}
   (( segid "   A" and resid 254  and name HB2 ))
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.12107E-02 ppm1      2.763 ppm2      7.253 CV     1
 ASSI {  309}
   (( segid "   A" and resid 254  and name HB2 ))
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.12778E-02 ppm1      2.738 ppm2      7.251 CV     1
 OR {  309}
   (( segid "   A" and resid 254  and name HB1 ))
   (  segid "   A" and resid 254  and name HD% )
 ASSI {  310}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 152  and name HE1 ))
      6.000     4.500     0.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.30971E-02 ppm1      0.691 ppm2      7.269 CV     1
 ASSI {  311}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 152  and name HE1 ))
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.81259E-03 ppm1      0.238 ppm2      7.267 CV     1
 ASSI {  312}
   (( segid "   A" and resid 273  and name HA  ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      4.290 ppm2      7.161 CV     1
 ASSI {  314}
   (( segid "   A" and resid 270  and name HA  ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.90880E-03 ppm1      4.948 ppm2      7.166 CV     1
 ASSI {  315}
   (( segid "   A" and resid 275  and name HA  ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.66623E-03 ppm1      4.770 ppm2      7.162 CV     1
 ASSI {  316}
   (( segid "   A" and resid 142  and name HB1 ))
   (  segid "   A" and resid 157  and name HD% )
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.91021E-03 ppm1      2.818 ppm2      7.174 CV     1
 ASSI {  317}
   (( segid "   A" and resid 142  and name HB2 ))
   (  segid "   A" and resid 157  and name HD% )
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.84016E-03 ppm1      2.608 ppm2      7.179 CV     1
 ASSI {  318}
   (( segid "   A" and resid 157  and name HB2 ))
   (  segid "   A" and resid 157  and name HD% )
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.84892E-03 ppm1      2.735 ppm2      7.174 CV     1
 ASSI {  319}
   (( segid "   A" and resid 273  and name HB2 ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.12064E-02 ppm1      2.964 ppm2      7.175 CV     1
 ASSI {  320}
   (  segid "   A" and resid 280  and name HD1%)
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.21728E-02 ppm1      1.052 ppm2      7.163 CV     1
 ASSI {  321}
   (  segid "   A" and resid 275  and name HD2%)
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.13696E-02 ppm1      0.966 ppm2      7.166 CV     1
 ASSI {  322}
   (  segid "   A" and resid 275  and name HD1%)
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.27317E-02 ppm1      1.044 ppm2      7.177 CV     1
 ASSI {  323}
   (  segid "   A" and resid 280  and name HD2%)
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.11642E-02 ppm1      0.870 ppm2      7.170 CV     1
 ASSI {  324}
   (  segid "   A" and resid 225  and name HG2%)
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.75271E-03 ppm1      0.616 ppm2      7.180 CV     1
 ASSI {  325}
   (  segid "   A" and resid 150  and name HE% )
   (( segid "   A" and resid 145  and name HH2 ))
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.12680E-02 ppm1      2.006 ppm2      7.170 CV     1
 ASSI {  326}
   (( segid "   A" and resid 275  and name HB2 ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.56699E-03 ppm1      2.094 ppm2      7.151 CV     1
 ASSI {  327}
   (( segid "   A" and resid 275  and name HB1 ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.72514E-03 ppm1      1.458 ppm2      7.151 CV     1
 ASSI {  329}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.35079E-02 ppm1      0.184 ppm2      7.154 CV     1
 ASSI {  330}
   (( segid "   A" and resid 144  and name HA  ))
   (( segid "   A" and resid 145  and name HD1 ))
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.71930E-03 ppm1      4.468 ppm2      7.115 CV     1
 ASSI {  331}
   (( segid "   A" and resid 252  and name HA  ))
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.46343E-03 ppm1      5.603 ppm2      7.116 CV     1
 ASSI {  332}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.80178E-03 ppm1      1.275 ppm2      7.131 CV     1
 OR {  332}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 135  and name HZ  ))
 ASSI {  333}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.92826E-03 ppm1      0.377 ppm2      7.122 CV     1
 ASSI {  334}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.11913E-02 ppm1      0.081 ppm2      7.117 CV     1
 ASSI {  335}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.15448E-02 ppm1      0.777 ppm2      7.127 CV     1
 ASSI {  336}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 135  and name HZ  ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.57942E-03 ppm1      1.446 ppm2      7.106 CV     1
 ASSI {  337}
   (( segid "   A" and resid 145  and name HA  ))
   (( segid "   A" and resid 145  and name HD1 ))
      6.000     4.500     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.84211E-03 ppm1      4.593 ppm2      7.101 CV     1
 ASSI {  339}
   (( segid "   A" and resid 122  and name HB1 ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.44602E-03 ppm1      1.564 ppm2      7.097 CV     1
 ASSI {  340}
   (( segid "   A" and resid 122  and name HB2 ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.73011E-03 ppm1      2.147 ppm2      7.086 CV     1
 ASSI {  341}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 135  and name HZ  ))
      6.000     4.500     0.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.14637E-02 ppm1      1.382 ppm2      7.091 CV     1
 ASSI {  342}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      4.177 ppm2      7.052 CV     1
 ASSI {  343}
   (( segid "   A" and resid 120  and name HA  ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.18312E-02 ppm1      4.426 ppm2      7.072 CV     1
 ASSI {  344}
   (( segid "   A" and resid 221  and name HA  ))
   (( segid "   A" and resid 249  and name HD2 ))
      6.000     4.500     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.12183E-02 ppm1      4.764 ppm2      7.053 CV     1
 ASSI {  345}
   (( segid "   A" and resid 266  and name HA  ))
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.10505E-02 ppm1      2.408 ppm2      7.058 CV     1
 ASSI {  346}
   (( segid "   A" and resid 181  and name HD2 ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.14940E-02 ppm1      3.001 ppm2      7.069 CV     1
 OR {  346}
   (( segid "   A" and resid 181  and name HD1 ))
   (  segid "   A" and resid 120  and name HD% )
 ASSI {  347}
   (( segid "   A" and resid 120  and name HB2 ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.75854E-03 ppm1      3.129 ppm2      7.067 CV     1
 ASSI {  348}
   (( segid "   A" and resid 120  and name HB1 ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.11394E-02 ppm1      2.749 ppm2      7.072 CV     1
 ASSI {  349}
   (( segid "   A" and resid 249  and name HB1 ))
   (( segid "   A" and resid 249  and name HD2 ))
      6.000     4.500     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.53845E-03 ppm1      3.273 ppm2      7.065 CV     1
 ASSI {  350}
   (( segid "   A" and resid 123  and name HG  ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.83130E-03 ppm1      1.831 ppm2      7.069 CV     1
 ASSI {  351}
   (( segid "   A" and resid 181  and name HG2 ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.11102E-02 ppm1      1.531 ppm2      7.071 CV     1
 OR {  351}
   (( segid "   A" and resid 181  and name HG1 ))
   (  segid "   A" and resid 120  and name HD% )
 ASSI {  352}
   (  segid "   A" and resid 123  and name HD2%)
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.18150E-02 ppm1      0.948 ppm2      7.075 CV     1
 ASSI {  353}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 249  and name HD2 ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.31209E-02 ppm1     -0.086 ppm2      7.061 CV     1
 ASSI {  354}
   (  segid "   A" and resid 123  and name HD1%)
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.27004E-02 ppm1      0.928 ppm2      7.073 CV     1
 ASSI {  355}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 249  and name HD2 ))
      6.000     4.500     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.59964E-03 ppm1      0.670 ppm2      7.061 CV     1
 OR {  355}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 217  and name HD2 ))
 ASSI {  356}
   (  segid "   A" and resid 119  and name HG2%)
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.69660E-03 ppm1      0.692 ppm2      7.077 CV     1
 ASSI {  357}
   (( segid "   A" and resid 269  and name HB1 ))
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.84211E-03 ppm1      3.692 ppm2      7.040 CV     1
 ASSI {  358}
   (( segid "   A" and resid 269  and name HB2 ))
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10213E-02 ppm1      3.519 ppm2      7.048 CV     1
 ASSI {  359}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 217  and name HD2 ))
      6.000     4.500     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.11599E-02 ppm1      3.886 ppm2      7.025 CV     1
 ASSI {  360}
   (( segid "   A" and resid 232  and name HA  ))
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.88794E-03 ppm1      4.242 ppm2      7.042 CV     1
 ASSI {  361}
   (( segid "   A" and resid 278  and name HG2 ))
   (( segid "   A" and resid 217  and name HD2 ))
      6.000     4.500     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.13145E-02 ppm1      2.325 ppm2      7.026 CV     1
 ASSI {  362}
   (( segid "   A" and resid 278  and name HG1 ))
   (( segid "   A" and resid 217  and name HD2 ))
      6.000     4.500     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.12594E-02 ppm1      2.232 ppm2      7.025 CV     1
 ASSI {  363}
   (( segid "   A" and resid 249  and name HB2 ))
   (( segid "   A" and resid 249  and name HD2 ))
      6.000     4.500     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.44538E-03 ppm1      2.585 ppm2      7.044 CV     1
 ASSI {  364}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 217  and name HD2 ))
      6.000     4.500     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.54753E-03 ppm1      0.694 ppm2      7.045 CV     1
 ASSI {  365}
   (  segid "   A" and resid 231  and name HB% )
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.16312E-02 ppm1      0.928 ppm2      7.049 CV     1
 ASSI {  366}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.34463E-02 ppm1      0.185 ppm2      7.045 CV     1
 ASSI {  367}
   (( segid "   A" and resid 279  and name HA  ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.14972E-02 ppm1      4.806 ppm2      6.972 CV     1
 ASSI {  368}
   (( segid "   A" and resid 274  and name HA  ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.19761E-02 ppm1      4.315 ppm2      6.978 CV     1
 ASSI {  369}
   (( segid "   A" and resid 279  and name HB2 ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.69963E-03 ppm1      2.741 ppm2      6.983 CV     1
 ASSI {  370}
   (( segid "   A" and resid 279  and name HB1 ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.74481E-03 ppm1      2.538 ppm2      6.970 CV     1
 ASSI {  371}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.67206E-03 ppm1     -0.129 ppm2      6.971 CV     1
 ASSI {  372}
   (( segid "   A" and resid 263  and name HB1 ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.14561E-02 ppm1      3.804 ppm2      6.951 CV     1
 ASSI {  373}
   (( segid "   A" and resid 263  and name HB2 ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.14896E-02 ppm1      3.758 ppm2      6.947 CV     1
 ASSI {  374}
   (( segid "   A" and resid 262  and name HA  ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.54396E-03 ppm1      3.997 ppm2      6.962 CV     1
 ASSI {  375}
   (( segid "   A" and resid 257  and name HA  ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      4.851 ppm2      6.955 CV     1
 ASSI {  376}
   (( segid "   A" and resid 272  and name HA  ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.51694E-03 ppm1      3.891 ppm2      6.966 CV     1
 ASSI {  377}
   (( segid "   A" and resid 257  and name HB1 ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.66525E-03 ppm1      2.745 ppm2      6.968 CV     1
 ASSI {  379}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.18701E-02 ppm1      1.249 ppm2      6.959 CV     1
 ASSI {  380}
   (  segid "   A" and resid 211  and name HG2%)
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.21761E-02 ppm1      0.956 ppm2      6.944 CV     1
 ASSI {  381}
   (  segid "   A" and resid 211  and name HD1%)
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.16366E-02 ppm1      0.739 ppm2      6.950 CV     1
 ASSI {  382}
   (  segid "   A" and resid 235  and name HD1%)
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.82827E-03 ppm1      0.676 ppm2      6.950 CV     1
 ASSI {  383}
   (( segid "   A" and resid 235  and name HA  ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.79887E-03 ppm1      4.057 ppm2      6.936 CV     1
 ASSI {  384}
   (( segid "   A" and resid 273  and name HA  ))
   (  segid "   A" and resid 273  and name HE% )
      6.000     4.500     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.86989E-03 ppm1      4.285 ppm2      6.934 CV     1
 ASSI {  385}
   (( segid "   A" and resid 275  and name HB2 ))
   (  segid "   A" and resid 273  and name HE% )
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.47316E-03 ppm1      2.103 ppm2      6.923 CV     1
 OR {  385}
   (( segid "   A" and resid 275  and name HB2 ))
   (( segid "   A" and resid 278  and name HE21))
 ASSI {  386}
   (( segid "   A" and resid 275  and name HB1 ))
   (  segid "   A" and resid 273  and name HE% )
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.50926E-03 ppm1      1.448 ppm2      6.925 CV     1
 OR {  386}
   (( segid "   A" and resid 275  and name HB1 ))
   (( segid "   A" and resid 278  and name HE21))
 ASSI {  387}
   (( segid "   A" and resid 257  and name HB2 ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.61899E-03 ppm1      3.560 ppm2      6.936 CV     1
 ASSI {  388}
   (  segid "   A" and resid 275  and name HD2%)
   (  segid "   A" and resid 273  and name HE% )
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      0.970 ppm2      6.919 CV     1
 ASSI {  389}
   (  segid "   A" and resid 275  and name HD1%)
   (  segid "   A" and resid 273  and name HE% )
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.34517E-02 ppm1      1.043 ppm2      6.919 CV     1
 ASSI {  390}
   (  segid "   A" and resid 255  and name HG2%)
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      0.214 ppm2      6.941 CV     1
 ASSI {  391}
   (  segid "   A" and resid 228  and name HG2%)
   (  segid "   A" and resid 273  and name HE% )
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.17145E-02 ppm1      0.474 ppm2      6.908 CV     1
 ASSI {  392}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 273  and name HE% )
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.32225E-02 ppm1      0.184 ppm2      6.900 CV     1
 ASSI {  393}
   (  segid "   A" and resid 183  and name HD1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.40408E-02 ppm1      0.867 ppm2      6.893 CV     1
 ASSI {  394}
   (  segid "   A" and resid 178  and name HD1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.35911E-02 ppm1      0.815 ppm2      6.871 CV     1
 ASSI {  395}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 229  and name HZ  ))
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.94048E-02 ppm1      0.987 ppm2      6.873 CV     1
 OR {  395}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 132  and name HE% )
 ASSI {  396}
   (  segid "   A" and resid 116  and name HG1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.26452E-02 ppm1      0.289 ppm2      6.886 CV     1
 ASSI {  397}
   (  segid "   A" and resid 158  and name HG2%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.89907E-03 ppm1      0.027 ppm2      6.869 CV     1
 ASSI {  398}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.40689E-02 ppm1      1.386 ppm2      6.875 CV     1
 ASSI {  399}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.13286E-02 ppm1      0.484 ppm2      6.860 CV     1
 ASSI {  400}
   (( segid "   A" and resid 120  and name HA  ))
   (  segid "   A" and resid 120  and name HE% )
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.73887E-03 ppm1      4.428 ppm2      6.848 CV     1
 ASSI {  401}
   (( segid "   A" and resid 181  and name HD2 ))
   (  segid "   A" and resid 120  and name HE% )
      6.000     4.500     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.80276E-03 ppm1      3.001 ppm2      6.838 CV     1
 OR {  401}
   (( segid "   A" and resid 181  and name HD1 ))
   (  segid "   A" and resid 120  and name HE% )
 ASSI {  402}
   (( segid "   A" and resid 122  and name HG2 ))
   (  segid "   A" and resid 120  and name HE% )
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.70849E-03 ppm1      1.720 ppm2      6.834 CV     1
 ASSI {  403}
   (( segid "   A" and resid 122  and name HB2 ))
   (  segid "   A" and resid 120  and name HE% )
      6.000     4.500     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.11545E-02 ppm1      2.152 ppm2      6.838 CV     1
 ASSI {  404}
   (( segid "   A" and resid 122  and name HB1 ))
   (  segid "   A" and resid 120  and name HE% )
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.79692E-03 ppm1      1.529 ppm2      6.840 CV     1
 ASSI {  405}
   (( segid "   A" and resid 225  and name HG11))
   (( segid "   A" and resid 229  and name HZ  ))
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.25631E-02 ppm1      1.049 ppm2      6.838 CV     1
 OR {  405}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 229  and name HZ  ))
 ASSI {  406}
   (  segid "   A" and resid 123  and name HD2%)
   (  segid "   A" and resid 120  and name HE% )
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.95464E-03 ppm1      0.946 ppm2      6.851 CV     1
 OR {  406}
   (  segid "   A" and resid 123  and name HD2%)
   (  segid "   A" and resid 132  and name HE% )
 ASSI {  407}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 172  and name HE22))
      6.000     4.500     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.85875E-03 ppm1      0.893 ppm2      6.852 CV     1
 ASSI {  408}
   (  segid "   A" and resid 123  and name HD1%)
   (  segid "   A" and resid 120  and name HE% )
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.38462E-02 ppm1      0.923 ppm2      6.837 CV     1
 ASSI {  409}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.30344E-02 ppm1      1.344 ppm2      6.857 CV     1
 ASSI {  410}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 152  and name HD2 ))
      6.000     4.500     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.91713E-03 ppm1      0.690 ppm2      6.838 CV     1
 ASSI {  411}
   (  segid "   A" and resid 128  and name HG2%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.21177E-02 ppm1      0.535 ppm2      6.853 CV     1
 ASSI {  412}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 152  and name HD2 ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.24096E-02 ppm1      1.269 ppm2      6.851 CV     1
 ASSI {  413}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 152  and name HD2 ))
      6.000     4.500     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.61509E-03 ppm1      0.241 ppm2      6.856 CV     1
 OR {  413}
   (  segid "   A" and resid 119  and name HD1%)
   (  segid "   A" and resid 132  and name HE% )
 ASSI {  414}
   (( segid "   A" and resid 122  and name HA  ))
   (  segid "   A" and resid 121  and name HD% )
      6.000     4.500     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.75173E-03 ppm1      4.128 ppm2      6.814 CV     1
 ASSI {  415}
   (( segid "   A" and resid 137  and name HD1 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.78708E-03 ppm1      3.473 ppm2      6.806 CV     1
 OR {  415}
   (( segid "   A" and resid 137  and name HD1 ))
   (  segid "   A" and resid 160  and name HD% )
 ASSI {  416}
   (( segid "   A" and resid 122  and name HG1 ))
   (  segid "   A" and resid 121  and name HD% )
      6.000     4.500     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      1.821 ppm2      6.809 CV     1
 ASSI {  417}
   (  segid "   A" and resid 114  and name HG1%)
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.37403E-02 ppm1      0.886 ppm2      6.811 CV     1
 ASSI {  418}
   (( segid "   A" and resid 137  and name HA  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.62396E-03 ppm1      4.650 ppm2      6.795 CV     1
 OR {  418}
   (( segid "   A" and resid 137  and name HA  ))
   (  segid "   A" and resid 252  and name HE% )
 ASSI {  419}
   (( segid "   A" and resid 112  and name HA  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.75660E-03 ppm1      4.150 ppm2      6.790 CV     1
 OR {  419}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 229  and name HE% )
 ASSI {  420}
   (( segid "   A" and resid 138  and name HA  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.85875E-03 ppm1      3.751 ppm2      6.784 CV     1
 ASSI {  421}
   (( segid "   A" and resid 160  and name HA  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.13642E-02 ppm1      5.119 ppm2      6.797 CV     1
 ASSI {  422}
   (( segid "   A" and resid 250  and name HA  ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.87962E-03 ppm1      4.411 ppm2      6.799 CV     1
 OR {  422}
   (( segid "   A" and resid 250  and name HA  ))
   (  segid "   A" and resid 252  and name HD% )
 ASSI {  423}
   (( segid "   A" and resid 252  and name HA  ))
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.68979E-03 ppm1      5.598 ppm2      6.803 CV     1
 ASSI {  425}
   (( segid "   A" and resid 166  and name HA  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.12929E-02 ppm1      3.637 ppm2      6.802 CV     1
 ASSI {  426}
   (( segid "   A" and resid 214  and name HA  ))
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.69563E-03 ppm1      5.105 ppm2      6.805 CV     1
 ASSI {  427}
   (( segid "   A" and resid 137  and name HD2 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.10810E-02 ppm1      3.188 ppm2      6.801 CV     1
 ASSI {  430}
   (( segid "   A" and resid 151  and name HE2 ))
   (  segid "   A" and resid 121  and name HD% )
      6.000     4.500     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.19285E-02 ppm1      2.743 ppm2      6.792 CV     1
 OR {  430}
   (( segid "   A" and resid 151  and name HE1 ))
   (  segid "   A" and resid 121  and name HD% )
 ASSI {  431}
   (( segid "   A" and resid 252  and name HB2 ))
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.21069E-02 ppm1      3.005 ppm2      6.804 CV     1
 ASSI {  433}
   (( segid "   A" and resid 121  and name HB2 ))
   (  segid "   A" and resid 121  and name HD% )
      6.000     4.500     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      2.816 ppm2      6.784 CV     1
 ASSI {  434}
   (( segid "   A" and resid 121  and name HB1 ))
   (  segid "   A" and resid 121  and name HD% )
      6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.12280E-02 ppm1      2.622 ppm2      6.784 CV     1
 ASSI {  435}
   (( segid "   A" and resid 162  and name HB  ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.69963E-03 ppm1      2.197 ppm2      6.802 CV     1
 OR {  435}
   (( segid "   A" and resid 162  and name HB  ))
   (  segid "   A" and resid 252  and name HD% )
 ASSI {  436}
   (( segid "   A" and resid 213  and name HB  ))
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.60623E-03 ppm1      1.223 ppm2      6.789 CV     1
 ASSI {  437}
   (( segid "   A" and resid 250  and name HB1 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.64947E-03 ppm1      1.355 ppm2      6.795 CV     1
 OR {  437}
   (( segid "   A" and resid 250  and name HB1 ))
   (  segid "   A" and resid 252  and name HD% )
 ASSI {  438}
   (( segid "   A" and resid 250  and name HD2 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.17285E-02 ppm1      1.815 ppm2      6.798 CV     1
 ASSI {  439}
   (( segid "   A" and resid 250  and name HD1 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.18118E-02 ppm1      1.735 ppm2      6.797 CV     1
 ASSI {  440}
   (( segid "   A" and resid 137  and name HG1 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.17058E-02 ppm1      2.286 ppm2      6.799 CV     1
 ASSI {  441}
   (( segid "   A" and resid 137  and name HG2 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.17956E-02 ppm1      2.210 ppm2      6.801 CV     1
 ASSI {  442}
   (( segid "   A" and resid 151  and name HD1 ))
   (  segid "   A" and resid 121  and name HE% )
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.55867E-03 ppm1      1.383 ppm2      6.783 CV     1
 OR {  442}
   (( segid "   A" and resid 151  and name HD1 ))
   (  segid "   A" and resid 121  and name HD% )
 ASSI {  443}
   (( segid "   A" and resid 151  and name HD2 ))
   (  segid "   A" and resid 121  and name HE% )
      6.000     4.500     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.63963E-03 ppm1      1.301 ppm2      6.790 CV     1
 OR {  443}
   (( segid "   A" and resid 151  and name HD2 ))
   (  segid "   A" and resid 121  and name HD% )
 ASSI {  445}
   (  segid "   A" and resid 214  and name HB% )
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.21317E-02 ppm1      1.272 ppm2      6.803 CV     1
 ASSI {  446}
   (  segid "   A" and resid 162  and name HG1%)
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.65163E-02 ppm1      1.058 ppm2      6.799 CV     1
 ASSI {  447}
   (  segid "   A" and resid 240  and name HD2%)
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.75660E-03 ppm1      0.085 ppm2      6.803 CV     1
 OR {  447}
   (  segid "   A" and resid 240  and name HD2%)
   (  segid "   A" and resid 252  and name HE% )
 ASSI {  448}
   (  segid "   A" and resid 158  and name HG1%)
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.14950E-02 ppm1      0.130 ppm2      6.797 CV     1
 ASSI {  449}
   (  segid "   A" and resid 165  and name HB% )
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.32819E-02 ppm1      0.647 ppm2      6.795 CV     1
 ASSI {  450}
   (  segid "   A" and resid 241  and name HB% )
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.97475E-02 ppm1      0.778 ppm2      6.800 CV     1
 OR {  450}
   (  segid "   A" and resid 162  and name HG2%)
   (  segid "   A" and resid 252  and name HE% )
 OR {  450}
   (  segid "   A" and resid 241  and name HB% )
   (  segid "   A" and resid 252  and name HD% )
 ASSI {  451}
   (  segid "   A" and resid 166  and name HB% )
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.47305E-02 ppm1      1.459 ppm2      6.798 CV     1
 ASSI {  452}
   (  segid "   A" and resid 133  and name HB% )
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.46894E-03 ppm1      1.613 ppm2      6.800 CV     1
 OR {  452}
   (  segid "   A" and resid 133  and name HB% )
   (  segid "   A" and resid 252  and name HE% )
 OR {  452}
   (  segid "   A" and resid 133  and name HB% )
   (  segid "   A" and resid 160  and name HD% )
 ASSI {  453}
   (  segid "   A" and resid 138  and name HD1%)
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.12680E-02 ppm1      0.759 ppm2      6.801 CV     1
 ASSI {  454}
   (( segid "   A" and resid 279  and name HA  ))
   (  segid "   A" and resid 279  and name HE% )
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.65639E-03 ppm1      4.805 ppm2      6.751 CV     1
 ASSI {  455}
   (( segid "   A" and resid 274  and name HB1 ))
   (  segid "   A" and resid 279  and name HE% )
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.68190E-03 ppm1      2.198 ppm2      6.752 CV     1
 ASSI {  456}
   (  segid "   A" and resid 275  and name HD2%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.81649E-03 ppm1      0.966 ppm2      6.776 CV     1
 OR {  456}
   (  segid "   A" and resid 275  and name HD2%)
   (  segid "   A" and resid 279  and name HE% )
 ASSI {  457}
   (( segid "   A" and resid 225  and name HG11))
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.29479E-02 ppm1      1.050 ppm2      6.766 CV     1
 OR {  457}
   (  segid "   A" and resid 280  and name HD1%)
   (  segid "   A" and resid 229  and name HE% )
 ASSI {  458}
   (  segid "   A" and resid 228  and name HG2%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.96718E-03 ppm1      0.470 ppm2      6.776 CV     1
 ASSI {  459}
   (  segid "   A" and resid 213  and name HG1%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.37684E-02 ppm1      0.341 ppm2      6.773 CV     1
 ASSI {  460}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.38851E-02 ppm1      0.405 ppm2      6.775 CV     1
 ASSI {  461}
   (  segid "   A" and resid 225  and name HG2%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.25977E-02 ppm1      0.614 ppm2      6.757 CV     1
 ASSI {  462}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.30495E-02 ppm1      0.183 ppm2      6.770 CV     1
 ASSI {  463}
   (  segid "   A" and resid 225  and name HD1%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.15761E-02 ppm1      0.634 ppm2      6.763 CV     1
 ASSI {  464}
   (( segid "   A" and resid 274  and name HA  ))
   (  segid "   A" and resid 279  and name HE% )
      6.000     4.500     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      4.308 ppm2      6.749 CV     1
 ASSI {  465}
   (( segid "   A" and resid 274  and name HB2 ))
   (  segid "   A" and resid 279  and name HE% )
      6.000     4.500     0.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.65639E-03 ppm1      2.474 ppm2      6.742 CV     1
 ASSI {  467}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1     -0.125 ppm2      6.739 CV     1
 ASSI {  468}
   (( segid "   A" and resid 263  and name HB2 ))
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.82827E-03 ppm1      3.761 ppm2      6.670 CV     1
 ASSI {  469}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.29479E-02 ppm1      1.248 ppm2      6.677 CV     1
 ASSI {  470}
   (( segid "   A" and resid 230  and name HA  ))
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.88383E-03 ppm1      5.051 ppm2      6.653 CV     1
 ASSI {  471}
   (  segid "   A" and resid 211  and name HG2%)
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.14129E-02 ppm1      0.959 ppm2      6.655 CV     1
 ASSI {  472}
   (  segid "   A" and resid 255  and name HG2%)
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.15253E-02 ppm1      0.220 ppm2      6.647 CV     1
 ASSI {  473}
   (  segid "   A" and resid 211  and name HD1%)
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.32538E-02 ppm1      0.739 ppm2      6.662 CV     1
 ASSI {  474}
   (  segid "   A" and resid 235  and name HD1%)
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.14150E-02 ppm1      0.675 ppm2      6.652 CV     1
 ASSI {  475}
   (  segid "   A" and resid 165  and name HB% )
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.89486E-03 ppm1      0.645 ppm2      6.562 CV     1
 ASSI {  476}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.90329E-03 ppm1      3.870 ppm2      6.533 CV     1
 ASSI {  477}
   (  segid "   A" and resid 168  and name HD1%)
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.18096E-02 ppm1      0.897 ppm2      6.538 CV     1
 ASSI {  478}
   (  segid "   A" and resid 214  and name HB% )
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.25350E-02 ppm1      1.272 ppm2      6.542 CV     1
 ASSI {  479}
   (  segid "   A" and resid 162  and name HG1%)
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.13934E-02 ppm1      1.058 ppm2      6.550 CV     1
 ASSI {  480}
   (  segid "   A" and resid 162  and name HG2%)
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.28971E-02 ppm1      0.778 ppm2      6.553 CV     1
 ASSI {  481}
   (( segid "   A" and resid 135  and name HB1 ))
   (( segid "   A" and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.52245E-03 ppm1      3.453 ppm2      6.511 CV     1
 ASSI {  482}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.23739E-02 ppm1      1.013 ppm2      6.520 CV     1
 OR {  482}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 271  and name HD22))
 OR {  482}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 271  and name HD22))
 ASSI {  483}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.61704E-03 ppm1      1.347 ppm2      6.514 CV     1
 ASSI {  484}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.77627E-03 ppm1      1.609 ppm2      6.523 CV     1
 ASSI {  485}
   (  segid "   A" and resid 168  and name HD2%)
   (  segid "   A" and resid 212  and name HD% )
      6.000     4.500     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.23371E-02 ppm1      1.013 ppm2      6.474 CV     1
 ASSI {  486}
   (  segid "   A" and resid 168  and name HD1%)
   (  segid "   A" and resid 212  and name HD% )
      6.000     4.500     0.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.17199E-02 ppm1      0.897 ppm2      6.465 CV     1
 ASSI {  487}
   (( segid "   A" and resid 155  and name HB1 ))
   (  segid "   A" and resid 115  and name HD% )
      6.000     4.500     0.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.99907E-03 ppm1      2.985 ppm2      6.374 CV     1
 OR {  487}
   (( segid "   A" and resid 184  and name HE2 ))
   (  segid "   A" and resid 115  and name HD% )
 ASSI {  488}
   (( segid "   A" and resid 115  and name HB1 ))
   (  segid "   A" and resid 115  and name HD% )
      6.000     4.500     0.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.74676E-03 ppm1      2.467 ppm2      6.380 CV     1
 ASSI {  489}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 115  and name HD% )
      6.000     4.500     0.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.83519E-03 ppm1      0.985 ppm2      6.387 CV     1
 ASSI {  491}
   (( segid "   A" and resid 162  and name HB  ))
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.62688E-03 ppm1      2.200 ppm2      6.314 CV     1
 ASSI {  493}
   (( segid "   A" and resid 164  and name HA  ))
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.57391E-03 ppm1      3.306 ppm2      6.299 CV     1
 ASSI {  494}
   (( segid "   A" and resid 165  and name HA  ))
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.17620E-02 ppm1      3.636 ppm2      6.311 CV     1
 ASSI {  495}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.20539E-02 ppm1      1.013 ppm2      6.311 CV     1
 ASSI {  496}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      0.895 ppm2      6.303 CV     1
 ASSI {  497}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.17869E-02 ppm1      1.272 ppm2      6.305 CV     1
 ASSI {  498}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.39522E-02 ppm1      1.058 ppm2      6.303 CV     1
 ASSI {  499}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.92599E-02 ppm1      0.778 ppm2      6.304 CV     1
 ASSI {  500}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.51251E-02 ppm1      0.647 ppm2      6.303 CV     1
 ASSI {  501}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.21847E-02 ppm1      1.461 ppm2      6.305 CV     1
 ASSI {  502}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.99215E-03 ppm1      1.346 ppm2      6.306 CV     1
 ASSI {  503}
   (( segid "   A" and resid 155  and name HB1 ))
   (  segid "   A" and resid 115  and name HE% )
      6.000     4.500     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.12021E-02 ppm1      2.983 ppm2      6.219 CV     1
 ASSI {  504}
   (( segid "   A" and resid 184  and name HD2 ))
   (  segid "   A" and resid 115  and name HE% )
      6.000     4.500     0.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.98523E-03 ppm1      1.730 ppm2      6.222 CV     1
 OR {  504}
   (( segid "   A" and resid 184  and name HD1 ))
   (  segid "   A" and resid 115  and name HE% )
 ASSI {  508}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.13869E-02 ppm1      1.057 ppm2      5.937 CV     1
 OR {  508}
   (  segid "   A" and resid 287  and name HG2%)
   (( segid "   A" and resid 166  and name HN  ))
 ASSI {  509}
   (( segid "   A" and resid 163  and name HA  ))
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.73206E-03 ppm1      4.137 ppm2      5.926 CV     1
 ASSI {  510}
   (( segid "   A" and resid 165  and name HA  ))
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      3.633 ppm2      5.922 CV     1
 ASSI {  511}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.95323E-03 ppm1      0.918 ppm2      5.919 CV     1
 ASSI {  512}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      0.885 ppm2      5.915 CV     1
 ASSI {  513}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.23371E-02 ppm1      0.778 ppm2      5.927 CV     1
 ASSI {  514}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.29836E-02 ppm1      0.649 ppm2      5.918 CV     1
 ASSI {  515}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.69595E-02 ppm1      1.462 ppm2      5.916 CV     1
 ASSI {  516}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.58083E-03 ppm1      1.348 ppm2      5.916 CV     1
 ASSI {  517}
   (( segid "   A" and resid 210  and name HB1 ))
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.50861E-03 ppm1      1.637 ppm2      5.756 CV     1
 ASSI {  518}
   (( segid "   A" and resid 212  and name HA  ))
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.67498E-03 ppm1      4.721 ppm2      5.721 CV     1
 ASSI {  519}
   (( segid "   A" and resid 256  and name HA  ))
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.11848E-02 ppm1      5.026 ppm2      5.732 CV     1
 ASSI {  520}
   (( segid "   A" and resid 254  and name HB2 ))
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.79692E-03 ppm1      2.751 ppm2      5.724 CV     1
 ASSI {  521}
   (( segid "   A" and resid 254  and name HB1 ))
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.68687E-03 ppm1      2.712 ppm2      5.727 CV     1
 ASSI {  522}
   (( segid "   A" and resid 210  and name HB2 ))
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.60623E-03 ppm1      1.864 ppm2      5.722 CV     1
 ASSI {  523}
   (( segid "   A" and resid 210  and name HG2 ))
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.60309E-03 ppm1      1.705 ppm2      5.733 CV     1
 ASSI {  524}
   (( segid "   A" and resid 210  and name HG1 ))
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.58850E-03 ppm1      1.466 ppm2      5.730 CV     1
 ASSI {  525}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      0.342 ppm2      5.723 CV     1
 ASSI {  526}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.12680E-02 ppm1      1.513 ppm2      5.724 CV     1
 ASSI {  527}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.10311E-02 ppm1      0.959 ppm2      5.737 CV     1
 ASSI {  528}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.80276E-03 ppm1      0.216 ppm2      5.731 CV     1
 OR {  528}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 254  and name HA  ))
 ASSI {  529}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.69866E-03 ppm1      0.735 ppm2      5.725 CV     1
 OR {  529}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 254  and name HA  ))
 ASSI {  530}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.62201E-03 ppm1     -0.123 ppm2      5.728 CV     1
 ASSI {  531}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.10631E-02 ppm1      0.405 ppm2      5.705 CV     1
 ASSI {  532}
   (( segid "   A" and resid 214  and name HA  ))
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.13621E-02 ppm1      5.099 ppm2      5.610 CV     1
 ASSI {  533}
   (( segid "   A" and resid 252  and name HB2 ))
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.54613E-03 ppm1      3.001 ppm2      5.608 CV     1
 ASSI {  534}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.22593E-02 ppm1      1.272 ppm2      5.616 CV     1
 ASSI {  535}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.77335E-03 ppm1      0.086 ppm2      5.614 CV     1
 ASSI {  536}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      0.376 ppm2      5.609 CV     1
 ASSI {  537}
   (( segid "   A" and resid 117  and name HA2 ))
   (( segid "   A" and resid 155  and name HA  ))
      6.000     4.500     0.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.58710E-03 ppm1      3.535 ppm2      5.532 CV     1
 ASSI {  538}
   (( segid "   A" and resid 155  and name HB1 ))
   (( segid "   A" and resid 155  and name HA  ))
      6.000     4.500     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.91713E-03 ppm1      2.978 ppm2      5.537 CV     1
 ASSI {  539}
   (( segid "   A" and resid 155  and name HB2 ))
   (( segid "   A" and resid 155  and name HA  ))
      6.000     4.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.70255E-03 ppm1      2.744 ppm2      5.535 CV     1
 ASSI {  540}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 155  and name HA  ))
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.59682E-03 ppm1      0.687 ppm2      5.539 CV     1
 ASSI {  541}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 155  and name HA  ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      0.238 ppm2      5.523 CV     1
 ASSI {  543}
   (( segid "   A" and resid 157  and name HB2 ))
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.70644E-03 ppm1      2.762 ppm2      5.470 CV     1
 ASSI {  544}
   (( segid "   A" and resid 157  and name HB1 ))
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      2.929 ppm2      5.459 CV     1
 ASSI {  545}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      0.033 ppm2      5.452 CV     1
 ASSI {  546}
   (( segid "   A" and resid 158  and name HB  ))
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.53640E-03 ppm1      1.429 ppm2      5.431 CV     1
 ASSI {  548}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.50516E-03 ppm1      0.740 ppm2      5.391 CV     1
 ASSI {  549}
   (( segid "   A" and resid 114  and name HA  ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.64061E-03 ppm1      4.720 ppm2      5.372 CV     1
 ASSI {  550}
   (( segid "   A" and resid 213  and name HA  ))
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      4.601 ppm2      5.373 CV     1
 ASSI {  552}
   (( segid "   A" and resid 242  and name HA  ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.27393E-02 ppm1      4.710 ppm2      5.373 CV     1
 ASSI {  553}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.11134E-02 ppm1      5.004 ppm2      5.361 CV     1
 ASSI {  554}
   (( segid "   A" and resid 113  and name HD2 ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.56277E-03 ppm1      3.076 ppm2      5.377 CV     1
 ASSI {  555}
   (( segid "   A" and resid 242  and name HD2 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.12464E-02 ppm1      3.025 ppm2      5.369 CV     1
 ASSI {  556}
   (( segid "   A" and resid 242  and name HD1 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.16215E-02 ppm1      2.958 ppm2      5.375 CV     1
 ASSI {  557}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.46267E-03 ppm1      2.013 ppm2      5.360 CV     1
 OR {  557}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 113  and name HA  ))
 ASSI {  558}
   (( segid "   A" and resid 282  and name HB  ))
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.73790E-03 ppm1      1.784 ppm2      5.377 CV     1
 ASSI {  559}
   (( segid "   A" and resid 114  and name HB  ))
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.61704E-03 ppm1      2.095 ppm2      5.372 CV     1
 OR {  559}
   (( segid "   A" and resid 114  and name HB  ))
   (( segid "   A" and resid 113  and name HA  ))
 ASSI {  560}
   (( segid "   A" and resid 213  and name HB  ))
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.62688E-03 ppm1      1.213 ppm2      5.365 CV     1
 ASSI {  561}
   (( segid "   A" and resid 113  and name HB1 ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.11783E-02 ppm1      1.800 ppm2      5.361 CV     1
 ASSI {  562}
   (( segid "   A" and resid 113  and name HB2 ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.13242E-02 ppm1      1.735 ppm2      5.369 CV     1
 ASSI {  563}
   (( segid "   A" and resid 242  and name HB2 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.59337E-03 ppm1      1.388 ppm2      5.368 CV     1
 ASSI {  564}
   (( segid "   A" and resid 242  and name HB1 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.67304E-03 ppm1      1.630 ppm2      5.363 CV     1
 ASSI {  566}
   (( segid "   A" and resid 249  and name HB1 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.67401E-03 ppm1      3.279 ppm2      5.373 CV     1
 ASSI {  568}
   (( segid "   A" and resid 249  and name HB2 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.69768E-03 ppm1      2.564 ppm2      5.367 CV     1
 ASSI {  569}
   (( segid "   A" and resid 113  and name HG2 ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.12853E-02 ppm1      1.732 ppm2      5.372 CV     1
 ASSI {  570}
   (( segid "   A" and resid 113  and name HG1 ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.93940E-03 ppm1      1.381 ppm2      5.365 CV     1
 ASSI {  571}
   (( segid "   A" and resid 242  and name HG1 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.11199E-02 ppm1      1.589 ppm2      5.369 CV     1
 ASSI {  572}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.13891E-02 ppm1      1.333 ppm2      5.374 CV     1
 ASSI {  573}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      1.012 ppm2      5.368 CV     1
 ASSI {  574}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.67304E-03 ppm1     -0.083 ppm2      5.372 CV     1
 ASSI {  575}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.12994E-02 ppm1      0.895 ppm2      5.364 CV     1
 ASSI {  576}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.22431E-02 ppm1      0.922 ppm2      5.363 CV     1
 ASSI {  577}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.12778E-01 ppm1      0.987 ppm2      5.359 CV     1
 OR {  577}
   (  segid "   A" and resid 185  and name HG2%)
   (( segid "   A" and resid 185  and name HA  ))
 ASSI {  578}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.19534E-02 ppm1      0.339 ppm2      5.379 CV     1
 ASSI {  579}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.16918E-02 ppm1      0.405 ppm2      5.376 CV     1
 ASSI {  580}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.25425E-02 ppm1      0.886 ppm2      5.375 CV     1
 ASSI {  581}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.62980E-03 ppm1      0.780 ppm2      5.363 CV     1
 ASSI {  582}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.53078E-03 ppm1      1.464 ppm2      5.357 CV     1
 ASSI {  583}
   (( segid "   A" and resid 116  and name HA  ))
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.17674E-02 ppm1      4.577 ppm2      5.350 CV     1
 ASSI {  584}
   (( segid "   A" and resid 185  and name HB  ))
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.16291E-02 ppm1      1.879 ppm2      5.345 CV     1
 ASSI {  585}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.15426E-02 ppm1      0.802 ppm2      5.347 CV     1
 OR {  585}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 185  and name HA  ))
 ASSI {  586}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      0.290 ppm2      5.354 CV     1
 ASSI {  587}
   (( segid "   A" and resid 250  and name HE1 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.81065E-03 ppm1      2.983 ppm2      5.353 CV     1
 OR {  587}
   (( segid "   A" and resid 184  and name HE2 ))
   (( segid "   A" and resid 185  and name HA  ))
 OR {  587}
   (( segid "   A" and resid 184  and name HE1 ))
   (( segid "   A" and resid 185  and name HA  ))
 OR {  587}
   (( segid "   A" and resid 273  and name HB2 ))
   (( segid "   A" and resid 282  and name HA  ))
 ASSI {  590}
   (( segid "   A" and resid 281  and name HB1 ))
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.55510E-03 ppm1      1.731 ppm2      5.280 CV     1
 OR {  590}
   (( segid "   A" and resid 281  and name HB2 ))
   (( segid "   A" and resid 281  and name HA  ))
 ASSI {  591}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.11156E-02 ppm1      1.014 ppm2      5.280 CV     1
 ASSI {  592}
   (( segid "   A" and resid 281  and name HD1 ))
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.10505E-02 ppm1      3.175 ppm2      5.267 CV     1
 ASSI {  593}
   (( segid "   A" and resid 281  and name HD2 ))
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10700E-02 ppm1      3.093 ppm2      5.272 CV     1
 ASSI {  594}
   (( segid "   A" and resid 281  and name HG1 ))
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.54537E-03 ppm1      1.520 ppm2      5.273 CV     1
 ASSI {  595}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.11297E-02 ppm1      1.271 ppm2      5.264 CV     1
 ASSI {  596}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.13653E-02 ppm1      0.532 ppm2      5.111 CV     1
 ASSI {  597}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.86989E-03 ppm1      0.758 ppm2      5.111 CV     1
 ASSI {  598}
   (( segid "   A" and resid 138  and name HA  ))
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.22258E-02 ppm1      3.749 ppm2      5.105 CV     1
 ASSI {  600}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.63747E-02 ppm1      1.272 ppm2      5.099 CV     1
 ASSI {  601}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.21263E-02 ppm1      0.373 ppm2      5.100 CV     1
 OR {  601}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 214  and name HA  ))
 ASSI {  603}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.16194E-02 ppm1      0.406 ppm2      5.095 CV     1
 ASSI {  604}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.10394E-02 ppm1      0.651 ppm2      5.108 CV     1
 OR {  604}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 214  and name HA  ))
 ASSI {  605}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.84308E-03 ppm1      0.776 ppm2      5.101 CV     1
 ASSI {  606}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.82340E-03 ppm1      1.458 ppm2      5.105 CV     1
 ASSI {  607}
   (( segid "   A" and resid 284  and name HA  ))
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      4.412 ppm2      5.077 CV     1
 ASSI {  608}
   (( segid "   A" and resid 211  and name HB  ))
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.77530E-03 ppm1      1.986 ppm2      5.075 CV     1
 ASSI {  609}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.22312E-02 ppm1      0.992 ppm2      5.071 CV     1
 ASSI {  610}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.14086E-02 ppm1      1.512 ppm2      5.064 CV     1
 ASSI {  611}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.43305E-02 ppm1      0.959 ppm2      5.072 CV     1
 ASSI {  612}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.15188E-02 ppm1      0.737 ppm2      5.072 CV     1
 ASSI {  613}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.70157E-03 ppm1     -0.124 ppm2      5.061 CV     1
 OR {  613}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 211  and name HA  ))
 ASSI {  614}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.26604E-02 ppm1      2.555 ppm2      5.045 CV     1
 OR {  614}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 230  and name HA  ))
 ASSI {  615}
   (( segid "   A" and resid 256  and name HB1 ))
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.93237E-03 ppm1      2.170 ppm2      5.031 CV     1
 ASSI {  616}
   (( segid "   A" and resid 176  and name HB  ))
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.10742E-02 ppm1      2.060 ppm2      5.032 CV     1
 ASSI {  617}
   (( segid "   A" and resid 256  and name HB2 ))
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.89356E-03 ppm1      1.783 ppm2      5.027 CV     1
 ASSI {  619}
   (( segid "   A" and resid 230  and name HB1 ))
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.22571E-02 ppm1      2.291 ppm2      5.048 CV     1
 ASSI {  620}
   (( segid "   A" and resid 230  and name HB2 ))
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.24150E-02 ppm1      2.075 ppm2      5.045 CV     1
 ASSI {  621}
   (  segid "   A" and resid 178  and name HD1%)
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.11783E-02 ppm1      0.806 ppm2      5.033 CV     1
 ASSI {  622}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.93659E-03 ppm1      0.918 ppm2      5.040 CV     1
 ASSI {  623}
   (  segid "   A" and resid 176  and name HG1%)
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.87486E-02 ppm1      1.019 ppm2      5.040 CV     1
 ASSI {  624}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.44797E-02 ppm1      0.889 ppm2      5.040 CV     1
 ASSI {  625}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.47035E-03 ppm1      0.032 ppm2      5.031 CV     1
 ASSI {  626}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.55726E-03 ppm1      1.245 ppm2      5.029 CV     1
 OR {  626}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 256  and name HA  ))
 ASSI {  627}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.10213E-02 ppm1      0.574 ppm2      5.047 CV     1
 ASSI {  628}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      0.218 ppm2      5.037 CV     1
 ASSI {  629}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.37630E-02 ppm1      1.385 ppm2      5.038 CV     1
 ASSI {  630}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.31165E-02 ppm1      0.680 ppm2      5.044 CV     1
 ASSI {  633}
   (( segid "   A" and resid 142  and name HB1 ))
   (( segid "   A" and resid 142  and name HA  ))
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.35403E-02 ppm1      2.816 ppm2      5.013 CV     1
 ASSI {  634}
   (( segid "   A" and resid 142  and name HB2 ))
   (( segid "   A" and resid 142  and name HA  ))
      6.000     4.500     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.37684E-02 ppm1      2.607 ppm2      5.013 CV     1
 ASSI {  635}
   (( segid "   A" and resid 256  and name HG1 ))
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.94210E-03 ppm1      2.229 ppm2      5.012 CV     1
 ASSI {  636}
   (( segid "   A" and resid 256  and name HG2 ))
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.75757E-03 ppm1      2.137 ppm2      5.016 CV     1
 ASSI {  637}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.10631E-02 ppm1      2.021 ppm2      5.006 CV     1
 OR {  637}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 159  and name HA  ))
 ASSI {  638}
   (( segid "   A" and resid 210  and name HB2 ))
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.74773E-03 ppm1      1.871 ppm2      5.008 CV     1
 OR {  638}
   (( segid "   A" and resid 185  and name HB  ))
   (( segid "   A" and resid 173  and name HA  ))
 ASSI {  639}
   (( segid "   A" and resid 113  and name HB1 ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.85389E-03 ppm1      1.806 ppm2      5.001 CV     1
 ASSI {  640}
   (( segid "   A" and resid 113  and name HB2 ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.70449E-03 ppm1      1.737 ppm2      5.006 CV     1
 ASSI {  641}
   (( segid "   A" and resid 159  and name HB2 ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.84016E-03 ppm1      2.030 ppm2      5.007 CV     1
 ASSI {  642}
   (( segid "   A" and resid 159  and name HB1 ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.84113E-03 ppm1      1.691 ppm2      5.011 CV     1
 ASSI {  643}
   (( segid "   A" and resid 113  and name HG1 ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.72514E-03 ppm1      1.391 ppm2      5.024 CV     1
 ASSI {  644}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 142  and name HA  ))
      6.000     4.500     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.10270E-02 ppm1      0.593 ppm2      5.012 CV     1
 ASSI {  645}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 152  and name HA  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.72514E-03 ppm1      1.271 ppm2      5.007 CV     1
 ASSI {  646}
   (  segid "   A" and resid 183  and name HD1%)
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.11588E-02 ppm1      0.868 ppm2      5.023 CV     1
 ASSI {  647}
   (( segid "   A" and resid 145  and name HA  ))
   (( segid "   A" and resid 152  and name HA  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.25393E-02 ppm1      4.592 ppm2      4.993 CV     1
 ASSI {  648}
   (( segid "   A" and resid 174  and name HA  ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.11426E-02 ppm1      4.447 ppm2      4.954 CV     1
 ASSI {  649}
   (( segid "   A" and resid 184  and name HE2 ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.25350E-02 ppm1      2.987 ppm2      4.946 CV     1
 OR {  649}
   (( segid "   A" and resid 184  and name HE1 ))
   (( segid "   A" and resid 184  and name HA  ))
 ASSI {  650}
   (( segid "   A" and resid 184  and name HB2 ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.37079E-02 ppm1      1.737 ppm2      4.951 CV     1
 ASSI {  651}
   (( segid "   A" and resid 184  and name HB1 ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.34690E-02 ppm1      1.593 ppm2      4.951 CV     1
 ASSI {  652}
   (( segid "   A" and resid 184  and name HD1 ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.34906E-02 ppm1      1.725 ppm2      4.954 CV     1
 OR {  652}
   (( segid "   A" and resid 184  and name HD2 ))
   (( segid "   A" and resid 184  and name HA  ))
 ASSI {  653}
   (( segid "   A" and resid 184  and name HG1 ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.25944E-02 ppm1      1.441 ppm2      4.949 CV     1
 ASSI {  654}
   (( segid "   A" and resid 184  and name HG2 ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      1.355 ppm2      4.952 CV     1
 ASSI {  655}
   (( segid "   A" and resid 273  and name HA  ))
   (( segid "   A" and resid 270  and name HA  ))
      6.000     4.500     0.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.67606E-03 ppm1      4.297 ppm2      4.931 CV     1
 ASSI {  656}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 270  and name HA  ))
      6.000     4.500     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.80276E-03 ppm1      1.048 ppm2      4.943 CV     1
 ASSI {  657}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 270  and name HA  ))
      6.000     4.500     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.25112E-02 ppm1      0.184 ppm2      4.938 CV     1
 ASSI {  658}
   (( segid "   A" and resid 244  and name HD2 ))
   (( segid "   A" and resid 243  and name HA  ))
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.29198E-02 ppm1      4.071 ppm2      4.908 CV     1
 ASSI {  659}
   (( segid "   A" and resid 243  and name HB1 ))
   (( segid "   A" and resid 243  and name HA  ))
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      3.167 ppm2      4.905 CV     1
 ASSI {  660}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 243  and name HA  ))
      6.000     4.500     0.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      2.396 ppm2      4.904 CV     1
 ASSI {  661}
   (( segid "   A" and resid 250  and name HE2 ))
   (( segid "   A" and resid 243  and name HA  ))
      6.000     4.500     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.22896E-02 ppm1      2.948 ppm2      4.916 CV     1
 OR {  661}
   (( segid "   A" and resid 273  and name HB2 ))
   (( segid "   A" and resid 270  and name HA  ))
 ASSI {  662}
   (( segid "   A" and resid 244  and name HG2 ))
   (( segid "   A" and resid 243  and name HA  ))
      6.000     4.500     0.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.21988E-02 ppm1      2.070 ppm2      4.913 CV     1
 OR {  662}
   (( segid "   A" and resid 244  and name HG1 ))
   (( segid "   A" and resid 243  and name HA  ))
 ASSI {  663}
   (( segid "   A" and resid 263  and name HB1 ))
   (( segid "   A" and resid 209  and name HA  ))
      6.000     4.500     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.59055E-03 ppm1      3.808 ppm2      4.880 CV     1
 ASSI {  664}
   (( segid "   A" and resid 263  and name HB2 ))
   (( segid "   A" and resid 209  and name HA  ))
      6.000     4.500     0.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.62007E-03 ppm1      3.762 ppm2      4.870 CV     1
 OR {  664}
   (( segid "   A" and resid 263  and name HB2 ))
   (( segid "   A" and resid 257  and name HA  ))
 ASSI {  665}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 209  and name HA  ))
      6.000     4.500     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      3.911 ppm2      4.873 CV     1
 ASSI {  666}
   (( segid "   A" and resid 244  and name HD1 ))
   (( segid "   A" and resid 243  and name HA  ))
      6.000     4.500     0.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.37187E-02 ppm1      3.997 ppm2      4.890 CV     1
 ASSI {  667}
   (( segid "   A" and resid 222  and name HB2 ))
   (( segid "   A" and resid 239  and name HA  ))
      6.000     4.500     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.94069E-03 ppm1      2.582 ppm2      4.865 CV     1
 ASSI {  668}
   (( segid "   A" and resid 209  and name HB2 ))
   (( segid "   A" and resid 209  and name HA  ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.14604E-02 ppm1      3.570 ppm2      4.873 CV     1
 ASSI {  669}
   (( segid "   A" and resid 209  and name HB1 ))
   (( segid "   A" and resid 209  and name HA  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.16410E-02 ppm1      2.661 ppm2      4.872 CV     1
 ASSI {  670}
   (  segid "   A" and resid 260  and name HB% )
   (( segid "   A" and resid 209  and name HA  ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.12810E-02 ppm1      1.413 ppm2      4.876 CV     1
 ASSI {  671}
   (( segid "   A" and resid 239  and name HB  ))
   (( segid "   A" and resid 239  and name HA  ))
      6.000     4.500     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.62807E-02 ppm1      3.925 ppm2      4.862 CV     1
 ASSI {  672}
   (( segid "   A" and resid 235  and name HA  ))
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.24679E-02 ppm1      4.050 ppm2      4.845 CV     1
 ASSI {  674}
   (( segid "   A" and resid 177  and name HA  ))
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.41522E-02 ppm1      4.580 ppm2      4.846 CV     1
 ASSI {  675}
   (( segid "   A" and resid 257  and name HB2 ))
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.54753E-03 ppm1      3.561 ppm2      4.845 CV     1
 ASSI {  676}
   (( segid "   A" and resid 257  and name HB1 ))
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.78308E-03 ppm1      2.750 ppm2      4.837 CV     1
 ASSI {  677}
   (( segid "   A" and resid 182  and name HB2 ))
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.25739E-02 ppm1      2.492 ppm2      4.844 CV     1
 OR {  677}
   (( segid "   A" and resid 182  and name HB1 ))
   (( segid "   A" and resid 182  and name HA  ))
 ASSI {  678}
   (( segid "   A" and resid 222  and name HB1 ))
   (( segid "   A" and resid 239  and name HA  ))
      6.000     4.500     0.000 peak   678 spectrum    1 weight  0.10000E+01 volume  0.79292E-03 ppm1      2.639 ppm2      4.857 CV     1
 ASSI {  679}
   (( segid "   A" and resid 162  and name HB  ))
   (( segid "   A" and resid 162  and name HA  ))
      6.000     4.500     0.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.29122E-02 ppm1      2.197 ppm2      4.857 CV     1
 ASSI {  680}
   (( segid "   A" and resid 177  and name HB1 ))
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.87410E-03 ppm1      1.908 ppm2      4.839 CV     1
 ASSI {  681}
   (( segid "   A" and resid 177  and name HB2 ))
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.98664E-03 ppm1      1.782 ppm2      4.850 CV     1
 OR {  681}
   (( segid "   A" and resid 234  and name HB1 ))
   (( segid "   A" and resid 257  and name HA  ))
 ASSI {  682}
   (( segid "   A" and resid 177  and name HG2 ))
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.23036E-02 ppm1      2.281 ppm2      4.846 CV     1
 OR {  682}
   (( segid "   A" and resid 177  and name HG1 ))
   (( segid "   A" and resid 182  and name HA  ))
 ASSI {  683}
   (( segid "   A" and resid 163  and name HG1 ))
   (( segid "   A" and resid 162  and name HA  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.90880E-03 ppm1      1.991 ppm2      4.858 CV     1
 OR {  683}
   (( segid "   A" and resid 206  and name HG1 ))
   (( segid "   A" and resid 209  and name HA  ))
 ASSI {  684}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 162  and name HA  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.85929E-02 ppm1      1.058 ppm2      4.855 CV     1
 ASSI {  685}
   (  segid "   A" and resid 239  and name HG2%)
   (( segid "   A" and resid 239  and name HA  ))
      6.000     4.500     0.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.16096E-01 ppm1      1.166 ppm2      4.862 CV     1
 ASSI {  686}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 239  and name HA  ))
      6.000     4.500     0.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.79887E-03 ppm1      0.083 ppm2      4.837 CV     1
 ASSI {  687}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 162  and name HA  ))
      6.000     4.500     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.35576E-02 ppm1      0.778 ppm2      4.856 CV     1
 ASSI {  688}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.29717E-02 ppm1      1.918 ppm2      4.847 CV     1
 ASSI {  689}
   (( segid "   A" and resid 272  and name HA  ))
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.56904E-03 ppm1      3.885 ppm2      4.811 CV     1
 ASSI {  690}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.31328E-02 ppm1      0.803 ppm2      4.814 CV     1
 OR {  690}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 187  and name HA  ))
 ASSI {  691}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.18312E-02 ppm1      0.950 ppm2      4.835 CV     1
 ASSI {  692}
   (  segid "   A" and resid 191  and name HG2%)
   (( segid "   A" and resid 190  and name HA  ))
      6.000     4.500     0.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.11686E-02 ppm1      0.899 ppm2      4.759 CV     1
 ASSI {  693}
   (  segid "   A" and resid 183  and name HD1%)
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      0.846 ppm2      4.832 CV     1
 ASSI {  694}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      0.677 ppm2      4.823 CV     1
 ASSI {  695}
   (( segid "   A" and resid 274  and name HA  ))
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.27555E-02 ppm1      4.309 ppm2      4.803 CV     1
 ASSI {  696}
   (( segid "   A" and resid 117  and name HA2 ))
   (( segid "   A" and resid 117  and name HA1 ))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      3.526 ppm2      4.786 CV     1
 ASSI {  697}
   (( segid "   A" and resid 279  and name HB2 ))
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.70849E-03 ppm1      2.723 ppm2      4.806 CV     1
 ASSI {  698}
   (( segid "   A" and resid 279  and name HB1 ))
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.89767E-03 ppm1      2.532 ppm2      4.801 CV     1
 ASSI {  699}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 117  and name HA1 ))
      6.000     4.500     0.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      0.702 ppm2      4.800 CV     1
 ASSI {  700}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.19588E-02 ppm1      0.573 ppm2      4.795 CV     1
 ASSI {  701}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.21458E-02 ppm1      0.219 ppm2      4.784 CV     1
 ASSI {  702}
   (( segid "   A" and resid 221  and name HB2 ))
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.66579E-02 ppm1      4.193 ppm2      4.760 CV     1
 ASSI {  703}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.64612E-02 ppm1      3.943 ppm2      4.762 CV     1
 ASSI {  704}
   (( segid "   A" and resid 255  and name HA  ))
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.20009E-02 ppm1      4.557 ppm2      4.770 CV     1
 ASSI {  705}
   (( segid "   A" and resid 155  and name HA  ))
   (( segid "   A" and resid 117  and name HA1 ))
      6.000     4.500     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.45921E-03 ppm1      5.538 ppm2      4.777 CV     1
 ASSI {  706}
   (( segid "   A" and resid 143  and name HA  ))
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.22647E-02 ppm1      4.392 ppm2      4.764 CV     1
 ASSI {  707}
   (( segid "   A" and resid 275  and name HB2 ))
   (( segid "   A" and resid 275  and name HA  ))
      6.000     4.500     0.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1      2.095 ppm2      4.762 CV     1
 ASSI {  708}
   (( segid "   A" and resid 275  and name HB1 ))
   (( segid "   A" and resid 275  and name HA  ))
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      1.453 ppm2      4.769 CV     1
 ASSI {  709}
   (( segid "   A" and resid 255  and name HG12))
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.56418E-03 ppm1      0.571 ppm2      4.758 CV     1
 ASSI {  710}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 275  and name HA  ))
      6.000     4.500     0.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.22312E-02 ppm1      0.968 ppm2      4.763 CV     1
 ASSI {  711}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 275  and name HA  ))
      6.000     4.500     0.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.70255E-03 ppm1      0.904 ppm2      4.754 CV     1
 OR {  711}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 221  and name HA  ))
 ASSI {  712}
   (( segid "   A" and resid 225  and name HG11))
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.90599E-03 ppm1      1.054 ppm2      4.774 CV     1
 OR {  712}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 275  and name HA  ))
 ASSI {  713}
   (( segid "   A" and resid 238  and name HB2 ))
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.99637E-03 ppm1      2.800 ppm2      4.777 CV     1
 ASSI {  714}
   (( segid "   A" and resid 238  and name HB1 ))
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.94491E-03 ppm1      2.315 ppm2      4.768 CV     1
 ASSI {  715}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.30225E-02 ppm1     -0.085 ppm2      4.758 CV     1
 ASSI {  716}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 275  and name HA  ))
      6.000     4.500     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.10723E-01 ppm1      1.043 ppm2      4.764 CV     1
 ASSI {  717}
   (  segid "   A" and resid 156  and name HB% )
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.76265E-02 ppm1      0.833 ppm2      4.763 CV     1
 ASSI {  718}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 285  and name HA  ))
      6.000     4.500     0.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.16215E-02 ppm1      0.557 ppm2      4.757 CV     1
 ASSI {  719}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.93378E-03 ppm1      0.591 ppm2      4.774 CV     1
 ASSI {  720}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.74481E-03 ppm1      1.276 ppm2      4.755 CV     1
 ASSI {  722}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.10297E-02 ppm1      0.240 ppm2      4.774 CV     1
 ASSI {  723}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.13307E-02 ppm1     -0.125 ppm2      4.767 CV     1
 ASSI {  724}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.61315E-03 ppm1      0.480 ppm2      4.768 CV     1
 OR {  724}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 117  and name HA1 ))
 ASSI {  725}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.69660E-03 ppm1      0.629 ppm2      4.763 CV     1
 ASSI {  726}
   (( segid "   A" and resid 164  and name HA  ))
   (( segid "   A" and resid 285  and name HA  ))
      6.000     4.500     0.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.56072E-03 ppm1      3.292 ppm2      4.745 CV     1
 ASSI {  727}
   (( segid "   A" and resid 189  and name HA  ))
   (( segid "   A" and resid 189  and name HB1 ))
      6.000     4.500     0.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.31241E-02 ppm1      4.454 ppm2      4.742 CV     1
 OR {  727}
   (( segid "   A" and resid 189  and name HA  ))
   (( segid "   A" and resid 189  and name HB2 ))
 ASSI {  728}
   (( segid "   A" and resid 219  and name HB2 ))
   (( segid "   A" and resid 219  and name HA  ))
      6.000     4.500     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.15448E-02 ppm1      2.881 ppm2      4.742 CV     1
 ASSI {  729}
   (( segid "   A" and resid 219  and name HB1 ))
   (( segid "   A" and resid 219  and name HA  ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      2.726 ppm2      4.740 CV     1
 ASSI {  730}
   (( segid "   A" and resid 132  and name HB2 ))
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.60169E-03 ppm1      3.519 ppm2      4.736 CV     1
 ASSI {  731}
   (( segid "   A" and resid 190  and name HB2 ))
   (( segid "   A" and resid 190  and name HA  ))
      6.000     4.500     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.36571E-02 ppm1      2.981 ppm2      4.750 CV     1
 ASSI {  732}
   (( segid "   A" and resid 190  and name HB1 ))
   (( segid "   A" and resid 190  and name HA  ))
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.39738E-02 ppm1      2.729 ppm2      4.749 CV     1
 ASSI {  733}
   (( segid "   A" and resid 259  and name HB2 ))
   (( segid "   A" and resid 259  and name HA  ))
      6.000     4.500     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.17512E-02 ppm1      1.883 ppm2      4.727 CV     1
 ASSI {  734}
   (( segid "   A" and resid 193  and name HG1 ))
   (( segid "   A" and resid 190  and name HA  ))
      6.000     4.500     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.14680E-02 ppm1      2.416 ppm2      4.745 CV     1
 OR {  734}
   (( segid "   A" and resid 193  and name HG2 ))
   (( segid "   A" and resid 190  and name HA  ))
 ASSI {  735}
   (( segid "   A" and resid 259  and name HD1 ))
   (( segid "   A" and resid 259  and name HA  ))
      6.000     4.500     0.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.59423E-02 ppm1      1.755 ppm2      4.729 CV     1
 OR {  735}
   (( segid "   A" and resid 259  and name HD2 ))
   (( segid "   A" and resid 259  and name HA  ))
 ASSI {  736}
   (( segid "   A" and resid 259  and name HG1 ))
   (( segid "   A" and resid 259  and name HA  ))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.28852E-02 ppm1      1.580 ppm2      4.730 CV     1
 ASSI {  737}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 285  and name HA  ))
      6.000     4.500     0.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.16885E-02 ppm1      0.782 ppm2      4.745 CV     1
 ASSI {  738}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.11697E-02 ppm1      0.084 ppm2      4.730 CV     1
 OR {  738}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 212  and name HA  ))
 ASSI {  739}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.97129E-03 ppm1      0.027 ppm2      4.732 CV     1
 OR {  739}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 132  and name HA  ))
 ASSI {  740}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 285  and name HA  ))
      6.000     4.500     0.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.68698E-02 ppm1      1.513 ppm2      4.746 CV     1
 ASSI {  741}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.89216E-03 ppm1      1.342 ppm2      4.734 CV     1
 ASSI {  742}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.13286E-02 ppm1      1.386 ppm2      4.741 CV     1
 ASSI {  745}
   (( segid "   A" and resid 146  and name HB1 ))
   (( segid "   A" and resid 146  and name HA  ))
      6.000     4.500     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      3.099 ppm2      4.712 CV     1
 ASSI {  746}
   (( segid "   A" and resid 146  and name HB2 ))
   (( segid "   A" and resid 146  and name HA  ))
      6.000     4.500     0.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.17318E-02 ppm1      2.308 ppm2      4.717 CV     1
 ASSI {  747}
   (( segid "   A" and resid 242  and name HD2 ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.21728E-02 ppm1      3.025 ppm2      4.703 CV     1
 ASSI {  748}
   (( segid "   A" and resid 242  and name HD1 ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.23869E-02 ppm1      2.952 ppm2      4.712 CV     1
 ASSI {  749}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.54677E-03 ppm1      2.379 ppm2      4.719 CV     1
 ASSI {  750}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 259  and name HA  ))
      6.000     4.500     0.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.25425E-02 ppm1      3.042 ppm2      4.726 CV     1
 OR {  750}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 259  and name HA  ))
 ASSI {  751}
   (( segid "   A" and resid 250  and name HE1 ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.44246E-02 ppm1      2.984 ppm2      4.714 CV     1
 ASSI {  752}
   (( segid "   A" and resid 132  and name HB1 ))
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.55445E-03 ppm1      2.847 ppm2      4.722 CV     1
 ASSI {  753}
   (( segid "   A" and resid 114  and name HB  ))
   (( segid "   A" and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.26063E-02 ppm1      2.095 ppm2      4.720 CV     1
 ASSI {  754}
   (( segid "   A" and resid 259  and name HB1 ))
   (( segid "   A" and resid 259  and name HA  ))
      6.000     4.500     0.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.20453E-02 ppm1      2.016 ppm2      4.725 CV     1
 ASSI {  755}
   (( segid "   A" and resid 242  and name HB1 ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12615E-02 ppm1      1.628 ppm2      4.715 CV     1
 ASSI {  756}
   (( segid "   A" and resid 242  and name HB2 ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.11253E-02 ppm1      1.371 ppm2      4.710 CV     1
 ASSI {  757}
   (( segid "   A" and resid 138  and name HG11))
   (( segid "   A" and resid 133  and name HA  ))
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.43003E-03 ppm1      0.305 ppm2      4.700 CV     1
 ASSI {  758}
   (( segid "   A" and resid 138  and name HG12))
   (( segid "   A" and resid 133  and name HA  ))
      6.000     4.500     0.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.88513E-03 ppm1      1.885 ppm2      4.714 CV     1
 ASSI {  759}
   (( segid "   A" and resid 242  and name HG1 ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.21923E-02 ppm1      1.582 ppm2      4.711 CV     1
 ASSI {  760}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.21209E-02 ppm1      1.329 ppm2      4.708 CV     1
 ASSI {  761}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 212  and name HA  ))
      6.000     4.500     0.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.10843E-02 ppm1      1.015 ppm2      4.715 CV     1
 OR {  761}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 132  and name HA  ))
 ASSI {  762}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 259  and name HA  ))
      6.000     4.500     0.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.36300E-02 ppm1      1.478 ppm2      4.725 CV     1
 ASSI {  763}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.85486E-02 ppm1      0.921 ppm2      4.721 CV     1
 ASSI {  764}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      0.130 ppm2      4.712 CV     1
 OR {  764}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 114  and name HA  ))
 ASSI {  765}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.46473E-02 ppm1      0.886 ppm2      4.717 CV     1
 ASSI {  766}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.14248E-02 ppm1      0.777 ppm2      4.714 CV     1
 ASSI {  767}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      1.452 ppm2      4.721 CV     1
 OR {  767}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 114  and name HA  ))
 ASSI {  768}
   (  segid "   A" and resid 260  and name HB% )
   (( segid "   A" and resid 259  and name HA  ))
      6.000     4.500     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.16723E-02 ppm1      1.415 ppm2      4.726 CV     1
 ASSI {  769}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 137  and name HA  ))
      6.000     4.500     0.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.16885E-02 ppm1      0.537 ppm2      4.676 CV     1
 ASSI {  770}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 133  and name HA  ))
      6.000     4.500     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.12778E-01 ppm1      1.607 ppm2      4.701 CV     1
 ASSI {  771}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 133  and name HA  ))
      6.000     4.500     0.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.51413E-02 ppm1      0.761 ppm2      4.702 CV     1
 ASSI {  773}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 287  and name HA  ))
      6.000     4.500     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.22236E-02 ppm1      4.195 ppm2      4.647 CV     1
 ASSI {  774}
   (( segid "   A" and resid 118  and name HB2 ))
   (( segid "   A" and resid 183  and name HA  ))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.16626E-02 ppm1      4.342 ppm2      4.657 CV     1
 ASSI {  775}
   (( segid "   A" and resid 118  and name HB1 ))
   (( segid "   A" and resid 183  and name HA  ))
      6.000     4.500     0.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.26690E-02 ppm1      4.004 ppm2      4.654 CV     1
 ASSI {  776}
   (( segid "   A" and resid 288  and name HD2 ))
   (( segid "   A" and resid 287  and name HA  ))
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.87410E-03 ppm1      3.921 ppm2      4.655 CV     1
 ASSI {  777}
   (( segid "   A" and resid 183  and name HB  ))
   (( segid "   A" and resid 183  and name HA  ))
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.15718E-02 ppm1      2.013 ppm2      4.653 CV     1
 ASSI {  778}
   (( segid "   A" and resid 137  and name HB1 ))
   (( segid "   A" and resid 137  and name HA  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.29003E-02 ppm1      2.348 ppm2      4.647 CV     1
 ASSI {  779}
   (( segid "   A" and resid 137  and name HB2 ))
   (( segid "   A" and resid 137  and name HA  ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.22398E-02 ppm1      2.055 ppm2      4.651 CV     1
 ASSI {  780}
   (( segid "   A" and resid 137  and name HG1 ))
   (( segid "   A" and resid 137  and name HA  ))
      6.000     4.500     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.94631E-03 ppm1      2.293 ppm2      4.649 CV     1
 ASSI {  781}
   (( segid "   A" and resid 137  and name HG2 ))
   (( segid "   A" and resid 137  and name HA  ))
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.10464E-02 ppm1      2.199 ppm2      4.652 CV     1
 ASSI {  782}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 287  and name HA  ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.81854E-03 ppm1      0.791 ppm2      4.653 CV     1
 ASSI {  783}
   (  segid "   A" and resid 287  and name HG2%)
   (( segid "   A" and resid 287  and name HA  ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.48894E-02 ppm1      1.080 ppm2      4.649 CV     1
 ASSI {  784}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 183  and name HA  ))
      6.000     4.500     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.83378E-02 ppm1      0.945 ppm2      4.649 CV     1
 ASSI {  785}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 287  and name HA  ))
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.35630E-02 ppm1      1.144 ppm2      4.649 CV     1
 ASSI {  787}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 287  and name HA  ))
      6.000     4.500     0.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.99074E-03 ppm1      1.964 ppm2      4.644 CV     1
 ASSI {  788}
   (( segid "   A" and resid 178  and name HB1 ))
   (( segid "   A" and resid 178  and name HA  ))
      6.000     4.500     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.29198E-02 ppm1      1.577 ppm2      4.630 CV     1
 ASSI {  789}
   (( segid "   A" and resid 178  and name HB2 ))
   (( segid "   A" and resid 178  and name HA  ))
      6.000     4.500     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.28852E-02 ppm1      1.405 ppm2      4.629 CV     1
 ASSI {  793}
   (  segid "   A" and resid 178  and name HD2%)
   (( segid "   A" and resid 178  and name HA  ))
      6.000     4.500     0.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.16723E-01 ppm1      0.814 ppm2      4.630 CV     1
 OR {  793}
   (  segid "   A" and resid 178  and name HD1%)
   (( segid "   A" and resid 178  and name HA  ))
 ASSI {  794}
   (  segid "   A" and resid 183  and name HD1%)
   (( segid "   A" and resid 183  and name HA  ))
      6.000     4.500     0.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.24247E-02 ppm1      0.868 ppm2      4.641 CV     1
 ASSI {  796}
   (( segid "   A" and resid 220  and name HB1 ))
   (( segid "   A" and resid 220  and name HA  ))
      6.000     4.500     0.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.53986E-03 ppm1      1.991 ppm2      4.595 CV     1
 ASSI {  797}
   (( segid "   A" and resid 220  and name HB2 ))
   (( segid "   A" and resid 220  and name HA  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.64169E-03 ppm1      1.289 ppm2      4.600 CV     1
 ASSI {  798}
   (( segid "   A" and resid 240  and name HB1 ))
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.45024E-03 ppm1      0.746 ppm2      4.592 CV     1
 ASSI {  799}
   (( segid "   A" and resid 213  and name HB  ))
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.19566E-02 ppm1      1.220 ppm2      4.592 CV     1
 ASSI {  800}
   (( segid "   A" and resid 177  and name HB1 ))
   (( segid "   A" and resid 177  and name HA  ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.45629E-02 ppm1      1.903 ppm2      4.604 CV     1
 ASSI {  801}
   (( segid "   A" and resid 177  and name HB2 ))
   (( segid "   A" and resid 177  and name HA  ))
      6.000     4.500     0.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.40462E-02 ppm1      1.783 ppm2      4.595 CV     1
 ASSI {  802}
   (( segid "   A" and resid 145  and name HB1 ))
   (( segid "   A" and resid 145  and name HA  ))
      6.000     4.500     0.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.12280E-02 ppm1      3.060 ppm2      4.592 CV     1
 ASSI {  803}
   (( segid "   A" and resid 145  and name HB2 ))
   (( segid "   A" and resid 145  and name HA  ))
      6.000     4.500     0.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      3.001 ppm2      4.594 CV     1
 ASSI {  804}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 220  and name HA  ))
      6.000     4.500     0.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.18874E-02 ppm1      0.904 ppm2      4.607 CV     1
 ASSI {  805}
   (( segid "   A" and resid 225  and name HG12))
   (( segid "   A" and resid 220  and name HA  ))
      6.000     4.500     0.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.47910E-02 ppm1      1.536 ppm2      4.616 CV     1
 OR {  805}
   (( segid "   A" and resid 281  and name HG1 ))
   (( segid "   A" and resid 213  and name HA  ))
 OR {  805}
   (( segid "   A" and resid 181  and name HG1 ))
   (( segid "   A" and resid 177  and name HA  ))
 ASSI {  806}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 220  and name HA  ))
      6.000     4.500     0.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.79930E-02 ppm1      0.693 ppm2      4.603 CV     1
 ASSI {  807}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.20312E-02 ppm1      1.272 ppm2      4.596 CV     1
 ASSI {  808}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.22150E-02 ppm1      0.534 ppm2      4.592 CV     1
 OR {  808}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 116  and name HA  ))
 ASSI {  809}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 177  and name HA  ))
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.12702E-01 ppm1      1.918 ppm2      4.607 CV     1
 ASSI {  810}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 220  and name HA  ))
      6.000     4.500     0.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.89075E-03 ppm1      0.633 ppm2      4.591 CV     1
 ASSI {  811}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.58018E-03 ppm1      0.485 ppm2      4.605 CV     1
 OR {  811}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 141  and name HA  ))
 ASSI {  812}
   (( segid "   A" and resid 158  and name HA  ))
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      4.082 ppm2      4.584 CV     1
 ASSI {  813}
   (( segid "   A" and resid 282  and name HA  ))
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.28139E-02 ppm1      5.363 ppm2      4.578 CV     1
 ASSI {  814}
   (( segid "   A" and resid 182  and name HA  ))
   (( segid "   A" and resid 177  and name HA  ))
      6.000     4.500     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.55499E-02 ppm1      4.846 ppm2      4.581 CV     1
 ASSI {  815}
   (( segid "   A" and resid 283  and name HA2 ))
   (( segid "   A" and resid 283  and name HA1 ))
      6.000     4.500     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.28376E-02 ppm1      4.024 ppm2      4.568 CV     1
 ASSI {  816}
   (( segid "   A" and resid 151  and name HE2 ))
   (( segid "   A" and resid 151  and name HA  ))
      6.000     4.500     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      2.733 ppm2      4.572 CV     1
 OR {  816}
   (( segid "   A" and resid 151  and name HE1 ))
   (( segid "   A" and resid 151  and name HA  ))
 OR {  816}
   (( segid "   A" and resid 157  and name HB2 ))
   (( segid "   A" and resid 141  and name HA  ))
 ASSI {  817}
   (( segid "   A" and resid 240  and name HB2 ))
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.62785E-03 ppm1      1.468 ppm2      4.580 CV     1
 ASSI {  818}
   (( segid "   A" and resid 141  and name HB  ))
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.12691E-02 ppm1      1.626 ppm2      4.580 CV     1
 ASSI {  819}
   (( segid "   A" and resid 115  and name HB1 ))
   (( segid "   A" and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.11297E-02 ppm1      2.489 ppm2      4.580 CV     1
 OR {  819}
   (( segid "   A" and resid 182  and name HB2 ))
   (( segid "   A" and resid 177  and name HA  ))
 OR {  819}
   (( segid "   A" and resid 182  and name HB1 ))
   (( segid "   A" and resid 177  and name HA  ))
 ASSI {  820}
   (( segid "   A" and resid 151  and name HB2 ))
   (( segid "   A" and resid 151  and name HA  ))
      6.000     4.500     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      1.652 ppm2      4.583 CV     1
 ASSI {  821}
   (( segid "   A" and resid 151  and name HB1 ))
   (( segid "   A" and resid 151  and name HA  ))
      6.000     4.500     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.95464E-03 ppm1      1.377 ppm2      4.578 CV     1
 ASSI {  822}
   (( segid "   A" and resid 116  and name HB  ))
   (( segid "   A" and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.49186E-03 ppm1      1.562 ppm2      4.579 CV     1
 ASSI {  823}
   (( segid "   A" and resid 177  and name HG2 ))
   (( segid "   A" and resid 177  and name HA  ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.44743E-02 ppm1      2.285 ppm2      4.584 CV     1
 ASSI {  824}
   (( segid "   A" and resid 151  and name HD1 ))
   (( segid "   A" and resid 151  and name HA  ))
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.14486E-02 ppm1      1.378 ppm2      4.579 CV     1
 ASSI {  825}
   (( segid "   A" and resid 151  and name HD2 ))
   (( segid "   A" and resid 151  and name HA  ))
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      1.301 ppm2      4.574 CV     1
 ASSI {  826}
   (( segid "   A" and resid 141  and name HG12))
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.12248E-02 ppm1      1.492 ppm2      4.582 CV     1
 ASSI {  827}
   (( segid "   A" and resid 141  and name HG11))
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.91994E-03 ppm1      0.830 ppm2      4.578 CV     1
 ASSI {  828}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 283  and name HA1 ))
      6.000     4.500     0.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      1.013 ppm2      4.566 CV     1
 ASSI {  829}
   (( segid "   A" and resid 151  and name HG1 ))
   (( segid "   A" and resid 151  and name HA  ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.17902E-02 ppm1      1.219 ppm2      4.581 CV     1
 OR {  829}
   (( segid "   A" and resid 151  and name HG2 ))
   (( segid "   A" and resid 151  and name HA  ))
 ASSI {  830}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.20755E-02 ppm1     -0.086 ppm2      4.578 CV     1
 ASSI {  831}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 283  and name HA1 ))
      6.000     4.500     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.50786E-02 ppm1      0.897 ppm2      4.567 CV     1
 ASSI {  832}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.79378E-02 ppm1      0.987 ppm2      4.571 CV     1
 OR {  832}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 116  and name HA  ))
 ASSI {  834}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.47856E-02 ppm1      0.712 ppm2      4.579 CV     1
 ASSI {  835}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.35403E-02 ppm1      0.289 ppm2      4.577 CV     1
 ASSI {  836}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.66504E-02 ppm1      0.083 ppm2      4.572 CV     1
 ASSI {  837}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.53456E-02 ppm1      0.341 ppm2      4.585 CV     1
 ASSI {  838}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.52591E-02 ppm1      0.404 ppm2      4.587 CV     1
 ASSI {  839}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.17199E-02 ppm1      0.131 ppm2      4.584 CV     1
 ASSI {  840}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.21177E-02 ppm1      0.030 ppm2      4.579 CV     1
 ASSI {  841}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.14269E-02 ppm1      0.776 ppm2      4.568 CV     1
 ASSI {  842}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 151  and name HA  ))
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.73595E-03 ppm1      0.691 ppm2      4.567 CV     1
 OR {  842}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 116  and name HA  ))
 ASSI {  843}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.57693E-02 ppm1      0.593 ppm2      4.582 CV     1
 ASSI {  844}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.73303E-03 ppm1      0.738 ppm2      4.587 CV     1
 OR {  844}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 283  and name HA1 ))
 ASSI {  845}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.32538E-02 ppm1      0.739 ppm2      4.579 CV     1
 ASSI {  846}
   (( segid "   A" and resid 269  and name HB2 ))
   (( segid "   A" and resid 269  and name HA  ))
      6.000     4.500     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      3.519 ppm2      4.554 CV     1
 ASSI {  847}
   (( segid "   A" and resid 238  and name HA  ))
   (( segid "   A" and resid 255  and name HA  ))
      6.000     4.500     0.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.18820E-02 ppm1      4.772 ppm2      4.539 CV     1
 ASSI {  848}
   (( segid "   A" and resid 255  and name HG11))
   (( segid "   A" and resid 255  and name HA  ))
      6.000     4.500     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.65736E-03 ppm1      1.066 ppm2      4.542 CV     1
 ASSI {  849}
   (( segid "   A" and resid 255  and name HG12))
   (( segid "   A" and resid 255  and name HA  ))
      6.000     4.500     0.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.49748E-03 ppm1      0.567 ppm2      4.548 CV     1
 ASSI {  850}
   (( segid "   A" and resid 240  and name HG  ))
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.79097E-03 ppm1      1.123 ppm2      4.558 CV     1
 ASSI {  851}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 233  and name HA1 ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.48083E-03 ppm1      1.247 ppm2      4.542 CV     1
 OR {  851}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 269  and name HA  ))
 ASSI {  852}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 255  and name HA  ))
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.32106E-02 ppm1      0.219 ppm2      4.544 CV     1
 ASSI {  853}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 255  and name HA  ))
      6.000     4.500     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.82340E-03 ppm1      0.682 ppm2      4.540 CV     1
 ASSI {  854}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 255  and name HA  ))
      6.000     4.500     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.17339E-02 ppm1     -0.126 ppm2      4.546 CV     1
 ASSI {  855}
   (( segid "   A" and resid 124  and name HA1 ))
   (( segid "   A" and resid 124  and name HA2 ))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.53607E-02 ppm1      3.903 ppm2      4.516 CV     1
 ASSI {  856}
   (( segid "   A" and resid 202  and name HA  ))
   (( segid "   A" and resid 286  and name HA  ))
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.15923E-02 ppm1      3.914 ppm2      4.494 CV     1
 ASSI {  857}
   (( segid "   A" and resid 115  and name HB2 ))
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.45792E-03 ppm1      2.358 ppm2      4.492 CV     1
 ASSI {  858}
   (( segid "   A" and resid 197  and name HB  ))
   (( segid "   A" and resid 194  and name HA  ))
      6.000     4.500     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.94913E-03 ppm1      1.995 ppm2      4.481 CV     1
 ASSI {  859}
   (( segid "   A" and resid 286  and name HB  ))
   (( segid "   A" and resid 286  and name HA  ))
      6.000     4.500     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.36689E-02 ppm1      2.370 ppm2      4.488 CV     1
 ASSI {  861}
   (( segid "   A" and resid 193  and name HB1 ))
   (( segid "   A" and resid 194  and name HA  ))
      6.000     4.500     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.76449E-03 ppm1      2.133 ppm2      4.483 CV     1
 ASSI {  862}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 186  and name HA1 ))
      6.000     4.500     0.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.75260E-02 ppm1      0.802 ppm2      4.484 CV     1
 ASSI {  863}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 286  and name HA  ))
      6.000     4.500     0.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10454E-01 ppm1      0.781 ppm2      4.501 CV     1
 ASSI {  864}
   (  segid "   A" and resid 194  and name HB% )
   (( segid "   A" and resid 194  and name HA  ))
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.13221E-01 ppm1      1.429 ppm2      4.492 CV     1
 ASSI {  865}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 286  and name HA  ))
      6.000     4.500     0.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.42689E-02 ppm1      0.551 ppm2      4.501 CV     1
 ASSI {  866}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 194  and name HA  ))
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.25393E-02 ppm1      1.473 ppm2      4.490 CV     1
 ASSI {  867}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 286  and name HA  ))
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.49597E-02 ppm1      1.145 ppm2      4.495 CV     1
 ASSI {  868}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 194  and name HA  ))
      6.000     4.500     0.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.13988E-02 ppm1      0.877 ppm2      4.484 CV     1
 ASSI {  869}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 286  and name HA  ))
      6.000     4.500     0.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.15285E-02 ppm1      1.964 ppm2      4.503 CV     1
 ASSI {  870}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 124  and name HA2 ))
      6.000     4.500     0.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.14518E-02 ppm1      1.267 ppm2      4.501 CV     1
 ASSI {  871}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 140  and name HA  ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.29522E-02 ppm1      0.730 ppm2      4.505 CV     1
 OR {  871}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 194  and name HA  ))
 OR {  871}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 194  and name HA  ))
 ASSI {  872}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 194  and name HA  ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.35630E-02 ppm1      0.786 ppm2      4.491 CV     1
 ASSI {  873}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 140  and name HA  ))
      6.000     4.500     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.97161E-02 ppm1      3.733 ppm2      4.478 CV     1
 ASSI {  874}
   (( segid "   A" and resid 140  and name HB2 ))
   (( segid "   A" and resid 140  and name HA  ))
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.12572E-01 ppm1      3.674 ppm2      4.477 CV     1
 ASSI {  875}
   (( segid "   A" and resid 144  and name HB2 ))
   (( segid "   A" and resid 144  and name HA  ))
      6.000     4.500     0.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.34571E-02 ppm1      3.458 ppm2      4.470 CV     1
 ASSI {  876}
   (( segid "   A" and resid 144  and name HB1 ))
   (( segid "   A" and resid 144  and name HA  ))
      6.000     4.500     0.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.14853E-02 ppm1      3.170 ppm2      4.468 CV     1
 ASSI {  877}
   (( segid "   A" and resid 215  and name HB2 ))
   (( segid "   A" and resid 215  and name HB1 ))
      6.000     4.500     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.51326E-02 ppm1      4.187 ppm2      4.454 CV     1
 ASSI {  878}
   (( segid "   A" and resid 157  and name HA  ))
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.65444E-03 ppm1      5.454 ppm2      4.475 CV     1
 ASSI {  879}
   (( segid "   A" and resid 281  and name HA  ))
   (( segid "   A" and resid 271  and name HA  ))
      6.000     4.500     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.78016E-03 ppm1      5.272 ppm2      4.456 CV     1
 ASSI {  880}
   (( segid "   A" and resid 196  and name HD1 ))
   (( segid "   A" and resid 196  and name HA  ))
      6.000     4.500     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.89907E-03 ppm1      3.501 ppm2      4.453 CV     1
 ASSI {  881}
   (( segid "   A" and resid 280  and name HB1 ))
   (( segid "   A" and resid 280  and name HA  ))
      6.000     4.500     0.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.59682E-03 ppm1      1.349 ppm2      4.459 CV     1
 ASSI {  882}
   (( segid "   A" and resid 115  and name HB1 ))
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.91713E-03 ppm1      2.475 ppm2      4.456 CV     1
 ASSI {  883}
   (( segid "   A" and resid 282  and name HB  ))
   (( segid "   A" and resid 271  and name HA  ))
      6.000     4.500     0.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.17480E-02 ppm1      1.777 ppm2      4.457 CV     1
 ASSI {  884}
   (( segid "   A" and resid 185  and name HB  ))
   (( segid "   A" and resid 174  and name HA  ))
      6.000     4.500     0.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.20561E-02 ppm1      1.879 ppm2      4.457 CV     1
 ASSI {  885}
   (( segid "   A" and resid 172  and name HB1 ))
   (( segid "   A" and resid 172  and name HA  ))
      6.000     4.500     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.11005E-02 ppm1      2.373 ppm2      4.454 CV     1
 ASSI {  886}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 280  and name HA  ))
      6.000     4.500     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      1.050 ppm2      4.468 CV     1
 ASSI {  887}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 280  and name HA  ))
      6.000     4.500     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.77487E-02 ppm1      0.869 ppm2      4.468 CV     1
 ASSI {  888}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 215  and name HB1 ))
      6.000     4.500     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.14842E-02 ppm1      1.271 ppm2      4.457 CV     1
 ASSI {  889}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 271  and name HA  ))
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.11134E-01 ppm1      0.987 ppm2      4.461 CV     1
 OR {  889}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 186  and name HA1 ))
 ASSI {  890}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.13188E-02 ppm1      0.886 ppm2      4.471 CV     1
 OR {  890}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 172  and name HA  ))
 ASSI {  892}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 140  and name HA  ))
      6.000     4.500     0.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.22042E-02 ppm1      0.535 ppm2      4.479 CV     1
 ASSI {  893}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 172  and name HA  ))
      6.000     4.500     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.83616E-03 ppm1      1.385 ppm2      4.458 CV     1
 OR {  893}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 174  and name HA  ))
 OR {  893}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 215  and name HB1 ))
 ASSI {  894}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 271  and name HA  ))
      6.000     4.500     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.71725E-03 ppm1      0.185 ppm2      4.475 CV     1
 OR {  894}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 280  and name HA  ))
 ASSI {  895}
   (( segid "   A" and resid 189  and name HB1 ))
   (( segid "   A" and resid 189  and name HA  ))
      6.000     4.500     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.28690E-02 ppm1      4.743 ppm2      4.443 CV     1
 OR {  895}
   (( segid "   A" and resid 189  and name HB2 ))
   (( segid "   A" and resid 189  and name HA  ))
 ASSI {  896}
   (( segid "   A" and resid 215  and name HA  ))
   (( segid "   A" and resid 215  and name HB1 ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.26809E-02 ppm1      3.845 ppm2      4.452 CV     1
 ASSI {  897}
   (( segid "   A" and resid 196  and name HD2 ))
   (( segid "   A" and resid 196  and name HA  ))
      6.000     4.500     0.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.47867E-03 ppm1      3.682 ppm2      4.435 CV     1
 ASSI {  898}
   (( segid "   A" and resid 280  and name HB2 ))
   (( segid "   A" and resid 280  and name HA  ))
      6.000     4.500     0.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.50580E-03 ppm1      2.264 ppm2      4.452 CV     1
 ASSI {  899}
   (( segid "   A" and resid 174  and name HB2 ))
   (( segid "   A" and resid 174  and name HA  ))
      6.000     4.500     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.32225E-02 ppm1      2.961 ppm2      4.452 CV     1
 ASSI {  900}
   (( segid "   A" and resid 174  and name HB1 ))
   (( segid "   A" and resid 174  and name HA  ))
      6.000     4.500     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.31360E-02 ppm1      2.865 ppm2      4.452 CV     1
 ASSI {  901}
   (( segid "   A" and resid 172  and name HG2 ))
   (( segid "   A" and resid 172  and name HA  ))
      6.000     4.500     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.15491E-02 ppm1      2.766 ppm2      4.448 CV     1
 ASSI {  902}
   (( segid "   A" and resid 172  and name HG1 ))
   (( segid "   A" and resid 172  and name HA  ))
      6.000     4.500     0.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.22507E-02 ppm1      2.395 ppm2      4.446 CV     1
 ASSI {  903}
   (( segid "   A" and resid 196  and name HB1 ))
   (( segid "   A" and resid 196  and name HA  ))
      6.000     4.500     0.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.21847E-02 ppm1      1.752 ppm2      4.435 CV     1
 ASSI {  904}
   (( segid "   A" and resid 196  and name HG1 ))
   (( segid "   A" and resid 196  and name HA  ))
      6.000     4.500     0.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      2.069 ppm2      4.426 CV     1
 ASSI {  905}
   (( segid "   A" and resid 196  and name HG2 ))
   (( segid "   A" and resid 196  and name HA  ))
      6.000     4.500     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      1.986 ppm2      4.426 CV     1
 ASSI {  906}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 246  and name HA  ))
      6.000     4.500     0.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.66579E-02 ppm1      4.267 ppm2      4.424 CV     1
 ASSI {  908}
   (( segid "   A" and resid 181  and name HD2 ))
   (( segid "   A" and resid 120  and name HA  ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.19231E-02 ppm1      3.003 ppm2      4.414 CV     1
 OR {  908}
   (( segid "   A" and resid 181  and name HD1 ))
   (( segid "   A" and resid 120  and name HA  ))
 ASSI {  909}
   (( segid "   A" and resid 250  and name HE2 ))
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.36235E-02 ppm1      2.939 ppm2      4.416 CV     1
 OR {  909}
   (( segid "   A" and resid 157  and name HB1 ))
   (( segid "   A" and resid 143  and name HA  ))
 ASSI {  910}
   (( segid "   A" and resid 120  and name HB2 ))
   (( segid "   A" and resid 120  and name HA  ))
      6.000     4.500     0.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.77227E-03 ppm1      3.137 ppm2      4.422 CV     1
 ASSI {  911}
   (( segid "   A" and resid 250  and name HB2 ))
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.15685E-02 ppm1      2.437 ppm2      4.423 CV     1
 ASSI {  912}
   (( segid "   A" and resid 250  and name HB1 ))
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.79097E-03 ppm1      1.362 ppm2      4.424 CV     1
 ASSI {  913}
   (( segid "   A" and resid 248  and name HB1 ))
   (( segid "   A" and resid 248  and name HA  ))
      6.000     4.500     0.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.25393E-02 ppm1      1.622 ppm2      4.414 CV     1
 ASSI {  914}
   (( segid "   A" and resid 284  and name HB1 ))
   (( segid "   A" and resid 284  and name HA  ))
      6.000     4.500     0.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.45024E-02 ppm1      1.829 ppm2      4.415 CV     1
 ASSI {  915}
   (( segid "   A" and resid 250  and name HD2 ))
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.18172E-02 ppm1      1.809 ppm2      4.412 CV     1
 ASSI {  916}
   (( segid "   A" and resid 284  and name HD2 ))
   (( segid "   A" and resid 284  and name HA  ))
      6.000     4.500     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.40516E-02 ppm1      1.737 ppm2      4.414 CV     1
 OR {  916}
   (( segid "   A" and resid 284  and name HD1 ))
   (( segid "   A" and resid 284  and name HA  ))
 ASSI {  917}
   (( segid "   A" and resid 248  and name HD2 ))
   (( segid "   A" and resid 248  and name HA  ))
      6.000     4.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.56677E-02 ppm1      1.590 ppm2      4.417 CV     1
 OR {  917}
   (( segid "   A" and resid 248  and name HD1 ))
   (( segid "   A" and resid 248  and name HA  ))
 ASSI {  918}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 248  and name HA  ))
      6.000     4.500     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.57877E-03 ppm1      1.332 ppm2      4.411 CV     1
 OR {  918}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 250  and name HA  ))
 ASSI {  919}
   (( segid "   A" and resid 250  and name HG2 ))
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      1.474 ppm2      4.411 CV     1
 ASSI {  920}
   (( segid "   A" and resid 284  and name HG1 ))
   (( segid "   A" and resid 284  and name HA  ))
      6.000     4.500     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.23566E-02 ppm1      1.531 ppm2      4.411 CV     1
 OR {  920}
   (( segid "   A" and resid 284  and name HG2 ))
   (( segid "   A" and resid 284  and name HA  ))
 ASSI {  921}
   (( segid "   A" and resid 248  and name HG2 ))
   (( segid "   A" and resid 248  and name HA  ))
      6.000     4.500     0.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.78708E-02 ppm1      1.358 ppm2      4.411 CV     1
 OR {  921}
   (( segid "   A" and resid 248  and name HG1 ))
   (( segid "   A" and resid 248  and name HA  ))
 ASSI {  922}
   (  segid "   A" and resid 245  and name HG2%)
   (( segid "   A" and resid 246  and name HA  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.34300E-02 ppm1      1.235 ppm2      4.413 CV     1
 ASSI {  923}
   (  segid "   A" and resid 246  and name HG2%)
   (( segid "   A" and resid 246  and name HA  ))
      6.000     4.500     0.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.19339E-01 ppm1      1.182 ppm2      4.424 CV     1
 ASSI {  924}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.13675E-02 ppm1      0.778 ppm2      4.419 CV     1
 ASSI {  925}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 284  and name HA  ))
      6.000     4.500     0.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.42689E-02 ppm1      0.958 ppm2      4.402 CV     1
 ASSI {  926}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 284  and name HA  ))
      6.000     4.500     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.10311E-02 ppm1      0.739 ppm2      4.408 CV     1
 ASSI {  927}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.93107E-03 ppm1      4.166 ppm2      4.377 CV     1
 ASSI {  928}
   (( segid "   A" and resid 242  and name HA  ))
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.11621E-02 ppm1      4.706 ppm2      4.391 CV     1
 OR {  928}
   (( segid "   A" and resid 242  and name HA  ))
   (( segid "   A" and resid 248  and name HA  ))
 ASSI {  929}
   (( segid "   A" and resid 244  and name HD2 ))
   (( segid "   A" and resid 244  and name HA  ))
      6.000     4.500     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.67206E-03 ppm1      4.072 ppm2      4.393 CV     1
 ASSI {  930}
   (( segid "   A" and resid 156  and name HA  ))
   (( segid "   A" and resid 143  and name HA  ))
      6.000     4.500     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.17923E-02 ppm1      4.767 ppm2      4.395 CV     1
 ASSI {  931}
   (( segid "   A" and resid 123  and name HB2 ))
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.84989E-03 ppm1      1.926 ppm2      4.384 CV     1
 ASSI {  932}
   (( segid "   A" and resid 123  and name HB1 ))
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      1.370 ppm2      4.389 CV     1
 ASSI {  933}
   (( segid "   A" and resid 130  and name HG2 ))
   (( segid "   A" and resid 126  and name HA  ))
      6.000     4.500     0.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.74092E-03 ppm1      2.538 ppm2      4.374 CV     1
 OR {  933}
   (( segid "   A" and resid 200  and name HG1 ))
   (( segid "   A" and resid 199  and name HA  ))
 ASSI {  934}
   (( segid "   A" and resid 244  and name HB1 ))
   (( segid "   A" and resid 244  and name HA  ))
      6.000     4.500     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.69703E-02 ppm1      2.342 ppm2      4.382 CV     1
 ASSI {  935}
   (( segid "   A" and resid 244  and name HB2 ))
   (( segid "   A" and resid 244  and name HA  ))
      6.000     4.500     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.51488E-02 ppm1      2.026 ppm2      4.371 CV     1
 ASSI {  936}
   (( segid "   A" and resid 244  and name HG1 ))
   (( segid "   A" and resid 244  and name HA  ))
      6.000     4.500     0.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.32506E-02 ppm1      2.071 ppm2      4.381 CV     1
 OR {  936}
   (( segid "   A" and resid 244  and name HG2 ))
   (( segid "   A" and resid 244  and name HA  ))
 ASSI {  937}
   (( segid "   A" and resid 123  and name HG  ))
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.88243E-03 ppm1      1.821 ppm2      4.388 CV     1
 ASSI {  938}
   (  segid "   A" and resid 123  and name HD2%)
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.31241E-02 ppm1      0.950 ppm2      4.385 CV     1
 ASSI {  939}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.12518E-01 ppm1      0.929 ppm2      4.388 CV     1
 ASSI {  940}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      1.317 ppm2      4.382 CV     1
 ASSI {  941}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.16550E-02 ppm1      0.690 ppm2      4.377 CV     1
 ASSI {  942}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 199  and name HA  ))
      6.000     4.500     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.71703E-02 ppm1      1.558 ppm2      4.388 CV     1
 ASSI {  943}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 143  and name HA  ))
      6.000     4.500     0.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.13642E-02 ppm1      0.592 ppm2      4.390 CV     1
 ASSI {  944}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 199  and name HA  ))
      6.000     4.500     0.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.15761E-02 ppm1      0.921 ppm2      4.388 CV     1
 ASSI {  945}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 143  and name HA  ))
      6.000     4.500     0.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.16939E-02 ppm1      1.273 ppm2      4.396 CV     1
 ASSI {  946}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.72319E-03 ppm1      0.235 ppm2      4.396 CV     1
 OR {  946}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 143  and name HA  ))
 ASSI {  947}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.90189E-03 ppm1      0.484 ppm2      4.380 CV     1
 ASSI {  948}
   (( segid "   A" and resid 183  and name HA  ))
   (( segid "   A" and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.15815E-02 ppm1      4.657 ppm2      4.346 CV     1
 ASSI {  949}
   (( segid "   A" and resid 224  and name HB1 ))
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.52980E-02 ppm1      2.983 ppm2      4.352 CV     1
 ASSI {  950}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 223  and name HA  ))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.20291E-02 ppm1      2.840 ppm2      4.351 CV     1
 OR {  950}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 223  and name HA  ))
 ASSI {  951}
   (( segid "   A" and resid 223  and name HB2 ))
   (( segid "   A" and resid 223  and name HA  ))
      6.000     4.500     0.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.40019E-02 ppm1      2.486 ppm2      4.351 CV     1
 ASSI {  954}
   (( segid "   A" and resid 181  and name HG1 ))
   (( segid "   A" and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.36300E-02 ppm1      1.553 ppm2      4.355 CV     1
 OR {  954}
   (( segid "   A" and resid 181  and name HG2 ))
   (( segid "   A" and resid 118  and name HB2 ))
 ASSI {  955}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 223  and name HA  ))
      6.000     4.500     0.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.62493E-03 ppm1     -0.082 ppm2      4.366 CV     1
 OR {  955}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 224  and name HA  ))
 ASSI {  956}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak   956 spectrum    1 weight  0.10000E+01 volume  0.10659E-02 ppm1      0.693 ppm2      4.355 CV     1
 ASSI {  957}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 288  and name HA  ))
      6.000     4.500     0.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.31403E-02 ppm1      1.146 ppm2      4.347 CV     1
 ASSI {  958}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 126  and name HA  ))
      6.000     4.500     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.16864E-02 ppm1      0.740 ppm2      4.346 CV     1
 OR {  958}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 126  and name HA  ))
 ASSI {  959}
   (( segid "   A" and resid 175  and name HB2 ))
   (( segid "   A" and resid 175  and name HA  ))
      6.000     4.500     0.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.95377E-02 ppm1      4.059 ppm2      4.335 CV     1
 ASSI {  960}
   (( segid "   A" and resid 175  and name HB1 ))
   (( segid "   A" and resid 175  and name HA  ))
      6.000     4.500     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.14561E-01 ppm1      4.008 ppm2      4.337 CV     1
 ASSI {  962}
   (( segid "   A" and resid 205  and name HA  ))
   (( segid "   A" and resid 288  and name HA  ))
      6.000     4.500     0.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      3.856 ppm2      4.338 CV     1
 ASSI {  963}
   (( segid "   A" and resid 129  and name HD2 ))
   (( segid "   A" and resid 126  and name HA  ))
      6.000     4.500     0.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.78903E-03 ppm1      3.331 ppm2      4.337 CV     1
 ASSI {  964}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.16820E-02 ppm1      2.215 ppm2      4.320 CV     1
 OR {  964}
   (( segid "   A" and resid 256  and name HG1 ))
   (( segid "   A" and resid 236  and name HA  ))
 ASSI {  965}
   (( segid "   A" and resid 278  and name HG2 ))
   (( segid "   A" and resid 278  and name HA  ))
      6.000     4.500     0.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.34236E-02 ppm1      2.327 ppm2      4.327 CV     1
 ASSI {  966}
   (( segid "   A" and resid 278  and name HG1 ))
   (( segid "   A" and resid 278  and name HA  ))
      6.000     4.500     0.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.32030E-02 ppm1      2.234 ppm2      4.329 CV     1
 ASSI {  967}
   (( segid "   A" and resid 216  and name HB  ))
   (( segid "   A" and resid 251  and name HA2 ))
      6.000     4.500     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.54613E-03 ppm1      1.288 ppm2      4.321 CV     1
 ASSI {  968}
   (( segid "   A" and resid 288  and name HB1 ))
   (( segid "   A" and resid 288  and name HA  ))
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.73887E-03 ppm1      2.064 ppm2      4.333 CV     1
 ASSI {  969}
   (( segid "   A" and resid 129  and name HB2 ))
   (( segid "   A" and resid 126  and name HA  ))
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.29047E-02 ppm1      1.963 ppm2      4.321 CV     1
 OR {  969}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 236  and name HA  ))
 ASSI {  970}
   (( segid "   A" and resid 129  and name HG1 ))
   (( segid "   A" and resid 126  and name HA  ))
      6.000     4.500     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.70255E-03 ppm1      1.522 ppm2      4.334 CV     1
 OR {  970}
   (( segid "   A" and resid 129  and name HG2 ))
   (( segid "   A" and resid 126  and name HA  ))
 ASSI {  972}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      1.042 ppm2      4.335 CV     1
 OR {  972}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 224  and name HA  ))
 ASSI {  973}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.14842E-02 ppm1      0.698 ppm2      4.317 CV     1
 OR {  973}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 273  and name HA  ))
 ASSI {  974}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 175  and name HA  ))
      6.000     4.500     0.000 peak   974 spectrum    1 weight  0.10000E+01 volume  0.11253E-02 ppm1      0.884 ppm2      4.332 CV     1
 ASSI {  975}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.99637E-03 ppm1      0.611 ppm2      4.338 CV     1
 OR {  975}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 223  and name HA  ))
 ASSI {  976}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 139  and name HA  ))
      6.000     4.500     0.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      0.532 ppm2      4.322 CV     1
 ASSI {  977}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.80773E-03 ppm1      0.634 ppm2      4.340 CV     1
 OR {  977}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 223  and name HA  ))
 ASSI {  979}
   (( segid "   A" and resid 251  and name HA1 ))
   (( segid "   A" and resid 251  and name HA2 ))
      6.000     4.500     0.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.28420E-02 ppm1      4.116 ppm2      4.309 CV     1
 ASSI {  980}
   (( segid "   A" and resid 273  and name HB1 ))
   (( segid "   A" and resid 273  and name HA  ))
      6.000     4.500     0.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.83811E-03 ppm1      3.298 ppm2      4.292 CV     1
 ASSI {  981}
   (( segid "   A" and resid 274  and name HB1 ))
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.12205E-02 ppm1      2.204 ppm2      4.303 CV     1
 ASSI {  982}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 139  and name HA  ))
      6.000     4.500     0.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.22842E-02 ppm1      1.418 ppm2      4.309 CV     1
 ASSI {  983}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak   983 spectrum    1 weight  0.10000E+01 volume  0.37911E-02 ppm1      1.501 ppm2      4.298 CV     1
 ASSI {  984}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.39857E-02 ppm1      1.691 ppm2      4.294 CV     1
 ASSI {  985}
   (( segid "   A" and resid 278  and name HB2 ))
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.65477E-02 ppm1      2.118 ppm2      4.300 CV     1
 ASSI {  986}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      1.054 ppm2      4.294 CV     1
 OR {  986}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 273  and name HA  ))
 ASSI {  987}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 251  and name HA2 ))
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.12572E-02 ppm1      0.374 ppm2      4.312 CV     1
 ASSI {  990}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.92967E-03 ppm1      2.118 ppm2      4.279 CV     1
 OR {  990}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 234  and name HA  ))
 ASSI {  991}
   (( segid "   A" and resid 234  and name HD1 ))
   (( segid "   A" and resid 234  and name HA  ))
      6.000     4.500     0.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.41240E-02 ppm1      1.720 ppm2      4.273 CV     1
 ASSI {  992}
   (( segid "   A" and resid 234  and name HD2 ))
   (( segid "   A" and resid 234  and name HA  ))
      6.000     4.500     0.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.37738E-02 ppm1      1.593 ppm2      4.277 CV     1
 ASSI {  993}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.85151E-02 ppm1      1.352 ppm2      4.286 CV     1
 OR {  993}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 236  and name HA  ))
 ASSI {  994}
   (  segid "   A" and resid 246  and name HG2%)
   (( segid "   A" and resid 246  and name HB  ))
      6.000     4.500     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.28009E-01 ppm1      1.182 ppm2      4.265 CV     1
 ASSI {  995}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak   995 spectrum    1 weight  0.10000E+01 volume  0.13956E-02 ppm1      0.571 ppm2      4.280 CV     1
 OR {  995}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 234  and name HA  ))
 ASSI {  996}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.62299E-03 ppm1      0.220 ppm2      4.277 CV     1
 OR {  996}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 234  and name HA  ))
 ASSI {  997}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 273  and name HA  ))
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.12205E-02 ppm1      0.182 ppm2      4.284 CV     1
 ASSI {  998}
   (( segid "   A" and resid 265  and name HB1 ))
   (( segid "   A" and resid 265  and name HA  ))
      6.000     4.500     0.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.17015E-02 ppm1      2.762 ppm2      4.239 CV     1
 ASSI {  999}
   (( segid "   A" and resid 232  and name HB1 ))
   (( segid "   A" and resid 232  and name HA  ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.11091E-02 ppm1      3.434 ppm2      4.240 CV     1
 ASSI { 1000}
   (( segid "   A" and resid 234  and name HB2 ))
   (( segid "   A" and resid 234  and name HA  ))
      6.000     4.500     0.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.61153E-02 ppm1      1.777 ppm2      4.253 CV     1
 OR { 1000}
   (( segid "   A" and resid 234  and name HB1 ))
   (( segid "   A" and resid 234  and name HA  ))
 ASSI { 1001}
   (( segid "   A" and resid 234  and name HG2 ))
   (( segid "   A" and resid 234  and name HA  ))
      6.000     4.500     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.41576E-02 ppm1      1.479 ppm2      4.255 CV     1
 ASSI { 1002}
   (( segid "   A" and resid 288  and name HD1 ))
   (( segid "   A" and resid 287  and name HB  ))
      6.000     4.500     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      3.545 ppm2      4.219 CV     1
 ASSI { 1003}
   (( segid "   A" and resid 247  and name HA2 ))
   (( segid "   A" and resid 247  and name HA1 ))
      6.000     4.500     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.49521E-02 ppm1      3.760 ppm2      4.214 CV     1
 ASSI { 1004}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 227  and name HA  ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      2.843 ppm2      4.223 CV     1
 OR { 1004}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 227  and name HA  ))
 ASSI { 1005}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 227  and name HA  ))
      6.000     4.500     0.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.21761E-02 ppm1      2.560 ppm2      4.232 CV     1
 OR { 1005}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 227  and name HA  ))
 OR { 1005}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 232  and name HA  ))
 ASSI { 1006}
   (( segid "   A" and resid 288  and name HG1 ))
   (( segid "   A" and resid 287  and name HB  ))
      6.000     4.500     0.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.83130E-03 ppm1      2.306 ppm2      4.222 CV     1
 ASSI { 1008}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 265  and name HA  ))
      6.000     4.500     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.13869E-02 ppm1      1.246 ppm2      4.228 CV     1
 OR { 1008}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 232  and name HA  ))
 ASSI { 1009}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 161  and name HA  ))
      6.000     4.500     0.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.29036E-01 ppm1      1.440 ppm2      4.222 CV     1
 OR { 1009}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 287  and name HB  ))
 OR { 1009}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 287  and name HB  ))
 ASSI { 1010}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 221  and name HB2 ))
      6.000     4.500     0.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.14583E-01 ppm1      3.944 ppm2      4.192 CV     1
 ASSI { 1012}
   (( segid "   A" and resid 268  and name HB1 ))
   (( segid "   A" and resid 268  and name HA  ))
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.10454E-01 ppm1      3.945 ppm2      4.206 CV     1
 ASSI { 1013}
   (( segid "   A" and resid 268  and name HB2 ))
   (( segid "   A" and resid 268  and name HA  ))
      6.000     4.500     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.12086E-01 ppm1      3.915 ppm2      4.199 CV     1
 ASSI { 1014}
   (( segid "   A" and resid 215  and name HA  ))
   (( segid "   A" and resid 215  and name HB2 ))
      6.000     4.500     0.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.30149E-02 ppm1      3.847 ppm2      4.186 CV     1
 ASSI { 1017}
   (( segid "   A" and resid 288  and name HD2 ))
   (( segid "   A" and resid 287  and name HB  ))
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.76254E-03 ppm1      3.919 ppm2      4.199 CV     1
 ASSI { 1018}
   (( segid "   A" and resid 229  and name HB2 ))
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.65639E-03 ppm1      2.800 ppm2      4.180 CV     1
 ASSI { 1019}
   (( segid "   A" and resid 161  and name HG1 ))
   (( segid "   A" and resid 161  and name HA  ))
      6.000     4.500     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.27317E-02 ppm1      2.250 ppm2      4.200 CV     1
 OR { 1019}
   (( segid "   A" and resid 161  and name HG2 ))
   (( segid "   A" and resid 161  and name HA  ))
 ASSI { 1020}
   (( segid "   A" and resid 161  and name HB2 ))
   (( segid "   A" and resid 161  and name HA  ))
      6.000     4.500     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.26723E-02 ppm1      2.222 ppm2      4.195 CV     1
 ASSI { 1021}
   (( segid "   A" and resid 161  and name HB1 ))
   (( segid "   A" and resid 161  and name HA  ))
      6.000     4.500     0.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.26139E-02 ppm1      1.966 ppm2      4.197 CV     1
 ASSI { 1022}
   (( segid "   A" and resid 206  and name HB1 ))
   (( segid "   A" and resid 206  and name HA  ))
      6.000     4.500     0.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.74038E-02 ppm1      1.987 ppm2      4.184 CV     1
 OR { 1022}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 206  and name HA  ))
 ASSI { 1023}
   (( segid "   A" and resid 206  and name HG2 ))
   (( segid "   A" and resid 206  and name HA  ))
      6.000     4.500     0.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.45359E-02 ppm1      1.747 ppm2      4.184 CV     1
 ASSI { 1024}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 287  and name HB  ))
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.95323E-03 ppm1      0.792 ppm2      4.184 CV     1
 ASSI { 1025}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 221  and name HB2 ))
      6.000     4.500     0.000 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.11588E-02 ppm1     -0.085 ppm2      4.189 CV     1
 ASSI { 1026}
   (  segid "   A" and resid 201  and name HD2%)
   (( segid "   A" and resid 287  and name HB  ))
      6.000     4.500     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.66968E-02 ppm1      0.814 ppm2      4.193 CV     1
 ASSI { 1028}
   (  segid "   A" and resid 287  and name HG2%)
   (( segid "   A" and resid 287  and name HB  ))
      6.000     4.500     0.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.76481E-02 ppm1      1.079 ppm2      4.190 CV     1
 ASSI { 1029}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 268  and name HA  ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.32463E-02 ppm1      0.958 ppm2      4.198 CV     1
 ASSI { 1030}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 131  and name HA  ))
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.20755E-02 ppm1      1.385 ppm2      4.193 CV     1
 ASSI { 1031}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      0.676 ppm2      4.193 CV     1
 ASSI { 1032}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.79887E-03 ppm1     -0.128 ppm2      4.183 CV     1
 ASSI { 1033}
   (( segid "   A" and resid 128  and name HA  ))
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.62688E-03 ppm1      3.716 ppm2      4.175 CV     1
 OR { 1033}
   (( segid "   A" and resid 128  and name HA  ))
   (( segid "   A" and resid 131  and name HA  ))
 ASSI { 1034}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 206  and name HA  ))
      6.000     4.500     0.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.41965E-02 ppm1      3.265 ppm2      4.172 CV     1
 OR { 1034}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 206  and name HA  ))
 ASSI { 1035}
   (( segid "   A" and resid 123  and name HB1 ))
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.73498E-03 ppm1      1.377 ppm2      4.166 CV     1
 ASSI { 1036}
   (( segid "   A" and resid 229  and name HB1 ))
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.49543E-03 ppm1      3.457 ppm2      4.177 CV     1
 ASSI { 1037}
   (( segid "   A" and resid 193  and name HG2 ))
   (( segid "   A" and resid 193  and name HA  ))
      6.000     4.500     0.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.11567E-01 ppm1      2.414 ppm2      4.166 CV     1
 OR { 1037}
   (( segid "   A" and resid 193  and name HG1 ))
   (( segid "   A" and resid 193  and name HA  ))
 ASSI { 1038}
   (( segid "   A" and resid 193  and name HB1 ))
   (( segid "   A" and resid 193  and name HA  ))
      6.000     4.500     0.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.93378E-02 ppm1      2.147 ppm2      4.156 CV     1
 ASSI { 1039}
   (( segid "   A" and resid 193  and name HB2 ))
   (( segid "   A" and resid 193  and name HA  ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.60061E-02 ppm1      2.070 ppm2      4.174 CV     1
 ASSI { 1040}
   (( segid "   A" and resid 206  and name HG1 ))
   (( segid "   A" and resid 206  and name HA  ))
      6.000     4.500     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.36852E-02 ppm1      1.996 ppm2      4.179 CV     1
 ASSI { 1041}
   (  segid "   A" and resid 123  and name HD2%)
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.19264E-02 ppm1      0.950 ppm2      4.159 CV     1
 ASSI { 1042}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 215  and name HB2 ))
      6.000     4.500     0.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      0.866 ppm2      4.179 CV     1
 ASSI { 1043}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.40300E-02 ppm1      0.927 ppm2      4.155 CV     1
 OR { 1043}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 112  and name HA  ))
 ASSI { 1044}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.15318E-01 ppm1      1.317 ppm2      4.162 CV     1
 ASSI { 1045}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      0.474 ppm2      4.164 CV     1
 ASSI { 1046}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      0.613 ppm2      4.155 CV     1
 ASSI { 1047}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.11988E-02 ppm1      0.183 ppm2      4.173 CV     1
 ASSI { 1048}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.14410E-02 ppm1      0.485 ppm2      4.159 CV     1
 ASSI { 1050}
   (( segid "   A" and resid 122  and name HG1 ))
   (( segid "   A" and resid 122  and name HA  ))
      6.000     4.500     0.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.24561E-02 ppm1      1.820 ppm2      4.131 CV     1
 ASSI { 1051}
   (( segid "   A" and resid 122  and name HG2 ))
   (( segid "   A" and resid 122  and name HA  ))
      6.000     4.500     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.14421E-02 ppm1      1.731 ppm2      4.130 CV     1
 ASSI { 1052}
   (( segid "   A" and resid 128  and name HB  ))
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.54613E-03 ppm1      2.013 ppm2      4.151 CV     1
 OR { 1052}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 112  and name HA  ))
 OR { 1052}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 112  and name HA  ))
 ASSI { 1053}
   (( segid "   A" and resid 163  and name HB1 ))
   (( segid "   A" and resid 163  and name HA  ))
      6.000     4.500     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.19231E-02 ppm1      1.700 ppm2      4.134 CV     1
 ASSI { 1054}
   (( segid "   A" and resid 122  and name HB1 ))
   (( segid "   A" and resid 122  and name HA  ))
      6.000     4.500     0.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.13340E-02 ppm1      1.552 ppm2      4.135 CV     1
 ASSI { 1055}
   (( segid "   A" and resid 112  and name HB1 ))
   (( segid "   A" and resid 112  and name HA  ))
      6.000     4.500     0.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.12929E-02 ppm1      3.561 ppm2      4.137 CV     1
 ASSI { 1056}
   (( segid "   A" and resid 112  and name HB2 ))
   (( segid "   A" and resid 112  and name HA  ))
      6.000     4.500     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      3.041 ppm2      4.130 CV     1
 ASSI { 1057}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 241  and name HA  ))
      6.000     4.500     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.66623E-03 ppm1      1.331 ppm2      4.135 CV     1
 ASSI { 1058}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 251  and name HA1 ))
      6.000     4.500     0.000 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      0.669 ppm2      4.139 CV     1
 ASSI { 1059}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 163  and name HA  ))
      6.000     4.500     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.61607E-03 ppm1      0.777 ppm2      4.133 CV     1
 OR { 1059}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 112  and name HA  ))
 ASSI { 1060}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 251  and name HA1 ))
      6.000     4.500     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.15837E-02 ppm1      0.372 ppm2      4.132 CV     1
 ASSI { 1061}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 241  and name HA  ))
      6.000     4.500     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.16453E-01 ppm1      0.777 ppm2      4.132 CV     1
 ASSI { 1062}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 163  and name HA  ))
      6.000     4.500     0.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.16939E-02 ppm1      0.553 ppm2      4.143 CV     1
 ASSI { 1063}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 163  and name HA  ))
      6.000     4.500     0.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.29522E-02 ppm1      1.964 ppm2      4.145 CV     1
 OR { 1063}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 112  and name HA  ))
 ASSI { 1064}
   (( segid "   A" and resid 151  and name HE1 ))
   (( segid "   A" and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.28106E-02 ppm1      2.735 ppm2      4.108 CV     1
 OR { 1064}
   (( segid "   A" and resid 151  and name HE2 ))
   (( segid "   A" and resid 149  and name HB  ))
 ASSI { 1065}
   (( segid "   A" and resid 200  and name HG1 ))
   (( segid "   A" and resid 200  and name HA  ))
      6.000     4.500     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.39911E-02 ppm1      2.545 ppm2      4.114 CV     1
 ASSI { 1066}
   (( segid "   A" and resid 200  and name HG2 ))
   (( segid "   A" and resid 200  and name HA  ))
      6.000     4.500     0.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.41024E-02 ppm1      2.348 ppm2      4.118 CV     1
 ASSI { 1067}
   (( segid "   A" and resid 216  and name HB  ))
   (( segid "   A" and resid 251  and name HA1 ))
      6.000     4.500     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.50516E-03 ppm1      1.285 ppm2      4.118 CV     1
 ASSI { 1068}
   (( segid "   A" and resid 151  and name HD1 ))
   (( segid "   A" and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.12778E-02 ppm1      1.378 ppm2      4.114 CV     1
 OR { 1068}
   (( segid "   A" and resid 151  and name HD1 ))
   (( segid "   A" and resid 149  and name HA  ))
 ASSI { 1069}
   (( segid "   A" and resid 151  and name HD2 ))
   (( segid "   A" and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      1.301 ppm2      4.111 CV     1
 ASSI { 1070}
   (( segid "   A" and resid 200  and name HB1 ))
   (( segid "   A" and resid 200  and name HA  ))
      6.000     4.500     0.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.42635E-02 ppm1      2.258 ppm2      4.118 CV     1
 ASSI { 1071}
   (( segid "   A" and resid 151  and name HG2 ))
   (( segid "   A" and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.12994E-02 ppm1      1.202 ppm2      4.105 CV     1
 OR { 1071}
   (( segid "   A" and resid 151  and name HG1 ))
   (( segid "   A" and resid 149  and name HB  ))
 ASSI { 1072}
   (  segid "   A" and resid 207  and name HB% )
   (( segid "   A" and resid 207  and name HA  ))
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.25685E-01 ppm1      1.147 ppm2      4.105 CV     1
 ASSI { 1073}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 122  and name HA  ))
      6.000     4.500     0.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.14842E-02 ppm1      0.688 ppm2      4.117 CV     1
 ASSI { 1074}
   (  segid "   A" and resid 150  and name HE% )
   (( segid "   A" and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.31879E-02 ppm1      2.012 ppm2      4.114 CV     1
 OR { 1074}
   (  segid "   A" and resid 150  and name HE% )
   (( segid "   A" and resid 149  and name HB  ))
 ASSI { 1075}
   (( segid "   A" and resid 240  and name HA  ))
   (( segid "   A" and resid 253  and name HA2 ))
      6.000     4.500     0.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.15113E-02 ppm1      4.578 ppm2      4.070 CV     1
 ASSI { 1076}
   (( segid "   A" and resid 137  and name HD1 ))
   (( segid "   A" and resid 136  and name HA2 ))
      6.000     4.500     0.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.93659E-03 ppm1      3.476 ppm2      4.096 CV     1
 ASSI { 1077}
   (( segid "   A" and resid 137  and name HD2 ))
   (( segid "   A" and resid 136  and name HA2 ))
      6.000     4.500     0.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.93107E-03 ppm1      3.199 ppm2      4.086 CV     1
 ASSI { 1079}
   (( segid "   A" and resid 250  and name HE2 ))
   (( segid "   A" and resid 244  and name HD2 ))
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.49921E-02 ppm1      2.958 ppm2      4.080 CV     1
 OR { 1079}
   (( segid "   A" and resid 250  and name HE2 ))
   (( segid "   A" and resid 136  and name HA2 ))
 ASSI { 1080}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 258  and name HA  ))
      6.000     4.500     0.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.43521E-02 ppm1      2.114 ppm2      4.080 CV     1
 ASSI { 1081}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 258  and name HA  ))
      6.000     4.500     0.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.75465E-03 ppm1      1.487 ppm2      4.082 CV     1
 OR { 1081}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 235  and name HA  ))
 ASSI { 1082}
   (( segid "   A" and resid 158  and name HB  ))
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.64461E-03 ppm1      1.416 ppm2      4.082 CV     1
 ASSI { 1083}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 258  and name HA  ))
      6.000     4.500     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.56050E-02 ppm1      1.948 ppm2      4.070 CV     1
 ASSI { 1084}
   (( segid "   A" and resid 258  and name HB1 ))
   (( segid "   A" and resid 258  and name HA  ))
      6.000     4.500     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.55812E-02 ppm1      2.197 ppm2      4.076 CV     1
 ASSI { 1086}
   (( segid "   A" and resid 141  and name HG11))
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.43359E-03 ppm1      0.826 ppm2      4.078 CV     1
 ASSI { 1087}
   (( segid "   A" and resid 234  and name HG2 ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      1.476 ppm2      4.071 CV     1
 OR { 1087}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 258  and name HA  ))
 OR { 1087}
   (( segid "   A" and resid 183  and name HG12))
   (( segid "   A" and resid 176  and name HA  ))
 OR { 1087}
   (( segid "   A" and resid 183  and name HG11))
   (( segid "   A" and resid 176  and name HA  ))
 ASSI { 1088}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 258  and name HA  ))
      6.000     4.500     0.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.36019E-02 ppm1      1.340 ppm2      4.076 CV     1
 OR { 1088}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 258  and name HA  ))
 ASSI { 1089}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 253  and name HA2 ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.86016E-03 ppm1     -0.084 ppm2      4.092 CV     1
 ASSI { 1090}
   (  segid "   A" and resid 149  and name HG2%)
   (( segid "   A" and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.30020E-01 ppm1      1.094 ppm2      4.097 CV     1
 ASSI { 1091}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 253  and name HA2 ))
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.13405E-02 ppm1      0.407 ppm2      4.080 CV     1
 ASSI { 1092}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.41749E-02 ppm1      0.129 ppm2      4.085 CV     1
 ASSI { 1093}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.36462E-02 ppm1      0.031 ppm2      4.085 CV     1
 ASSI { 1094}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 136  and name HA2 ))
      6.000     4.500     0.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.21317E-02 ppm1      0.647 ppm2      4.095 CV     1
 ASSI { 1095}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.28766E-01 ppm1      1.438 ppm2      4.093 CV     1
 ASSI { 1096}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.19318E-02 ppm1      0.536 ppm2      4.077 CV     1
 OR { 1096}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 158  and name HA  ))
 ASSI { 1097}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.16118E-02 ppm1      0.594 ppm2      4.081 CV     1
 ASSI { 1098}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.29717E-02 ppm1      4.850 ppm2      4.050 CV     1
 ASSI { 1099}
   (( segid "   A" and resid 277  and name HA2 ))
   (( segid "   A" and resid 277  and name HA1 ))
      6.000     4.500     0.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.51251E-02 ppm1      3.560 ppm2      4.055 CV     1
 ASSI { 1100}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 203  and name HA  ))
      6.000     4.500     0.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.68925E-02 ppm1      3.265 ppm2      4.056 CV     1
 OR { 1100}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 203  and name HA  ))
 ASSI { 1101}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 244  and name HD2 ))
      6.000     4.500     0.000 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.53078E-03 ppm1      2.387 ppm2      4.051 CV     1
 ASSI { 1102}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.94350E-03 ppm1      2.837 ppm2      4.053 CV     1
 OR { 1102}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 235  and name HA  ))
 ASSI { 1103}
   (( segid "   A" and resid 235  and name HB  ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.87270E-03 ppm1      1.606 ppm2      4.069 CV     1
 ASSI { 1105}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 258  and name HA  ))
      6.000     4.500     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.55812E-02 ppm1      2.209 ppm2      4.066 CV     1
 ASSI { 1106}
   (( segid "   A" and resid 203  and name HG1 ))
   (( segid "   A" and resid 203  and name HA  ))
      6.000     4.500     0.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.62969E-02 ppm1      2.310 ppm2      4.064 CV     1
 ASSI { 1107}
   (( segid "   A" and resid 203  and name HG2 ))
   (( segid "   A" and resid 203  and name HA  ))
      6.000     4.500     0.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.61866E-02 ppm1      2.295 ppm2      4.063 CV     1
 ASSI { 1108}
   (( segid "   A" and resid 130  and name HG1 ))
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.79043E-02 ppm1      2.408 ppm2      4.044 CV     1
 ASSI { 1109}
   (( segid "   A" and resid 234  and name HB1 ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.10853E-02 ppm1      1.774 ppm2      4.061 CV     1
 OR { 1109}
   (( segid "   A" and resid 177  and name HB2 ))
   (( segid "   A" and resid 176  and name HA  ))
 OR { 1109}
   (( segid "   A" and resid 234  and name HB2 ))
   (( segid "   A" and resid 235  and name HA  ))
 OR { 1109}
   (( segid "   A" and resid 256  and name HB2 ))
   (( segid "   A" and resid 235  and name HA  ))
 ASSI { 1111}
   (( segid "   A" and resid 235  and name HG11))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.51759E-03 ppm1      0.033 ppm2      4.063 CV     1
 ASSI { 1112}
   (( segid "   A" and resid 206  and name HG1 ))
   (( segid "   A" and resid 203  and name HA  ))
      6.000     4.500     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.34906E-02 ppm1      1.999 ppm2      4.054 CV     1
 ASSI { 1114}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 253  and name HA2 ))
      6.000     4.500     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.44138E-02 ppm1      0.084 ppm2      4.059 CV     1
 ASSI { 1116}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.28733E-02 ppm1      0.573 ppm2      4.050 CV     1
 ASSI { 1117}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.20485E-02 ppm1      0.679 ppm2      4.052 CV     1
 ASSI { 1118}
   (( segid "   A" and resid 227  and name HA  ))
   (( segid "   A" and resid 227  and name HB2 ))
      6.000     4.500     0.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.49521E-02 ppm1      4.206 ppm2      4.020 CV     1
 ASSI { 1119}
   (( segid "   A" and resid 282  and name HA  ))
   (( segid "   A" and resid 283  and name HA2 ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.48980E-03 ppm1      5.378 ppm2      4.031 CV     1
 ASSI { 1121}
   (( segid "   A" and resid 162  and name HA  ))
   (( segid "   A" and resid 163  and name HD1 ))
      6.000     4.500     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.26690E-02 ppm1      4.858 ppm2      4.019 CV     1
 ASSI { 1124}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.85735E-03 ppm1      2.558 ppm2      4.030 CV     1
 OR { 1124}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 235  and name HA  ))
 ASSI { 1125}
   (( segid "   A" and resid 171  and name HG2 ))
   (( segid "   A" and resid 171  and name HA  ))
      6.000     4.500     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.43359E-02 ppm1      2.656 ppm2      4.028 CV     1
 ASSI { 1126}
   (( segid "   A" and resid 162  and name HB  ))
   (( segid "   A" and resid 163  and name HD1 ))
      6.000     4.500     0.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.22647E-02 ppm1      2.198 ppm2      4.026 CV     1
 ASSI { 1127}
   (( segid "   A" and resid 130  and name HG2 ))
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.48354E-02 ppm1      2.540 ppm2      4.017 CV     1
 ASSI { 1128}
   (( segid "   A" and resid 176  and name HB  ))
   (( segid "   A" and resid 176  and name HA  ))
      6.000     4.500     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.37965E-02 ppm1      2.066 ppm2      4.035 CV     1
 ASSI { 1129}
   (( segid "   A" and resid 134  and name HB1 ))
   (( segid "   A" and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.76049E-03 ppm1      0.293 ppm2      4.023 CV     1
 ASSI { 1130}
   (( segid "   A" and resid 171  and name HB2 ))
   (( segid "   A" and resid 171  and name HA  ))
      6.000     4.500     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.40354E-02 ppm1      2.043 ppm2      4.023 CV     1
 ASSI { 1131}
   (( segid "   A" and resid 130  and name HB1 ))
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.16561E-01 ppm1      2.168 ppm2      4.033 CV     1
 OR { 1131}
   (( segid "   A" and resid 130  and name HB2 ))
   (( segid "   A" and resid 130  and name HA  ))
 ASSI { 1132}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 227  and name HB1 ))
      6.000     4.500     0.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.11286E-02 ppm1      0.968 ppm2      4.026 CV     1
 OR { 1132}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 227  and name HB2 ))
 OR { 1132}
   (( segid "   A" and resid 281  and name HG2 ))
   (( segid "   A" and resid 168  and name HA  ))
 OR { 1132}
   (( segid "   A" and resid 281  and name HG2 ))
   (( segid "   A" and resid 134  and name HA  ))
 ASSI { 1133}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.40581E-02 ppm1      1.013 ppm2      4.019 CV     1
 ASSI { 1134}
   (( segid "   A" and resid 234  and name HG2 ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.12140E-02 ppm1      1.453 ppm2      4.026 CV     1
 OR { 1134}
   (( segid "   A" and resid 184  and name HG1 ))
   (( segid "   A" and resid 118  and name HB1 ))
 OR { 1134}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 262  and name HA  ))
 ASSI { 1135}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.14831E-01 ppm1      0.895 ppm2      4.017 CV     1
 ASSI { 1136}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 163  and name HD1 ))
      6.000     4.500     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.54472E-02 ppm1      1.059 ppm2      4.028 CV     1
 ASSI { 1137}
   (  segid "   A" and resid 176  and name HG1%)
   (( segid "   A" and resid 176  and name HA  ))
      6.000     4.500     0.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.11221E-01 ppm1      1.019 ppm2      4.037 CV     1
 ASSI { 1138}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 176  and name HA  ))
      6.000     4.500     0.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.11524E-01 ppm1      0.888 ppm2      4.040 CV     1
 ASSI { 1139}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.79000E-03 ppm1      1.346 ppm2      4.022 CV     1
 OR { 1139}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 171  and name HA  ))
 ASSI { 1140}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.11621E-02 ppm1      0.218 ppm2      4.036 CV     1
 ASSI { 1141}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.58483E-02 ppm1      1.607 ppm2      4.022 CV     1
 ASSI { 1142}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.12205E-02 ppm1      1.386 ppm2      4.031 CV     1
 OR { 1142}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 176  and name HA  ))
 OR { 1142}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 171  and name HA  ))
 OR { 1142}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 130  and name HA  ))
 OR { 1142}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 134  and name HA  ))
 OR { 1142}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 175  and name HB2 ))
 ASSI { 1143}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 227  and name HB1 ))
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.15231E-02 ppm1      0.185 ppm2      4.039 CV     1
 OR { 1143}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 227  and name HB2 ))
 ASSI { 1144}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 253  and name HA1 ))
      6.000     4.500     0.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.58083E-03 ppm1     -0.124 ppm2      4.031 CV     1
 OR { 1144}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 235  and name HA  ))
 ASSI { 1145}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 227  and name HB1 ))
      6.000     4.500     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.84502E-03 ppm1      0.632 ppm2      4.024 CV     1
 OR { 1145}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 227  and name HB2 ))
 ASSI { 1146}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.42581E-02 ppm1      4.165 ppm2      3.994 CV     1
 ASSI { 1147}
   (( segid "   A" and resid 118  and name HB2 ))
   (( segid "   A" and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.57153E-02 ppm1      4.344 ppm2      3.994 CV     1
 ASSI { 1148}
   (( segid "   A" and resid 262  and name HB1 ))
   (( segid "   A" and resid 262  and name HA  ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.67206E-03 ppm1      3.479 ppm2      4.002 CV     1
 ASSI { 1149}
   (( segid "   A" and resid 262  and name HB2 ))
   (( segid "   A" and resid 262  and name HA  ))
      6.000     4.500     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.86848E-03 ppm1      2.859 ppm2      4.001 CV     1
 ASSI { 1150}
   (( segid "   A" and resid 183  and name HA  ))
   (( segid "   A" and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.23544E-02 ppm1      4.657 ppm2      4.002 CV     1
 ASSI { 1152}
   (( segid "   A" and resid 184  and name HA  ))
   (( segid "   A" and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.67304E-03 ppm1      4.944 ppm2      4.014 CV     1
 OR { 1152}
   (( segid "   A" and resid 270  and name HA  ))
   (( segid "   A" and resid 227  and name HB1 ))
 OR { 1152}
   (( segid "   A" and resid 184  and name HA  ))
   (( segid "   A" and resid 171  and name HA  ))
 OR { 1152}
   (( segid "   A" and resid 270  and name HA  ))
   (( segid "   A" and resid 227  and name HB2 ))
 ASSI { 1153}
   (( segid "   A" and resid 163  and name HD2 ))
   (( segid "   A" and resid 163  and name HD1 ))
      6.000     4.500     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.14442E-02 ppm1      3.593 ppm2      4.013 CV     1
 ASSI { 1154}
   (( segid "   A" and resid 168  and name HB2 ))
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.79000E-03 ppm1      1.873 ppm2      4.010 CV     1
 ASSI { 1155}
   (( segid "   A" and resid 168  and name HB1 ))
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.11642E-02 ppm1      1.525 ppm2      4.014 CV     1
 ASSI { 1156}
   (( segid "   A" and resid 191  and name HB  ))
   (( segid "   A" and resid 191  and name HA  ))
      6.000     4.500     0.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      1.878 ppm2      4.006 CV     1
 ASSI { 1157}
   (( segid "   A" and resid 184  and name HB1 ))
   (( segid "   A" and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.51694E-03 ppm1      1.601 ppm2      4.009 CV     1
 OR { 1157}
   (( segid "   A" and resid 184  and name HB1 ))
   (( segid "   A" and resid 118  and name HA  ))
 ASSI { 1158}
   (( segid "   A" and resid 191  and name HG12))
   (( segid "   A" and resid 191  and name HA  ))
      6.000     4.500     0.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.23404E-02 ppm1      1.438 ppm2      4.008 CV     1
 ASSI { 1159}
   (( segid "   A" and resid 191  and name HG11))
   (( segid "   A" and resid 191  and name HA  ))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.14345E-02 ppm1      1.246 ppm2      4.013 CV     1
 ASSI { 1160}
   (( segid "   A" and resid 108  and name HG  ))
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.33133E-02 ppm1      1.720 ppm2      4.011 CV     1
 ASSI { 1161}
   (( segid "   A" and resid 244  and name HG2 ))
   (( segid "   A" and resid 244  and name HD1 ))
      6.000     4.500     0.000 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.62104E-02 ppm1      2.070 ppm2      4.014 CV     1
 OR { 1161}
   (( segid "   A" and resid 244  and name HG1 ))
   (( segid "   A" and resid 244  and name HD1 ))
 ASSI { 1162}
   (  segid "   A" and resid 108  and name HD2%)
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.15545E-01 ppm1      0.867 ppm2      3.997 CV     1
 ASSI { 1163}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.11048E-01 ppm1      1.317 ppm2      3.990 CV     1
 ASSI { 1164}
   (  segid "   A" and resid 191  and name HG2%)
   (( segid "   A" and resid 191  and name HA  ))
      6.000     4.500     0.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.10156E-01 ppm1      0.892 ppm2      4.002 CV     1
 ASSI { 1165}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.81151E-02 ppm1      0.838 ppm2      4.007 CV     1
 OR { 1165}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 191  and name HA  ))
 ASSI { 1166}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.41467E-02 ppm1      1.964 ppm2      3.989 CV     1
 ASSI { 1167}
   (  segid "   A" and resid 191  and name HD1%)
   (( segid "   A" and resid 191  and name HA  ))
      6.000     4.500     0.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.10298E-01 ppm1      0.842 ppm2      4.011 CV     1
 ASSI { 1168}
   (( segid "   A" and resid 108  and name HB1 ))
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.22928E-02 ppm1      1.801 ppm2      3.969 CV     1
 ASSI { 1169}
   (( segid "   A" and resid 108  and name HB2 ))
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.26885E-02 ppm1      1.470 ppm2      3.986 CV     1
 ASSI { 1170}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 201  and name HA  ))
      6.000     4.500     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.32863E-02 ppm1      0.790 ppm2      3.966 CV     1
 ASSI { 1172}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      0.486 ppm2      3.985 CV     1
 OR { 1172}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 118  and name HA  ))
 OR { 1172}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 118  and name HB1 ))
 ASSI { 1174}
   (( segid "   A" and resid 267  and name HA  ))
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.59131E-03 ppm1      3.467 ppm2      3.954 CV     1
 OR { 1174}
   (( segid "   A" and resid 267  and name HA  ))
   (( segid "   A" and resid 268  and name HB1 ))
 OR { 1174}
   (( segid "   A" and resid 267  and name HA  ))
   (( segid "   A" and resid 268  and name HB2 ))
 ASSI { 1175}
   (( segid "   A" and resid 265  and name HA  ))
   (( segid "   A" and resid 268  and name HB1 ))
      6.000     4.500     0.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.37911E-02 ppm1      4.243 ppm2      3.937 CV     1
 ASSI { 1177}
   (( segid "   A" and resid 194  and name HA  ))
   (( segid "   A" and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.92545E-03 ppm1      4.488 ppm2      3.933 CV     1
 ASSI { 1178}
   (( segid "   A" and resid 137  and name HD2 ))
   (( segid "   A" and resid 136  and name HA1 ))
      6.000     4.500     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.71628E-03 ppm1      3.185 ppm2      3.934 CV     1
 ASSI { 1179}
   (( segid "   A" and resid 201  and name HB2 ))
   (( segid "   A" and resid 201  and name HA  ))
      6.000     4.500     0.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.72028E-03 ppm1      2.134 ppm2      3.947 CV     1
 ASSI { 1180}
   (( segid "   A" and resid 267  and name HB  ))
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.25706E-02 ppm1      2.061 ppm2      3.941 CV     1
 ASSI { 1183}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 221  and name HB1 ))
      6.000     4.500     0.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.10994E-02 ppm1     -0.083 ppm2      3.945 CV     1
 OR { 1183}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 239  and name HB  ))
 ASSI { 1184}
   (  segid "   A" and resid 201  and name HD2%)
   (( segid "   A" and resid 201  and name HA  ))
      6.000     4.500     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.11178E-01 ppm1      0.804 ppm2      3.956 CV     1
 ASSI { 1185}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.50072E-02 ppm1      0.990 ppm2      3.938 CV     1
 OR { 1185}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 268  and name HB1 ))
 ASSI { 1186}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 202  and name HA  ))
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.13696E-02 ppm1      0.550 ppm2      3.941 CV     1
 ASSI { 1187}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.14161E-01 ppm1      1.474 ppm2      3.941 CV     1
 ASSI { 1188}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 288  and name HD2 ))
      6.000     4.500     0.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      4.193 ppm2      3.930 CV     1
 ASSI { 1189}
   (( segid "   A" and resid 286  and name HA  ))
   (( segid "   A" and resid 202  and name HA  ))
      6.000     4.500     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.14950E-02 ppm1      4.506 ppm2      3.916 CV     1
 ASSI { 1191}
   (( segid "   A" and resid 269  and name HA  ))
   (( segid "   A" and resid 268  and name HB2 ))
      6.000     4.500     0.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.11307E-02 ppm1      4.551 ppm2      3.923 CV     1
 OR { 1191}
   (( segid "   A" and resid 269  and name HA  ))
   (( segid "   A" and resid 268  and name HB1 ))
 ASSI { 1193}
   (( segid "   A" and resid 287  and name HA  ))
   (( segid "   A" and resid 288  and name HD2 ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.15999E-02 ppm1      4.654 ppm2      3.929 CV     1
 ASSI { 1194}
   (( segid "   A" and resid 209  and name HA  ))
   (( segid "   A" and resid 260  and name HA  ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.96296E-03 ppm1      4.876 ppm2      3.909 CV     1
 ASSI { 1195}
   (( segid "   A" and resid 288  and name HD1 ))
   (( segid "   A" and resid 288  and name HD2 ))
      6.000     4.500     0.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.13069E-02 ppm1      3.514 ppm2      3.918 CV     1
 ASSI { 1198}
   (( segid "   A" and resid 209  and name HB2 ))
   (( segid "   A" and resid 260  and name HA  ))
      6.000     4.500     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.72709E-03 ppm1      3.564 ppm2      3.916 CV     1
 ASSI { 1199}
   (( segid "   A" and resid 264  and name HG1 ))
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.13848E-01 ppm1      2.362 ppm2      3.923 CV     1
 OR { 1199}
   (( segid "   A" and resid 264  and name HG2 ))
   (( segid "   A" and resid 264  and name HA  ))
 ASSI { 1200}
   (( segid "   A" and resid 110  and name HG12))
   (( segid "   A" and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.61899E-03 ppm1      1.024 ppm2      3.925 CV     1
 ASSI { 1201}
   (( segid "   A" and resid 264  and name HB2 ))
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.81713E-02 ppm1      2.104 ppm2      3.932 CV     1
 OR { 1201}
   (( segid "   A" and resid 264  and name HB1 ))
   (( segid "   A" and resid 264  and name HA  ))
 ASSI { 1202}
   (( segid "   A" and resid 288  and name HG2 ))
   (( segid "   A" and resid 288  and name HD2 ))
      6.000     4.500     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.88243E-03 ppm1      1.746 ppm2      3.925 CV     1
 ASSI { 1203}
   (  segid "   A" and resid 239  and name HG2%)
   (( segid "   A" and resid 239  and name HB  ))
      6.000     4.500     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.22863E-01 ppm1      1.166 ppm2      3.923 CV     1
 ASSI { 1204}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 202  and name HA  ))
      6.000     4.500     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.13307E-02 ppm1      0.780 ppm2      3.921 CV     1
 ASSI { 1205}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 136  and name HA1 ))
      6.000     4.500     0.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.17674E-02 ppm1      0.650 ppm2      3.919 CV     1
 ASSI { 1206}
   (  segid "   A" and resid 194  and name HB% )
   (( segid "   A" and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.61001E-02 ppm1      1.430 ppm2      3.929 CV     1
 ASSI { 1207}
   (  segid "   A" and resid 260  and name HB% )
   (( segid "   A" and resid 260  and name HA  ))
      6.000     4.500     0.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.20593E-01 ppm1      1.414 ppm2      3.913 CV     1
 ASSI { 1208}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 202  and name HA  ))
      6.000     4.500     0.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.18301E-01 ppm1      1.559 ppm2      3.914 CV     1
 ASSI { 1209}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 124  and name HA1 ))
      6.000     4.500     0.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.10821E-02 ppm1      1.267 ppm2      3.907 CV     1
 ASSI { 1210}
   (( segid "   A" and resid 198  and name HA  ))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      3.547 ppm2      3.900 CV     1
 ASSI { 1212}
   (( segid "   A" and resid 272  and name HB2 ))
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.17177E-02 ppm1      2.023 ppm2      3.884 CV     1
 ASSI { 1213}
   (( segid "   A" and resid 272  and name HB1 ))
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      1.551 ppm2      3.879 CV     1
 ASSI { 1214}
   (( segid "   A" and resid 279  and name HB2 ))
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.81259E-03 ppm1      2.741 ppm2      3.884 CV     1
 ASSI { 1215}
   (( segid "   A" and resid 278  and name HG1 ))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      2.240 ppm2      3.888 CV     1
 ASSI { 1216}
   (( segid "   A" and resid 200  and name HG1 ))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.19512E-02 ppm1      2.545 ppm2      3.897 CV     1
 ASSI { 1217}
   (( segid "   A" and resid 111  and name HG1 ))
   (( segid "   A" and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      2.600 ppm2      3.889 CV     1
 OR { 1217}
   (( segid "   A" and resid 111  and name HG2 ))
   (( segid "   A" and resid 111  and name HA  ))
 ASSI { 1218}
   (( segid "   A" and resid 163  and name HB2 ))
   (( segid "   A" and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.14486E-02 ppm1      2.123 ppm2      3.887 CV     1
 OR { 1218}
   (( segid "   A" and resid 278  and name HB2 ))
   (( segid "   A" and resid 217  and name HA  ))
 ASSI { 1219}
   (( segid "   A" and resid 148  and name HB  ))
   (( segid "   A" and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.26290E-02 ppm1      2.242 ppm2      3.880 CV     1
 ASSI { 1220}
   (( segid "   A" and resid 217  and name HB2 ))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      3.060 ppm2      3.887 CV     1
 ASSI { 1221}
   (( segid "   A" and resid 217  and name HB1 ))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.91713E-03 ppm1      2.791 ppm2      3.888 CV     1
 ASSI { 1222}
   (( segid "   A" and resid 197  and name HG12))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.20399E-02 ppm1      1.463 ppm2      3.882 CV     1
 ASSI { 1223}
   (( segid "   A" and resid 198  and name HG11))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      1.229 ppm2      3.879 CV     1
 ASSI { 1224}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 215  and name HA  ))
      6.000     4.500     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.15902E-02 ppm1      1.013 ppm2      3.879 CV     1
 OR { 1224}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 217  and name HA  ))
 OR { 1224}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 135  and name HA  ))
 ASSI { 1225}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.10769E-01 ppm1      0.801 ppm2      3.884 CV     1
 ASSI { 1226}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.37295E-02 ppm1      1.272 ppm2      3.883 CV     1
 ASSI { 1227}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.12842E-01 ppm1      0.700 ppm2      3.879 CV     1
 ASSI { 1228}
   (  segid "   A" and resid 148  and name HG1%)
   (( segid "   A" and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.20409E-01 ppm1      0.954 ppm2      3.888 CV     1
 ASSI { 1229}
   (  segid "   A" and resid 149  and name HG2%)
   (( segid "   A" and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.20950E-02 ppm1      1.095 ppm2      3.895 CV     1
 OR { 1229}
   (  segid "   A" and resid 149  and name HG2%)
   (( segid "   A" and resid 150  and name HA  ))
 ASSI { 1230}
   (  segid "   A" and resid 148  and name HG2%)
   (( segid "   A" and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.13350E-01 ppm1      0.871 ppm2      3.883 CV     1
 ASSI { 1231}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 205  and name HA  ))
      6.000     4.500     0.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.17004E-01 ppm1      1.144 ppm2      3.882 CV     1
 ASSI { 1232}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.93042E-02 ppm1      0.877 ppm2      3.883 CV     1
 ASSI { 1233}
   (  segid "   A" and resid 150  and name HE% )
   (( segid "   A" and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.45910E-02 ppm1      2.009 ppm2      3.899 CV     1
 ASSI { 1234}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.46581E-02 ppm1      1.964 ppm2      3.898 CV     1
 ASSI { 1235}
   (( segid "   A" and resid 196  and name HA  ))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.68190E-03 ppm1      4.431 ppm2      3.863 CV     1
 ASSI { 1238}
   (( segid "   A" and resid 216  and name HA  ))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.73400E-03 ppm1      3.448 ppm2      3.866 CV     1
 OR { 1238}
   (( segid "   A" and resid 216  and name HA  ))
   (( segid "   A" and resid 215  and name HA  ))
 ASSI { 1239}
   (( segid "   A" and resid 288  and name HA  ))
   (( segid "   A" and resid 205  and name HA  ))
      6.000     4.500     0.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.11675E-02 ppm1      4.348 ppm2      3.873 CV     1
 ASSI { 1241}
   (( segid "   A" and resid 119  and name HB  ))
   (( segid "   A" and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.43219E-03 ppm1      1.119 ppm2      3.869 CV     1
 ASSI { 1242}
   (( segid "   A" and resid 279  and name HB1 ))
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.12540E-02 ppm1      2.551 ppm2      3.875 CV     1
 ASSI { 1244}
   (( segid "   A" and resid 197  and name HG11))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.19318E-02 ppm1      1.313 ppm2      3.874 CV     1
 ASSI { 1246}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.12464E-02 ppm1      0.904 ppm2      3.864 CV     1
 ASSI { 1247}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 215  and name HA  ))
      6.000     4.500     0.000 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.10853E-02 ppm1      0.347 ppm2      3.852 CV     1
 OR { 1247}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 225  and name HA  ))
 OR { 1247}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 225  and name HA  ))
 ASSI { 1248}
   (  segid "   A" and resid 231  and name HB% )
   (( segid "   A" and resid 231  and name HA  ))
      6.000     4.500     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.10518E-01 ppm1      0.929 ppm2      3.866 CV     1
 ASSI { 1249}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.10283E-02 ppm1      1.342 ppm2      3.865 CV     1
 ASSI { 1250}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.51759E-03 ppm1      1.386 ppm2      3.874 CV     1
 OR { 1250}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 215  and name HA  ))
 ASSI { 1251}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.41911E-02 ppm1      0.923 ppm2      3.873 CV     1
 ASSI { 1252}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.59747E-03 ppm1      0.184 ppm2      3.860 CV     1
 OR { 1252}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 231  and name HA  ))
 ASSI { 1253}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.13426E-02 ppm1      0.236 ppm2      3.855 CV     1
 ASSI { 1254}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.84157E-02 ppm1      0.786 ppm2      3.877 CV     1
 ASSI { 1255}
   (( segid "   A" and resid 225  and name HG11))
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.12140E-02 ppm1      1.045 ppm2      3.829 CV     1
 ASSI { 1256}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.10918E-02 ppm1      0.478 ppm2      3.834 CV     1
 ASSI { 1258}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 215  and name HA  ))
      6.000     4.500     0.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.12205E-02 ppm1      0.391 ppm2      3.828 CV     1
 OR { 1258}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 225  and name HA  ))
 OR { 1258}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 225  and name HA  ))
 ASSI { 1259}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.49370E-02 ppm1      0.691 ppm2      3.844 CV     1
 ASSI { 1260}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.84989E-03 ppm1     -0.126 ppm2      3.824 CV     1
 ASSI { 1261}
   (( segid "   A" and resid 257  and name HB1 ))
   (( segid "   A" and resid 263  and name HB1 ))
      6.000     4.500     0.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.58915E-03 ppm1      2.746 ppm2      3.802 CV     1
 ASSI { 1262}
   (( segid "   A" and resid 225  and name HB  ))
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.12734E-02 ppm1      1.828 ppm2      3.821 CV     1
 ASSI { 1263}
   (( segid "   A" and resid 264  and name HB2 ))
   (( segid "   A" and resid 263  and name HB1 ))
      6.000     4.500     0.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.37403E-02 ppm1      2.067 ppm2      3.817 CV     1
 OR { 1263}
   (( segid "   A" and resid 264  and name HB1 ))
   (( segid "   A" and resid 263  and name HB1 ))
 ASSI { 1265}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 263  and name HB1 ))
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.74146E-02 ppm1      0.954 ppm2      3.818 CV     1
 ASSI { 1266}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.53607E-02 ppm1      0.615 ppm2      3.820 CV     1
 ASSI { 1267}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.71260E-02 ppm1      0.633 ppm2      3.823 CV     1
 ASSI { 1268}
   (( segid "   A" and resid 209  and name HA  ))
   (( segid "   A" and resid 263  and name HB2 ))
      6.000     4.500     0.000 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.93378E-03 ppm1      4.881 ppm2      3.787 CV     1
 OR { 1268}
   (( segid "   A" and resid 209  and name HA  ))
   (( segid "   A" and resid 263  and name HB1 ))
 ASSI { 1271}
   (( segid "   A" and resid 138  and name HB  ))
   (( segid "   A" and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.91161E-03 ppm1      1.647 ppm2      3.748 CV     1
 ASSI { 1272}
   (( segid "   A" and resid 209  and name HB2 ))
   (( segid "   A" and resid 263  and name HB2 ))
      6.000     4.500     0.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.88102E-03 ppm1      3.569 ppm2      3.765 CV     1
 ASSI { 1274}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.96491E-02 ppm1      0.987 ppm2      3.743 CV     1
 ASSI { 1275}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.60623E-03 ppm1      4.166 ppm2      3.720 CV     1
 ASSI { 1276}
   (( segid "   A" and resid 170  and name HB2 ))
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.27468E-02 ppm1      1.775 ppm2      3.726 CV     1
 ASSI { 1277}
   (( segid "   A" and resid 170  and name HB1 ))
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.29317E-02 ppm1      1.580 ppm2      3.733 CV     1
 ASSI { 1278}
   (( segid "   A" and resid 185  and name HB  ))
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.13642E-02 ppm1      1.888 ppm2      3.736 CV     1
 ASSI { 1279}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.52667E-03 ppm1      1.422 ppm2      3.736 CV     1
 OR { 1279}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 140  and name HB1 ))
 ASSI { 1281}
   (( segid "   A" and resid 138  and name HG11))
   (( segid "   A" and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.60104E-03 ppm1      0.314 ppm2      3.738 CV     1
 ASSI { 1282}
   (( segid "   A" and resid 170  and name HG  ))
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.22593E-02 ppm1      1.705 ppm2      3.730 CV     1
 ASSI { 1283}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.14875E-01 ppm1      0.802 ppm2      3.733 CV     1
 ASSI { 1284}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.21923E-02 ppm1      1.317 ppm2      3.718 CV     1
 ASSI { 1285}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.57380E-02 ppm1      0.924 ppm2      3.731 CV     1
 ASSI { 1286}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.55369E-03 ppm1      0.289 ppm2      3.718 CV     1
 OR { 1286}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 170  and name HA  ))
 OR { 1286}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 125  and name HA  ))
 ASSI { 1287}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.16583E-02 ppm1      0.130 ppm2      3.724 CV     1
 ASSI { 1288}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.11015E-01 ppm1      0.534 ppm2      3.722 CV     1
 ASSI { 1289}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 134  and name HD1 ))
      6.000     4.500     0.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.96858E-03 ppm1      1.386 ppm2      3.729 CV     1
 OR { 1289}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 128  and name HA  ))
 OR { 1289}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 170  and name HA  ))
 ASSI { 1290}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.70255E-02 ppm1      0.484 ppm2      3.715 CV     1
 ASSI { 1291}
   (( segid "   A" and resid 134  and name HA  ))
   (( segid "   A" and resid 134  and name HD1 ))
      6.000     4.500     0.000 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.11297E-02 ppm1      4.012 ppm2      3.707 CV     1
 ASSI { 1292}
   (( segid "   A" and resid 269  and name HB2 ))
   (( segid "   A" and resid 269  and name HB1 ))
      6.000     4.500     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.34236E-02 ppm1      3.520 ppm2      3.699 CV     1
 ASSI { 1293}
   (( segid "   A" and resid 239  and name HA  ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.63380E-03 ppm1      4.863 ppm2      3.697 CV     1
 ASSI { 1295}
   (( segid "   A" and resid 266  and name HA  ))
   (( segid "   A" and resid 269  and name HB1 ))
      6.000     4.500     0.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.54613E-03 ppm1      2.401 ppm2      3.693 CV     1
 ASSI { 1296}
   (( segid "   A" and resid 134  and name HD2 ))
   (( segid "   A" and resid 134  and name HD1 ))
      6.000     4.500     0.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.10505E-02 ppm1      3.080 ppm2      3.700 CV     1
 ASSI { 1297}
   (( segid "   A" and resid 222  and name HB1 ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.19815E-02 ppm1      2.643 ppm2      3.705 CV     1
 ASSI { 1298}
   (( segid "   A" and resid 222  and name HB2 ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      2.580 ppm2      3.697 CV     1
 ASSI { 1299}
   (( segid "   A" and resid 125  and name HG1 ))
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.48245E-02 ppm1      2.220 ppm2      3.708 CV     1
 OR { 1299}
   (( segid "   A" and resid 125  and name HG2 ))
   (( segid "   A" and resid 125  and name HA  ))
 ASSI { 1300}
   (( segid "   A" and resid 128  and name HB  ))
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.23815E-02 ppm1      2.004 ppm2      3.712 CV     1
 ASSI { 1301}
   (( segid "   A" and resid 225  and name HB  ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.10380E-02 ppm1      1.826 ppm2      3.698 CV     1
 ASSI { 1302}
   (( segid "   A" and resid 167  and name HG2 ))
   (( segid "   A" and resid 167  and name HA  ))
      6.000     4.500     0.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.14896E-02 ppm1      2.335 ppm2      3.695 CV     1
 ASSI { 1303}
   (( segid "   A" and resid 125  and name HB1 ))
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.86016E-03 ppm1      2.208 ppm2      3.698 CV     1
 ASSI { 1304}
   (( segid "   A" and resid 125  and name HB2 ))
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.25079E-02 ppm1      2.152 ppm2      3.711 CV     1
 ASSI { 1305}
   (( segid "   A" and resid 129  and name HB2 ))
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.36300E-02 ppm1      1.950 ppm2      3.701 CV     1
 OR { 1305}
   (( segid "   A" and resid 129  and name HB2 ))
   (( segid "   A" and resid 128  and name HA  ))
 ASSI { 1308}
   (( segid "   A" and resid 240  and name HG  ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.13545E-02 ppm1      1.133 ppm2      3.702 CV     1
 ASSI { 1309}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.37738E-02 ppm1     -0.085 ppm2      3.700 CV     1
 ASSI { 1310}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 167  and name HA  ))
      6.000     4.500     0.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.94069E-03 ppm1      0.785 ppm2      3.690 CV     1
 ASSI { 1311}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.23231E-02 ppm1      0.083 ppm2      3.698 CV     1
 ASSI { 1312}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.85194E-03 ppm1      0.343 ppm2      3.691 CV     1
 OR { 1312}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 226  and name HA  ))
 ASSI { 1313}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.11480E-02 ppm1      0.030 ppm2      3.695 CV     1
 OR { 1313}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 128  and name HA  ))
 ASSI { 1314}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.30376E-02 ppm1      0.614 ppm2      3.688 CV     1
 OR { 1314}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 222  and name HA  ))
 ASSI { 1315}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 134  and name HD1 ))
      6.000     4.500     0.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.43630E-02 ppm1      1.607 ppm2      3.702 CV     1
 ASSI { 1316}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.28495E-02 ppm1      0.592 ppm2      3.704 CV     1
 ASSI { 1317}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.19458E-02 ppm1      1.268 ppm2      3.709 CV     1
 ASSI { 1318}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.71822E-03 ppm1      0.238 ppm2      3.707 CV     1
 OR { 1318}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 128  and name HA  ))
 ASSI { 1319}
   (( segid "   A" and resid 223  and name HA  ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.16464E-02 ppm1      4.350 ppm2      3.673 CV     1
 OR { 1319}
   (( segid "   A" and resid 223  and name HA  ))
   (( segid "   A" and resid 226  and name HA  ))
 OR { 1319}
   (( segid "   A" and resid 126  and name HA  ))
   (( segid "   A" and resid 129  and name HA  ))
 ASSI { 1320}
   (( segid "   A" and resid 194  and name HA  ))
   (( segid "   A" and resid 196  and name HD2 ))
      6.000     4.500     0.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.53564E-03 ppm1      4.496 ppm2      3.686 CV     1
 ASSI { 1321}
   (( segid "   A" and resid 113  and name HD2 ))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.13221E-02 ppm1      3.069 ppm2      3.663 CV     1
 ASSI { 1322}
   (( segid "   A" and resid 113  and name HD1 ))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.95745E-03 ppm1      2.910 ppm2      3.670 CV     1
 ASSI { 1323}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.19069E-02 ppm1      2.840 ppm2      3.672 CV     1
 OR { 1323}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 226  and name HA  ))
 ASSI { 1324}
   (( segid "   A" and resid 235  and name HB  ))
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.52591E-03 ppm1      1.603 ppm2      3.684 CV     1
 OR { 1324}
   (( segid "   A" and resid 141  and name HB  ))
   (( segid "   A" and resid 125  and name HA  ))
 OR { 1324}
   (( segid "   A" and resid 141  and name HB  ))
   (( segid "   A" and resid 140  and name HB2 ))
 ASSI { 1325}
   (( segid "   A" and resid 110  and name HB  ))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.21480E-02 ppm1      1.872 ppm2      3.668 CV     1
 ASSI { 1326}
   (( segid "   A" and resid 113  and name HB1 ))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.68882E-03 ppm1      1.797 ppm2      3.668 CV     1
 ASSI { 1327}
   (( segid "   A" and resid 113  and name HB2 ))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.10951E-02 ppm1      1.736 ppm2      3.681 CV     1
 ASSI { 1328}
   (( segid "   A" and resid 167  and name HG1 ))
   (( segid "   A" and resid 167  and name HA  ))
      6.000     4.500     0.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.19318E-02 ppm1      2.149 ppm2      3.669 CV     1
 ASSI { 1330}
   (( segid "   A" and resid 196  and name HB2 ))
   (( segid "   A" and resid 196  and name HD2 ))
      6.000     4.500     0.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.79887E-03 ppm1      2.384 ppm2      3.678 CV     1
 ASSI { 1331}
   (( segid "   A" and resid 196  and name HB1 ))
   (( segid "   A" and resid 196  and name HD2 ))
      6.000     4.500     0.000 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.12399E-02 ppm1      1.758 ppm2      3.686 CV     1
 ASSI { 1332}
   (( segid "   A" and resid 110  and name HG11))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.29241E-02 ppm1      1.706 ppm2      3.670 CV     1
 ASSI { 1333}
   (( segid "   A" and resid 226  and name HD2 ))
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.21209E-02 ppm1      1.641 ppm2      3.672 CV     1
 OR { 1333}
   (( segid "   A" and resid 226  and name HD1 ))
   (( segid "   A" and resid 226  and name HA  ))
 ASSI { 1334}
   (( segid "   A" and resid 110  and name HG12))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.22377E-02 ppm1      1.034 ppm2      3.671 CV     1
 ASSI { 1335}
   (( segid "   A" and resid 130  and name HB2 ))
   (( segid "   A" and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      2.185 ppm2      3.675 CV     1
 OR { 1335}
   (( segid "   A" and resid 130  and name HB1 ))
   (( segid "   A" and resid 129  and name HA  ))
 ASSI { 1336}
   (( segid "   A" and resid 196  and name HG2 ))
   (( segid "   A" and resid 196  and name HD2 ))
      6.000     4.500     0.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.16237E-02 ppm1      1.985 ppm2      3.678 CV     1
 ASSI { 1337}
   (( segid "   A" and resid 196  and name HG1 ))
   (( segid "   A" and resid 196  and name HD2 ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.20593E-02 ppm1      2.066 ppm2      3.687 CV     1
 ASSI { 1338}
   (( segid "   A" and resid 129  and name HG2 ))
   (( segid "   A" and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.19177E-02 ppm1      1.532 ppm2      3.661 CV     1
 OR { 1338}
   (( segid "   A" and resid 129  and name HG1 ))
   (( segid "   A" and resid 129  and name HA  ))
 ASSI { 1339}
   (( segid "   A" and resid 226  and name HG1 ))
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.88654E-03 ppm1      1.183 ppm2      3.671 CV     1
 ASSI { 1340}
   (( segid "   A" and resid 226  and name HG2 ))
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.19091E-02 ppm1      1.335 ppm2      3.680 CV     1
 ASSI { 1341}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.79389E-03 ppm1      0.373 ppm2      3.663 CV     1
 OR { 1341}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 226  and name HA  ))
 OR { 1341}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 263  and name HA  ))
 ASSI { 1343}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 263  and name HA  ))
      6.000     4.500     0.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.34690E-02 ppm1      1.248 ppm2      3.679 CV     1
 ASSI { 1344}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      0.219 ppm2      3.686 CV     1
 OR { 1344}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 263  and name HA  ))
 ASSI { 1345}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.78600E-02 ppm1      0.838 ppm2      3.669 CV     1
 ASSI { 1346}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.28690E-02 ppm1      0.678 ppm2      3.665 CV     1
 ASSI { 1347}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1     -0.127 ppm2      3.666 CV     1
 ASSI { 1348}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.10204E-01 ppm1      0.737 ppm2      3.668 CV     1
 ASSI { 1349}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 196  and name HD2 ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.12442E-02 ppm1      0.788 ppm2      3.678 CV     1
 ASSI { 1350}
   (( segid "   A" and resid 196  and name HA  ))
   (( segid "   A" and resid 196  and name HD2 ))
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.56699E-03 ppm1      4.429 ppm2      3.657 CV     1
 ASSI { 1351}
   (( segid "   A" and resid 114  and name HA  ))
   (( segid "   A" and resid 166  and name HA  ))
      6.000     4.500     0.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.82438E-03 ppm1      4.734 ppm2      3.643 CV     1
 OR { 1351}
   (( segid "   A" and resid 132  and name HA  ))
   (( segid "   A" and resid 129  and name HA  ))
 OR { 1351}
   (( segid "   A" and resid 114  and name HA  ))
   (( segid "   A" and resid 110  and name HA  ))
 ASSI { 1353}
   (( segid "   A" and resid 219  and name HA  ))
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.67606E-03 ppm1      4.738 ppm2      3.648 CV     1
 OR { 1353}
   (( segid "   A" and resid 221  and name HA  ))
   (( segid "   A" and resid 218  and name HA  ))
 OR { 1353}
   (( segid "   A" and resid 133  and name HA  ))
   (( segid "   A" and resid 129  and name HA  ))
 ASSI { 1354}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 166  and name HA  ))
      6.000     4.500     0.000 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.51488E-03 ppm1      5.026 ppm2      3.644 CV     1
 OR { 1354}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 110  and name HA  ))
 ASSI { 1356}
   (( segid "   A" and resid 129  and name HD2 ))
   (( segid "   A" and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.89356E-03 ppm1      3.327 ppm2      3.648 CV     1
 ASSI { 1357}
   (( segid "   A" and resid 121  and name HB2 ))
   (( segid "   A" and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.13426E-02 ppm1      2.812 ppm2      3.639 CV     1
 ASSI { 1358}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.94491E-03 ppm1      0.906 ppm2      3.659 CV     1
 OR { 1358}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 276  and name HA1 ))
 OR { 1358}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 218  and name HA  ))
 ASSI { 1359}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.11653E-02 ppm1      0.672 ppm2      3.650 CV     1
 ASSI { 1360}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 166  and name HA  ))
      6.000     4.500     0.000 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.44581E-02 ppm1      0.884 ppm2      3.646 CV     1
 ASSI { 1361}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 166  and name HA  ))
      6.000     4.500     0.000 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.90048E-02 ppm1      1.459 ppm2      3.650 CV     1
 ASSI { 1362}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 166  and name HA  ))
      6.000     4.500     0.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.31998E-02 ppm1      1.345 ppm2      3.651 CV     1
 ASSI { 1365}
   (( segid "   A" and resid 163  and name HA  ))
   (( segid "   A" and resid 163  and name HD2 ))
      6.000     4.500     0.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.91994E-03 ppm1      4.135 ppm2      3.616 CV     1
 ASSI { 1366}
   (( segid "   A" and resid 218  and name HG1 ))
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      2.207 ppm2      3.630 CV     1
 ASSI { 1367}
   (( segid "   A" and resid 218  and name HG2 ))
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      2.103 ppm2      3.630 CV     1
 ASSI { 1368}
   (( segid "   A" and resid 163  and name HB1 ))
   (( segid "   A" and resid 163  and name HD2 ))
      6.000     4.500     0.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.85486E-03 ppm1      1.710 ppm2      3.607 CV     1
 ASSI { 1369}
   (( segid "   A" and resid 218  and name HB1 ))
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.46581E-02 ppm1      1.853 ppm2      3.629 CV     1
 ASSI { 1370}
   (( segid "   A" and resid 218  and name HB2 ))
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.48137E-02 ppm1      1.785 ppm2      3.629 CV     1
 ASSI { 1371}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 165  and name HA  ))
      6.000     4.500     0.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.15448E-02 ppm1      1.013 ppm2      3.628 CV     1
 ASSI { 1372}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 276  and name HA2 ))
      6.000     4.500     0.000 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.10102E-02 ppm1      0.692 ppm2      3.624 CV     1
 OR { 1372}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 218  and name HA  ))
 ASSI { 1373}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 165  and name HA  ))
      6.000     4.500     0.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.11048E-02 ppm1      1.273 ppm2      3.629 CV     1
 ASSI { 1374}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 165  and name HA  ))
      6.000     4.500     0.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.48581E-02 ppm1      0.648 ppm2      3.621 CV     1
 ASSI { 1375}
   (( segid "   A" and resid 162  and name HA  ))
   (( segid "   A" and resid 163  and name HD2 ))
      6.000     4.500     0.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.26333E-02 ppm1      4.856 ppm2      3.587 CV     1
 ASSI { 1376}
   (( segid "   A" and resid 162  and name HB  ))
   (( segid "   A" and resid 163  and name HD2 ))
      6.000     4.500     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.18172E-02 ppm1      2.196 ppm2      3.590 CV     1
 ASSI { 1377}
   (( segid "   A" and resid 163  and name HB2 ))
   (( segid "   A" and resid 163  and name HD2 ))
      6.000     4.500     0.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.28495E-02 ppm1      2.127 ppm2      3.586 CV     1
 ASSI { 1378}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 276  and name HA2 ))
      6.000     4.500     0.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.11253E-02 ppm1      1.043 ppm2      3.593 CV     1
 OR { 1378}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 228  and name HA  ))
 ASSI { 1380}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 163  and name HD2 ))
      6.000     4.500     0.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.34798E-02 ppm1      0.778 ppm2      3.598 CV     1
 ASSI { 1383}
   (( segid "   A" and resid 109  and name HA  ))
   (( segid "   A" and resid 112  and name HB1 ))
      6.000     4.500     0.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.77919E-03 ppm1      4.102 ppm2      3.567 CV     1
 ASSI { 1384}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 209  and name HB2 ))
      6.000     4.500     0.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.15956E-02 ppm1      3.913 ppm2      3.567 CV     1
 OR { 1384}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 257  and name HB2 ))
 ASSI { 1385}
   (( segid "   A" and resid 256  and name HA  ))
   (( segid "   A" and resid 257  and name HB2 ))
      6.000     4.500     0.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.51272E-03 ppm1      5.024 ppm2      3.562 CV     1
 OR { 1385}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 112  and name HB1 ))
 ASSI { 1389}
   (( segid "   A" and resid 201  and name HB1 ))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.60526E-03 ppm1      1.443 ppm2      3.567 CV     1
 ASSI { 1390}
   (( segid "   A" and resid 209  and name HB1 ))
   (( segid "   A" and resid 209  and name HB2 ))
      6.000     4.500     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.22896E-02 ppm1      2.659 ppm2      3.573 CV     1
 ASSI { 1391}
   (( segid "   A" and resid 228  and name HB  ))
   (( segid "   A" and resid 228  and name HA  ))
      6.000     4.500     0.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.11545E-02 ppm1      2.069 ppm2      3.569 CV     1
 ASSI { 1392}
   (( segid "   A" and resid 198  and name HG11))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.76935E-03 ppm1      1.234 ppm2      3.558 CV     1
 ASSI { 1393}
   (( segid "   A" and resid 112  and name HB2 ))
   (( segid "   A" and resid 112  and name HB1 ))
      6.000     4.500     0.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.18788E-02 ppm1      3.054 ppm2      3.567 CV     1
 ASSI { 1394}
   (  segid "   A" and resid 108  and name HD2%)
   (( segid "   A" and resid 112  and name HB1 ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.25944E-02 ppm1      0.869 ppm2      3.568 CV     1
 OR { 1394}
   (  segid "   A" and resid 108  and name HD2%)
   (( segid "   A" and resid 198  and name HA  ))
 ASSI { 1395}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 228  and name HA  ))
      6.000     4.500     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.75703E-02 ppm1      0.983 ppm2      3.553 CV     1
 ASSI { 1396}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 228  and name HA  ))
      6.000     4.500     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.37911E-02 ppm1      0.473 ppm2      3.566 CV     1
 ASSI { 1397}
   (  segid "   A" and resid 231  and name HB% )
   (( segid "   A" and resid 228  and name HA  ))
      6.000     4.500     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.10755E-02 ppm1      0.932 ppm2      3.561 CV     1
 ASSI { 1398}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 228  and name HA  ))
      6.000     4.500     0.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.11632E-02 ppm1      0.185 ppm2      3.553 CV     1
 ASSI { 1399}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 288  and name HD1 ))
      6.000     4.500     0.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.15015E-02 ppm1      4.197 ppm2      3.530 CV     1
 ASSI { 1402}
   (( segid "   A" and resid 287  and name HA  ))
   (( segid "   A" and resid 288  and name HD1 ))
      6.000     4.500     0.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.12540E-02 ppm1      4.649 ppm2      3.529 CV     1
 ASSI { 1405}
   (( segid "   A" and resid 201  and name HB2 ))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.44397E-03 ppm1      2.135 ppm2      3.535 CV     1
 ASSI { 1406}
   (( segid "   A" and resid 257  and name HB1 ))
   (( segid "   A" and resid 257  and name HB2 ))
      6.000     4.500     0.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.99907E-03 ppm1      2.740 ppm2      3.542 CV     1
 ASSI { 1407}
   (( segid "   A" and resid 132  and name HB1 ))
   (( segid "   A" and resid 132  and name HB2 ))
      6.000     4.500     0.000 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.70741E-03 ppm1      2.852 ppm2      3.528 CV     1
 ASSI { 1408}
   (( segid "   A" and resid 198  and name HB  ))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.89486E-03 ppm1      2.001 ppm2      3.530 CV     1
 ASSI { 1409}
   (( segid "   A" and resid 200  and name HG2 ))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.92826E-03 ppm1      2.359 ppm2      3.544 CV     1
 OR { 1409}
   (( segid "   A" and resid 195  and name HG2 ))
   (( segid "   A" and resid 198  and name HA  ))
 OR { 1409}
   (( segid "   A" and resid 195  and name HG1 ))
   (( segid "   A" and resid 198  and name HA  ))
 ASSI { 1410}
   (( segid "   A" and resid 198  and name HG12))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.81259E-03 ppm1      1.604 ppm2      3.544 CV     1
 ASSI { 1411}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.29793E-02 ppm1      0.790 ppm2      3.542 CV     1
 ASSI { 1412}
   (( segid "   A" and resid 288  and name HG1 ))
   (( segid "   A" and resid 288  and name HD1 ))
      6.000     4.500     0.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.78806E-03 ppm1      2.310 ppm2      3.524 CV     1
 ASSI { 1413}
   (( segid "   A" and resid 288  and name HG2 ))
   (( segid "   A" and resid 288  and name HD1 ))
      6.000     4.500     0.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.53359E-03 ppm1      1.746 ppm2      3.531 CV     1
 ASSI { 1414}
   (  segid "   A" and resid 201  and name HD2%)
   (( segid "   A" and resid 288  and name HD1 ))
      6.000     4.500     0.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.39965E-02 ppm1      0.805 ppm2      3.536 CV     1
 ASSI { 1415}
   (  segid "   A" and resid 287  and name HG2%)
   (( segid "   A" and resid 288  and name HD1 ))
      6.000     4.500     0.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.38851E-02 ppm1      1.073 ppm2      3.549 CV     1
 OR { 1415}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 112  and name HB1 ))
 ASSI { 1416}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 132  and name HB2 ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.13794E-02 ppm1      0.130 ppm2      3.534 CV     1
 ASSI { 1417}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 132  and name HB2 ))
      6.000     4.500     0.000 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.94210E-03 ppm1      0.030 ppm2      3.525 CV     1
 ASSI { 1418}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 288  and name HD1 ))
      6.000     4.500     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      1.144 ppm2      3.535 CV     1
 ASSI { 1419}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.16248E-02 ppm1      0.878 ppm2      3.541 CV     1
 ASSI { 1420}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      1.964 ppm2      3.547 CV     1
 ASSI { 1421}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.65012E-02 ppm1      0.922 ppm2      3.544 CV     1
 ASSI { 1422}
   (( segid "   A" and resid 196  and name HA  ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.65833E-03 ppm1      4.423 ppm2      3.500 CV     1
 ASSI { 1425}
   (( segid "   A" and resid 270  and name HA  ))
   (( segid "   A" and resid 269  and name HB2 ))
      6.000     4.500     0.000 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.59682E-03 ppm1      4.945 ppm2      3.512 CV     1
 OR { 1425}
   (( segid "   A" and resid 184  and name HA  ))
   (( segid "   A" and resid 117  and name HA2 ))
 ASSI { 1426}
   (( segid "   A" and resid 194  and name HA  ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.57877E-03 ppm1      4.486 ppm2      3.504 CV     1
 ASSI { 1428}
   (( segid "   A" and resid 196  and name HB2 ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.90880E-03 ppm1      2.380 ppm2      3.497 CV     1
 ASSI { 1429}
   (( segid "   A" and resid 196  and name HB1 ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.99907E-03 ppm1      1.749 ppm2      3.499 CV     1
 ASSI { 1430}
   (( segid "   A" and resid 196  and name HG1 ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.17977E-02 ppm1      2.066 ppm2      3.499 CV     1
 ASSI { 1431}
   (( segid "   A" and resid 196  and name HG2 ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.16150E-02 ppm1      1.994 ppm2      3.507 CV     1
 ASSI { 1432}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.11934E-02 ppm1      0.785 ppm2      3.510 CV     1
 ASSI { 1433}
   (( segid "   A" and resid 262  and name HB2 ))
   (( segid "   A" and resid 262  and name HB1 ))
      6.000     4.500     0.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      2.857 ppm2      3.474 CV     1
 ASSI { 1436}
   (( segid "   A" and resid 193  and name HA  ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.66125E-03 ppm1      4.176 ppm2      3.481 CV     1
 ASSI { 1437}
   (( segid "   A" and resid 266  and name HA  ))
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.79692E-03 ppm1      2.399 ppm2      3.473 CV     1
 OR { 1437}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 135  and name HB1 ))
 ASSI { 1438}
   (( segid "   A" and resid 137  and name HD2 ))
   (( segid "   A" and resid 137  and name HD1 ))
      6.000     4.500     0.000 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.14410E-02 ppm1      3.186 ppm2      3.479 CV     1
 ASSI { 1439}
   (( segid "   A" and resid 282  and name HB  ))
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.74871E-03 ppm1      1.776 ppm2      3.480 CV     1
 ASSI { 1440}
   (( segid "   A" and resid 195  and name HG2 ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.91161E-03 ppm1      2.360 ppm2      3.491 CV     1
 OR { 1440}
   (( segid "   A" and resid 195  and name HG1 ))
   (( segid "   A" and resid 196  and name HD1 ))
 ASSI { 1441}
   (( segid "   A" and resid 267  and name HB  ))
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.24798E-02 ppm1      2.063 ppm2      3.473 CV     1
 ASSI { 1442}
   (( segid "   A" and resid 137  and name HG1 ))
   (( segid "   A" and resid 137  and name HD1 ))
      6.000     4.500     0.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.88102E-03 ppm1      2.292 ppm2      3.475 CV     1
 ASSI { 1443}
   (( segid "   A" and resid 137  and name HG2 ))
   (( segid "   A" and resid 137  and name HD1 ))
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.12161E-02 ppm1      2.209 ppm2      3.476 CV     1
 ASSI { 1445}
   (( segid "   A" and resid 193  and name HB1 ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.65736E-03 ppm1      2.155 ppm2      3.487 CV     1
 ASSI { 1446}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.56764E-03 ppm1     -0.081 ppm2      3.475 CV     1
 OR { 1446}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 229  and name HB1 ))
 ASSI { 1447}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.12875E-01 ppm1      0.994 ppm2      3.471 CV     1
 ASSI { 1448}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.80038E-02 ppm1      0.958 ppm2      3.470 CV     1
 ASSI { 1449}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.14583E-02 ppm1      0.955 ppm2      3.486 CV     1
 ASSI { 1450}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 229  and name HB1 ))
      6.000     4.500     0.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.14540E-02 ppm1      0.614 ppm2      3.469 CV     1
 ASSI { 1451}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 229  and name HB1 ))
      6.000     4.500     0.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      0.218 ppm2      3.476 CV     1
 ASSI { 1452}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.13956E-02 ppm1      0.737 ppm2      3.477 CV     1
 ASSI { 1453}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 229  and name HB1 ))
      6.000     4.500     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.20312E-02 ppm1      0.677 ppm2      3.474 CV     1
 ASSI { 1454}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 229  and name HB1 ))
      6.000     4.500     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.21036E-02 ppm1     -0.126 ppm2      3.471 CV     1
 ASSI { 1455}
   (( segid "   A" and resid 144  and name HB1 ))
   (( segid "   A" and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.32430E-02 ppm1      3.166 ppm2      3.456 CV     1
 ASSI { 1457}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.81854E-03 ppm1      0.970 ppm2      3.461 CV     1
 ASSI { 1458}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.96988E-03 ppm1      0.905 ppm2      3.444 CV     1
 ASSI { 1459}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.86016E-03 ppm1      1.051 ppm2      3.446 CV     1
 ASSI { 1460}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.43305E-02 ppm1      0.869 ppm2      3.448 CV     1
 ASSI { 1461}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.12021E-02 ppm1      1.273 ppm2      3.461 CV     1
 OR { 1461}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 216  and name HA  ))
 ASSI { 1462}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.47413E-02 ppm1      0.671 ppm2      3.449 CV     1
 ASSI { 1463}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.64850E-03 ppm1      0.084 ppm2      3.446 CV     1
 ASSI { 1464}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.60688E-02 ppm1      0.374 ppm2      3.448 CV     1
 ASSI { 1466}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.16031E-02 ppm1      0.649 ppm2      3.453 CV     1
 ASSI { 1467}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.27274E-02 ppm1      1.247 ppm2      3.462 CV     1
 ASSI { 1468}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.14734E-02 ppm1      0.632 ppm2      3.454 CV     1
 ASSI { 1470}
   (( segid "   A" and resid 232  and name HB2 ))
   (( segid "   A" and resid 232  and name HB1 ))
      6.000     4.500     0.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.96156E-03 ppm1      2.734 ppm2      3.428 CV     1
 ASSI { 1471}
   (( segid "   A" and resid 216  and name HB  ))
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.52180E-03 ppm1      1.279 ppm2      3.435 CV     1
 ASSI { 1472}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.11145E-02 ppm1      1.010 ppm2      3.427 CV     1
 ASSI { 1473}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 129  and name HD2 ))
      6.000     4.500     0.000 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.88102E-03 ppm1      0.538 ppm2      3.335 CV     1
 ASSI { 1475}
   (( segid "   A" and resid 270  and name HA  ))
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.95885E-03 ppm1      4.948 ppm2      3.320 CV     1
 ASSI { 1477}
   (( segid "   A" and resid 130  and name HG2 ))
   (( segid "   A" and resid 129  and name HD2 ))
      6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.59477E-03 ppm1      2.537 ppm2      3.314 CV     1
 ASSI { 1478}
   (( segid "   A" and resid 129  and name HB1 ))
   (( segid "   A" and resid 129  and name HD2 ))
      6.000     4.500     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.12659E-02 ppm1      1.887 ppm2      3.317 CV     1
 ASSI { 1479}
   (( segid "   A" and resid 129  and name HG1 ))
   (( segid "   A" and resid 129  and name HD2 ))
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.25544E-02 ppm1      1.529 ppm2      3.326 CV     1
 OR { 1479}
   (( segid "   A" and resid 129  and name HG2 ))
   (( segid "   A" and resid 129  and name HD2 ))
 ASSI { 1480}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.11642E-02 ppm1      1.049 ppm2      3.317 CV     1
 ASSI { 1481}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.85875E-03 ppm1      1.511 ppm2      3.305 CV     1
 ASSI { 1482}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 129  and name HD2 ))
      6.000     4.500     0.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.80870E-03 ppm1      1.612 ppm2      3.324 CV     1
 ASSI { 1483}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.17285E-02 ppm1      0.183 ppm2      3.315 CV     1
 ASSI { 1484}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 129  and name HD2 ))
      6.000     4.500     0.000 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.18010E-02 ppm1      0.738 ppm2      3.326 CV     1
 OR { 1484}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 129  and name HD2 ))
 ASSI { 1485}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.91994E-03 ppm1      1.015 ppm2      3.291 CV     1
 OR { 1485}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 164  and name HA  ))
 ASSI { 1486}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.57877E-03 ppm1      1.046 ppm2      3.281 CV     1
 ASSI { 1487}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.19037E-02 ppm1      0.981 ppm2      3.293 CV     1
 ASSI { 1488}
   (  segid "   A" and resid 287  and name HG2%)
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.13286E-02 ppm1      1.060 ppm2      3.293 CV     1
 OR { 1488}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 164  and name HA  ))
 ASSI { 1489}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.21317E-02 ppm1      0.781 ppm2      3.299 CV     1
 ASSI { 1490}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.34463E-02 ppm1      0.550 ppm2      3.298 CV     1
 ASSI { 1491}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.86989E-03 ppm1      1.967 ppm2      3.293 CV     1
 ASSI { 1492}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.46137E-03 ppm1      0.640 ppm2      3.288 CV     1
 ASSI { 1493}
   (( segid "   A" and resid 203  and name HA  ))
   (( segid "   A" and resid 206  and name HD1 ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.28301E-02 ppm1      4.059 ppm2      3.253 CV     1
 OR { 1493}
   (( segid "   A" and resid 203  and name HA  ))
   (( segid "   A" and resid 206  and name HD2 ))
 ASSI { 1494}
   (( segid "   A" and resid 206  and name HA  ))
   (( segid "   A" and resid 206  and name HD1 ))
      6.000     4.500     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      4.188 ppm2      3.265 CV     1
 OR { 1494}
   (( segid "   A" and resid 206  and name HA  ))
   (( segid "   A" and resid 206  and name HD2 ))
 ASSI { 1496}
   (( segid "   A" and resid 242  and name HA  ))
   (( segid "   A" and resid 249  and name HB1 ))
      6.000     4.500     0.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.10283E-02 ppm1      4.709 ppm2      3.270 CV     1
 ASSI { 1497}
   (( segid "   A" and resid 203  and name HG2 ))
   (( segid "   A" and resid 206  and name HD2 ))
      6.000     4.500     0.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.10897E-02 ppm1      2.310 ppm2      3.267 CV     1
 OR { 1497}
   (( segid "   A" and resid 203  and name HG1 ))
   (( segid "   A" and resid 206  and name HD2 ))
 OR { 1497}
   (( segid "   A" and resid 203  and name HG2 ))
   (( segid "   A" and resid 206  and name HD1 ))
 OR { 1497}
   (( segid "   A" and resid 203  and name HG1 ))
   (( segid "   A" and resid 206  and name HD1 ))
 ASSI { 1499}
   (( segid "   A" and resid 249  and name HB2 ))
   (( segid "   A" and resid 249  and name HB1 ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.10019E-02 ppm1      2.569 ppm2      3.267 CV     1
 ASSI { 1500}
   (( segid "   A" and resid 206  and name HB1 ))
   (( segid "   A" and resid 206  and name HD2 ))
      6.000     4.500     0.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.78924E-02 ppm1      1.987 ppm2      3.262 CV     1
 OR { 1500}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 206  and name HD1 ))
 OR { 1500}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 206  and name HD2 ))
 OR { 1500}
   (( segid "   A" and resid 206  and name HB1 ))
   (( segid "   A" and resid 206  and name HD1 ))
 ASSI { 1501}
   (( segid "   A" and resid 206  and name HG1 ))
   (( segid "   A" and resid 206  and name HD2 ))
      6.000     4.500     0.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.68233E-02 ppm1      1.995 ppm2      3.265 CV     1
 OR { 1501}
   (( segid "   A" and resid 206  and name HG1 ))
   (( segid "   A" and resid 206  and name HD1 ))
 ASSI { 1502}
   (( segid "   A" and resid 206  and name HG2 ))
   (( segid "   A" and resid 206  and name HD1 ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.86156E-02 ppm1      1.747 ppm2      3.255 CV     1
 OR { 1502}
   (( segid "   A" and resid 206  and name HG2 ))
   (( segid "   A" and resid 206  and name HD2 ))
 ASSI { 1503}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 249  and name HB1 ))
      6.000     4.500     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.79389E-03 ppm1      1.326 ppm2      3.271 CV     1
 ASSI { 1504}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 249  and name HB1 ))
      6.000     4.500     0.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.14950E-02 ppm1     -0.085 ppm2      3.270 CV     1
 ASSI { 1505}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 249  and name HB1 ))
      6.000     4.500     0.000 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.86156E-03 ppm1      0.087 ppm2      3.271 CV     1
 ASSI { 1506}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 206  and name HD1 ))
      6.000     4.500     0.000 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.14734E-02 ppm1      1.147 ppm2      3.268 CV     1
 OR { 1506}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 206  and name HD2 ))
 OR { 1506}
   (  segid "   A" and resid 207  and name HB% )
   (( segid "   A" and resid 206  and name HD2 ))
 ASSI { 1507}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 206  and name HD1 ))
      6.000     4.500     0.000 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.81746E-03 ppm1      1.561 ppm2      3.268 CV     1
 OR { 1507}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 206  and name HD2 ))
 ASSI { 1509}
   (( segid "   A" and resid 137  and name HB2 ))
   (( segid "   A" and resid 137  and name HD2 ))
      6.000     4.500     0.000 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.84016E-03 ppm1      2.048 ppm2      3.200 CV     1
 ASSI { 1511}
   (( segid "   A" and resid 136  and name HA2 ))
   (( segid "   A" and resid 137  and name HD2 ))
      6.000     4.500     0.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.73109E-03 ppm1      4.090 ppm2      3.187 CV     1
 ASSI { 1512}
   (( segid "   A" and resid 130  and name HG1 ))
   (( segid "   A" and resid 129  and name HD1 ))
      6.000     4.500     0.000 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.17177E-02 ppm1      2.411 ppm2      3.174 CV     1
 ASSI { 1513}
   (( segid "   A" and resid 137  and name HB1 ))
   (( segid "   A" and resid 137  and name HD2 ))
      6.000     4.500     0.000 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.72417E-03 ppm1      2.343 ppm2      3.177 CV     1
 ASSI { 1514}
   (( segid "   A" and resid 129  and name HB1 ))
   (( segid "   A" and resid 129  and name HD1 ))
      6.000     4.500     0.000 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.60374E-02 ppm1      1.870 ppm2      3.172 CV     1
 ASSI { 1515}
   (( segid "   A" and resid 137  and name HG1 ))
   (( segid "   A" and resid 137  and name HD2 ))
      6.000     4.500     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.97269E-03 ppm1      2.288 ppm2      3.188 CV     1
 ASSI { 1516}
   (( segid "   A" and resid 137  and name HG2 ))
   (( segid "   A" and resid 137  and name HD2 ))
      6.000     4.500     0.000 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.15231E-02 ppm1      2.207 ppm2      3.182 CV     1
 ASSI { 1517}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 137  and name HD2 ))
      6.000     4.500     0.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.18366E-02 ppm1      1.058 ppm2      3.179 CV     1
 ASSI { 1518}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 137  and name HD2 ))
      6.000     4.500     0.000 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.29912E-02 ppm1      0.778 ppm2      3.175 CV     1
 ASSI { 1523}
   (( segid "   A" and resid 129  and name HD2 ))
   (( segid "   A" and resid 129  and name HD1 ))
      6.000     4.500     0.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.11534E-01 ppm1      3.330 ppm2      3.153 CV     1
 ASSI { 1524}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 243  and name HB1 ))
      6.000     4.500     0.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.42851E-02 ppm1      2.398 ppm2      3.150 CV     1
 ASSI { 1526}
   (( segid "   A" and resid 210  and name HG2 ))
   (( segid "   A" and resid 210  and name HD2 ))
      6.000     4.500     0.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.43857E-02 ppm1      1.721 ppm2      3.153 CV     1
 OR { 1526}
   (( segid "   A" and resid 210  and name HG2 ))
   (( segid "   A" and resid 210  and name HD1 ))
 ASSI { 1527}
   (( segid "   A" and resid 210  and name HG1 ))
   (( segid "   A" and resid 210  and name HD1 ))
      6.000     4.500     0.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.29912E-02 ppm1      1.470 ppm2      3.166 CV     1
 OR { 1527}
   (( segid "   A" and resid 210  and name HG1 ))
   (( segid "   A" and resid 210  and name HD2 ))
 ASSI { 1528}
   (( segid "   A" and resid 129  and name HG2 ))
   (( segid "   A" and resid 129  and name HD1 ))
      6.000     4.500     0.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.28376E-02 ppm1      1.531 ppm2      3.153 CV     1
 OR { 1528}
   (( segid "   A" and resid 129  and name HG1 ))
   (( segid "   A" and resid 129  and name HD1 ))
 ASSI { 1529}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.19480E-02 ppm1      0.925 ppm2      3.161 CV     1
 ASSI { 1530}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 281  and name HD1 ))
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.45856E-02 ppm1      0.700 ppm2      3.144 CV     1
 OR { 1530}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 120  and name HB2 ))
 ASSI { 1531}
   (  segid "   A" and resid 246  and name HG2%)
   (( segid "   A" and resid 243  and name HB1 ))
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.21317E-02 ppm1      1.179 ppm2      3.161 CV     1
 ASSI { 1532}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 129  and name HD1 ))
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.84405E-03 ppm1      0.533 ppm2      3.150 CV     1
 ASSI { 1533}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 129  and name HD1 ))
      6.000     4.500     0.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.35133E-02 ppm1      0.733 ppm2      3.159 CV     1
 OR { 1533}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 129  and name HD1 ))
 ASSI { 1534}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 160  and name HB1 ))
      6.000     4.500     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.90048E-03 ppm1      5.114 ppm2      3.124 CV     1
 ASSI { 1535}
   (( segid "   A" and resid 120  and name HB1 ))
   (( segid "   A" and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.11675E-02 ppm1      2.750 ppm2      3.135 CV     1
 ASSI { 1536}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 281  and name HD2 ))
      6.000     4.500     0.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.11880E-02 ppm1      1.010 ppm2      3.138 CV     1
 OR { 1536}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 281  and name HD1 ))
 ASSI { 1537}
   (  segid "   A" and resid 123  and name HD2%)
   (( segid "   A" and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.16993E-02 ppm1      0.951 ppm2      3.136 CV     1
 ASSI { 1538}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 160  and name HB1 ))
      6.000     4.500     0.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.20734E-02 ppm1      0.649 ppm2      3.139 CV     1
 ASSI { 1539}
   (( segid "   A" and resid 132  and name HA  ))
   (( segid "   A" and resid 134  and name HD2 ))
      6.000     4.500     0.000 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.67498E-03 ppm1      4.741 ppm2      3.091 CV     1
 ASSI { 1541}
   (( segid "   A" and resid 146  and name HB2 ))
   (( segid "   A" and resid 146  and name HB1 ))
      6.000     4.500     0.000 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.33176E-02 ppm1      2.300 ppm2      3.096 CV     1
 ASSI { 1542}
   (( segid "   A" and resid 160  and name HB2 ))
   (( segid "   A" and resid 160  and name HB1 ))
      6.000     4.500     0.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.59964E-03 ppm1      2.779 ppm2      3.100 CV     1
 ASSI { 1543}
   (( segid "   A" and resid 134  and name HB1 ))
   (( segid "   A" and resid 134  and name HD2 ))
      6.000     4.500     0.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.46343E-03 ppm1      0.290 ppm2      3.092 CV     1
 ASSI { 1544}
   (( segid "   A" and resid 281  and name HG2 ))
   (( segid "   A" and resid 281  and name HD2 ))
      6.000     4.500     0.000 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.10450E-02 ppm1      0.968 ppm2      3.106 CV     1
 ASSI { 1545}
   (  segid "   A" and resid 148  and name HG2%)
   (( segid "   A" and resid 146  and name HB1 ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.11048E-02 ppm1      0.886 ppm2      3.086 CV     1
 OR { 1545}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 281  and name HD2 ))
 OR { 1545}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 113  and name HD2 ))
 ASSI { 1546}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 134  and name HD2 ))
      6.000     4.500     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.25858E-02 ppm1      1.608 ppm2      3.087 CV     1
 ASSI { 1547}
   (( segid "   A" and resid 134  and name HA  ))
   (( segid "   A" and resid 134  and name HD2 ))
      6.000     4.500     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.77919E-03 ppm1      4.023 ppm2      3.082 CV     1
 ASSI { 1549}
   (( segid "   A" and resid 113  and name HA  ))
   (( segid "   A" and resid 112  and name HB2 ))
      6.000     4.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.56558E-03 ppm1      5.352 ppm2      3.066 CV     1
 OR { 1549}
   (( segid "   A" and resid 113  and name HA  ))
   (( segid "   A" and resid 113  and name HD2 ))
 ASSI { 1550}
   (( segid "   A" and resid 109  and name HA  ))
   (( segid "   A" and resid 112  and name HB2 ))
      6.000     4.500     0.000 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.90599E-03 ppm1      4.102 ppm2      3.059 CV     1
 ASSI { 1552}
   (( segid "   A" and resid 113  and name HD1 ))
   (( segid "   A" and resid 113  and name HD2 ))
      6.000     4.500     0.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.96610E-02 ppm1      2.901 ppm2      3.068 CV     1
 ASSI { 1554}
   (( segid "   A" and resid 113  and name HB2 ))
   (( segid "   A" and resid 113  and name HD2 ))
      6.000     4.500     0.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.15956E-02 ppm1      1.733 ppm2      3.060 CV     1
 ASSI { 1555}
   (( segid "   A" and resid 217  and name HB1 ))
   (( segid "   A" and resid 217  and name HB2 ))
      6.000     4.500     0.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.10033E-02 ppm1      2.790 ppm2      3.069 CV     1
 ASSI { 1556}
   (( segid "   A" and resid 113  and name HG1 ))
   (( segid "   A" and resid 113  and name HD2 ))
      6.000     4.500     0.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.17199E-02 ppm1      1.393 ppm2      3.074 CV     1
 ASSI { 1557}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 217  and name HB2 ))
      6.000     4.500     0.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.23544E-02 ppm1      0.903 ppm2      3.059 CV     1
 ASSI { 1558}
   (  segid "   A" and resid 149  and name HG2%)
   (( segid "   A" and resid 146  and name HB1 ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.10199E-02 ppm1      1.098 ppm2      3.084 CV     1
 ASSI { 1559}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 112  and name HB2 ))
      6.000     4.500     0.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.18291E-02 ppm1      1.438 ppm2      3.066 CV     1
 OR { 1559}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 112  and name HB2 ))
 OR { 1559}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 113  and name HD2 ))
 OR { 1559}
   (  segid "   A" and resid 260  and name HB% )
   (( segid "   A" and resid 259  and name HE2 ))
 ASSI { 1560}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 113  and name HD2 ))
      6.000     4.500     0.000 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.10241E-02 ppm1      0.836 ppm2      3.068 CV     1
 ASSI { 1562}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 259  and name HE2 ))
      6.000     4.500     0.000 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.50159E-03 ppm1      3.908 ppm2      3.047 CV     1
 OR { 1562}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 259  and name HE1 ))
 ASSI { 1563}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 112  and name HB2 ))
      6.000     4.500     0.000 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.56904E-03 ppm1      2.020 ppm2      3.062 CV     1
 OR { 1563}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 112  and name HB2 ))
 ASSI { 1567}
   (( segid "   A" and resid 205  and name HA  ))
   (( segid "   A" and resid 208  and name HB1 ))
      6.000     4.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.72709E-03 ppm1      3.864 ppm2      3.007 CV     1
 ASSI { 1568}
   (( segid "   A" and resid 244  and name HD2 ))
   (( segid "   A" and resid 242  and name HD2 ))
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.60309E-03 ppm1      4.085 ppm2      3.010 CV     1
 OR { 1568}
   (( segid "   A" and resid 244  and name HD2 ))
   (( segid "   A" and resid 250  and name HE1 ))
 ASSI { 1569}
   (( segid "   A" and resid 214  and name HA  ))
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.59823E-03 ppm1      5.107 ppm2      3.008 CV     1
 ASSI { 1571}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.21512E-02 ppm1      1.272 ppm2      3.014 CV     1
 ASSI { 1572}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 224  and name HB1 ))
      6.000     4.500     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.70449E-03 ppm1      0.477 ppm2      3.021 CV     1
 ASSI { 1573}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 224  and name HB1 ))
      6.000     4.500     0.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.96577E-03 ppm1      0.632 ppm2      3.006 CV     1
 ASSI { 1574}
   (( segid "   A" and resid 227  and name HB1 ))
   (( segid "   A" and resid 224  and name HB1 ))
      6.000     4.500     0.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.13577E-02 ppm1      4.009 ppm2      2.984 CV     1
 OR { 1574}
   (( segid "   A" and resid 118  and name HB1 ))
   (( segid "   A" and resid 181  and name HD2 ))
 OR { 1574}
   (( segid "   A" and resid 118  and name HB1 ))
   (( segid "   A" and resid 181  and name HD1 ))
 OR { 1574}
   (( segid "   A" and resid 227  and name HB2 ))
   (( segid "   A" and resid 224  and name HB1 ))
 ASSI { 1575}
   (( segid "   A" and resid 263  and name HB1 ))
   (( segid "   A" and resid 284  and name HE2 ))
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.48083E-03 ppm1      3.814 ppm2      2.987 CV     1
 OR { 1575}
   (( segid "   A" and resid 263  and name HB1 ))
   (( segid "   A" and resid 284  and name HE1 ))
 ASSI { 1576}
   (( segid "   A" and resid 264  and name HA  ))
   (( segid "   A" and resid 284  and name HE2 ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.65336E-03 ppm1      3.952 ppm2      2.989 CV     1
 OR { 1576}
   (( segid "   A" and resid 264  and name HA  ))
   (( segid "   A" and resid 284  and name HE1 ))
 OR { 1576}
   (( segid "   A" and resid 118  and name HA  ))
   (( segid "   A" and resid 181  and name HD2 ))
 OR { 1576}
   (( segid "   A" and resid 118  and name HA  ))
   (( segid "   A" and resid 181  and name HD1 ))
 ASSI { 1577}
   (( segid "   A" and resid 264  and name HA  ))
   (( segid "   A" and resid 284  and name HE2 ))
      6.000     4.500     0.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.66525E-03 ppm1      3.919 ppm2      2.993 CV     1
 OR { 1577}
   (( segid "   A" and resid 264  and name HA  ))
   (( segid "   A" and resid 284  and name HE1 ))
 ASSI { 1579}
   (( segid "   A" and resid 242  and name HA  ))
   (( segid "   A" and resid 242  and name HD1 ))
      6.000     4.500     0.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.19955E-02 ppm1      4.713 ppm2      2.984 CV     1
 OR { 1579}
   (( segid "   A" and resid 242  and name HA  ))
   (( segid "   A" and resid 250  and name HE1 ))
 ASSI { 1580}
   (( segid "   A" and resid 220  and name HA  ))
   (( segid "   A" and resid 224  and name HB1 ))
      6.000     4.500     0.000 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.26020E-02 ppm1      4.616 ppm2      3.000 CV     1
 ASSI { 1582}
   (( segid "   A" and resid 190  and name HB1 ))
   (( segid "   A" and resid 190  and name HB2 ))
      6.000     4.500     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.71476E-02 ppm1      2.728 ppm2      2.981 CV     1
 ASSI { 1583}
   (( segid "   A" and resid 250  and name HB2 ))
   (( segid "   A" and resid 250  and name HE1 ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.23988E-02 ppm1      2.414 ppm2      2.977 CV     1
 OR { 1583}
   (( segid "   A" and resid 193  and name HG1 ))
   (( segid "   A" and resid 190  and name HB2 ))
 OR { 1583}
   (( segid "   A" and resid 193  and name HG2 ))
   (( segid "   A" and resid 190  and name HB2 ))
 ASSI { 1584}
   (( segid "   A" and resid 264  and name HG1 ))
   (( segid "   A" and resid 284  and name HE2 ))
      6.000     4.500     0.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.18258E-02 ppm1      2.360 ppm2      2.984 CV     1
 OR { 1584}
   (( segid "   A" and resid 264  and name HG1 ))
   (( segid "   A" and resid 284  and name HE1 ))
 OR { 1584}
   (( segid "   A" and resid 264  and name HG2 ))
   (( segid "   A" and resid 284  and name HE2 ))
 OR { 1584}
   (( segid "   A" and resid 264  and name HG2 ))
   (( segid "   A" and resid 284  and name HE1 ))
 ASSI { 1585}
   (( segid "   A" and resid 284  and name HB2 ))
   (( segid "   A" and resid 284  and name HE1 ))
      6.000     4.500     0.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.94913E-03 ppm1      1.981 ppm2      2.984 CV     1
 OR { 1585}
   (( segid "   A" and resid 284  and name HB2 ))
   (( segid "   A" and resid 284  and name HE2 ))
 ASSI { 1588}
   (( segid "   A" and resid 137  and name HG2 ))
   (( segid "   A" and resid 250  and name HE1 ))
      6.000     4.500     0.000 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.89486E-03 ppm1      2.204 ppm2      2.980 CV     1
 ASSI { 1589}
   (( segid "   A" and resid 181  and name HG2 ))
   (( segid "   A" and resid 181  and name HD2 ))
      6.000     4.500     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.87929E-02 ppm1      1.536 ppm2      3.000 CV     1
 OR { 1589}
   (( segid "   A" and resid 181  and name HG1 ))
   (( segid "   A" and resid 181  and name HD1 ))
 OR { 1589}
   (( segid "   A" and resid 181  and name HG2 ))
   (( segid "   A" and resid 181  and name HD1 ))
 ASSI { 1590}
   (( segid "   A" and resid 284  and name HG2 ))
   (( segid "   A" and resid 284  and name HE1 ))
      6.000     4.500     0.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.41911E-02 ppm1      1.533 ppm2      2.986 CV     1
 OR { 1590}
   (( segid "   A" and resid 284  and name HG1 ))
   (( segid "   A" and resid 284  and name HE2 ))
 OR { 1590}
   (( segid "   A" and resid 284  and name HG2 ))
   (( segid "   A" and resid 284  and name HE2 ))
 OR { 1590}
   (( segid "   A" and resid 284  and name HG1 ))
   (( segid "   A" and resid 284  and name HE1 ))
 ASSI { 1592}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.55099E-03 ppm1     -0.083 ppm2      2.996 CV     1
 OR { 1592}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 224  and name HB1 ))
 OR { 1592}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 242  and name HD2 ))
 ASSI { 1593}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 224  and name HB1 ))
      6.000     4.500     0.000 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.26409E-02 ppm1      0.693 ppm2      3.000 CV     1
 ASSI { 1594}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 181  and name HD2 ))
      6.000     4.500     0.000 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.14442E-02 ppm1      0.926 ppm2      2.992 CV     1
 OR { 1594}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 181  and name HD1 ))
 OR { 1594}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 184  and name HE2 ))
 ASSI { 1596}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 284  and name HE1 ))
      6.000     4.500     0.000 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.12853E-02 ppm1      0.782 ppm2      2.987 CV     1
 OR { 1596}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 284  and name HE2 ))
 ASSI { 1597}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.10283E-02 ppm1      0.373 ppm2      2.987 CV     1
 OR { 1597}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 252  and name HB2 ))
 ASSI { 1598}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.68093E-03 ppm1      0.083 ppm2      2.998 CV     1
 OR { 1598}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 224  and name HB1 ))
 OR { 1598}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 242  and name HD2 ))
 ASSI { 1600}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.11534E-02 ppm1      0.404 ppm2      2.990 CV     1
 OR { 1600}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 252  and name HB2 ))
 ASSI { 1601}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 181  and name HD2 ))
      6.000     4.500     0.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.14583E-02 ppm1      0.952 ppm2      2.987 CV     1
 OR { 1601}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 181  and name HD1 ))
 OR { 1601}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 284  and name HE2 ))
 OR { 1601}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 284  and name HE1 ))
 ASSI { 1602}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 181  and name HD1 ))
      6.000     4.500     0.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.83713E-03 ppm1      1.916 ppm2      3.002 CV     1
 OR { 1602}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 181  and name HD2 ))
 ASSI { 1603}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 190  and name HB2 ))
      6.000     4.500     0.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.14302E-02 ppm1      0.729 ppm2      2.983 CV     1
 ASSI { 1604}
   (( segid "   A" and resid 263  and name HB1 ))
   (( segid "   A" and resid 284  and name HE2 ))
      6.000     4.500     0.000 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.47381E-03 ppm1      3.805 ppm2      2.967 CV     1
 OR { 1604}
   (( segid "   A" and resid 263  and name HB1 ))
   (( segid "   A" and resid 284  and name HE1 ))
 ASSI { 1606}
   (( segid "   A" and resid 139  and name HA  ))
   (( segid "   A" and resid 139  and name HE2 ))
      6.000     4.500     0.000 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.20042E-02 ppm1      4.293 ppm2      2.957 CV     1
 OR { 1606}
   (( segid "   A" and resid 236  and name HA  ))
   (( segid "   A" and resid 236  and name HE2 ))
 OR { 1606}
   (( segid "   A" and resid 139  and name HA  ))
   (( segid "   A" and resid 139  and name HE1 ))
 OR { 1606}
   (( segid "   A" and resid 236  and name HA  ))
   (( segid "   A" and resid 236  and name HE1 ))
 ASSI { 1607}
   (( segid "   A" and resid 249  and name HA  ))
   (( segid "   A" and resid 242  and name HD1 ))
      6.000     4.500     0.000 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.90048E-03 ppm1      5.382 ppm2      2.960 CV     1
 OR { 1607}
   (( segid "   A" and resid 249  and name HA  ))
   (( segid "   A" and resid 250  and name HE2 ))
 ASSI { 1609}
   (( segid "   A" and resid 270  and name HA  ))
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.14302E-02 ppm1      4.960 ppm2      2.956 CV     1
 ASSI { 1610}
   (( segid "   A" and resid 243  and name HA  ))
   (( segid "   A" and resid 250  and name HE2 ))
      6.000     4.500     0.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      4.916 ppm2      2.969 CV     1
 ASSI { 1611}
   (( segid "   A" and resid 185  and name HB  ))
   (( segid "   A" and resid 174  and name HB2 ))
      6.000     4.500     0.000 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.27674E-02 ppm1      1.878 ppm2      2.957 CV     1
 ASSI { 1612}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HE1 ))
      6.000     4.500     0.000 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.23674E-02 ppm1      1.498 ppm2      2.959 CV     1
 OR { 1612}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HE2 ))
 ASSI { 1613}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 236  and name HE1 ))
      6.000     4.500     0.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.24917E-02 ppm1      1.688 ppm2      2.957 CV     1
 OR { 1613}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 236  and name HE2 ))
 ASSI { 1614}
   (( segid "   A" and resid 242  and name HB1 ))
   (( segid "   A" and resid 242  and name HD1 ))
      6.000     4.500     0.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.19037E-02 ppm1      1.628 ppm2      2.974 CV     1
 ASSI { 1615}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 236  and name HE1 ))
      6.000     4.500     0.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.99496E-03 ppm1      1.951 ppm2      2.971 CV     1
 OR { 1615}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 236  and name HE2 ))
 ASSI { 1616}
   (( segid "   A" and resid 137  and name HG1 ))
   (( segid "   A" and resid 250  and name HE2 ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.67401E-03 ppm1      2.280 ppm2      2.959 CV     1
 ASSI { 1617}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 242  and name HD1 ))
      6.000     4.500     0.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.26063E-02 ppm1      1.329 ppm2      2.970 CV     1
 ASSI { 1618}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.16777E-02 ppm1      1.052 ppm2      2.964 CV     1
 ASSI { 1619}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 236  and name HE2 ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.12518E-01 ppm1      1.351 ppm2      2.957 CV     1
 OR { 1619}
   (( segid "   A" and resid 248  and name HG1 ))
   (( segid "   A" and resid 248  and name HE2 ))
 OR { 1619}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 236  and name HE2 ))
 OR { 1619}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 236  and name HE1 ))
 OR { 1619}
   (( segid "   A" and resid 248  and name HG2 ))
   (( segid "   A" and resid 248  and name HE1 ))
 OR { 1619}
   (( segid "   A" and resid 248  and name HG2 ))
   (( segid "   A" and resid 248  and name HE2 ))
 OR { 1619}
   (( segid "   A" and resid 139  and name HG2 ))
   (( segid "   A" and resid 139  and name HE2 ))
 OR { 1619}
   (( segid "   A" and resid 248  and name HG1 ))
   (( segid "   A" and resid 248  and name HE1 ))
 ASSI { 1620}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 174  and name HB2 ))
      6.000     4.500     0.000 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.23988E-02 ppm1      0.803 ppm2      2.964 CV     1
 ASSI { 1621}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.75854E-03 ppm1      1.043 ppm2      2.970 CV     1
 ASSI { 1622}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.10102E-02 ppm1      0.868 ppm2      2.968 CV     1
 ASSI { 1623}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 174  and name HB2 ))
      6.000     4.500     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.50461E-02 ppm1      0.987 ppm2      2.952 CV     1
 OR { 1623}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 273  and name HB2 ))
 ASSI { 1624}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 284  and name HE2 ))
      6.000     4.500     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.32657E-02 ppm1      0.962 ppm2      2.975 CV     1
 OR { 1624}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 284  and name HE1 ))
 ASSI { 1625}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 242  and name HD1 ))
      6.000     4.500     0.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.29003E-02 ppm1      0.778 ppm2      2.975 CV     1
 ASSI { 1626}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.18291E-02 ppm1      0.183 ppm2      2.961 CV     1
 ASSI { 1627}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.49262E-03 ppm1      0.232 ppm2      2.966 CV     1
 ASSI { 1628}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 248  and name HE2 ))
      6.000     4.500     0.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.83130E-03 ppm1      4.268 ppm2      2.933 CV     1
 OR { 1628}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 248  and name HE1 ))
 ASSI { 1629}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 139  and name HE2 ))
      6.000     4.500     0.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.58710E-03 ppm1      3.740 ppm2      2.935 CV     1
 OR { 1629}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 139  and name HE1 ))
 ASSI { 1630}
   (( segid "   A" and resid 288  and name HA  ))
   (( segid "   A" and resid 208  and name HB2 ))
      6.000     4.500     0.000 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.50234E-03 ppm1      4.355 ppm2      2.928 CV     1
 ASSI { 1631}
   (( segid "   A" and resid 161  and name HA  ))
   (( segid "   A" and resid 139  and name HE1 ))
      6.000     4.500     0.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.10394E-02 ppm1      4.200 ppm2      2.930 CV     1
 OR { 1631}
   (( segid "   A" and resid 161  and name HA  ))
   (( segid "   A" and resid 139  and name HE2 ))
 ASSI { 1633}
   (( segid "   A" and resid 152  and name HA  ))
   (( segid "   A" and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.14486E-02 ppm1      5.002 ppm2      2.933 CV     1
 OR { 1633}
   (( segid "   A" and resid 152  and name HA  ))
   (( segid "   A" and resid 152  and name HB1 ))
 ASSI { 1634}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 139  and name HE2 ))
      6.000     4.500     0.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.12572E-02 ppm1      1.417 ppm2      2.935 CV     1
 OR { 1634}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 139  and name HE1 ))
 ASSI { 1636}
   (( segid "   A" and resid 161  and name HB2 ))
   (( segid "   A" and resid 139  and name HE1 ))
      6.000     4.500     0.000 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.76546E-03 ppm1      2.221 ppm2      2.944 CV     1
 OR { 1636}
   (( segid "   A" and resid 161  and name HB2 ))
   (( segid "   A" and resid 139  and name HE2 ))
 ASSI { 1637}
   (( segid "   A" and resid 137  and name HB2 ))
   (( segid "   A" and resid 250  and name HE2 ))
      6.000     4.500     0.000 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.73109E-03 ppm1      2.045 ppm2      2.935 CV     1
 OR { 1637}
   (( segid "   A" and resid 270  and name HB2 ))
   (( segid "   A" and resid 271  and name HB2 ))
 OR { 1637}
   (( segid "   A" and resid 159  and name HB2 ))
   (( segid "   A" and resid 157  and name HB1 ))
 ASSI { 1638}
   (( segid "   A" and resid 248  and name HD1 ))
   (( segid "   A" and resid 248  and name HE1 ))
      6.000     4.500     0.000 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.19750E-01 ppm1      1.594 ppm2      2.933 CV     1
 OR { 1638}
   (( segid "   A" and resid 248  and name HD2 ))
   (( segid "   A" and resid 248  and name HE2 ))
 OR { 1638}
   (( segid "   A" and resid 248  and name HD1 ))
   (( segid "   A" and resid 248  and name HE2 ))
 ASSI { 1639}
   (  segid "   A" and resid 246  and name HG2%)
   (( segid "   A" and resid 248  and name HE2 ))
      6.000     4.500     0.000 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.29630E-02 ppm1      1.180 ppm2      2.934 CV     1
 OR { 1639}
   (  segid "   A" and resid 246  and name HG2%)
   (( segid "   A" and resid 248  and name HE1 ))
 ASSI { 1640}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 208  and name HB2 ))
      6.000     4.500     0.000 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.32863E-02 ppm1      1.514 ppm2      2.941 CV     1
 ASSI { 1641}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 208  and name HB2 ))
      6.000     4.500     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.18507E-02 ppm1      1.145 ppm2      2.936 CV     1
 OR { 1641}
   (  segid "   A" and resid 207  and name HB% )
   (( segid "   A" and resid 208  and name HB2 ))
 ASSI { 1642}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 113  and name HD1 ))
      6.000     4.500     0.000 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      1.434 ppm2      2.928 CV     1
 ASSI { 1643}
   (( segid "   A" and resid 271  and name HA  ))
   (( segid "   A" and resid 271  and name HB2 ))
      6.000     4.500     0.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.41240E-02 ppm1      4.469 ppm2      2.914 CV     1
 ASSI { 1646}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 113  and name HD1 ))
      6.000     4.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.72611E-03 ppm1      2.014 ppm2      2.913 CV     1
 OR { 1646}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 113  and name HD1 ))
 OR { 1646}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 157  and name HB1 ))
 OR { 1646}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 139  and name HE2 ))
 OR { 1646}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 139  and name HE1 ))
 ASSI { 1647}
   (( segid "   A" and resid 282  and name HB  ))
   (( segid "   A" and resid 271  and name HB2 ))
      6.000     4.500     0.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.12226E-02 ppm1      1.777 ppm2      2.897 CV     1
 ASSI { 1648}
   (( segid "   A" and resid 210  and name HG1 ))
   (( segid "   A" and resid 208  and name HB2 ))
      6.000     4.500     0.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      1.468 ppm2      2.921 CV     1
 ASSI { 1649}
   (( segid "   A" and resid 113  and name HG1 ))
   (( segid "   A" and resid 113  and name HD1 ))
      6.000     4.500     0.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.18237E-02 ppm1      1.391 ppm2      2.903 CV     1
 ASSI { 1650}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 113  and name HD1 ))
      6.000     4.500     0.000 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.97550E-03 ppm1      0.838 ppm2      2.916 CV     1
 ASSI { 1651}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      1.273 ppm2      2.908 CV     1
 OR { 1651}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 152  and name HB1 ))
 ASSI { 1652}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 113  and name HD1 ))
      6.000     4.500     0.000 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.14680E-02 ppm1      0.736 ppm2      2.918 CV     1
 OR { 1652}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 157  and name HB1 ))
 OR { 1652}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 157  and name HB1 ))
 OR { 1652}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 139  and name HE2 ))
 OR { 1652}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 139  and name HE1 ))
 OR { 1652}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 139  and name HE2 ))
 ASSI { 1654}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.64655E-03 ppm1      1.384 ppm2      2.867 CV     1
 ASSI { 1658}
   (( segid "   A" and resid 226  and name HD2 ))
   (( segid "   A" and resid 226  and name HE1 ))
      6.000     4.500     0.000 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.82481E-02 ppm1      1.640 ppm2      2.841 CV     1
 OR { 1658}
   (( segid "   A" and resid 226  and name HD1 ))
   (( segid "   A" and resid 226  and name HE2 ))
 OR { 1658}
   (( segid "   A" and resid 226  and name HD2 ))
   (( segid "   A" and resid 226  and name HE2 ))
 ASSI { 1659}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      0.883 ppm2      2.843 CV     1
 ASSI { 1660}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.13210E-02 ppm1      0.130 ppm2      2.852 CV     1
 ASSI { 1661}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.99356E-03 ppm1      0.030 ppm2      2.847 CV     1
 ASSI { 1662}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.18874E-02 ppm1      0.762 ppm2      2.842 CV     1
 ASSI { 1665}
   (( segid "   A" and resid 235  and name HA  ))
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.77530E-03 ppm1      4.057 ppm2      2.834 CV     1
 OR { 1665}
   (( segid "   A" and resid 235  and name HA  ))
   (( segid "   A" and resid 226  and name HE1 ))
 OR { 1665}
   (( segid "   A" and resid 235  and name HA  ))
   (( segid "   A" and resid 262  and name HB2 ))
 OR { 1665}
   (( segid "   A" and resid 158  and name HA  ))
   (( segid "   A" and resid 142  and name HB1 ))
 ASSI { 1667}
   (( segid "   A" and resid 142  and name HB2 ))
   (( segid "   A" and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.95377E-02 ppm1      2.608 ppm2      2.815 CV     1
 ASSI { 1668}
   (( segid "   A" and resid 235  and name HB  ))
   (( segid "   A" and resid 226  and name HE1 ))
      6.000     4.500     0.000 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      1.601 ppm2      2.839 CV     1
 ASSI { 1669}
   (( segid "   A" and resid 229  and name HB1 ))
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.73984E-03 ppm1      3.474 ppm2      2.821 CV     1
 ASSI { 1670}
   (( segid "   A" and resid 226  and name HB2 ))
   (( segid "   A" and resid 226  and name HE2 ))
      6.000     4.500     0.000 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.92264E-03 ppm1      1.980 ppm2      2.826 CV     1
 OR { 1670}
   (( segid "   A" and resid 226  and name HB1 ))
   (( segid "   A" and resid 226  and name HE1 ))
 OR { 1670}
   (( segid "   A" and resid 226  and name HB1 ))
   (( segid "   A" and resid 226  and name HE2 ))
 ASSI { 1671}
   (( segid "   A" and resid 255  and name HG12))
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.46137E-03 ppm1      0.568 ppm2      2.815 CV     1
 ASSI { 1672}
   (( segid "   A" and resid 226  and name HG1 ))
   (( segid "   A" and resid 226  and name HE1 ))
      6.000     4.500     0.000 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.15091E-02 ppm1      1.192 ppm2      2.830 CV     1
 OR { 1672}
   (( segid "   A" and resid 226  and name HG1 ))
   (( segid "   A" and resid 226  and name HE2 ))
 ASSI { 1674}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 226  and name HE1 ))
      6.000     4.500     0.000 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.57380E-02 ppm1      0.573 ppm2      2.827 CV     1
 OR { 1674}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 238  and name HB2 ))
 ASSI { 1675}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.39738E-02 ppm1      0.678 ppm2      2.821 CV     1
 ASSI { 1677}
   (( segid "   A" and resid 255  and name HA  ))
   (( segid "   A" and resid 238  and name HB2 ))
      6.000     4.500     0.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.56342E-03 ppm1      4.551 ppm2      2.805 CV     1
 OR { 1677}
   (( segid "   A" and resid 269  and name HA  ))
   (( segid "   A" and resid 271  and name HB1 ))
 ASSI { 1679}
   (( segid "   A" and resid 271  and name HA  ))
   (( segid "   A" and resid 271  and name HB1 ))
      6.000     4.500     0.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.35522E-02 ppm1      4.462 ppm2      2.807 CV     1
 ASSI { 1680}
   (( segid "   A" and resid 121  and name HB1 ))
   (( segid "   A" and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.32701E-02 ppm1      2.629 ppm2      2.799 CV     1
 ASSI { 1682}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 217  and name HB1 ))
      6.000     4.500     0.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.24009E-02 ppm1      0.903 ppm2      2.787 CV     1
 ASSI { 1683}
   (( segid "   A" and resid 238  and name HB1 ))
   (( segid "   A" and resid 238  and name HB2 ))
      6.000     4.500     0.000 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.16053E-02 ppm1      2.326 ppm2      2.808 CV     1
 ASSI { 1684}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 217  and name HB1 ))
      6.000     4.500     0.000 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.14507E-02 ppm1      0.692 ppm2      2.789 CV     1
 ASSI { 1685}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.85097E-03 ppm1      0.084 ppm2      2.785 CV     1
 OR { 1685}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 238  and name HB2 ))
 ASSI { 1686}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.23707E-02 ppm1      0.219 ppm2      2.803 CV     1
 ASSI { 1687}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.27674E-02 ppm1     -0.126 ppm2      2.803 CV     1
 ASSI { 1688}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 217  and name HB1 ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.71530E-03 ppm1      0.636 ppm2      2.790 CV     1
 ASSI { 1690}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 257  and name HB1 ))
      6.000     4.500     0.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.74579E-03 ppm1      4.843 ppm2      2.758 CV     1
 ASSI { 1691}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 160  and name HB2 ))
      6.000     4.500     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.80665E-03 ppm1      5.103 ppm2      2.765 CV     1
 ASSI { 1693}
   (( segid "   A" and resid 252  and name HA  ))
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.67898E-03 ppm1      5.597 ppm2      2.769 CV     1
 ASSI { 1694}
   (( segid "   A" and resid 214  and name HA  ))
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.73109E-03 ppm1      5.106 ppm2      2.758 CV     1
 ASSI { 1695}
   (( segid "   A" and resid 172  and name HG1 ))
   (( segid "   A" and resid 172  and name HG2 ))
      6.000     4.500     0.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.36798E-02 ppm1      2.406 ppm2      2.759 CV     1
 ASSI { 1697}
   (( segid "   A" and resid 172  and name HB1 ))
   (( segid "   A" and resid 172  and name HG2 ))
      6.000     4.500     0.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.95042E-03 ppm1      2.368 ppm2      2.767 CV     1
 ASSI { 1698}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 172  and name HG2 ))
      6.000     4.500     0.000 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      1.014 ppm2      2.759 CV     1
 ASSI { 1699}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 172  and name HG2 ))
      6.000     4.500     0.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.29674E-02 ppm1      0.803 ppm2      2.769 CV     1
 OR { 1699}
   (  segid "   A" and resid 178  and name HD1%)
   (( segid "   A" and resid 120  and name HB1 ))
 OR { 1699}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 172  and name HG2 ))
 ASSI { 1700}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 172  and name HG2 ))
      6.000     4.500     0.000 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.16529E-02 ppm1      0.894 ppm2      2.765 CV     1
 ASSI { 1701}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 160  and name HB2 ))
      6.000     4.500     0.000 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.11783E-02 ppm1      1.056 ppm2      2.759 CV     1
 OR { 1701}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 252  and name HB1 ))
 ASSI { 1703}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      0.343 ppm2      2.765 CV     1
 OR { 1703}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 254  and name HB2 ))
 ASSI { 1704}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.13426E-02 ppm1      0.404 ppm2      2.774 CV     1
 OR { 1704}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 254  and name HB2 ))
 ASSI { 1705}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 160  and name HB2 ))
      6.000     4.500     0.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.14302E-02 ppm1      1.461 ppm2      2.764 CV     1
 ASSI { 1706}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.61899E-03 ppm1      0.238 ppm2      2.762 CV     1
 OR { 1706}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 120  and name HB1 ))
 ASSI { 1707}
   (( segid "   A" and resid 149  and name HB  ))
   (( segid "   A" and resid 151  and name HE1 ))
      6.000     4.500     0.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.10886E-02 ppm1      4.114 ppm2      2.735 CV     1
 OR { 1707}
   (( segid "   A" and resid 149  and name HB  ))
   (( segid "   A" and resid 151  and name HE2 ))
 ASSI { 1708}
   (( segid "   A" and resid 263  and name HB2 ))
   (( segid "   A" and resid 257  and name HB1 ))
      6.000     4.500     0.000 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.95745E-03 ppm1      3.750 ppm2      2.734 CV     1
 OR { 1708}
   (( segid "   A" and resid 138  and name HA  ))
   (( segid "   A" and resid 160  and name HB2 ))
 ASSI { 1709}
   (( segid "   A" and resid 158  and name HA  ))
   (( segid "   A" and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.78903E-03 ppm1      4.064 ppm2      2.743 CV     1
 OR { 1709}
   (( segid "   A" and resid 235  and name HA  ))
   (( segid "   A" and resid 257  and name HB1 ))
 ASSI { 1710}
   (( segid "   A" and resid 262  and name HA  ))
   (( segid "   A" and resid 265  and name HB1 ))
      6.000     4.500     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.20431E-02 ppm1      4.004 ppm2      2.746 CV     1
 OR { 1710}
   (( segid "   A" and resid 262  and name HA  ))
   (( segid "   A" and resid 265  and name HB2 ))
 ASSI { 1714}
   (( segid "   A" and resid 274  and name HA  ))
   (( segid "   A" and resid 279  and name HB2 ))
      6.000     4.500     0.000 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.66028E-03 ppm1      4.323 ppm2      2.740 CV     1
 OR { 1714}
   (( segid "   A" and resid 278  and name HA  ))
   (( segid "   A" and resid 279  and name HB2 ))
 ASSI { 1716}
   (( segid "   A" and resid 151  and name HD1 ))
   (( segid "   A" and resid 151  and name HE2 ))
      6.000     4.500     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.50699E-02 ppm1      1.377 ppm2      2.734 CV     1
 OR { 1716}
   (( segid "   A" and resid 151  and name HD1 ))
   (( segid "   A" and resid 151  and name HE1 ))
 ASSI { 1717}
   (( segid "   A" and resid 151  and name HD2 ))
   (( segid "   A" and resid 151  and name HE1 ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.39803E-02 ppm1      1.298 ppm2      2.734 CV     1
 OR { 1717}
   (( segid "   A" and resid 151  and name HD2 ))
   (( segid "   A" and resid 151  and name HE2 ))
 ASSI { 1718}
   (  segid "   A" and resid 123  and name HD2%)
   (( segid "   A" and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.24182E-02 ppm1      0.949 ppm2      2.747 CV     1
 ASSI { 1719}
   (( segid "   A" and resid 151  and name HG2 ))
   (( segid "   A" and resid 151  and name HE1 ))
      6.000     4.500     0.000 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.25782E-02 ppm1      1.215 ppm2      2.736 CV     1
 OR { 1719}
   (( segid "   A" and resid 151  and name HG2 ))
   (( segid "   A" and resid 151  and name HE2 ))
 OR { 1719}
   (( segid "   A" and resid 151  and name HG1 ))
   (( segid "   A" and resid 151  and name HE1 ))
 OR { 1719}
   (( segid "   A" and resid 151  and name HG1 ))
   (( segid "   A" and resid 151  and name HE2 ))
 ASSI { 1720}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.21988E-02 ppm1      0.927 ppm2      2.751 CV     1
 ASSI { 1721}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.21955E-02 ppm1      1.271 ppm2      2.750 CV     1
 ASSI { 1722}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 279  and name HB2 ))
      6.000     4.500     0.000 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.50386E-02 ppm1      0.700 ppm2      2.736 CV     1
 ASSI { 1723}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.12832E-02 ppm1      0.882 ppm2      2.756 CV     1
 OR { 1723}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 160  and name HB2 ))
 ASSI { 1724}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 160  and name HB2 ))
      6.000     4.500     0.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.17264E-02 ppm1      0.647 ppm2      2.756 CV     1
 ASSI { 1725}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 160  and name HB2 ))
      6.000     4.500     0.000 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      0.778 ppm2      2.742 CV     1
 ASSI { 1726}
   (( segid "   A" and resid 263  and name HB1 ))
   (( segid "   A" and resid 257  and name HB1 ))
      6.000     4.500     0.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.10477E-02 ppm1      3.799 ppm2      2.718 CV     1
 ASSI { 1728}
   (( segid "   A" and resid 232  and name HA  ))
   (( segid "   A" and resid 232  and name HB2 ))
      6.000     4.500     0.000 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.20291E-02 ppm1      4.248 ppm2      2.713 CV     1
 ASSI { 1729}
   (( segid "   A" and resid 265  and name HA  ))
   (( segid "   A" and resid 265  and name HB2 ))
      6.000     4.500     0.000 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.45024E-02 ppm1      4.243 ppm2      2.722 CV     1
 ASSI { 1737}
   (  segid "   A" and resid 149  and name HG2%)
   (( segid "   A" and resid 151  and name HE1 ))
      6.000     4.500     0.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.17199E-02 ppm1      1.096 ppm2      2.728 CV     1
 OR { 1737}
   (  segid "   A" and resid 149  and name HG2%)
   (( segid "   A" and resid 151  and name HE2 ))
 ASSI { 1738}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 232  and name HB2 ))
      6.000     4.500     0.000 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.26214E-02 ppm1      1.250 ppm2      2.717 CV     1
 ASSI { 1740}
   (( segid "   A" and resid 239  and name HB  ))
   (( segid "   A" and resid 254  and name HB1 ))
      6.000     4.500     0.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.51132E-03 ppm1      3.923 ppm2      2.742 CV     1
 ASSI { 1741}
   (( segid "   A" and resid 196  and name HA  ))
   (( segid "   A" and resid 199  and name HB2 ))
      6.000     4.500     0.000 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.19264E-02 ppm1      4.430 ppm2      2.685 CV     1
 ASSI { 1742}
   (( segid "   A" and resid 205  and name HA  ))
   (( segid "   A" and resid 204  and name HG2 ))
      6.000     4.500     0.000 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      3.871 ppm2      2.681 CV     1
 ASSI { 1744}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 209  and name HB1 ))
      6.000     4.500     0.000 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.16464E-02 ppm1      3.913 ppm2      2.663 CV     1
 ASSI { 1747}
   (( segid "   A" and resid 171  and name HG1 ))
   (( segid "   A" and resid 171  and name HG2 ))
      6.000     4.500     0.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.63671E-02 ppm1      2.239 ppm2      2.650 CV     1
 ASSI { 1748}
   (( segid "   A" and resid 171  and name HB2 ))
   (( segid "   A" and resid 171  and name HG2 ))
      6.000     4.500     0.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.23015E-02 ppm1      2.046 ppm2      2.651 CV     1
 ASSI { 1749}
   (( segid "   A" and resid 171  and name HB1 ))
   (( segid "   A" and resid 171  and name HG2 ))
      6.000     4.500     0.000 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.20647E-02 ppm1      2.160 ppm2      2.656 CV     1
 ASSI { 1750}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 171  and name HG2 ))
      6.000     4.500     0.000 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.28658E-02 ppm1      0.802 ppm2      2.674 CV     1
 ASSI { 1751}
   (  segid "   A" and resid 260  and name HB% )
   (( segid "   A" and resid 209  and name HB1 ))
      6.000     4.500     0.000 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.20064E-02 ppm1      1.417 ppm2      2.648 CV     1
 ASSI { 1752}
   (  segid "   A" and resid 207  and name HB% )
   (( segid "   A" and resid 204  and name HG2 ))
      6.000     4.500     0.000 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.12680E-02 ppm1      1.145 ppm2      2.661 CV     1
 OR { 1752}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 204  and name HG2 ))
 ASSI { 1753}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 199  and name HB2 ))
      6.000     4.500     0.000 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.73887E-03 ppm1      0.788 ppm2      2.664 CV     1
 OR { 1753}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 199  and name HB1 ))
 ASSI { 1754}
   (( segid "   A" and resid 239  and name HB  ))
   (( segid "   A" and resid 222  and name HB1 ))
      6.000     4.500     0.000 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.56839E-03 ppm1      3.931 ppm2      2.645 CV     1
 ASSI { 1756}
   (( segid "   A" and resid 239  and name HA  ))
   (( segid "   A" and resid 222  and name HB1 ))
      6.000     4.500     0.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.16194E-02 ppm1      4.863 ppm2      2.629 CV     1
 ASSI { 1757}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.96437E-03 ppm1      3.886 ppm2      2.621 CV     1
 ASSI { 1759}
   (( segid "   A" and resid 206  and name HB1 ))
   (( segid "   A" and resid 209  and name HB1 ))
      6.000     4.500     0.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      1.960 ppm2      2.647 CV     1
 OR { 1759}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 209  and name HB1 ))
 OR { 1759}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 204  and name HG2 ))
 OR { 1759}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 209  and name HB1 ))
 OR { 1759}
   (( segid "   A" and resid 206  and name HB1 ))
   (( segid "   A" and resid 204  and name HG2 ))
 ASSI { 1760}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.17956E-02 ppm1      0.892 ppm2      2.630 CV     1
 ASSI { 1761}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.90740E-03 ppm1      1.343 ppm2      2.623 CV     1
 ASSI { 1762}
   (( segid "   A" and resid 221  and name HB2 ))
   (( segid "   A" and resid 223  and name HB1 ))
      6.000     4.500     0.000 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.50440E-03 ppm1      4.178 ppm2      2.599 CV     1
 OR { 1762}
   (( segid "   A" and resid 221  and name HB2 ))
   (( segid "   A" and resid 222  and name HB2 ))
 ASSI { 1763}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 222  and name HB2 ))
      6.000     4.500     0.000 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.53153E-03 ppm1      3.951 ppm2      2.599 CV     1
 OR { 1763}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 223  and name HB1 ))
 OR { 1763}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 249  and name HB2 ))
 ASSI { 1764}
   (( segid "   A" and resid 111  and name HA  ))
   (( segid "   A" and resid 111  and name HG1 ))
      6.000     4.500     0.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.16507E-02 ppm1      3.885 ppm2      2.594 CV     1
 OR { 1764}
   (( segid "   A" and resid 111  and name HA  ))
   (( segid "   A" and resid 111  and name HG2 ))
 ASSI { 1768}
   (( segid "   A" and resid 223  and name HB2 ))
   (( segid "   A" and resid 223  and name HB1 ))
      6.000     4.500     0.000 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.14983E-01 ppm1      2.487 ppm2      2.597 CV     1
 ASSI { 1769}
   (( segid "   A" and resid 198  and name HG11))
   (( segid "   A" and resid 111  and name HG1 ))
      6.000     4.500     0.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.57942E-03 ppm1      1.236 ppm2      2.606 CV     1
 OR { 1769}
   (( segid "   A" and resid 198  and name HG11))
   (( segid "   A" and resid 111  and name HG2 ))
 ASSI { 1770}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.11426E-02 ppm1      1.014 ppm2      2.600 CV     1
 ASSI { 1771}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 222  and name HB2 ))
      6.000     4.500     0.000 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.15469E-02 ppm1      0.084 ppm2      2.605 CV     1
 OR { 1771}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 222  and name HB1 ))
 ASSI { 1772}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.16453E-02 ppm1      0.776 ppm2      2.610 CV     1
 OR { 1772}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 249  and name HB2 ))
 OR { 1772}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 222  and name HB2 ))
 ASSI { 1773}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 111  and name HG1 ))
      6.000     4.500     0.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.14994E-02 ppm1      0.838 ppm2      2.600 CV     1
 OR { 1773}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 111  and name HG2 ))
 ASSI { 1774}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.75757E-03 ppm1      0.596 ppm2      2.608 CV     1
 ASSI { 1775}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 111  and name HG2 ))
      6.000     4.500     0.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.55812E-02 ppm1      1.964 ppm2      2.596 CV     1
 OR { 1775}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 111  and name HG1 ))
 ASSI { 1776}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 111  and name HG1 ))
      6.000     4.500     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.17729E-02 ppm1      0.921 ppm2      2.609 CV     1
 OR { 1776}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 111  and name HG2 ))
 ASSI { 1777}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 111  and name HG1 ))
      6.000     4.500     0.000 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.29630E-02 ppm1      0.725 ppm2      2.602 CV     1
 OR { 1777}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 111  and name HG2 ))
 ASSI { 1779}
   (( segid "   A" and resid 242  and name HA  ))
   (( segid "   A" and resid 249  and name HB2 ))
      6.000     4.500     0.000 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      4.719 ppm2      2.578 CV     1
 ASSI { 1780}
   (( segid "   A" and resid 242  and name HD2 ))
   (( segid "   A" and resid 249  and name HB2 ))
      6.000     4.500     0.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.11837E-02 ppm1      3.017 ppm2      2.580 CV     1
 ASSI { 1781}
   (( segid "   A" and resid 235  and name HB  ))
   (( segid "   A" and resid 230  and name HG1 ))
      6.000     4.500     0.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.79292E-03 ppm1      1.600 ppm2      2.572 CV     1
 OR { 1781}
   (( segid "   A" and resid 235  and name HB  ))
   (( segid "   A" and resid 230  and name HG2 ))
 ASSI { 1783}
   (( segid "   A" and resid 226  and name HD1 ))
   (( segid "   A" and resid 230  and name HG1 ))
      6.000     4.500     0.000 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.14518E-02 ppm1      1.639 ppm2      2.573 CV     1
 OR { 1783}
   (( segid "   A" and resid 226  and name HD2 ))
   (( segid "   A" and resid 230  and name HG1 ))
 OR { 1783}
   (( segid "   A" and resid 226  and name HD1 ))
   (( segid "   A" and resid 230  and name HG2 ))
 OR { 1783}
   (( segid "   A" and resid 226  and name HD2 ))
   (( segid "   A" and resid 230  and name HG2 ))
 ASSI { 1784}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 249  and name HB2 ))
      6.000     4.500     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.85486E-03 ppm1      1.329 ppm2      2.589 CV     1
 ASSI { 1785}
   (( segid "   A" and resid 240  and name HG  ))
   (( segid "   A" and resid 222  and name HB2 ))
      6.000     4.500     0.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.74871E-03 ppm1      1.114 ppm2      2.582 CV     1
 ASSI { 1786}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 222  and name HB2 ))
      6.000     4.500     0.000 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.24182E-02 ppm1     -0.085 ppm2      2.591 CV     1
 ASSI { 1788}
   (( segid "   A" and resid 197  and name HA  ))
   (( segid "   A" and resid 200  and name HG1 ))
      6.000     4.500     0.000 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.78611E-03 ppm1      3.878 ppm2      2.544 CV     1
 ASSI { 1789}
   (( segid "   A" and resid 227  and name HA  ))
   (( segid "   A" and resid 230  and name HG2 ))
      6.000     4.500     0.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.10491E-02 ppm1      4.215 ppm2      2.558 CV     1
 OR { 1789}
   (( segid "   A" and resid 227  and name HA  ))
   (( segid "   A" and resid 230  and name HG1 ))
 ASSI { 1791}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 230  and name HG2 ))
      6.000     4.500     0.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.29598E-02 ppm1      5.047 ppm2      2.553 CV     1
 OR { 1791}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 230  and name HG1 ))
 ASSI { 1792}
   (( segid "   A" and resid 234  and name HA  ))
   (( segid "   A" and resid 230  and name HG1 ))
      6.000     4.500     0.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.20950E-02 ppm1      4.255 ppm2      2.561 CV     1
 OR { 1792}
   (( segid "   A" and resid 234  and name HA  ))
   (( segid "   A" and resid 230  and name HG2 ))
 ASSI { 1793}
   (( segid "   A" and resid 133  and name HA  ))
   (( segid "   A" and resid 130  and name HG2 ))
      6.000     4.500     0.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.10918E-02 ppm1      4.730 ppm2      2.552 CV     1
 ASSI { 1794}
   (( segid "   A" and resid 279  and name HB2 ))
   (( segid "   A" and resid 279  and name HB1 ))
      6.000     4.500     0.000 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.22236E-02 ppm1      2.735 ppm2      2.548 CV     1
 ASSI { 1795}
   (( segid "   A" and resid 200  and name HB1 ))
   (( segid "   A" and resid 200  and name HG1 ))
      6.000     4.500     0.000 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.63985E-02 ppm1      2.280 ppm2      2.544 CV     1
 OR { 1795}
   (( segid "   A" and resid 230  and name HB1 ))
   (( segid "   A" and resid 230  and name HG2 ))
 OR { 1795}
   (( segid "   A" and resid 230  and name HB1 ))
   (( segid "   A" and resid 230  and name HG1 ))
 ASSI { 1796}
   (( segid "   A" and resid 226  and name HG1 ))
   (( segid "   A" and resid 230  and name HG1 ))
      6.000     4.500     0.000 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.73498E-03 ppm1      1.187 ppm2      2.563 CV     1
 OR { 1796}
   (( segid "   A" and resid 226  and name HG1 ))
   (( segid "   A" and resid 230  and name HG2 ))
 ASSI { 1798}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 230  and name HG1 ))
      6.000     4.500     0.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.18874E-02 ppm1      0.574 ppm2      2.557 CV     1
 OR { 1798}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 230  and name HG2 ))
 ASSI { 1799}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 230  and name HG1 ))
      6.000     4.500     0.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.86848E-03 ppm1      0.216 ppm2      2.558 CV     1
 OR { 1799}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 230  and name HG2 ))
 ASSI { 1800}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 230  and name HG1 ))
      6.000     4.500     0.000 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.43240E-02 ppm1      0.677 ppm2      2.557 CV     1
 OR { 1800}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 230  and name HG2 ))
 ASSI { 1802}
   (( segid "   A" and resid 221  and name HB2 ))
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.54050E-03 ppm1      4.186 ppm2      2.527 CV     1
 ASSI { 1803}
   (( segid "   A" and resid 127  and name HA  ))
   (( segid "   A" and resid 130  and name HG2 ))
      6.000     4.500     0.000 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.73984E-03 ppm1      3.989 ppm2      2.538 CV     1
 ASSI { 1807}
   (( segid "   A" and resid 200  and name HG2 ))
   (( segid "   A" and resid 200  and name HG1 ))
      6.000     4.500     0.000 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.18939E-01 ppm1      2.346 ppm2      2.537 CV     1
 ASSI { 1808}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.99637E-03 ppm1      0.904 ppm2      2.528 CV     1
 ASSI { 1810}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 279  and name HB1 ))
      6.000     4.500     0.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.33327E-02 ppm1      0.803 ppm2      2.530 CV     1
 ASSI { 1811}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.70547E-03 ppm1      1.045 ppm2      2.523 CV     1
 ASSI { 1812}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 279  and name HB1 ))
      6.000     4.500     0.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.56515E-02 ppm1      0.700 ppm2      2.529 CV     1
 ASSI { 1813}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 130  and name HG2 ))
      6.000     4.500     0.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.77627E-03 ppm1      1.609 ppm2      2.538 CV     1
 ASSI { 1815}
   (( segid "   A" and resid 227  and name HB1 ))
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.19534E-02 ppm1      4.008 ppm2      2.496 CV     1
 OR { 1815}
   (( segid "   A" and resid 118  and name HB1 ))
   (( segid "   A" and resid 182  and name HB1 ))
 OR { 1815}
   (( segid "   A" and resid 118  and name HB1 ))
   (( segid "   A" and resid 182  and name HB2 ))
 ASSI { 1818}
   (( segid "   A" and resid 177  and name HA  ))
   (( segid "   A" and resid 182  and name HB2 ))
      6.000     4.500     0.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.83032E-03 ppm1      4.590 ppm2      2.488 CV     1
 OR { 1818}
   (( segid "   A" and resid 177  and name HA  ))
   (( segid "   A" and resid 182  and name HB1 ))
 ASSI { 1821}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.82535E-03 ppm1      0.972 ppm2      2.501 CV     1
 ASSI { 1822}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.23371E-02 ppm1      0.693 ppm2      2.509 CV     1
 ASSI { 1823}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.98242E-03 ppm1      0.629 ppm2      2.492 CV     1
 ASSI { 1825}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.52461E-03 ppm1      3.942 ppm2      2.482 CV     1
 OR { 1825}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 223  and name HB2 ))
 ASSI { 1826}
   (( segid "   A" and resid 274  and name HA  ))
   (( segid "   A" and resid 274  and name HB2 ))
      6.000     4.500     0.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.21145E-02 ppm1      4.306 ppm2      2.465 CV     1
 ASSI { 1827}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 182  and name HB1 ))
      6.000     4.500     0.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      0.950 ppm2      2.483 CV     1
 OR { 1827}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 182  and name HB2 ))
 OR { 1827}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 212  and name HB2 ))
 ASSI { 1828}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 182  and name HB2 ))
      6.000     4.500     0.000 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      1.915 ppm2      2.479 CV     1
 OR { 1828}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 182  and name HB1 ))
 ASSI { 1830}
   (( segid "   A" and resid 274  and name HB1 ))
   (( segid "   A" and resid 274  and name HB2 ))
      6.000     4.500     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.26723E-02 ppm1      2.211 ppm2      2.453 CV     1
 ASSI { 1831}
   (( segid "   A" and resid 250  and name HG2 ))
   (( segid "   A" and resid 250  and name HB2 ))
      6.000     4.500     0.000 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.10241E-02 ppm1      1.489 ppm2      2.437 CV     1
 ASSI { 1832}
   (( segid "   A" and resid 250  and name HG1 ))
   (( segid "   A" and resid 250  and name HB2 ))
      6.000     4.500     0.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.11253E-02 ppm1      1.346 ppm2      2.437 CV     1
 ASSI { 1833}
   (( segid "   A" and resid 127  and name HA  ))
   (( segid "   A" and resid 130  and name HG1 ))
      6.000     4.500     0.000 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.50440E-03 ppm1      3.993 ppm2      2.418 CV     1
 ASSI { 1834}
   (( segid "   A" and resid 193  and name HA  ))
   (( segid "   A" and resid 193  and name HG2 ))
      6.000     4.500     0.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.79260E-02 ppm1      4.172 ppm2      2.413 CV     1
 OR { 1834}
   (( segid "   A" and resid 193  and name HA  ))
   (( segid "   A" and resid 193  and name HG1 ))
 ASSI { 1835}
   (( segid "   A" and resid 190  and name HB2 ))
   (( segid "   A" and resid 193  and name HG1 ))
      6.000     4.500     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.84892E-03 ppm1      2.987 ppm2      2.422 CV     1
 OR { 1835}
   (( segid "   A" and resid 190  and name HB2 ))
   (( segid "   A" and resid 193  and name HG2 ))
 ASSI { 1836}
   (( segid "   A" and resid 250  and name HD2 ))
   (( segid "   A" and resid 250  and name HB2 ))
      6.000     4.500     0.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.25350E-02 ppm1      1.813 ppm2      2.427 CV     1
 ASSI { 1837}
   (( segid "   A" and resid 196  and name HA  ))
   (( segid "   A" and resid 196  and name HB2 ))
      6.000     4.500     0.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.35403E-02 ppm1      4.432 ppm2      2.375 CV     1
 ASSI { 1841}
   (( segid "   A" and resid 250  and name HE2 ))
   (( segid "   A" and resid 243  and name HB2 ))
      6.000     4.500     0.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.24409E-02 ppm1      2.945 ppm2      2.391 CV     1
 ASSI { 1843}
   (( segid "   A" and resid 196  and name HB1 ))
   (( segid "   A" and resid 196  and name HB2 ))
      6.000     4.500     0.000 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.42462E-02 ppm1      1.758 ppm2      2.377 CV     1
 ASSI { 1844}
   (( segid "   A" and resid 172  and name HB2 ))
   (( segid "   A" and resid 172  and name HB1 ))
      6.000     4.500     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.48970E-02 ppm1      1.739 ppm2      2.378 CV     1
 ASSI { 1845}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 169  and name HA  ))
      6.000     4.500     0.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.18950E-02 ppm1      0.920 ppm2      2.384 CV     1
 ASSI { 1846}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 130  and name HG1 ))
      6.000     4.500     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.90048E-03 ppm1      1.311 ppm2      2.388 CV     1
 ASSI { 1847}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 266  and name HA  ))
      6.000     4.500     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.75930E-02 ppm1      1.248 ppm2      2.398 CV     1
 ASSI { 1848}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 169  and name HA  ))
      6.000     4.500     0.000 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.62331E-02 ppm1      1.344 ppm2      2.392 CV     1
 ASSI { 1849}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 130  and name HG1 ))
      6.000     4.500     0.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.96577E-03 ppm1      1.610 ppm2      2.392 CV     1
 ASSI { 1850}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 169  and name HA  ))
      6.000     4.500     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.18237E-02 ppm1      1.385 ppm2      2.378 CV     1
 OR { 1850}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 172  and name HB1 ))
 ASSI { 1851}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 266  and name HA  ))
      6.000     4.500     0.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.99074E-03 ppm1      0.185 ppm2      2.389 CV     1
 ASSI { 1852}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 196  and name HB2 ))
      6.000     4.500     0.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.51878E-02 ppm1      0.786 ppm2      2.399 CV     1
 ASSI { 1853}
   (( segid "   A" and resid 245  and name HA  ))
   (( segid "   A" and resid 244  and name HB1 ))
      6.000     4.500     0.000 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.47456E-03 ppm1      4.198 ppm2      2.349 CV     1
 ASSI { 1854}
   (( segid "   A" and resid 164  and name HA  ))
   (( segid "   A" and resid 286  and name HB  ))
      6.000     4.500     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.14777E-02 ppm1      3.304 ppm2      2.352 CV     1
 ASSI { 1857}
   (( segid "   A" and resid 150  and name HA  ))
   (( segid "   A" and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.25393E-02 ppm1      3.891 ppm2      2.363 CV     1
 ASSI { 1858}
   (( segid "   A" and resid 244  and name HD2 ))
   (( segid "   A" and resid 244  and name HB1 ))
      6.000     4.500     0.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.10394E-02 ppm1      4.066 ppm2      2.358 CV     1
 ASSI { 1859}
   (( segid "   A" and resid 244  and name HD1 ))
   (( segid "   A" and resid 244  and name HB1 ))
      6.000     4.500     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.12615E-02 ppm1      4.002 ppm2      2.358 CV     1
 ASSI { 1861}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 172  and name HB1 ))
      6.000     4.500     0.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.18064E-02 ppm1      1.012 ppm2      2.356 CV     1
 OR { 1861}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 278  and name HG2 ))
 OR { 1861}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 167  and name HG2 ))
 ASSI { 1862}
   (  segid "   A" and resid 245  and name HG2%)
   (( segid "   A" and resid 244  and name HB1 ))
      6.000     4.500     0.000 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.14799E-02 ppm1      1.233 ppm2      2.347 CV     1
 ASSI { 1863}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 286  and name HB  ))
      6.000     4.500     0.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.15631E-01 ppm1      0.781 ppm2      2.360 CV     1
 ASSI { 1864}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 286  and name HB  ))
      6.000     4.500     0.000 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.28106E-02 ppm1      1.514 ppm2      2.352 CV     1
 ASSI { 1865}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 286  and name HB  ))
      6.000     4.500     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.12172E-01 ppm1      0.551 ppm2      2.362 CV     1
 ASSI { 1866}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 195  and name HG2 ))
      6.000     4.500     0.000 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.34463E-02 ppm1      0.922 ppm2      2.350 CV     1
 OR { 1866}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 195  and name HG1 ))
 ASSI { 1867}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 195  and name HG2 ))
      6.000     4.500     0.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.53694E-02 ppm1      0.725 ppm2      2.368 CV     1
 OR { 1867}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 195  and name HG1 ))
 ASSI { 1868}
   (( segid "   A" and resid 244  and name HA  ))
   (( segid "   A" and resid 244  and name HB1 ))
      6.000     4.500     0.000 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.65401E-02 ppm1      4.383 ppm2      2.342 CV     1
 ASSI { 1870}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 278  and name HG2 ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.23955E-02 ppm1      3.872 ppm2      2.334 CV     1
 OR { 1870}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 212  and name HB1 ))
 ASSI { 1871}
   (( segid "   A" and resid 111  and name HA  ))
   (( segid "   A" and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.46083E-02 ppm1      3.895 ppm2      2.343 CV     1
 OR { 1871}
   (( segid "   A" and resid 111  and name HA  ))
   (( segid "   A" and resid 111  and name HB2 ))
 ASSI { 1872}
   (( segid "   A" and resid 167  and name HA  ))
   (( segid "   A" and resid 167  and name HG2 ))
      6.000     4.500     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.13696E-02 ppm1      3.711 ppm2      2.329 CV     1
 ASSI { 1874}
   (( segid "   A" and resid 277  and name HA1 ))
   (( segid "   A" and resid 278  and name HG2 ))
      6.000     4.500     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.48916E-03 ppm1      4.066 ppm2      2.327 CV     1
 OR { 1874}
   (( segid "   A" and resid 136  and name HA2 ))
   (( segid "   A" and resid 137  and name HB1 ))
 ASSI { 1876}
   (( segid "   A" and resid 244  and name HB2 ))
   (( segid "   A" and resid 244  and name HB1 ))
      6.000     4.500     0.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.11880E-01 ppm1      2.028 ppm2      2.342 CV     1
 ASSI { 1877}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 203  and name HG2 ))
      6.000     4.500     0.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.27393E-02 ppm1      1.559 ppm2      2.321 CV     1
 OR { 1877}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 203  and name HG1 ))
 OR { 1877}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 200  and name HG2 ))
 ASSI { 1878}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.15783E-01 ppm1      1.964 ppm2      2.335 CV     1
 ASSI { 1879}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 288  and name HG1 ))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.54958E-03 ppm1      4.193 ppm2      2.309 CV     1
 OR { 1879}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 111  and name HB2 ))
 ASSI { 1880}
   (( segid "   A" and resid 229  and name HA  ))
   (( segid "   A" and resid 230  and name HB1 ))
      6.000     4.500     0.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.93799E-03 ppm1      4.179 ppm2      2.302 CV     1
 OR { 1880}
   (( segid "   A" and resid 229  and name HA  ))
   (( segid "   A" and resid 238  and name HB1 ))
 ASSI { 1882}
   (( segid "   A" and resid 287  and name HA  ))
   (( segid "   A" and resid 288  and name HG1 ))
      6.000     4.500     0.000 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.85194E-03 ppm1      4.654 ppm2      2.301 CV     1
 ASSI { 1883}
   (( segid "   A" and resid 212  and name HA  ))
   (( segid "   A" and resid 212  and name HB1 ))
      6.000     4.500     0.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.68687E-03 ppm1      4.710 ppm2      2.312 CV     1
 ASSI { 1886}
   (( segid "   A" and resid 288  and name HD2 ))
   (( segid "   A" and resid 288  and name HG1 ))
      6.000     4.500     0.000 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.71336E-03 ppm1      3.899 ppm2      2.300 CV     1
 ASSI { 1888}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 230  and name HB1 ))
      6.000     4.500     0.000 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      2.839 ppm2      2.303 CV     1
 OR { 1888}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 230  and name HB1 ))
 ASSI { 1889}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 230  and name HB1 ))
      6.000     4.500     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.44581E-02 ppm1      2.556 ppm2      2.293 CV     1
 OR { 1889}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 230  and name HB1 ))
 ASSI { 1891}
   (( segid "   A" and resid 288  and name HG2 ))
   (( segid "   A" and resid 288  and name HG1 ))
      6.000     4.500     0.000 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.20042E-02 ppm1      1.744 ppm2      2.309 CV     1
 ASSI { 1892}
   (( segid "   A" and resid 151  and name HG2 ))
   (( segid "   A" and resid 146  and name HB2 ))
      6.000     4.500     0.000 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.54126E-03 ppm1      1.206 ppm2      2.296 CV     1
 OR { 1892}
   (( segid "   A" and resid 151  and name HG1 ))
   (( segid "   A" and resid 146  and name HB2 ))
 ASSI { 1894}
   (  segid "   A" and resid 201  and name HD2%)
   (( segid "   A" and resid 288  and name HG1 ))
      6.000     4.500     0.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.48245E-02 ppm1      0.809 ppm2      2.293 CV     1
 OR { 1894}
   (  segid "   A" and resid 201  and name HD2%)
   (( segid "   A" and resid 204  and name HG1 ))
 ASSI { 1896}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 238  and name HB1 ))
      6.000     4.500     0.000 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.16550E-02 ppm1      0.218 ppm2      2.307 CV     1
 ASSI { 1897}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 238  and name HB1 ))
      6.000     4.500     0.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.29285E-02 ppm1      0.677 ppm2      2.297 CV     1
 OR { 1897}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 230  and name HB1 ))
 ASSI { 1898}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 238  and name HB1 ))
      6.000     4.500     0.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.12086E-02 ppm1     -0.125 ppm2      2.320 CV     1
 ASSI { 1901}
   (( segid "   A" and resid 229  and name HA  ))
   (( segid "   A" and resid 230  and name HB1 ))
      6.000     4.500     0.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.76146E-03 ppm1      4.150 ppm2      2.274 CV     1
 OR { 1901}
   (( segid "   A" and resid 112  and name HA  ))
   (( segid "   A" and resid 161  and name HG1 ))
 ASSI { 1904}
   (( segid "   A" and resid 231  and name HA  ))
   (( segid "   A" and resid 230  and name HB1 ))
      6.000     4.500     0.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.93940E-03 ppm1      3.867 ppm2      2.276 CV     1
 OR { 1904}
   (( segid "   A" and resid 205  and name HA  ))
   (( segid "   A" and resid 204  and name HG1 ))
 ASSI { 1905}
   (( segid "   A" and resid 182  and name HA  ))
   (( segid "   A" and resid 177  and name HG2 ))
      6.000     4.500     0.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.16918E-02 ppm1      4.845 ppm2      2.278 CV     1
 OR { 1905}
   (( segid "   A" and resid 182  and name HA  ))
   (( segid "   A" and resid 177  and name HG1 ))
 ASSI { 1906}
   (( segid "   A" and resid 156  and name HA  ))
   (( segid "   A" and resid 143  and name HG1 ))
      6.000     4.500     0.000 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.61412E-03 ppm1      4.767 ppm2      2.323 CV     1
 ASSI { 1907}
   (( segid "   A" and resid 275  and name HB2 ))
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.55585E-03 ppm1      2.093 ppm2      2.269 CV     1
 ASSI { 1908}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 203  and name HG2 ))
      6.000     4.500     0.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.23285E-02 ppm1      3.265 ppm2      2.288 CV     1
 OR { 1908}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 203  and name HG1 ))
 OR { 1908}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 203  and name HG2 ))
 OR { 1908}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 203  and name HG1 ))
 ASSI { 1909}
   (( segid "   A" and resid 279  and name HB2 ))
   (( segid "   A" and resid 280  and name HB2 ))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.49543E-03 ppm1      2.735 ppm2      2.281 CV     1
 OR { 1909}
   (( segid "   A" and resid 279  and name HB2 ))
   (( segid "   A" and resid 280  and name HG  ))
 ASSI { 1910}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 177  and name HG2 ))
      6.000     4.500     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.11859E-01 ppm1      1.918 ppm2      2.287 CV     1
 OR { 1910}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 177  and name HG1 ))
 ASSI { 1911}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 280  and name HG  ))
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.84502E-03 ppm1      0.631 ppm2      2.281 CV     1
 OR { 1911}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 280  and name HB2 ))
 ASSI { 1913}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 161  and name HB2 ))
      6.000     4.500     0.000 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.62396E-03 ppm1      5.115 ppm2      2.244 CV     1
 OR { 1913}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 161  and name HG1 ))
 ASSI { 1915}
   (( segid "   A" and resid 270  and name HA  ))
   (( segid "   A" and resid 280  and name HB2 ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.84211E-03 ppm1      4.956 ppm2      2.239 CV     1
 OR { 1915}
   (( segid "   A" and resid 270  and name HA  ))
   (( segid "   A" and resid 280  and name HG  ))
 ASSI { 1916}
   (( segid "   A" and resid 275  and name HB1 ))
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.70644E-03 ppm1      1.434 ppm2      2.240 CV     1
 OR { 1916}
   (( segid "   A" and resid 275  and name HB1 ))
   (( segid "   A" and resid 280  and name HG  ))
 ASSI { 1917}
   (( segid "   A" and resid 280  and name HB1 ))
   (( segid "   A" and resid 280  and name HB2 ))
      6.000     4.500     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      1.354 ppm2      2.246 CV     1
 ASSI { 1918}
   (( segid "   A" and resid 171  and name HG2 ))
   (( segid "   A" and resid 171  and name HG1 ))
      6.000     4.500     0.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.95831E-02 ppm1      2.655 ppm2      2.244 CV     1
 ASSI { 1919}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 161  and name HG1 ))
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.13675E-02 ppm1      1.414 ppm2      2.256 CV     1
 OR { 1919}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 161  and name HG2 ))
 ASSI { 1920}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 280  and name HB2 ))
      6.000     4.500     0.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.14507E-02 ppm1      0.967 ppm2      2.243 CV     1
 OR { 1920}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 280  and name HG  ))
 OR { 1920}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 278  and name HG1 ))
 ASSI { 1921}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 280  and name HG  ))
      6.000     4.500     0.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.62807E-02 ppm1      1.051 ppm2      2.251 CV     1
 ASSI { 1922}
   (( segid "   A" and resid 139  and name HG1 ))
   (( segid "   A" and resid 161  and name HB2 ))
      6.000     4.500     0.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      1.290 ppm2      2.249 CV     1
 OR { 1922}
   (( segid "   A" and resid 139  and name HG1 ))
   (( segid "   A" and resid 161  and name HG1 ))
 ASSI { 1923}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 280  and name HG  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.90156E-02 ppm1      0.869 ppm2      2.250 CV     1
 ASSI { 1924}
   (  segid "   A" and resid 148  and name HG1%)
   (( segid "   A" and resid 148  and name HB  ))
      6.000     4.500     0.000 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.23112E-01 ppm1      0.954 ppm2      2.239 CV     1
 ASSI { 1925}
   (  segid "   A" and resid 149  and name HG2%)
   (( segid "   A" and resid 148  and name HB  ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.51013E-02 ppm1      1.095 ppm2      2.243 CV     1
 ASSI { 1926}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 280  and name HG  ))
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.24182E-02 ppm1      0.343 ppm2      2.259 CV     1
 OR { 1926}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 280  and name HB2 ))
 ASSI { 1927}
   (  segid "   A" and resid 148  and name HG2%)
   (( segid "   A" and resid 148  and name HB  ))
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.22204E-01 ppm1      0.871 ppm2      2.239 CV     1
 ASSI { 1928}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 280  and name HG  ))
      6.000     4.500     0.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.26333E-02 ppm1      0.406 ppm2      2.253 CV     1
 OR { 1928}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 280  and name HB2 ))
 ASSI { 1929}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 256  and name HG1 ))
      6.000     4.500     0.000 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      0.950 ppm2      2.239 CV     1
 ASSI { 1930}
   (( segid "   A" and resid 197  and name HA  ))
   (( segid "   A" and resid 200  and name HB2 ))
      6.000     4.500     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.28495E-02 ppm1      3.873 ppm2      2.189 CV     1
 ASSI { 1933}
   (( segid "   A" and resid 143  and name HA  ))
   (( segid "   A" and resid 143  and name HG2 ))
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.18680E-02 ppm1      4.390 ppm2      2.223 CV     1
 ASSI { 1935}
   (( segid "   A" and resid 137  and name HD2 ))
   (( segid "   A" and resid 161  and name HB2 ))
      6.000     4.500     0.000 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.15567E-02 ppm1      3.186 ppm2      2.236 CV     1
 OR { 1935}
   (( segid "   A" and resid 137  and name HD2 ))
   (( segid "   A" and resid 161  and name HG2 ))
 OR { 1935}
   (( segid "   A" and resid 137  and name HD2 ))
   (( segid "   A" and resid 161  and name HG1 ))
 ASSI { 1936}
   (( segid "   A" and resid 250  and name HE1 ))
   (( segid "   A" and resid 137  and name HG2 ))
      6.000     4.500     0.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.52429E-02 ppm1      2.981 ppm2      2.214 CV     1
 ASSI { 1937}
   (( segid "   A" and resid 141  and name HB  ))
   (( segid "   A" and resid 125  and name HG1 ))
      6.000     4.500     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.16248E-02 ppm1      1.615 ppm2      2.218 CV     1
 OR { 1937}
   (( segid "   A" and resid 141  and name HB  ))
   (( segid "   A" and resid 125  and name HG2 ))
 OR { 1937}
   (( segid "   A" and resid 141  and name HB  ))
   (( segid "   A" and resid 125  and name HB1 ))
 ASSI { 1938}
   (( segid "   A" and resid 143  and name HB1 ))
   (( segid "   A" and resid 143  and name HG2 ))
      6.000     4.500     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.19372E-02 ppm1      1.632 ppm2      2.233 CV     1
 OR { 1938}
   (( segid "   A" and resid 143  and name HB2 ))
   (( segid "   A" and resid 143  and name HG2 ))
 ASSI { 1940}
   (( segid "   A" and resid 141  and name HG12))
   (( segid "   A" and resid 125  and name HG1 ))
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.64850E-03 ppm1      1.524 ppm2      2.223 CV     1
 OR { 1940}
   (( segid "   A" and resid 129  and name HG2 ))
   (( segid "   A" and resid 125  and name HG1 ))
 OR { 1940}
   (( segid "   A" and resid 129  and name HG2 ))
   (( segid "   A" and resid 125  and name HG2 ))
 OR { 1940}
   (( segid "   A" and resid 129  and name HG1 ))
   (( segid "   A" and resid 125  and name HG1 ))
 OR { 1940}
   (( segid "   A" and resid 129  and name HG1 ))
   (( segid "   A" and resid 125  and name HG2 ))
 OR { 1940}
   (( segid "   A" and resid 141  and name HG12))
   (( segid "   A" and resid 125  and name HG2 ))
 OR { 1940}
   (( segid "   A" and resid 141  and name HG12))
   (( segid "   A" and resid 125  and name HB1 ))
 ASSI { 1941}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.55585E-03 ppm1      0.689 ppm2      2.223 CV     1
 OR { 1941}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 218  and name HG1 ))
 OR { 1941}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 280  and name HG  ))
 ASSI { 1942}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 280  and name HG  ))
      6.000     4.500     0.000 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.70449E-03 ppm1      0.667 ppm2      2.224 CV     1
 ASSI { 1943}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 125  and name HG1 ))
      6.000     4.500     0.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.56277E-03 ppm1      0.131 ppm2      2.217 CV     1
 OR { 1943}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 125  and name HG2 ))
 OR { 1943}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 125  and name HB1 ))
 OR { 1943}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 143  and name HG2 ))
 OR { 1943}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 161  and name HB2 ))
 ASSI { 1944}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 125  and name HG1 ))
      6.000     4.500     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.63477E-03 ppm1      0.026 ppm2      2.213 CV     1
 OR { 1944}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 125  and name HG2 ))
 OR { 1944}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 125  and name HB1 ))
 OR { 1944}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 143  and name HG2 ))
 ASSI { 1945}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 125  and name HG1 ))
      6.000     4.500     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.80038E-02 ppm1      0.593 ppm2      2.219 CV     1
 OR { 1945}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 143  and name HG2 ))
 OR { 1945}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 125  and name HB1 ))
 ASSI { 1946}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 143  and name HG2 ))
      6.000     4.500     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.42851E-02 ppm1      1.268 ppm2      2.222 CV     1
 ASSI { 1947}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 280  and name HB2 ))
      6.000     4.500     0.000 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.15058E-02 ppm1      0.184 ppm2      2.234 CV     1
 OR { 1947}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 280  and name HG  ))
 ASSI { 1949}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 218  and name HG1 ))
      6.000     4.500     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.19620E-02 ppm1      3.884 ppm2      2.202 CV     1
 ASSI { 1950}
   (( segid "   A" and resid 200  and name HA  ))
   (( segid "   A" and resid 200  and name HB2 ))
      6.000     4.500     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.10565E-01 ppm1      4.117 ppm2      2.184 CV     1
 ASSI { 1952}
   (( segid "   A" and resid 150  and name HA  ))
   (( segid "   A" and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.31284E-02 ppm1      3.888 ppm2      2.205 CV     1
 ASSI { 1953}
   (( segid "   A" and resid 219  and name HA  ))
   (( segid "   A" and resid 218  and name HG1 ))
      6.000     4.500     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.92826E-03 ppm1      4.747 ppm2      2.209 CV     1
 ASSI { 1954}
   (( segid "   A" and resid 210  and name HA  ))
   (( segid "   A" and resid 256  and name HG1 ))
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.56904E-03 ppm1      5.726 ppm2      2.202 CV     1
 ASSI { 1955}
   (( segid "   A" and resid 129  and name HD2 ))
   (( segid "   A" and resid 125  and name HG2 ))
      6.000     4.500     0.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.48429E-03 ppm1      3.343 ppm2      2.209 CV     1
 OR { 1955}
   (( segid "   A" and resid 129  and name HD2 ))
   (( segid "   A" and resid 125  and name HG1 ))
 ASSI { 1956}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 258  and name HG1 ))
      6.000     4.500     0.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      3.043 ppm2      2.189 CV     1
 OR { 1956}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 258  and name HG1 ))
 OR { 1956}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 258  and name HB1 ))
 ASSI { 1957}
   (( segid "   A" and resid 250  and name HE2 ))
   (( segid "   A" and resid 137  and name HG2 ))
      6.000     4.500     0.000 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.59510E-02 ppm1      2.961 ppm2      2.196 CV     1
 ASSI { 1959}
   (( segid "   A" and resid 199  and name HB2 ))
   (( segid "   A" and resid 200  and name HB2 ))
      6.000     4.500     0.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      2.699 ppm2      2.196 CV     1
 OR { 1959}
   (( segid "   A" and resid 199  and name HB2 ))
   (( segid "   A" and resid 203  and name HB1 ))
 OR { 1959}
   (( segid "   A" and resid 199  and name HB2 ))
   (( segid "   A" and resid 203  and name HB2 ))
 ASSI { 1960}
   (( segid "   A" and resid 199  and name HB1 ))
   (( segid "   A" and resid 203  and name HB1 ))
      6.000     4.500     0.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.96296E-03 ppm1      2.643 ppm2      2.201 CV     1
 OR { 1960}
   (( segid "   A" and resid 199  and name HB1 ))
   (( segid "   A" and resid 200  and name HB2 ))
 OR { 1960}
   (( segid "   A" and resid 199  and name HB1 ))
   (( segid "   A" and resid 203  and name HB2 ))
 ASSI { 1961}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 256  and name HB1 ))
      6.000     4.500     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.24409E-02 ppm1      1.688 ppm2      2.187 CV     1
 OR { 1961}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 258  and name HB1 ))
 ASSI { 1962}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 258  and name HB1 ))
      6.000     4.500     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.21458E-02 ppm1      1.497 ppm2      2.194 CV     1
 OR { 1962}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 256  and name HB1 ))
 OR { 1962}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 258  and name HG1 ))
 ASSI { 1963}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 258  and name HB1 ))
      6.000     4.500     0.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.25469E-01 ppm1      1.948 ppm2      2.184 CV     1
 ASSI { 1964}
   (( segid "   A" and resid 259  and name HD2 ))
   (( segid "   A" and resid 258  and name HG1 ))
      6.000     4.500     0.000 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.76816E-02 ppm1      1.746 ppm2      2.193 CV     1
 OR { 1964}
   (( segid "   A" and resid 259  and name HD1 ))
   (( segid "   A" and resid 258  and name HG1 ))
 OR { 1964}
   (( segid "   A" and resid 172  and name HB2 ))
   (( segid "   A" and resid 171  and name HB1 ))
 OR { 1964}
   (( segid "   A" and resid 259  and name HD2 ))
   (( segid "   A" and resid 258  and name HB1 ))
 OR { 1964}
   (( segid "   A" and resid 259  and name HD1 ))
   (( segid "   A" and resid 258  and name HB1 ))
 ASSI { 1965}
   (( segid "   A" and resid 151  and name HD2 ))
   (( segid "   A" and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.74384E-03 ppm1      1.316 ppm2      2.203 CV     1
 OR { 1965}
   (( segid "   A" and resid 197  and name HG11))
   (( segid "   A" and resid 200  and name HB2 ))
 ASSI { 1966}
   (( segid "   A" and resid 259  and name HG1 ))
   (( segid "   A" and resid 258  and name HG1 ))
      6.000     4.500     0.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.18064E-02 ppm1      1.576 ppm2      2.184 CV     1
 OR { 1966}
   (( segid "   A" and resid 259  and name HG1 ))
   (( segid "   A" and resid 258  and name HB1 ))
 ASSI { 1967}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 258  and name HG1 ))
      6.000     4.500     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.36571E-02 ppm1      1.479 ppm2      2.193 CV     1
 OR { 1967}
   (( segid "   A" and resid 234  and name HG2 ))
   (( segid "   A" and resid 258  and name HG1 ))
 OR { 1967}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 258  and name HB1 ))
 ASSI { 1968}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 258  and name HB1 ))
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.43748E-02 ppm1      1.345 ppm2      2.184 CV     1
 OR { 1968}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 258  and name HB1 ))
 OR { 1968}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 256  and name HG2 ))
 OR { 1968}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 256  and name HG2 ))
 OR { 1968}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 256  and name HB1 ))
 OR { 1968}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 258  and name HG1 ))
 ASSI { 1969}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 162  and name HB  ))
      6.000     4.500     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.18031E-01 ppm1      1.058 ppm2      2.205 CV     1
 ASSI { 1970}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 162  and name HB  ))
      6.000     4.500     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.14075E-01 ppm1      0.778 ppm2      2.204 CV     1
 ASSI { 1971}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 162  and name HB  ))
      6.000     4.500     0.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.12853E-02 ppm1      0.648 ppm2      2.206 CV     1
 OR { 1971}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 137  and name HG2 ))
 ASSI { 1972}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 125  and name HG1 ))
      6.000     4.500     0.000 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.25155E-02 ppm1      0.536 ppm2      2.205 CV     1
 OR { 1972}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 125  and name HG1 ))
 OR { 1972}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 125  and name HB1 ))
 OR { 1972}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 125  and name HG2 ))
 OR { 1972}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 125  and name HG2 ))
 OR { 1972}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 125  and name HB1 ))
 ASSI { 1973}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 125  and name HG1 ))
      6.000     4.500     0.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.82265E-02 ppm1      0.735 ppm2      2.205 CV     1
 OR { 1973}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 125  and name HG2 ))
 ASSI { 1974}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.16507E-02 ppm1      0.483 ppm2      2.206 CV     1
 OR { 1974}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 125  and name HG1 ))
 OR { 1974}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 125  and name HG2 ))
 ASSI { 1975}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.69660E-03 ppm1      4.170 ppm2      2.164 CV     1
 OR { 1975}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 125  and name HB2 ))
 OR { 1975}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 130  and name HB1 ))
 ASSI { 1976}
   (( segid "   A" and resid 127  and name HA  ))
   (( segid "   A" and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.32538E-02 ppm1      3.989 ppm2      2.164 CV     1
 ASSI { 1977}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 258  and name HG1 ))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.64461E-03 ppm1      4.846 ppm2      2.178 CV     1
 OR { 1977}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 256  and name HG2 ))
 OR { 1977}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 256  and name HB1 ))
 ASSI { 1978}
   (( segid "   A" and resid 130  and name HA  ))
   (( segid "   A" and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.17275E-01 ppm1      4.038 ppm2      2.167 CV     1
 OR { 1978}
   (( segid "   A" and resid 204  and name HA  ))
   (( segid "   A" and resid 204  and name HB2 ))
 OR { 1978}
   (( segid "   A" and resid 203  and name HA  ))
   (( segid "   A" and resid 203  and name HB1 ))
 OR { 1978}
   (( segid "   A" and resid 203  and name HA  ))
   (( segid "   A" and resid 203  and name HB2 ))
 ASSI { 1979}
   (( segid "   A" and resid 210  and name HA  ))
   (( segid "   A" and resid 256  and name HB1 ))
      6.000     4.500     0.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.53845E-03 ppm1      5.714 ppm2      2.167 CV     1
 OR { 1979}
   (( segid "   A" and resid 210  and name HA  ))
   (( segid "   A" and resid 256  and name HG2 ))
 ASSI { 1981}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 203  and name HB1 ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.25977E-02 ppm1      3.265 ppm2      2.161 CV     1
 OR { 1981}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 203  and name HB1 ))
 OR { 1981}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 203  and name HB2 ))
 OR { 1981}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 203  and name HB2 ))
 ASSI { 1982}
   (( segid "   A" and resid 130  and name HG2 ))
   (( segid "   A" and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.15902E-01 ppm1      2.541 ppm2      2.176 CV     1
 OR { 1982}
   (( segid "   A" and resid 200  and name HG1 ))
   (( segid "   A" and resid 200  and name HB2 ))
 ASSI { 1983}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 167  and name HG1 ))
      6.000     4.500     0.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.38181E-02 ppm1      0.888 ppm2      2.156 CV     1
 OR { 1983}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 171  and name HB1 ))
 ASSI { 1984}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.28733E-02 ppm1      1.317 ppm2      2.166 CV     1
 OR { 1984}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 130  and name HB1 ))
 ASSI { 1985}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 167  and name HG1 ))
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.41467E-02 ppm1      0.782 ppm2      2.157 CV     1
 ASSI { 1986}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 201  and name HB2 ))
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.33014E-02 ppm1      1.146 ppm2      2.160 CV     1
 OR { 1986}
   (  segid "   A" and resid 207  and name HB% )
   (( segid "   A" and resid 204  and name HB2 ))
 OR { 1986}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 204  and name HB2 ))
 OR { 1986}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 203  and name HB2 ))
 ASSI { 1987}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 122  and name HB2 ))
      6.000     4.500     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.71822E-03 ppm1      0.690 ppm2      2.178 CV     1
 OR { 1987}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 125  and name HB2 ))
 OR { 1987}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 125  and name HB1 ))
 ASSI { 1988}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 203  and name HB1 ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.25977E-02 ppm1      1.558 ppm2      2.167 CV     1
 OR { 1988}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 203  and name HB2 ))
 ASSI { 1990}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      1.608 ppm2      2.162 CV     1
 OR { 1990}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 130  and name HB2 ))
 ASSI { 1992}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 163  and name HB2 ))
      6.000     4.500     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.10810E-02 ppm1      4.197 ppm2      2.128 CV     1
 ASSI { 1993}
   (( segid "   A" and resid 164  and name HA  ))
   (( segid "   A" and resid 163  and name HB2 ))
      6.000     4.500     0.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.62688E-03 ppm1      3.310 ppm2      2.156 CV     1
 OR { 1993}
   (( segid "   A" and resid 164  and name HA  ))
   (( segid "   A" and resid 167  and name HG1 ))
 ASSI { 1994}
   (( segid "   A" and resid 167  and name HA  ))
   (( segid "   A" and resid 167  and name HG1 ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.18788E-02 ppm1      3.698 ppm2      2.152 CV     1
 ASSI { 1995}
   (( segid "   A" and resid 122  and name HA  ))
   (( segid "   A" and resid 122  and name HB2 ))
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.37295E-02 ppm1      4.134 ppm2      2.149 CV     1
 ASSI { 1996}
   (( segid "   A" and resid 288  and name HD2 ))
   (( segid "   A" and resid 201  and name HB2 ))
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.81551E-03 ppm1      3.932 ppm2      2.145 CV     1
 ASSI { 1997}
   (( segid "   A" and resid 108  and name HB1 ))
   (( segid "   A" and resid 163  and name HB2 ))
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.92264E-03 ppm1      1.788 ppm2      2.141 CV     1
 ASSI { 1998}
   (( segid "   A" and resid 122  and name HG1 ))
   (( segid "   A" and resid 122  and name HB2 ))
      6.000     4.500     0.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.28539E-02 ppm1      1.819 ppm2      2.149 CV     1
 ASSI { 1999}
   (( segid "   A" and resid 122  and name HG2 ))
   (( segid "   A" and resid 122  and name HB2 ))
      6.000     4.500     0.000 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.15858E-02 ppm1      1.733 ppm2      2.149 CV     1
 ASSI { 2000}
   (( segid "   A" and resid 278  and name HB1 ))
   (( segid "   A" and resid 278  and name HB2 ))
      6.000     4.500     0.000 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.11707E-01 ppm1      1.939 ppm2      2.131 CV     1
 ASSI { 2001}
   (( segid "   A" and resid 122  and name HB1 ))
   (( segid "   A" and resid 122  and name HB2 ))
      6.000     4.500     0.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.30495E-02 ppm1      1.549 ppm2      2.151 CV     1
 ASSI { 2003}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 201  and name HB2 ))
      6.000     4.500     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.39133E-02 ppm1      0.790 ppm2      2.130 CV     1
 ASSI { 2004}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 173  and name HB2 ))
      6.000     4.500     0.000 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.13956E-02 ppm1      1.345 ppm2      2.140 CV     1
 ASSI { 2005}
   (( segid "   A" and resid 163  and name HA  ))
   (( segid "   A" and resid 163  and name HB2 ))
      6.000     4.500     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.18701E-02 ppm1      4.135 ppm2      2.123 CV     1
 ASSI { 2008}
   (( segid "   A" and resid 278  and name HA  ))
   (( segid "   A" and resid 278  and name HB2 ))
      6.000     4.500     0.000 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.48354E-02 ppm1      4.328 ppm2      2.127 CV     1
 ASSI { 2009}
   (( segid "   A" and resid 288  and name HD2 ))
   (( segid "   A" and resid 201  and name HB2 ))
      6.000     4.500     0.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.79389E-03 ppm1      3.919 ppm2      2.124 CV     1
 ASSI { 2010}
   (( segid "   A" and resid 201  and name HB1 ))
   (( segid "   A" and resid 201  and name HB2 ))
      6.000     4.500     0.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.11145E-02 ppm1      1.459 ppm2      2.126 CV     1
 ASSI { 2011}
   (( segid "   A" and resid 163  and name HB1 ))
   (( segid "   A" and resid 163  and name HB2 ))
      6.000     4.500     0.000 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.41684E-02 ppm1      1.697 ppm2      2.112 CV     1
 ASSI { 2012}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 275  and name HB2 ))
      6.000     4.500     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.32074E-02 ppm1      0.868 ppm2      2.119 CV     1
 OR { 2012}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 278  and name HB2 ))
 ASSI { 2013}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 163  and name HB2 ))
      6.000     4.500     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.42916E-02 ppm1      0.551 ppm2      2.127 CV     1
 ASSI { 2018}
   (( segid "   A" and resid 275  and name HB1 ))
   (( segid "   A" and resid 275  and name HB2 ))
      6.000     4.500     0.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.15804E-02 ppm1      1.450 ppm2      2.098 CV     1
 ASSI { 2019}
   (( segid "   A" and resid 230  and name HB1 ))
   (( segid "   A" and resid 230  and name HB2 ))
      6.000     4.500     0.000 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.13361E-01 ppm1      2.285 ppm2      2.089 CV     1
 ASSI { 2020}
   (( segid "   A" and resid 275  and name HG  ))
   (( segid "   A" and resid 275  and name HB2 ))
      6.000     4.500     0.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.22842E-02 ppm1      1.587 ppm2      2.092 CV     1
 ASSI { 2021}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 275  and name HB2 ))
      6.000     4.500     0.000 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.44192E-02 ppm1      0.968 ppm2      2.091 CV     1
 ASSI { 2022}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 275  and name HB2 ))
      6.000     4.500     0.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.51099E-02 ppm1      1.043 ppm2      2.089 CV     1
 ASSI { 2023}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 114  and name HB  ))
      6.000     4.500     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.12118E-01 ppm1      0.921 ppm2      2.094 CV     1
 ASSI { 2024}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 228  and name HB  ))
      6.000     4.500     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.17318E-01 ppm1      0.985 ppm2      2.081 CV     1
 OR { 2024}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 270  and name HB2 ))
 ASSI { 2025}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 228  and name HB  ))
      6.000     4.500     0.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.51013E-02 ppm1      0.473 ppm2      2.075 CV     1
 ASSI { 2026}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 114  and name HB  ))
      6.000     4.500     0.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.12042E-02 ppm1      0.288 ppm2      2.076 CV     1
 ASSI { 2027}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 114  and name HB  ))
      6.000     4.500     0.000 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.13577E-02 ppm1      0.031 ppm2      2.080 CV     1
 ASSI { 2029}
   (( segid "   A" and resid 245  and name HB  ))
   (( segid "   A" and resid 244  and name HG2 ))
      6.000     4.500     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.55304E-03 ppm1      4.274 ppm2      2.061 CV     1
 ASSI { 2031}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.91021E-03 ppm1      3.744 ppm2      2.046 CV     1
 OR { 2031}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 159  and name HG1 ))
 ASSI { 2032}
   (( segid "   A" and resid 245  and name HA  ))
   (( segid "   A" and resid 244  and name HG2 ))
      6.000     4.500     0.000 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      4.206 ppm2      2.056 CV     1
 ASSI { 2035}
   (( segid "   A" and resid 225  and name HA  ))
   (( segid "   A" and resid 228  and name HB  ))
      6.000     4.500     0.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.11015E-02 ppm1      3.829 ppm2      2.050 CV     1
 OR { 2035}
   (( segid "   A" and resid 225  and name HA  ))
   (( segid "   A" and resid 270  and name HB2 ))
 ASSI { 2036}
   (( segid "   A" and resid 227  and name HA  ))
   (( segid "   A" and resid 230  and name HB2 ))
      6.000     4.500     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      4.213 ppm2      2.069 CV     1
 ASSI { 2038}
   (( segid "   A" and resid 244  and name HD2 ))
   (( segid "   A" and resid 244  and name HG1 ))
      6.000     4.500     0.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.37857E-02 ppm1      4.075 ppm2      2.061 CV     1
 ASSI { 2039}
   (( segid "   A" and resid 244  and name HD1 ))
   (( segid "   A" and resid 244  and name HG2 ))
      6.000     4.500     0.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.44581E-02 ppm1      3.991 ppm2      2.062 CV     1
 OR { 2039}
   (( segid "   A" and resid 244  and name HD1 ))
   (( segid "   A" and resid 244  and name HG1 ))
 ASSI { 2041}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 230  and name HB2 ))
      6.000     4.500     0.000 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.38960E-02 ppm1      2.557 ppm2      2.070 CV     1
 OR { 2041}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 230  and name HB2 ))
 ASSI { 2043}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 267  and name HB  ))
      6.000     4.500     0.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.16831E-01 ppm1      0.990 ppm2      2.055 CV     1
 ASSI { 2044}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 267  and name HB  ))
      6.000     4.500     0.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.14626E-01 ppm1      0.974 ppm2      2.073 CV     1
 ASSI { 2045}
   (  segid "   A" and resid 245  and name HG2%)
   (( segid "   A" and resid 244  and name HG2 ))
      6.000     4.500     0.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.50310E-02 ppm1      1.234 ppm2      2.057 CV     1
 ASSI { 2046}
   (  segid "   A" and resid 176  and name HG1%)
   (( segid "   A" and resid 176  and name HB  ))
      6.000     4.500     0.000 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.16561E-01 ppm1      1.017 ppm2      2.065 CV     1
 ASSI { 2048}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 176  and name HB  ))
      6.000     4.500     0.000 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.18096E-01 ppm1      0.889 ppm2      2.068 CV     1
 ASSI { 2049}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 114  and name HB  ))
      6.000     4.500     0.000 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.16507E-02 ppm1      0.130 ppm2      2.068 CV     1
 ASSI { 2050}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 230  and name HB2 ))
      6.000     4.500     0.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.29555E-02 ppm1      0.677 ppm2      2.059 CV     1
 ASSI { 2051}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 228  and name HB  ))
      6.000     4.500     0.000 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.19761E-02 ppm1      0.633 ppm2      2.048 CV     1
 OR { 2051}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 270  and name HB2 ))
 OR { 2051}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 134  and name HB2 ))
 ASSI { 2052}
   (( segid "   A" and resid 134  and name HA  ))
   (( segid "   A" and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.20680E-02 ppm1      4.024 ppm2      2.034 CV     1
 ASSI { 2053}
   (( segid "   A" and resid 244  and name HA  ))
   (( segid "   A" and resid 244  and name HG1 ))
      6.000     4.500     0.000 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.69595E-02 ppm1      4.383 ppm2      2.040 CV     1
 OR { 2053}
   (( segid "   A" and resid 244  and name HA  ))
   (( segid "   A" and resid 244  and name HG2 ))
 ASSI { 2054}
   (( segid "   A" and resid 171  and name HA  ))
   (( segid "   A" and resid 171  and name HB2 ))
      6.000     4.500     0.000 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.72925E-02 ppm1      4.047 ppm2      2.035 CV     1
 ASSI { 2055}
   (( segid "   A" and resid 113  and name HA  ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.91161E-03 ppm1      5.368 ppm2      2.022 CV     1
 ASSI { 2056}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.22063E-02 ppm1      5.018 ppm2      2.035 CV     1
 OR { 2056}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 159  and name HG2 ))
 ASSI { 2057}
   (( segid "   A" and resid 196  and name HD1 ))
   (( segid "   A" and resid 196  and name HG1 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.27036E-02 ppm1      3.502 ppm2      2.036 CV     1
 ASSI { 2058}
   (( segid "   A" and resid 113  and name HD2 ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.12205E-02 ppm1      3.074 ppm2      2.024 CV     1
 OR { 2058}
   (( segid "   A" and resid 113  and name HD2 ))
   (( segid "   A" and resid 159  and name HG2 ))
 ASSI { 2059}
   (( segid "   A" and resid 250  and name HE2 ))
   (( segid "   A" and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.29479E-02 ppm1      2.933 ppm2      2.027 CV     1
 ASSI { 2060}
   (( segid "   A" and resid 272  and name HB1 ))
   (( segid "   A" and resid 272  and name HB2 ))
      6.000     4.500     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.32701E-02 ppm1      1.556 ppm2      2.033 CV     1
 ASSI { 2061}
   (( segid "   A" and resid 172  and name HG2 ))
   (( segid "   A" and resid 171  and name HB2 ))
      6.000     4.500     0.000 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.58018E-03 ppm1      2.771 ppm2      2.039 CV     1
 ASSI { 2062}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 159  and name HG1 ))
      6.000     4.500     0.000 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.11491E-02 ppm1      1.412 ppm2      2.030 CV     1
 OR { 2062}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 159  and name HB2 ))
 ASSI { 2063}
   (( segid "   A" and resid 244  and name HB1 ))
   (( segid "   A" and resid 244  and name HB2 ))
      6.000     4.500     0.000 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.18604E-01 ppm1      2.344 ppm2      2.040 CV     1
 OR { 2063}
   (( segid "   A" and resid 244  and name HB1 ))
   (( segid "   A" and resid 244  and name HG2 ))
 ASSI { 2064}
   (( segid "   A" and resid 134  and name HB1 ))
   (( segid "   A" and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.93107E-03 ppm1      0.286 ppm2      2.033 CV     1
 ASSI { 2065}
   (( segid "   A" and resid 112  and name HB1 ))
   (( segid "   A" and resid 159  and name HG2 ))
      6.000     4.500     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.68385E-03 ppm1      3.546 ppm2      2.023 CV     1
 OR { 2065}
   (( segid "   A" and resid 112  and name HB1 ))
   (( segid "   A" and resid 159  and name HG1 ))
 ASSI { 2066}
   (( segid "   A" and resid 272  and name HG  ))
   (( segid "   A" and resid 272  and name HB2 ))
      6.000     4.500     0.000 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.34192E-02 ppm1      1.507 ppm2      2.032 CV     1
 ASSI { 2068}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 272  and name HB2 ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.19231E-01 ppm1      0.801 ppm2      2.033 CV     1
 ASSI { 2069}
   (( segid "   A" and resid 139  and name HG1 ))
   (( segid "   A" and resid 159  and name HG1 ))
      6.000     4.500     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.11275E-02 ppm1      1.295 ppm2      2.030 CV     1
 OR { 2069}
   (( segid "   A" and resid 139  and name HG1 ))
   (( segid "   A" and resid 159  and name HB2 ))
 OR { 2069}
   (( segid "   A" and resid 139  and name HG1 ))
   (( segid "   A" and resid 159  and name HG2 ))
 ASSI { 2070}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 272  and name HB2 ))
      6.000     4.500     0.000 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.89940E-02 ppm1      0.701 ppm2      2.031 CV     1
 ASSI { 2071}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 163  and name HG1 ))
      6.000     4.500     0.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.11102E-02 ppm1      4.193 ppm2      1.995 CV     1
 ASSI { 2073}
   (( segid "   A" and resid 197  and name HA  ))
   (( segid "   A" and resid 197  and name HB  ))
      6.000     4.500     0.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.17015E-02 ppm1      3.871 ppm2      2.001 CV     1
 ASSI { 2075}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 220  and name HB1 ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.30030E-02 ppm1      3.865 ppm2      1.993 CV     1
 OR { 2075}
   (( segid "   A" and resid 119  and name HA  ))
   (( segid "   A" and resid 183  and name HB  ))
 ASSI { 2077}
   (( segid "   A" and resid 194  and name HA  ))
   (( segid "   A" and resid 197  and name HB  ))
      6.000     4.500     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.15642E-02 ppm1      4.493 ppm2      1.999 CV     1
 ASSI { 2078}
   (( segid "   A" and resid 137  and name HD2 ))
   (( segid "   A" and resid 161  and name HB1 ))
      6.000     4.500     0.000 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.62980E-03 ppm1      3.183 ppm2      1.999 CV     1
 ASSI { 2079}
   (( segid "   A" and resid 113  and name HD1 ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.86708E-03 ppm1      2.907 ppm2      2.015 CV     1
 OR { 2079}
   (( segid "   A" and resid 113  and name HD1 ))
   (( segid "   A" and resid 159  and name HG2 ))
 ASSI { 2080}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 259  and name HB1 ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.34463E-02 ppm1      3.044 ppm2      1.992 CV     1
 OR { 2080}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 259  and name HB1 ))
 ASSI { 2081}
   (( segid "   A" and resid 139  and name HB2 ))
   (( segid "   A" and resid 159  and name HG1 ))
      6.000     4.500     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.14194E-02 ppm1      1.526 ppm2      2.015 CV     1
 OR { 2081}
   (( segid "   A" and resid 139  and name HB2 ))
   (( segid "   A" and resid 159  and name HB2 ))
 OR { 2081}
   (( segid "   A" and resid 139  and name HB2 ))
   (( segid "   A" and resid 159  and name HG2 ))
 ASSI { 2082}
   (( segid "   A" and resid 159  and name HB1 ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.55575E-02 ppm1      1.691 ppm2      2.007 CV     1
 OR { 2082}
   (( segid "   A" and resid 163  and name HB1 ))
   (( segid "   A" and resid 163  and name HG1 ))
 ASSI { 2083}
   (( segid "   A" and resid 196  and name HB1 ))
   (( segid "   A" and resid 196  and name HG2 ))
      6.000     4.500     0.000 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.37965E-02 ppm1      1.754 ppm2      2.004 CV     1
 ASSI { 2085}
   (( segid "   A" and resid 197  and name HG11))
   (( segid "   A" and resid 197  and name HB  ))
      6.000     4.500     0.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.25739E-02 ppm1      1.316 ppm2      1.992 CV     1
 ASSI { 2086}
   (( segid "   A" and resid 128  and name HG11))
   (( segid "   A" and resid 128  and name HB  ))
      6.000     4.500     0.000 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      1.209 ppm2      1.995 CV     1
 OR { 2086}
   (( segid "   A" and resid 128  and name HG12))
   (( segid "   A" and resid 128  and name HB  ))
 ASSI { 2088}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 259  and name HB1 ))
      6.000     4.500     0.000 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.49445E-02 ppm1      1.481 ppm2      1.993 CV     1
 ASSI { 2089}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 220  and name HB1 ))
      6.000     4.500     0.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.65444E-03 ppm1      0.085 ppm2      2.000 CV     1
 OR { 2089}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 226  and name HB1 ))
 OR { 2089}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 226  and name HB2 ))
 ASSI { 2090}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 183  and name HB  ))
      6.000     4.500     0.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.12399E-01 ppm1      0.950 ppm2      2.007 CV     1
 ASSI { 2091}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 211  and name HB  ))
      6.000     4.500     0.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.35079E-02 ppm1      0.737 ppm2      1.992 CV     1
 ASSI { 2092}
   (  segid "   A" and resid 183  and name HD1%)
   (( segid "   A" and resid 183  and name HB  ))
      6.000     4.500     0.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.73595E-02 ppm1      0.861 ppm2      2.011 CV     1
 ASSI { 2093}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 128  and name HB  ))
      6.000     4.500     0.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.77335E-03 ppm1      0.243 ppm2      2.015 CV     1
 OR { 2093}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 183  and name HB  ))
 ASSI { 2094}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 197  and name HB  ))
      6.000     4.500     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.10298E-01 ppm1      0.786 ppm2      1.997 CV     1
 ASSI { 2095}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 128  and name HB  ))
      6.000     4.500     0.000 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.39024E-02 ppm1      0.485 ppm2      1.996 CV     1
 ASSI { 2097}
   (( segid "   A" and resid 163  and name HA  ))
   (( segid "   A" and resid 163  and name HG1 ))
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.12442E-02 ppm1      4.134 ppm2      1.976 CV     1
 OR { 2097}
   (( segid "   A" and resid 163  and name HA  ))
   (  segid "   A" and resid 111  and name HE% )
 ASSI { 2099}
   (( segid "   A" and resid 286  and name HA  ))
   (( segid "   A" and resid 284  and name HB2 ))
      6.000     4.500     0.000 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.11978E-02 ppm1      4.505 ppm2      1.967 CV     1
 OR { 2099}
   (( segid "   A" and resid 286  and name HA  ))
   (  segid "   A" and resid 111  and name HE% )
 OR { 2099}
   (( segid "   A" and resid 286  and name HA  ))
   (( segid "   A" and resid 167  and name HB1 ))
 ASSI { 2100}
   (( segid "   A" and resid 125  and name HA  ))
   (( segid "   A" and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.46137E-02 ppm1      3.707 ppm2      1.966 CV     1
 ASSI { 2103}
   (( segid "   A" and resid 162  and name HA  ))
   (( segid "   A" and resid 163  and name HG1 ))
      6.000     4.500     0.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.12572E-02 ppm1      4.857 ppm2      1.978 CV     1
 OR { 2103}
   (( segid "   A" and resid 162  and name HA  ))
   (( segid "   A" and resid 161  and name HB1 ))
 ASSI { 2104}
   (( segid "   A" and resid 284  and name HA  ))
   (( segid "   A" and resid 284  and name HB2 ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.45694E-02 ppm1      4.398 ppm2      1.980 CV     1
 ASSI { 2105}
   (( segid "   A" and resid 207  and name HA  ))
   (( segid "   A" and resid 206  and name HB1 ))
      6.000     4.500     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.99215E-03 ppm1      4.109 ppm2      1.985 CV     1
 OR { 2105}
   (( segid "   A" and resid 207  and name HA  ))
   (( segid "   A" and resid 206  and name HB2 ))
 ASSI { 2106}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 206  and name HB1 ))
      6.000     4.500     0.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.29263E-01 ppm1      3.265 ppm2      1.988 CV     1
 OR { 2106}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 206  and name HB2 ))
 OR { 2106}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 206  and name HB2 ))
 OR { 2106}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 206  and name HB1 ))
 ASSI { 2107}
   (( segid "   A" and resid 220  and name HB2 ))
   (( segid "   A" and resid 220  and name HB1 ))
      6.000     4.500     0.000 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.85194E-03 ppm1      1.281 ppm2      1.986 CV     1
 ASSI { 2108}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 226  and name HB2 ))
      6.000     4.500     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.35846E-02 ppm1      2.840 ppm2      1.970 CV     1
 OR { 2108}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 226  and name HB1 ))
 OR { 2108}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 226  and name HB1 ))
 ASSI { 2109}
   (( segid "   A" and resid 226  and name HD2 ))
   (( segid "   A" and resid 226  and name HB1 ))
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.56515E-02 ppm1      1.639 ppm2      1.980 CV     1
 OR { 2109}
   (( segid "   A" and resid 226  and name HD1 ))
   (( segid "   A" and resid 226  and name HB2 ))
 OR { 2109}
   (( segid "   A" and resid 226  and name HD1 ))
   (( segid "   A" and resid 226  and name HB1 ))
 ASSI { 2110}
   (( segid "   A" and resid 197  and name HG12))
   (( segid "   A" and resid 197  and name HB  ))
      6.000     4.500     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.42916E-02 ppm1      1.468 ppm2      1.983 CV     1
 ASSI { 2111}
   (( segid "   A" and resid 206  and name HG2 ))
   (( segid "   A" and resid 206  and name HG1 ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.24301E-01 ppm1      1.747 ppm2      1.988 CV     1
 ASSI { 2112}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 220  and name HB1 ))
      6.000     4.500     0.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.27004E-02 ppm1      0.903 ppm2      1.982 CV     1
 ASSI { 2113}
   (( segid "   A" and resid 284  and name HG2 ))
   (( segid "   A" and resid 284  and name HB2 ))
      6.000     4.500     0.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.63358E-02 ppm1      1.543 ppm2      1.983 CV     1
 OR { 2113}
   (( segid "   A" and resid 284  and name HG1 ))
   (( segid "   A" and resid 284  and name HB2 ))
 ASSI { 2114}
   (( segid "   A" and resid 226  and name HG1 ))
   (( segid "   A" and resid 226  and name HB1 ))
      6.000     4.500     0.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.92967E-03 ppm1      1.189 ppm2      1.965 CV     1
 OR { 2114}
   (( segid "   A" and resid 226  and name HG1 ))
   (( segid "   A" and resid 226  and name HB2 ))
 ASSI { 2115}
   (  segid "   A" and resid 108  and name HD2%)
   (( segid "   A" and resid 163  and name HG1 ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.11772E-01 ppm1      0.869 ppm2      1.971 CV     1
 OR { 2115}
   (  segid "   A" and resid 108  and name HD2%)
   (  segid "   A" and resid 111  and name HE% )
 ASSI { 2116}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 220  and name HB1 ))
      6.000     4.500     0.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.29912E-02 ppm1      0.693 ppm2      1.985 CV     1
 ASSI { 2117}
   (  segid "   A" and resid 287  and name HG2%)
   (  segid "   A" and resid 111  and name HE% )
      6.000     4.500     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.11794E-01 ppm1      1.079 ppm2      1.969 CV     1
 ASSI { 2118}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 167  and name HB1 ))
      6.000     4.500     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.66341E-02 ppm1      0.782 ppm2      1.968 CV     1
 OR { 2118}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 167  and name HB2 ))
 ASSI { 2119}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 270  and name HG2 ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.21793E-02 ppm1      0.341 ppm2      1.965 CV     1
 OR { 2119}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 270  and name HB1 ))
 OR { 2119}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 211  and name HB  ))
 ASSI { 2120}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 161  and name HB1 ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.42019E-02 ppm1      0.777 ppm2      1.979 CV     1
 OR { 2120}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 163  and name HG1 ))
 ASSI { 2121}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 270  and name HG2 ))
      6.000     4.500     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.21534E-02 ppm1      1.249 ppm2      1.964 CV     1
 OR { 2121}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 270  and name HB1 ))
 ASSI { 2122}
   (  segid "   A" and resid 286  and name HG2%)
   (  segid "   A" and resid 111  and name HE% )
      6.000     4.500     0.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.12983E-01 ppm1      0.551 ppm2      1.965 CV     1
 ASSI { 2123}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 206  and name HB2 ))
      6.000     4.500     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.61790E-02 ppm1      1.145 ppm2      1.984 CV     1
 OR { 2123}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 206  and name HB1 ))
 ASSI { 2124}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 197  and name HB  ))
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.13945E-01 ppm1      0.875 ppm2      1.987 CV     1
 ASSI { 2125}
   (  segid "   A" and resid 202  and name HB% )
   (  segid "   A" and resid 111  and name HE% )
      6.000     4.500     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.28690E-02 ppm1      1.559 ppm2      1.971 CV     1
 ASSI { 2126}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 128  and name HB  ))
      6.000     4.500     0.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.87605E-02 ppm1      0.535 ppm2      1.991 CV     1
 ASSI { 2128}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 198  and name HB  ))
      6.000     4.500     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.12983E-01 ppm1      0.922 ppm2      1.980 CV     1
 ASSI { 2130}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 220  and name HB1 ))
      6.000     4.500     0.000 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      0.634 ppm2      1.983 CV     1
 ASSI { 2131}
   (( segid "   A" and resid 287  and name HA  ))
   (  segid "   A" and resid 111  and name HE% )
      6.000     4.500     0.000 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.97961E-03 ppm1      4.649 ppm2      1.940 CV     1
 ASSI { 2132}
   (( segid "   A" and resid 223  and name HA  ))
   (( segid "   A" and resid 226  and name HB1 ))
      6.000     4.500     0.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.67368E-02 ppm1      4.347 ppm2      1.959 CV     1
 OR { 2132}
   (( segid "   A" and resid 223  and name HA  ))
   (( segid "   A" and resid 226  and name HB2 ))
 OR { 2132}
   (( segid "   A" and resid 126  and name HA  ))
   (( segid "   A" and resid 129  and name HB2 ))
 ASSI { 2133}
   (( segid "   A" and resid 223  and name HB1 ))
   (( segid "   A" and resid 226  and name HB2 ))
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.77335E-03 ppm1      2.605 ppm2      1.957 CV     1
 OR { 2133}
   (( segid "   A" and resid 223  and name HB1 ))
   (( segid "   A" and resid 226  and name HB1 ))
 ASSI { 2134}
   (( segid "   A" and resid 235  and name HB  ))
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.13740E-02 ppm1      1.604 ppm2      1.943 CV     1
 ASSI { 2135}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 258  and name HB2 ))
      6.000     4.500     0.000 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.18658E-01 ppm1      2.214 ppm2      1.951 CV     1
 ASSI { 2136}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 258  and name HB2 ))
      6.000     4.500     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.99831E-02 ppm1      2.113 ppm2      1.947 CV     1
 ASSI { 2137}
   (( segid "   A" and resid 278  and name HG2 ))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.49521E-02 ppm1      2.327 ppm2      1.939 CV     1
 ASSI { 2138}
   (( segid "   A" and resid 278  and name HG1 ))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.49997E-02 ppm1      2.232 ppm2      1.939 CV     1
 ASSI { 2140}
   (( segid "   A" and resid 125  and name HB2 ))
   (( segid "   A" and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.12345E-01 ppm1      2.155 ppm2      1.953 CV     1
 OR { 2140}
   (( segid "   A" and resid 171  and name HB1 ))
   (( segid "   A" and resid 167  and name HB2 ))
 ASSI { 2141}
   (  segid "   A" and resid 201  and name HD1%)
   (  segid "   A" and resid 111  and name HE% )
      6.000     4.500     0.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.46581E-02 ppm1      0.790 ppm2      1.959 CV     1
 ASSI { 2142}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 270  and name HG2 ))
      6.000     4.500     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      0.406 ppm2      1.947 CV     1
 OR { 2142}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 270  and name HB1 ))
 ASSI { 2143}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.12540E-02 ppm1     -0.123 ppm2      1.942 CV     1
 OR { 2143}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 270  and name HG2 ))
 ASSI { 2144}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.95183E-03 ppm1      4.171 ppm2      1.925 CV     1
 ASSI { 2146}
   (( segid "   A" and resid 255  and name HA  ))
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.13545E-02 ppm1      4.559 ppm2      1.933 CV     1
 ASSI { 2147}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.90740E-03 ppm1      5.050 ppm2      1.915 CV     1
 ASSI { 2148}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.15037E-02 ppm1      2.396 ppm2      1.914 CV     1
 OR { 2148}
   (( segid "   A" and resid 266  and name HA  ))
   (( segid "   A" and resid 270  and name HB1 ))
 ASSI { 2150}
   (( segid "   A" and resid 270  and name HA  ))
   (( segid "   A" and resid 270  and name HB1 ))
      6.000     4.500     0.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.26960E-02 ppm1      4.945 ppm2      1.926 CV     1
 ASSI { 2151}
   (( segid "   A" and resid 173  and name HA  ))
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.20680E-02 ppm1      5.044 ppm2      1.911 CV     1
 ASSI { 2152}
   (( segid "   A" and resid 278  and name HA  ))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.35965E-02 ppm1      4.330 ppm2      1.936 CV     1
 ASSI { 2153}
   (( segid "   A" and resid 277  and name HA1 ))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.44678E-03 ppm1      4.053 ppm2      1.918 CV     1
 OR { 2153}
   (( segid "   A" and resid 283  and name HA2 ))
   (( segid "   A" and resid 168  and name HG  ))
 ASSI { 2156}
   (( segid "   A" and resid 123  and name HB1 ))
   (( segid "   A" and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.20626E-02 ppm1      1.376 ppm2      1.918 CV     1
 ASSI { 2157}
   (( segid "   A" and resid 138  and name HB  ))
   (( segid "   A" and resid 138  and name HG12))
      6.000     4.500     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      1.627 ppm2      1.913 CV     1
 ASSI { 2158}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.12778E-02 ppm1      2.552 ppm2      1.932 CV     1
 OR { 2158}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 235  and name HG12))
 ASSI { 2159}
   (( segid "   A" and resid 278  and name HB2 ))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.18788E-01 ppm1      2.128 ppm2      1.930 CV     1
 ASSI { 2160}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 177  and name HB1 ))
      6.000     4.500     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.44689E-02 ppm1      0.887 ppm2      1.916 CV     1
 OR { 2160}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 173  and name HB1 ))
 OR { 2160}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 173  and name HB1 ))
 OR { 2160}
   (  segid "   A" and resid 176  and name HG2%)
   (  segid "   A" and resid 177  and name HE% )
 ASSI { 2161}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.33057E-02 ppm1      0.691 ppm2      1.919 CV     1
 ASSI { 2162}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.20539E-02 ppm1      0.219 ppm2      1.930 CV     1
 ASSI { 2163}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.76925E-02 ppm1      1.385 ppm2      1.910 CV     1
 ASSI { 2164}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 270  and name HG2 ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.63671E-02 ppm1      0.183 ppm2      1.933 CV     1
 OR { 2164}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 270  and name HB1 ))
 ASSI { 2165}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.39295E-02 ppm1      0.677 ppm2      1.929 CV     1
 ASSI { 2166}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 163  and name HG2 ))
      6.000     4.500     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      4.195 ppm2      1.888 CV     1
 ASSI { 2167}
   (( segid "   A" and resid 138  and name HA  ))
   (( segid "   A" and resid 138  and name HG12))
      6.000     4.500     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.12907E-02 ppm1      3.750 ppm2      1.891 CV     1
 ASSI { 2168}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 259  and name HB2 ))
      6.000     4.500     0.000 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.61412E-03 ppm1      4.853 ppm2      1.897 CV     1
 ASSI { 2169}
   (( segid "   A" and resid 170  and name HA  ))
   (( segid "   A" and resid 185  and name HB  ))
      6.000     4.500     0.000 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.23350E-02 ppm1      3.713 ppm2      1.886 CV     1
 OR { 2169}
   (( segid "   A" and resid 170  and name HA  ))
   (( segid "   A" and resid 173  and name HB1 ))
 ASSI { 2172}
   (( segid "   A" and resid 178  and name HA  ))
   (( segid "   A" and resid 177  and name HB1 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.81043E-02 ppm1      4.616 ppm2      1.903 CV     1
 OR { 2172}
   (( segid "   A" and resid 178  and name HA  ))
   (  segid "   A" and resid 177  and name HE% )
 ASSI { 2173}
   (( segid "   A" and resid 181  and name HD2 ))
   (( segid "   A" and resid 181  and name HB1 ))
      6.000     4.500     0.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.33522E-02 ppm1      3.002 ppm2      1.887 CV     1
 OR { 2173}
   (( segid "   A" and resid 181  and name HD1 ))
   (( segid "   A" and resid 181  and name HB1 ))
 ASSI { 2174}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 259  and name HB2 ))
      6.000     4.500     0.000 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.47640E-02 ppm1      3.043 ppm2      1.884 CV     1
 OR { 2174}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 259  and name HB2 ))
 ASSI { 2176}
   (( segid "   A" and resid 174  and name HB2 ))
   (( segid "   A" and resid 185  and name HB  ))
      6.000     4.500     0.000 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.12680E-02 ppm1      2.962 ppm2      1.882 CV     1
 ASSI { 2177}
   (( segid "   A" and resid 259  and name HB1 ))
   (( segid "   A" and resid 259  and name HB2 ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.49208E-02 ppm1      2.012 ppm2      1.887 CV     1
 ASSI { 2178}
   (( segid "   A" and resid 138  and name HG11))
   (( segid "   A" and resid 138  and name HG12))
      6.000     4.500     0.000 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.92826E-03 ppm1      0.314 ppm2      1.898 CV     1
 ASSI { 2179}
   (( segid "   A" and resid 288  and name HG1 ))
   (( segid "   A" and resid 288  and name HB2 ))
      6.000     4.500     0.000 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.17674E-02 ppm1      2.316 ppm2      1.889 CV     1
 ASSI { 2180}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 168  and name HG  ))
      6.000     4.500     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.12669E-01 ppm1      0.895 ppm2      1.884 CV     1
 ASSI { 2181}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 185  and name HB  ))
      6.000     4.500     0.000 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.25188E-01 ppm1      0.988 ppm2      1.884 CV     1
 OR { 2181}
   (  segid "   A" and resid 185  and name HG2%)
   (( segid "   A" and resid 185  and name HB  ))
 ASSI { 2182}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 185  and name HB  ))
      6.000     4.500     0.000 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.11275E-02 ppm1      0.293 ppm2      1.908 CV     1
 OR { 2182}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 173  and name HB1 ))
 ASSI { 2183}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 138  and name HG12))
      6.000     4.500     0.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.17902E-02 ppm1      0.130 ppm2      1.898 CV     1
 ASSI { 2184}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 168  and name HB2 ))
      6.000     4.500     0.000 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.81854E-03 ppm1      0.650 ppm2      1.886 CV     1
 OR { 2184}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 168  and name HG  ))
 ASSI { 2185}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      1.344 ppm2      1.885 CV     1
 OR { 2185}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 168  and name HB2 ))
 ASSI { 2186}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 138  and name HG12))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.23425E-02 ppm1      1.608 ppm2      1.890 CV     1
 OR { 2186}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 129  and name HB1 ))
 ASSI { 2187}
   (( segid "   A" and resid 163  and name HA  ))
   (( segid "   A" and resid 163  and name HG2 ))
      6.000     4.500     0.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.97691E-03 ppm1      4.140 ppm2      1.882 CV     1
 ASSI { 2190}
   (( segid "   A" and resid 288  and name HA  ))
   (( segid "   A" and resid 288  and name HB2 ))
      6.000     4.500     0.000 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.20096E-02 ppm1      4.349 ppm2      1.874 CV     1
 ASSI { 2192}
   (( segid "   A" and resid 162  and name HA  ))
   (( segid "   A" and resid 163  and name HG2 ))
      6.000     4.500     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.10810E-02 ppm1      4.856 ppm2      1.877 CV     1
 ASSI { 2193}
   (( segid "   A" and resid 107  and name HA  ))
   (( segid "   A" and resid 110  and name HB  ))
      6.000     4.500     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.26928E-02 ppm1      3.925 ppm2      1.870 CV     1
 ASSI { 2194}
   (( segid "   A" and resid 205  and name HA  ))
   (( segid "   A" and resid 288  and name HB2 ))
      6.000     4.500     0.000 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.14680E-02 ppm1      3.855 ppm2      1.859 CV     1
 ASSI { 2195}
   (( segid "   A" and resid 165  and name HA  ))
   (( segid "   A" and resid 168  and name HB2 ))
      6.000     4.500     0.000 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.84892E-03 ppm1      3.634 ppm2      1.868 CV     1
 ASSI { 2196}
   (( segid "   A" and resid 163  and name HD1 ))
   (( segid "   A" and resid 163  and name HG2 ))
      6.000     4.500     0.000 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.24247E-02 ppm1      4.011 ppm2      1.857 CV     1
 ASSI { 2198}
   (( segid "   A" and resid 201  and name HB2 ))
   (( segid "   A" and resid 201  and name HG  ))
      6.000     4.500     0.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.77725E-03 ppm1      2.132 ppm2      1.856 CV     1
 ASSI { 2199}
   (( segid "   A" and resid 174  and name HB1 ))
   (( segid "   A" and resid 185  and name HB  ))
      6.000     4.500     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.11005E-02 ppm1      2.872 ppm2      1.882 CV     1
 OR { 2199}
   (( segid "   A" and resid 174  and name HB1 ))
   (( segid "   A" and resid 173  and name HB1 ))
 ASSI { 2200}
   (( segid "   A" and resid 110  and name HG12))
   (( segid "   A" and resid 110  and name HB  ))
      6.000     4.500     0.000 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.22204E-02 ppm1      1.033 ppm2      1.870 CV     1
 ASSI { 2201}
   (( segid "   A" and resid 200  and name HB2 ))
   (( segid "   A" and resid 201  and name HG  ))
      6.000     4.500     0.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.11794E-01 ppm1      2.192 ppm2      1.881 CV     1
 OR { 2201}
   (( segid "   A" and resid 130  and name HB2 ))
   (( segid "   A" and resid 129  and name HB1 ))
 ASSI { 2202}
   (( segid "   A" and resid 191  and name HG11))
   (( segid "   A" and resid 191  and name HB  ))
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.31792E-02 ppm1      1.240 ppm2      1.873 CV     1
 ASSI { 2204}
   (( segid "   A" and resid 181  and name HG1 ))
   (( segid "   A" and resid 181  and name HB1 ))
      6.000     4.500     0.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.82038E-02 ppm1      1.537 ppm2      1.867 CV     1
 OR { 2204}
   (( segid "   A" and resid 181  and name HG2 ))
   (( segid "   A" and resid 181  and name HB1 ))
 ASSI { 2205}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 168  and name HB2 ))
      6.000     4.500     0.000 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.97312E-02 ppm1      1.013 ppm2      1.879 CV     1
 ASSI { 2206}
   (  segid "   A" and resid 194  and name HB% )
   (( segid "   A" and resid 110  and name HB  ))
      6.000     4.500     0.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.60926E-02 ppm1      1.430 ppm2      1.876 CV     1
 OR { 2206}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 129  and name HB1 ))
 OR { 2206}
   (  segid "   A" and resid 194  and name HB% )
   (( segid "   A" and resid 191  and name HB  ))
 ASSI { 2207}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 210  and name HB2 ))
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.53294E-02 ppm1      1.513 ppm2      1.860 CV     1
 ASSI { 2208}
   (  segid "   A" and resid 191  and name HG2%)
   (( segid "   A" and resid 191  and name HB  ))
      6.000     4.500     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.21134E-01 ppm1      0.898 ppm2      1.869 CV     1
 ASSI { 2209}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 110  and name HB  ))
      6.000     4.500     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.17026E-01 ppm1      0.838 ppm2      1.873 CV     1
 ASSI { 2210}
   (  segid "   A" and resid 191  and name HD1%)
   (( segid "   A" and resid 191  and name HB  ))
      6.000     4.500     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.16366E-01 ppm1      0.843 ppm2      1.869 CV     1
 ASSI { 2211}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 248  and name HB2 ))
      6.000     4.500     0.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.54537E-03 ppm1      4.267 ppm2      1.832 CV     1
 ASSI { 2215}
   (( segid "   A" and resid 120  and name HB1 ))
   (( segid "   A" and resid 123  and name HG  ))
      6.000     4.500     0.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.64061E-03 ppm1      2.738 ppm2      1.832 CV     1
 ASSI { 2216}
   (( segid "   A" and resid 284  and name HB2 ))
   (( segid "   A" and resid 284  and name HB1 ))
      6.000     4.500     0.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.10832E-01 ppm1      1.972 ppm2      1.832 CV     1
 ASSI { 2217}
   (( segid "   A" and resid 210  and name HG1 ))
   (( segid "   A" and resid 210  and name HB2 ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.37241E-02 ppm1      1.468 ppm2      1.838 CV     1
 ASSI { 2218}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 201  and name HG  ))
      6.000     4.500     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.62569E-02 ppm1      0.790 ppm2      1.851 CV     1
 ASSI { 2220}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 225  and name HB  ))
      6.000     4.500     0.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.14821E-02 ppm1      0.674 ppm2      1.837 CV     1
 ASSI { 2221}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 110  and name HB  ))
      6.000     4.500     0.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.69260E-02 ppm1      1.443 ppm2      1.850 CV     1
 OR { 2221}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 110  and name HB  ))
 OR { 2221}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 163  and name HG2 ))
 OR { 2221}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 201  and name HG  ))
 OR { 2221}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 168  and name HB2 ))
 ASSI { 2222}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 225  and name HB  ))
      6.000     4.500     0.000 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.84157E-02 ppm1      0.614 ppm2      1.828 CV     1
 ASSI { 2223}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 201  and name HG  ))
      6.000     4.500     0.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.41965E-02 ppm1      0.786 ppm2      1.849 CV     1
 ASSI { 2224}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 225  and name HB  ))
      6.000     4.500     0.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.35295E-02 ppm1      0.633 ppm2      1.830 CV     1
 ASSI { 2226}
   (( segid "   A" and resid 287  and name HA  ))
   (( segid "   A" and resid 288  and name HG2 ))
      6.000     4.500     0.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.91853E-03 ppm1      4.652 ppm2      1.769 CV     1
 ASSI { 2228}
   (( segid "   A" and resid 248  and name HA  ))
   (( segid "   A" and resid 248  and name HB2 ))
      6.000     4.500     0.000 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.49132E-02 ppm1      4.421 ppm2      1.825 CV     1
 ASSI { 2229}
   (( segid "   A" and resid 157  and name HB2 ))
   (( segid "   A" and resid 113  and name HB1 ))
      6.000     4.500     0.000 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.74092E-03 ppm1      2.735 ppm2      1.811 CV     1
 ASSI { 2230}
   (( segid "   A" and resid 108  and name HB2 ))
   (( segid "   A" and resid 108  and name HB1 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.58245E-02 ppm1      1.475 ppm2      1.801 CV     1
 ASSI { 2231}
   (( segid "   A" and resid 120  and name HB1 ))
   (( segid "   A" and resid 123  and name HG  ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.82535E-03 ppm1      2.770 ppm2      1.820 CV     1
 ASSI { 2232}
   (( segid "   A" and resid 218  and name HG1 ))
   (( segid "   A" and resid 218  and name HB2 ))
      6.000     4.500     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.76708E-02 ppm1      2.206 ppm2      1.787 CV     1
 ASSI { 2233}
   (( segid "   A" and resid 218  and name HG2 ))
   (( segid "   A" and resid 218  and name HB2 ))
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.82265E-02 ppm1      2.108 ppm2      1.778 CV     1
 ASSI { 2234}
   (( segid "   A" and resid 248  and name HB1 ))
   (( segid "   A" and resid 248  and name HB2 ))
      6.000     4.500     0.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.54472E-02 ppm1      1.624 ppm2      1.822 CV     1
 ASSI { 2235}
   (( segid "   A" and resid 122  and name HB2 ))
   (( segid "   A" and resid 122  and name HG1 ))
      6.000     4.500     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.50461E-02 ppm1      2.158 ppm2      1.819 CV     1
 ASSI { 2236}
   (( segid "   A" and resid 248  and name HD1 ))
   (( segid "   A" and resid 248  and name HB2 ))
      6.000     4.500     0.000 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.87151E-02 ppm1      1.591 ppm2      1.820 CV     1
 OR { 2236}
   (( segid "   A" and resid 248  and name HD2 ))
   (( segid "   A" and resid 248  and name HB2 ))
 ASSI { 2237}
   (  segid "   A" and resid 123  and name HD2%)
   (( segid "   A" and resid 123  and name HG  ))
      6.000     4.500     0.000 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.66428E-02 ppm1      0.950 ppm2      1.823 CV     1
 ASSI { 2238}
   (  segid "   A" and resid 108  and name HD1%)
   (( segid "   A" and resid 108  and name HB1 ))
      6.000     4.500     0.000 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.15945E-01 ppm1      0.830 ppm2      1.804 CV     1
 ASSI { 2239}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 225  and name HB  ))
      6.000     4.500     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.12345E-02 ppm1     -0.083 ppm2      1.817 CV     1
 ASSI { 2240}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 123  and name HG  ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.13394E-01 ppm1      0.927 ppm2      1.816 CV     1
 ASSI { 2241}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 225  and name HB  ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.16723E-02 ppm1      0.084 ppm2      1.823 CV     1
 ASSI { 2242}
   (( segid "   A" and resid 267  and name HA  ))
   (( segid "   A" and resid 282  and name HB  ))
      6.000     4.500     0.000 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.98242E-03 ppm1      3.472 ppm2      1.778 CV     1
 ASSI { 2243}
   (( segid "   A" and resid 134  and name HA  ))
   (( segid "   A" and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.14821E-02 ppm1      4.029 ppm2      1.773 CV     1
 ASSI { 2244}
   (( segid "   A" and resid 114  and name HA  ))
   (( segid "   A" and resid 113  and name HB1 ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.13675E-02 ppm1      4.726 ppm2      1.782 CV     1
 OR { 2244}
   (( segid "   A" and resid 132  and name HA  ))
   (( segid "   A" and resid 134  and name HG2 ))
 ASSI { 2246}
   (( segid "   A" and resid 167  and name HA  ))
   (( segid "   A" and resid 170  and name HB2 ))
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.28139E-02 ppm1      3.714 ppm2      1.780 CV     1
 OR { 2246}
   (( segid "   A" and resid 170  and name HA  ))
   (( segid "   A" and resid 170  and name HB2 ))
 ASSI { 2248}
   (( segid "   A" and resid 178  and name HA  ))
   (( segid "   A" and resid 177  and name HB2 ))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.42192E-02 ppm1      4.617 ppm2      1.789 CV     1
 ASSI { 2249}
   (( segid "   A" and resid 134  and name HD2 ))
   (( segid "   A" and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.66223E-03 ppm1      3.095 ppm2      1.782 CV     1
 ASSI { 2250}
   (( segid "   A" and resid 177  and name HG2 ))
   (( segid "   A" and resid 177  and name HB2 ))
      6.000     4.500     0.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.71476E-02 ppm1      2.282 ppm2      1.786 CV     1
 ASSI { 2251}
   (( segid "   A" and resid 181  and name HG2 ))
   (( segid "   A" and resid 181  and name HB2 ))
      6.000     4.500     0.000 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.91940E-02 ppm1      1.536 ppm2      1.775 CV     1
 OR { 2251}
   (( segid "   A" and resid 181  and name HG1 ))
   (( segid "   A" and resid 181  and name HB2 ))
 ASSI { 2252}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 282  and name HB  ))
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.19339E-01 ppm1      0.983 ppm2      1.794 CV     1
 ASSI { 2253}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 282  and name HB  ))
      6.000     4.500     0.000 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.21988E-02 ppm1      0.342 ppm2      1.791 CV     1
 ASSI { 2254}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 282  and name HB  ))
      6.000     4.500     0.000 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.22734E-02 ppm1      0.404 ppm2      1.796 CV     1
 ASSI { 2255}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 282  and name HB  ))
      6.000     4.500     0.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.97550E-03 ppm1      1.247 ppm2      1.784 CV     1
 ASSI { 2256}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 256  and name HB2 ))
      6.000     4.500     0.000 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.10886E-02 ppm1      0.218 ppm2      1.774 CV     1
 ASSI { 2257}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.58169E-02 ppm1      1.385 ppm2      1.786 CV     1
 OR { 2257}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 170  and name HB2 ))
 ASSI { 2259}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 218  and name HB2 ))
      6.000     4.500     0.000 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.11015E-02 ppm1      3.870 ppm2      1.771 CV     1
 OR { 2259}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 281  and name HB2 ))
 OR { 2259}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 281  and name HB1 ))
 OR { 2259}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 134  and name HG2 ))
 ASSI { 2261}
   (( segid "   A" and resid 234  and name HA  ))
   (( segid "   A" and resid 234  and name HB2 ))
      6.000     4.500     0.000 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.10125E-01 ppm1      4.256 ppm2      1.759 CV     1
 OR { 2261}
   (( segid "   A" and resid 234  and name HA  ))
   (( segid "   A" and resid 234  and name HB1 ))
 ASSI { 2262}
   (( segid "   A" and resid 172  and name HA  ))
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.37079E-02 ppm1      4.456 ppm2      1.759 CV     1
 ASSI { 2263}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.10617E-02 ppm1      2.392 ppm2      1.754 CV     1
 OR { 2263}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 170  and name HB2 ))
 ASSI { 2265}
   (( segid "   A" and resid 281  and name HA  ))
   (( segid "   A" and resid 281  and name HB1 ))
      6.000     4.500     0.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      5.268 ppm2      1.753 CV     1
 OR { 2265}
   (( segid "   A" and resid 281  and name HA  ))
   (( segid "   A" and resid 281  and name HB2 ))
 ASSI { 2266}
   (( segid "   A" and resid 134  and name HD2 ))
   (( segid "   A" and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.64752E-03 ppm1      3.071 ppm2      1.752 CV     1
 ASSI { 2269}
   (( segid "   A" and resid 186  and name HA1 ))
   (( segid "   A" and resid 170  and name HB2 ))
      6.000     4.500     0.000 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.46202E-03 ppm1      4.492 ppm2      1.763 CV     1
 OR { 2269}
   (( segid "   A" and resid 186  and name HA1 ))
   (( segid "   A" and resid 184  and name HB2 ))
 ASSI { 2272}
   (( segid "   A" and resid 170  and name HB1 ))
   (( segid "   A" and resid 170  and name HB2 ))
      6.000     4.500     0.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.95377E-02 ppm1      1.579 ppm2      1.749 CV     1
 ASSI { 2273}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 259  and name HD2 ))
      6.000     4.500     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.27360E-01 ppm1      3.044 ppm2      1.757 CV     1
 OR { 2273}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 259  and name HD1 ))
 OR { 2273}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 259  and name HD1 ))
 ASSI { 2274}
   (( segid "   A" and resid 172  and name HG2 ))
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      2.763 ppm2      1.760 CV     1
 ASSI { 2275}
   (( segid "   A" and resid 259  and name HB1 ))
   (( segid "   A" and resid 259  and name HD2 ))
      6.000     4.500     0.000 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.28733E-02 ppm1      2.012 ppm2      1.763 CV     1
 OR { 2275}
   (( segid "   A" and resid 259  and name HB1 ))
   (( segid "   A" and resid 259  and name HD1 ))
 ASSI { 2277}
   (( segid "   A" and resid 134  and name HB1 ))
   (( segid "   A" and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.69466E-03 ppm1      0.296 ppm2      1.748 CV     1
 ASSI { 2278}
   (( segid "   A" and resid 258  and name HB1 ))
   (( segid "   A" and resid 234  and name HB1 ))
      6.000     4.500     0.000 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.56364E-02 ppm1      2.196 ppm2      1.764 CV     1
 OR { 2278}
   (( segid "   A" and resid 258  and name HB1 ))
   (( segid "   A" and resid 259  and name HD2 ))
 OR { 2278}
   (( segid "   A" and resid 258  and name HB1 ))
   (( segid "   A" and resid 234  and name HB2 ))
 OR { 2278}
   (( segid "   A" and resid 258  and name HB1 ))
   (( segid "   A" and resid 259  and name HD1 ))
 ASSI { 2279}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 206  and name HG2 ))
      6.000     4.500     0.000 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.15426E-01 ppm1      1.984 ppm2      1.755 CV     1
 OR { 2279}
   (( segid "   A" and resid 206  and name HB1 ))
   (( segid "   A" and resid 206  and name HG2 ))
 ASSI { 2280}
   (( segid "   A" and resid 196  and name HG1 ))
   (( segid "   A" and resid 196  and name HB1 ))
      6.000     4.500     0.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.45132E-02 ppm1      2.069 ppm2      1.751 CV     1
 ASSI { 2282}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 170  and name HB2 ))
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.16896E-01 ppm1      0.785 ppm2      1.768 CV     1
 ASSI { 2283}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 281  and name HB1 ))
      6.000     4.500     0.000 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.37738E-02 ppm1      1.273 ppm2      1.754 CV     1
 OR { 2283}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 281  and name HB2 ))
 ASSI { 2284}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 181  and name HB2 ))
      6.000     4.500     0.000 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.36354E-02 ppm1      0.949 ppm2      1.759 CV     1
 OR { 2284}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 177  and name HB2 ))
 OR { 2284}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 282  and name HB  ))
 OR { 2284}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 184  and name HB2 ))
 ASSI { 2285}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 206  and name HG2 ))
      6.000     4.500     0.000 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.42462E-02 ppm1      1.144 ppm2      1.753 CV     1
 ASSI { 2286}
   (( segid "   A" and resid 286  and name HA  ))
   (( segid "   A" and resid 284  and name HD1 ))
      6.000     4.500     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.64363E-03 ppm1      4.505 ppm2      1.730 CV     1
 OR { 2286}
   (( segid "   A" and resid 286  and name HA  ))
   (( segid "   A" and resid 284  and name HD2 ))
 ASSI { 2288}
   (( segid "   A" and resid 157  and name HA  ))
   (( segid "   A" and resid 113  and name HG2 ))
      6.000     4.500     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.48148E-03 ppm1      5.460 ppm2      1.719 CV     1
 OR { 2288}
   (( segid "   A" and resid 157  and name HA  ))
   (( segid "   A" and resid 113  and name HB2 ))
 ASSI { 2290}
   (( segid "   A" and resid 107  and name HA  ))
   (( segid "   A" and resid 110  and name HG11))
      6.000     4.500     0.000 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.12788E-02 ppm1      3.925 ppm2      1.718 CV     1
 ASSI { 2291}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 113  and name HB2 ))
      6.000     4.500     0.000 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.28139E-02 ppm1      5.007 ppm2      1.729 CV     1
 OR { 2291}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 113  and name HG2 ))
 ASSI { 2294}
   (( segid "   A" and resid 113  and name HD2 ))
   (( segid "   A" and resid 113  and name HG2 ))
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.52980E-02 ppm1      3.072 ppm2      1.737 CV     1
 OR { 2294}
   (( segid "   A" and resid 113  and name HD2 ))
   (( segid "   A" and resid 113  and name HB2 ))
 ASSI { 2295}
   (( segid "   A" and resid 113  and name HD1 ))
   (( segid "   A" and resid 113  and name HG2 ))
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.46191E-02 ppm1      2.901 ppm2      1.734 CV     1
 OR { 2295}
   (( segid "   A" and resid 113  and name HD1 ))
   (( segid "   A" and resid 113  and name HB2 ))
 ASSI { 2296}
   (( segid "   A" and resid 284  and name HE2 ))
   (( segid "   A" and resid 284  and name HD2 ))
      6.000     4.500     0.000 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.17988E-01 ppm1      2.983 ppm2      1.728 CV     1
 OR { 2296}
   (( segid "   A" and resid 284  and name HE1 ))
   (( segid "   A" and resid 284  and name HD1 ))
 OR { 2296}
   (( segid "   A" and resid 284  and name HE2 ))
   (( segid "   A" and resid 284  and name HD1 ))
 ASSI { 2297}
   (( segid "   A" and resid 174  and name HB2 ))
   (( segid "   A" and resid 170  and name HG  ))
      6.000     4.500     0.000 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      2.980 ppm2      1.726 CV     1
 ASSI { 2298}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 234  and name HD1 ))
      6.000     4.500     0.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.10408E-02 ppm1      2.555 ppm2      1.733 CV     1
 OR { 2298}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 234  and name HD1 ))
 ASSI { 2300}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 259  and name HD2 ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.50386E-02 ppm1      2.114 ppm2      1.741 CV     1
 OR { 2300}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 259  and name HD1 ))
 ASSI { 2301}
   (( segid "   A" and resid 162  and name HB  ))
   (( segid "   A" and resid 163  and name HB1 ))
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.74579E-03 ppm1      2.203 ppm2      1.719 CV     1
 ASSI { 2302}
   (( segid "   A" and resid 184  and name HB1 ))
   (( segid "   A" and resid 184  and name HB2 ))
      6.000     4.500     0.000 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.13286E-01 ppm1      1.593 ppm2      1.730 CV     1
 ASSI { 2303}
   (( segid "   A" and resid 113  and name HG1 ))
   (( segid "   A" and resid 113  and name HG2 ))
      6.000     4.500     0.000 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.58558E-02 ppm1      1.383 ppm2      1.728 CV     1
 ASSI { 2304}
   (( segid "   A" and resid 112  and name HB1 ))
   (( segid "   A" and resid 113  and name HB2 ))
      6.000     4.500     0.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.47381E-03 ppm1      3.566 ppm2      1.729 CV     1
 OR { 2304}
   (( segid "   A" and resid 112  and name HB1 ))
   (( segid "   A" and resid 113  and name HG2 ))
 OR { 2304}
   (( segid "   A" and resid 112  and name HB1 ))
   (( segid "   A" and resid 108  and name HG  ))
 ASSI { 2307}
   (( segid "   A" and resid 284  and name HG1 ))
   (( segid "   A" and resid 284  and name HD2 ))
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.18237E-01 ppm1      1.545 ppm2      1.738 CV     1
 OR { 2307}
   (( segid "   A" and resid 284  and name HG2 ))
   (( segid "   A" and resid 284  and name HD1 ))
 OR { 2307}
   (( segid "   A" and resid 284  and name HG1 ))
   (( segid "   A" and resid 284  and name HD1 ))
 ASSI { 2308}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 259  and name HD2 ))
      6.000     4.500     0.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.28420E-01 ppm1      1.475 ppm2      1.734 CV     1
 OR { 2308}
   (( segid "   A" and resid 234  and name HG2 ))
   (( segid "   A" and resid 234  and name HD1 ))
 OR { 2308}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 259  and name HD1 ))
 ASSI { 2309}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 184  and name HB2 ))
      6.000     4.500     0.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.27868E-02 ppm1      0.704 ppm2      1.719 CV     1
 OR { 2309}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 184  and name HD2 ))
 OR { 2309}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 184  and name HD1 ))
 OR { 2309}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 281  and name HB1 ))
 OR { 2309}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 281  and name HB2 ))
 ASSI { 2310}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 284  and name HD1 ))
      6.000     4.500     0.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.25274E-02 ppm1      0.781 ppm2      1.745 CV     1
 OR { 2310}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 284  and name HD2 ))
 ASSI { 2311}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 250  and name HD1 ))
      6.000     4.500     0.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.42462E-02 ppm1      0.776 ppm2      1.745 CV     1
 ASSI { 2312}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 163  and name HB1 ))
      6.000     4.500     0.000 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.82708E-02 ppm1      1.443 ppm2      1.725 CV     1
 OR { 2312}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 110  and name HG11))
 OR { 2312}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 110  and name HG11))
 OR { 2312}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 113  and name HB2 ))
 OR { 2312}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 108  and name HG  ))
 OR { 2312}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 113  and name HG2 ))
 OR { 2312}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 108  and name HG  ))
 ASSI { 2313}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 170  and name HB2 ))
      6.000     4.500     0.000 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.27468E-02 ppm1      1.345 ppm2      1.745 CV     1
 OR { 2313}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 172  and name HB2 ))
 ASSI { 2314}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 196  and name HB1 ))
      6.000     4.500     0.000 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.46527E-02 ppm1      0.786 ppm2      1.736 CV     1
 ASSI { 2317}
   (( segid "   A" and resid 112  and name HA  ))
   (( segid "   A" and resid 163  and name HB1 ))
      6.000     4.500     0.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.95042E-03 ppm1      4.154 ppm2      1.703 CV     1
 ASSI { 2319}
   (( segid "   A" and resid 110  and name HB  ))
   (( segid "   A" and resid 110  and name HG11))
      6.000     4.500     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.33760E-02 ppm1      1.877 ppm2      1.713 CV     1
 ASSI { 2320}
   (( segid "   A" and resid 159  and name HB2 ))
   (( segid "   A" and resid 159  and name HB1 ))
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.36181E-02 ppm1      2.035 ppm2      1.707 CV     1
 ASSI { 2321}
   (( segid "   A" and resid 110  and name HG12))
   (( segid "   A" and resid 110  and name HG11))
      6.000     4.500     0.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.71811E-02 ppm1      1.036 ppm2      1.701 CV     1
 ASSI { 2322}
   (( segid "   A" and resid 210  and name HG1 ))
   (( segid "   A" and resid 210  and name HG2 ))
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.52742E-02 ppm1      1.469 ppm2      1.707 CV     1
 ASSI { 2324}
   (  segid "   A" and resid 108  and name HD1%)
   (( segid "   A" and resid 108  and name HG  ))
      6.000     4.500     0.000 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.17145E-01 ppm1      0.831 ppm2      1.715 CV     1
 ASSI { 2325}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 236  and name HB1 ))
      6.000     4.500     0.000 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.26539E-01 ppm1      1.356 ppm2      1.710 CV     1
 OR { 2325}
   (( segid "   A" and resid 184  and name HG2 ))
   (( segid "   A" and resid 184  and name HB2 ))
 OR { 2325}
   (( segid "   A" and resid 184  and name HG2 ))
   (( segid "   A" and resid 184  and name HD1 ))
 OR { 2325}
   (( segid "   A" and resid 184  and name HG2 ))
   (( segid "   A" and resid 184  and name HD2 ))
 OR { 2325}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 236  and name HB1 ))
 ASSI { 2326}
   (  segid "   A" and resid 108  and name HD2%)
   (( segid "   A" and resid 108  and name HG  ))
      6.000     4.500     0.000 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.16345E-01 ppm1      0.867 ppm2      1.709 CV     1
 ASSI { 2327}
   (  segid "   A" and resid 287  and name HG2%)
   (( segid "   A" and resid 163  and name HB1 ))
      6.000     4.500     0.000 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.42354E-02 ppm1      1.078 ppm2      1.712 CV     1
 ASSI { 2328}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 113  and name HB2 ))
      6.000     4.500     0.000 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.47251E-02 ppm1      0.886 ppm2      1.714 CV     1
 OR { 2328}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 113  and name HG2 ))
 OR { 2328}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 170  and name HG  ))
 ASSI { 2329}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 163  and name HB1 ))
      6.000     4.500     0.000 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.52115E-02 ppm1      0.552 ppm2      1.697 CV     1
 ASSI { 2330}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 110  and name HG11))
      6.000     4.500     0.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.74038E-02 ppm1      0.837 ppm2      1.712 CV     1
 ASSI { 2331}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 163  and name HB1 ))
      6.000     4.500     0.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.85594E-02 ppm1      1.965 ppm2      1.696 CV     1
 ASSI { 2332}
   (( segid "   A" and resid 159  and name HG1 ))
   (( segid "   A" and resid 159  and name HB1 ))
      6.000     4.500     0.000 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.32225E-02 ppm1      2.016 ppm2      1.680 CV     1
 OR { 2332}
   (( segid "   A" and resid 159  and name HG2 ))
   (( segid "   A" and resid 159  and name HB1 ))
 ASSI { 2333}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HB1 ))
      6.000     4.500     0.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.96491E-02 ppm1      1.495 ppm2      1.689 CV     1
 ASSI { 2334}
   (( segid "   A" and resid 149  and name HB  ))
   (( segid "   A" and resid 151  and name HB2 ))
      6.000     4.500     0.000 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.73887E-03 ppm1      4.113 ppm2      1.651 CV     1
 ASSI { 2336}
   (( segid "   A" and resid 151  and name HE1 ))
   (( segid "   A" and resid 151  and name HB2 ))
      6.000     4.500     0.000 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.15837E-02 ppm1      2.734 ppm2      1.654 CV     1
 OR { 2336}
   (( segid "   A" and resid 151  and name HE2 ))
   (( segid "   A" and resid 151  and name HB2 ))
 ASSI { 2337}
   (( segid "   A" and resid 151  and name HB1 ))
   (( segid "   A" and resid 151  and name HB2 ))
      6.000     4.500     0.000 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.37349E-02 ppm1      1.394 ppm2      1.647 CV     1
 ASSI { 2338}
   (( segid "   A" and resid 143  and name HG1 ))
   (( segid "   A" and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.35295E-02 ppm1      2.325 ppm2      1.661 CV     1
 OR { 2338}
   (( segid "   A" and resid 143  and name HG1 ))
   (( segid "   A" and resid 143  and name HB1 ))
 ASSI { 2339}
   (( segid "   A" and resid 143  and name HG2 ))
   (( segid "   A" and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.39576E-02 ppm1      2.227 ppm2      1.658 CV     1
 OR { 2339}
   (( segid "   A" and resid 143  and name HG2 ))
   (( segid "   A" and resid 143  and name HB2 ))
 ASSI { 2340}
   (( segid "   A" and resid 134  and name HB1 ))
   (( segid "   A" and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.70947E-03 ppm1      0.298 ppm2      1.659 CV     1
 ASSI { 2341}
   (( segid "   A" and resid 151  and name HD2 ))
   (( segid "   A" and resid 151  and name HB2 ))
      6.000     4.500     0.000 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.21728E-02 ppm1      1.303 ppm2      1.647 CV     1
 ASSI { 2342}
   (( segid "   A" and resid 141  and name HG11))
   (( segid "   A" and resid 141  and name HB  ))
      6.000     4.500     0.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      0.830 ppm2      1.642 CV     1
 ASSI { 2343}
   (( segid "   A" and resid 238  and name HB2 ))
   (( segid "   A" and resid 226  and name HD2 ))
      6.000     4.500     0.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.10199E-02 ppm1      2.799 ppm2      1.640 CV     1
 ASSI { 2344}
   (( segid "   A" and resid 151  and name HG2 ))
   (( segid "   A" and resid 151  and name HB2 ))
      6.000     4.500     0.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.32538E-02 ppm1      1.202 ppm2      1.640 CV     1
 OR { 2344}
   (( segid "   A" and resid 151  and name HG1 ))
   (( segid "   A" and resid 151  and name HB2 ))
 ASSI { 2345}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.50148E-02 ppm1      1.269 ppm2      1.660 CV     1
 OR { 2345}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 143  and name HB2 ))
 ASSI { 2346}
   (( segid "   A" and resid 138  and name HA  ))
   (( segid "   A" and resid 138  and name HB  ))
      6.000     4.500     0.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      3.748 ppm2      1.625 CV     1
 ASSI { 2349}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 235  and name HB  ))
      6.000     4.500     0.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.54050E-03 ppm1      4.846 ppm2      1.625 CV     1
 ASSI { 2350}
   (( segid "   A" and resid 238  and name HA  ))
   (( segid "   A" and resid 226  and name HD2 ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.56839E-03 ppm1      4.784 ppm2      1.624 CV     1
 OR { 2350}
   (( segid "   A" and resid 238  and name HA  ))
   (( segid "   A" and resid 235  and name HB  ))
 OR { 2350}
   (( segid "   A" and resid 238  and name HA  ))
   (( segid "   A" and resid 210  and name HB1 ))
 ASSI { 2353}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 242  and name HB1 ))
      6.000     4.500     0.000 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.62201E-03 ppm1      2.411 ppm2      1.614 CV     1
 OR { 2353}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 248  and name HB1 ))
 OR { 2353}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 248  and name HD1 ))
 ASSI { 2354}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 226  and name HD2 ))
      6.000     4.500     0.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.14983E-01 ppm1      2.841 ppm2      1.633 CV     1
 OR { 2354}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 226  and name HD1 ))
 OR { 2354}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 226  and name HD2 ))
 ASSI { 2355}
   (( segid "   A" and resid 242  and name HB2 ))
   (( segid "   A" and resid 242  and name HB1 ))
      6.000     4.500     0.000 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.49921E-02 ppm1      1.373 ppm2      1.610 CV     1
 ASSI { 2356}
   (( segid "   A" and resid 138  and name HG11))
   (( segid "   A" and resid 138  and name HB  ))
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.60926E-03 ppm1      0.315 ppm2      1.623 CV     1
 ASSI { 2357}
   (( segid "   A" and resid 198  and name HG11))
   (( segid "   A" and resid 198  and name HG12))
      6.000     4.500     0.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.12378E-02 ppm1      1.235 ppm2      1.614 CV     1
 ASSI { 2358}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 141  and name HB  ))
      6.000     4.500     0.000 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.25825E-02 ppm1      0.130 ppm2      1.609 CV     1
 OR { 2358}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 138  and name HB  ))
 ASSI { 2359}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 235  and name HB  ))
      6.000     4.500     0.000 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.82157E-02 ppm1      0.571 ppm2      1.617 CV     1
 ASSI { 2360}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 235  and name HB  ))
      6.000     4.500     0.000 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.18064E-02 ppm1      0.218 ppm2      1.626 CV     1
 OR { 2360}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 226  and name HD2 ))
 ASSI { 2361}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 138  and name HB  ))
      6.000     4.500     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.11880E-01 ppm1      0.534 ppm2      1.629 CV     1
 ASSI { 2362}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 141  and name HB  ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.11037E-01 ppm1      0.593 ppm2      1.620 CV     1
 ASSI { 2363}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 235  and name HB  ))
      6.000     4.500     0.000 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.47132E-02 ppm1      0.677 ppm2      1.613 CV     1
 ASSI { 2364}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 248  and name HD1 ))
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      4.266 ppm2      1.592 CV     1
 OR { 2364}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 248  and name HD2 ))
 OR { 2364}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 248  and name HB1 ))
 ASSI { 2366}
   (( segid "   A" and resid 246  and name HA  ))
   (( segid "   A" and resid 248  and name HD1 ))
      6.000     4.500     0.000 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.82827E-03 ppm1      4.434 ppm2      1.586 CV     1
 OR { 2366}
   (( segid "   A" and resid 246  and name HA  ))
   (( segid "   A" and resid 248  and name HD2 ))
 OR { 2366}
   (( segid "   A" and resid 246  and name HA  ))
   (( segid "   A" and resid 248  and name HB1 ))
 ASSI { 2367}
   (( segid "   A" and resid 116  and name HA  ))
   (( segid "   A" and resid 116  and name HB  ))
      6.000     4.500     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      4.579 ppm2      1.588 CV     1
 ASSI { 2368}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.15188E-02 ppm1      3.872 ppm2      1.585 CV     1
 OR { 2368}
   (( segid "   A" and resid 135  and name HA  ))
   (  segid "   A" and resid 133  and name HB% )
 OR { 2368}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 220  and name HG  ))
 ASSI { 2369}
   (( segid "   A" and resid 130  and name HA  ))
   (  segid "   A" and resid 133  and name HB% )
      6.000     4.500     0.000 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.47856E-02 ppm1      4.046 ppm2      1.589 CV     1
 ASSI { 2370}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 235  and name HB  ))
      6.000     4.500     0.000 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.85194E-03 ppm1      5.045 ppm2      1.601 CV     1
 ASSI { 2375}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 235  and name HB  ))
      6.000     4.500     0.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.17080E-02 ppm1      2.553 ppm2      1.607 CV     1
 OR { 2375}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 235  and name HB  ))
 OR { 2375}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 234  and name HD2 ))
 ASSI { 2377}
   (( segid "   A" and resid 248  and name HB2 ))
   (( segid "   A" and resid 248  and name HD1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.10156E-01 ppm1      1.825 ppm2      1.582 CV     1
 OR { 2377}
   (( segid "   A" and resid 248  and name HB2 ))
   (( segid "   A" and resid 248  and name HD2 ))
 ASSI { 2378}
   (( segid "   A" and resid 217  and name HB2 ))
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.67704E-03 ppm1      3.058 ppm2      1.596 CV     1
 OR { 2378}
   (( segid "   A" and resid 217  and name HB2 ))
   (( segid "   A" and resid 220  and name HG  ))
 ASSI { 2379}
   (( segid "   A" and resid 129  and name HB1 ))
   (  segid "   A" and resid 133  and name HB% )
      6.000     4.500     0.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.82816E-02 ppm1      1.874 ppm2      1.594 CV     1
 ASSI { 2380}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 220  and name HG  ))
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.54634E-02 ppm1      0.902 ppm2      1.587 CV     1
 ASSI { 2381}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 242  and name HG1 ))
      6.000     4.500     0.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.93821E-02 ppm1      1.330 ppm2      1.591 CV     1
 ASSI { 2382}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 220  and name HG  ))
      6.000     4.500     0.000 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.67920E-02 ppm1      0.693 ppm2      1.597 CV     1
 ASSI { 2383}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 270  and name HG1 ))
      6.000     4.500     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.13977E-02 ppm1      1.249 ppm2      1.605 CV     1
 ASSI { 2384}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 198  and name HG12))
      6.000     4.500     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.51099E-02 ppm1      0.922 ppm2      1.593 CV     1
 ASSI { 2385}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 270  and name HG1 ))
      6.000     4.500     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.36689E-02 ppm1      0.183 ppm2      1.605 CV     1
 ASSI { 2386}
   (( segid "   A" and resid 215  and name HB1 ))
   (( segid "   A" and resid 281  and name HG1 ))
      6.000     4.500     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.74676E-03 ppm1      4.457 ppm2      1.555 CV     1
 ASSI { 2387}
   (( segid "   A" and resid 121  and name HA  ))
   (( segid "   A" and resid 122  and name HB1 ))
      6.000     4.500     0.000 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.26258E-02 ppm1      3.666 ppm2      1.574 CV     1
 OR { 2387}
   (( segid "   A" and resid 263  and name HA  ))
   (( segid "   A" and resid 259  and name HG1 ))
 OR { 2387}
   (( segid "   A" and resid 129  and name HA  ))
   (( segid "   A" and resid 116  and name HB  ))
 ASSI { 2389}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 170  and name HB1 ))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.70449E-03 ppm1      2.393 ppm2      1.559 CV     1
 OR { 2389}
   (( segid "   A" and resid 266  and name HA  ))
   (( segid "   A" and resid 272  and name HB1 ))
 ASSI { 2390}
   (( segid "   A" and resid 243  and name HA  ))
   (( segid "   A" and resid 242  and name HG1 ))
      6.000     4.500     0.000 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.45510E-03 ppm1      4.914 ppm2      1.562 CV     1
 ASSI { 2391}
   (( segid "   A" and resid 178  and name HB2 ))
   (( segid "   A" and resid 178  and name HB1 ))
      6.000     4.500     0.000 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.66504E-02 ppm1      1.404 ppm2      1.570 CV     1
 ASSI { 2394}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 259  and name HG1 ))
      6.000     4.500     0.000 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.86156E-02 ppm1      3.042 ppm2      1.576 CV     1
 OR { 2394}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 259  and name HG1 ))
 ASSI { 2396}
   (( segid "   A" and resid 122  and name HG2 ))
   (( segid "   A" and resid 122  and name HB1 ))
      6.000     4.500     0.000 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.21847E-02 ppm1      1.729 ppm2      1.561 CV     1
 ASSI { 2397}
   (( segid "   A" and resid 203  and name HG2 ))
   (  segid "   A" and resid 202  and name HB% )
      6.000     4.500     0.000 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.86989E-03 ppm1      2.300 ppm2      1.560 CV     1
 OR { 2397}
   (( segid "   A" and resid 203  and name HG1 ))
   (  segid "   A" and resid 202  and name HB% )
 ASSI { 2398}
   (( segid "   A" and resid 259  and name HB1 ))
   (( segid "   A" and resid 259  and name HG1 ))
      6.000     4.500     0.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.22150E-02 ppm1      2.017 ppm2      1.572 CV     1
 ASSI { 2400}
   (( segid "   A" and resid 217  and name HB1 ))
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.68287E-03 ppm1      2.800 ppm2      1.563 CV     1
 ASSI { 2401}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.80038E-02 ppm1      0.968 ppm2      1.574 CV     1
 ASSI { 2402}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.11697E-01 ppm1      1.043 ppm2      1.570 CV     1
 ASSI { 2403}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 116  and name HB  ))
      6.000     4.500     0.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.54786E-02 ppm1      0.289 ppm2      1.556 CV     1
 ASSI { 2404}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 122  and name HB1 ))
      6.000     4.500     0.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.18561E-02 ppm1      0.691 ppm2      1.555 CV     1
 OR { 2404}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 116  and name HB  ))
 OR { 2404}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 181  and name HG2 ))
 OR { 2404}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 181  and name HG1 ))
 ASSI { 2405}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 116  and name HB  ))
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.22680E-02 ppm1      0.240 ppm2      1.559 CV     1
 ASSI { 2406}
   (( segid "   A" and resid 287  and name HB  ))
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.56212E-03 ppm1      4.201 ppm2      1.528 CV     1
 ASSI { 2407}
   (( segid "   A" and resid 286  and name HA  ))
   (  segid "   A" and resid 202  and name HB% )
      6.000     4.500     0.000 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.18431E-02 ppm1      4.502 ppm2      1.546 CV     1
 OR { 2407}
   (( segid "   A" and resid 286  and name HA  ))
   (( segid "   A" and resid 284  and name HG1 ))
 ASSI { 2408}
   (( segid "   A" and resid 199  and name HA  ))
   (  segid "   A" and resid 202  and name HB% )
      6.000     4.500     0.000 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.60137E-02 ppm1      4.391 ppm2      1.551 CV     1
 OR { 2408}
   (( segid "   A" and resid 284  and name HA  ))
   (( segid "   A" and resid 284  and name HG1 ))
 OR { 2408}
   (( segid "   A" and resid 284  and name HA  ))
   (( segid "   A" and resid 284  and name HG2 ))
 ASSI { 2415}
   (( segid "   A" and resid 129  and name HD2 ))
   (( segid "   A" and resid 129  and name HG1 ))
      6.000     4.500     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.52667E-02 ppm1      3.330 ppm2      1.535 CV     1
 OR { 2415}
   (( segid "   A" and resid 129  and name HD2 ))
   (( segid "   A" and resid 129  and name HG2 ))
 ASSI { 2416}
   (( segid "   A" and resid 168  and name HB2 ))
   (( segid "   A" and resid 168  and name HB1 ))
      6.000     4.500     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.19372E-02 ppm1      1.859 ppm2      1.540 CV     1
 ASSI { 2417}
   (( segid "   A" and resid 199  and name HB2 ))
   (  segid "   A" and resid 202  and name HB% )
      6.000     4.500     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.66817E-03 ppm1      2.690 ppm2      1.552 CV     1
 ASSI { 2418}
   (( segid "   A" and resid 199  and name HB1 ))
   (  segid "   A" and resid 202  and name HB% )
      6.000     4.500     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.67498E-03 ppm1      2.639 ppm2      1.546 CV     1
 OR { 2418}
   (( segid "   A" and resid 222  and name HB1 ))
   (( segid "   A" and resid 225  and name HG12))
 ASSI { 2420}
   (( segid "   A" and resid 122  and name HG1 ))
   (( segid "   A" and resid 122  and name HB1 ))
      6.000     4.500     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.31836E-02 ppm1      1.819 ppm2      1.549 CV     1
 ASSI { 2421}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.54872E-02 ppm1      1.417 ppm2      1.528 CV     1
 ASSI { 2425}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 168  and name HB1 ))
      6.000     4.500     0.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.59423E-02 ppm1      1.014 ppm2      1.529 CV     1
 ASSI { 2426}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 284  and name HG1 ))
      6.000     4.500     0.000 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.71260E-02 ppm1      0.962 ppm2      1.533 CV     1
 OR { 2426}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 284  and name HG2 ))
 ASSI { 2427}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.25512E-02 ppm1      0.342 ppm2      1.529 CV     1
 OR { 2427}
   (  segid "   A" and resid 213  and name HG1%)
   (  segid "   A" and resid 285  and name HB% )
 ASSI { 2428}
   (  segid "   A" and resid 205  and name HB% )
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.90383E-02 ppm1      1.145 ppm2      1.536 CV     1
 ASSI { 2429}
   (( segid "   A" and resid 225  and name HA  ))
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      3.827 ppm2      1.515 CV     1
 ASSI { 2430}
   (( segid "   A" and resid 183  and name HA  ))
   (( segid "   A" and resid 183  and name HG12))
      6.000     4.500     0.000 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.12323E-02 ppm1      4.652 ppm2      1.507 CV     1
 OR { 2430}
   (( segid "   A" and resid 183  and name HA  ))
   (( segid "   A" and resid 183  and name HG11))
 ASSI { 2432}
   (( segid "   A" and resid 211  and name HA  ))
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.85735E-03 ppm1      5.081 ppm2      1.521 CV     1
 OR { 2432}
   (( segid "   A" and resid 211  and name HA  ))
   (( segid "   A" and resid 284  and name HG1 ))
 ASSI { 2435}
   (( segid "   A" and resid 183  and name HB  ))
   (( segid "   A" and resid 183  and name HG11))
      6.000     4.500     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.17566E-02 ppm1      2.019 ppm2      1.509 CV     1
 OR { 2435}
   (( segid "   A" and resid 183  and name HB  ))
   (( segid "   A" and resid 183  and name HG12))
 ASSI { 2436}
   (( segid "   A" and resid 225  and name HB  ))
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.25198E-02 ppm1      1.829 ppm2      1.519 CV     1
 ASSI { 2438}
   (( segid "   A" and resid 249  and name HB1 ))
   (( segid "   A" and resid 250  and name HG2 ))
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.45921E-03 ppm1      3.267 ppm2      1.503 CV     1
 ASSI { 2439}
   (( segid "   A" and resid 225  and name HG11))
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.47467E-02 ppm1      1.041 ppm2      1.512 CV     1
 ASSI { 2440}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 272  and name HB1 ))
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.22388E-01 ppm1      0.701 ppm2      1.521 CV     1
 ASSI { 2441}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.23544E-02 ppm1      0.405 ppm2      1.501 CV     1
 OR { 2441}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 281  and name HG1 ))
 OR { 2441}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 240  and name HB2 ))
 ASSI { 2442}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 183  and name HG12))
      6.000     4.500     0.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.11534E-01 ppm1      0.947 ppm2      1.525 CV     1
 OR { 2442}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 183  and name HG11))
 ASSI { 2443}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.45186E-02 ppm1      0.614 ppm2      1.526 CV     1
 ASSI { 2444}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1     -0.126 ppm2      1.524 CV     1
 ASSI { 2445}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.63747E-02 ppm1      0.633 ppm2      1.521 CV     1
 ASSI { 2447}
   (( segid "   A" and resid 236  and name HA  ))
   (( segid "   A" and resid 236  and name HB2 ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.81486E-02 ppm1      4.304 ppm2      1.480 CV     1
 ASSI { 2449}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 250  and name HG2 ))
      6.000     4.500     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.52872E-03 ppm1      2.401 ppm2      1.489 CV     1
 ASSI { 2450}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 259  and name HG2 ))
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.84157E-02 ppm1      3.043 ppm2      1.484 CV     1
 OR { 2450}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 259  and name HG2 ))
 ASSI { 2452}
   (( segid "   A" and resid 240  and name HB1 ))
   (( segid "   A" and resid 240  and name HB2 ))
      6.000     4.500     0.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      0.776 ppm2      1.473 CV     1
 ASSI { 2454}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 259  and name HG2 ))
      6.000     4.500     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.42635E-02 ppm1      2.211 ppm2      1.496 CV     1
 OR { 2454}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 236  and name HB2 ))
 OR { 2454}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 234  and name HG2 ))
 OR { 2454}
   (( segid "   A" and resid 256  and name HG1 ))
   (( segid "   A" and resid 236  and name HB2 ))
 ASSI { 2455}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 259  and name HG2 ))
      6.000     4.500     0.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.29090E-02 ppm1      2.115 ppm2      1.479 CV     1
 OR { 2455}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 234  and name HG2 ))
 ASSI { 2459}
   (( segid "   A" and resid 141  and name HG11))
   (( segid "   A" and resid 141  and name HG12))
      6.000     4.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.25350E-02 ppm1      0.825 ppm2      1.484 CV     1
 ASSI { 2460}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 240  and name HB2 ))
      6.000     4.500     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.47964E-02 ppm1     -0.085 ppm2      1.484 CV     1
 ASSI { 2461}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 183  and name HG11))
      6.000     4.500     0.000 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.12399E-01 ppm1      0.987 ppm2      1.489 CV     1
 OR { 2461}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 183  and name HG12))
 ASSI { 2462}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 240  and name HB2 ))
      6.000     4.500     0.000 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.42970E-02 ppm1      0.083 ppm2      1.484 CV     1
 ASSI { 2463}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 250  and name HG2 ))
      6.000     4.500     0.000 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.31998E-02 ppm1      0.779 ppm2      1.481 CV     1
 OR { 2463}
   (  segid "   A" and resid 162  and name HG2%)
   (  segid "   A" and resid 166  and name HB% )
 ASSI { 2464}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 141  and name HG12))
      6.000     4.500     0.000 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.83821E-02 ppm1      0.534 ppm2      1.493 CV     1
 ASSI { 2465}
   (( segid "   A" and resid 198  and name HA  ))
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.18010E-02 ppm1      3.549 ppm2      1.457 CV     1
 ASSI { 2466}
   (( segid "   A" and resid 163  and name HA  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.15685E-02 ppm1      4.140 ppm2      1.460 CV     1
 ASSI { 2468}
   (( segid "   A" and resid 112  and name HA  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.27587E-02 ppm1      4.150 ppm2      1.457 CV     1
 ASSI { 2470}
   (( segid "   A" and resid 287  and name HA  ))
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.90329E-03 ppm1      4.643 ppm2      1.449 CV     1
 ASSI { 2473}
   (( segid "   A" and resid 288  and name HD1 ))
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.71238E-03 ppm1      3.511 ppm2      1.460 CV     1
 ASSI { 2475}
   (( segid "   A" and resid 250  and name HE1 ))
   (( segid "   A" and resid 250  and name HG2 ))
      6.000     4.500     0.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.23177E-01 ppm1      2.984 ppm2      1.470 CV     1
 OR { 2475}
   (( segid "   A" and resid 184  and name HE2 ))
   (( segid "   A" and resid 184  and name HG1 ))
 OR { 2475}
   (( segid "   A" and resid 184  and name HE1 ))
   (( segid "   A" and resid 184  and name HG1 ))
 ASSI { 2477}
   (( segid "   A" and resid 132  and name HB1 ))
   (  segid "   A" and resid 131  and name HB% )
      6.000     4.500     0.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.51899E-03 ppm1      2.842 ppm2      1.448 CV     1
 OR { 2477}
   (( segid "   A" and resid 132  and name HB1 ))
   (( segid "   A" and resid 158  and name HB  ))
 ASSI { 2479}
   (( segid "   A" and resid 114  and name HB  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.18485E-02 ppm1      2.093 ppm2      1.445 CV     1
 ASSI { 2480}
   (( segid "   A" and resid 200  and name HG1 ))
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.10853E-02 ppm1      2.544 ppm2      1.459 CV     1
 OR { 2480}
   (( segid "   A" and resid 130  and name HG2 ))
   (  segid "   A" and resid 131  and name HB% )
 OR { 2480}
   (( segid "   A" and resid 200  and name HG1 ))
   (( segid "   A" and resid 197  and name HG12))
 ASSI { 2481}
   (( segid "   A" and resid 112  and name HB1 ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.67401E-03 ppm1      3.565 ppm2      1.455 CV     1
 ASSI { 2482}
   (( segid "   A" and resid 193  and name HB1 ))
   (  segid "   A" and resid 194  and name HB% )
      6.000     4.500     0.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.49997E-02 ppm1      2.160 ppm2      1.447 CV     1
 OR { 2482}
   (( segid "   A" and resid 130  and name HB2 ))
   (  segid "   A" and resid 131  and name HB% )
 OR { 2482}
   (( segid "   A" and resid 130  and name HB1 ))
   (  segid "   A" and resid 131  and name HB% )
 ASSI { 2483}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.57618E-02 ppm1      0.788 ppm2      1.458 CV     1
 ASSI { 2484}
   (  segid "   A" and resid 114  and name HG2%)
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.16031E-01 ppm1      0.923 ppm2      1.446 CV     1
 ASSI { 2485}
   (  segid "   A" and resid 165  and name HB% )
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.17783E-02 ppm1      0.647 ppm2      1.469 CV     1
 ASSI { 2486}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 197  and name HG12))
      6.000     4.500     0.000 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.23209E-01 ppm1      0.876 ppm2      1.468 CV     1
 ASSI { 2487}
   (  segid "   A" and resid 111  and name HE% )
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.55650E-02 ppm1      1.964 ppm2      1.465 CV     1
 OR { 2487}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 201  and name HB1 ))
 OR { 2487}
   (  segid "   A" and resid 111  and name HE% )
   (  segid "   A" and resid 107  and name HB% )
 ASSI { 2488}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.41413E-02 ppm1      0.923 ppm2      1.458 CV     1
 OR { 2488}
   (  segid "   A" and resid 198  and name HG2%)
   (  segid "   A" and resid 194  and name HB% )
 ASSI { 2489}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 197  and name HG12))
      6.000     4.500     0.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.25469E-01 ppm1      0.786 ppm2      1.462 CV     1
 ASSI { 2490}
   (( segid "   A" and resid 287  and name HB  ))
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.69963E-03 ppm1      4.198 ppm2      1.430 CV     1
 ASSI { 2491}
   (( segid "   A" and resid 110  and name HA  ))
   (  segid "   A" and resid 109  and name HB% )
      6.000     4.500     0.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.22766E-02 ppm1      3.673 ppm2      1.435 CV     1
 ASSI { 2493}
   (( segid "   A" and resid 132  and name HA  ))
   (  segid "   A" and resid 131  and name HB% )
      6.000     4.500     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.12518E-02 ppm1      4.728 ppm2      1.431 CV     1
 OR { 2493}
   (( segid "   A" and resid 114  and name HA  ))
   (  segid "   A" and resid 166  and name HB% )
 ASSI { 2494}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 275  and name HB1 ))
      6.000     4.500     0.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.13859E-02 ppm1      3.870 ppm2      1.441 CV     1
 OR { 2494}
   (( segid "   A" and resid 135  and name HA  ))
   (  segid "   A" and resid 166  and name HB% )
 ASSI { 2495}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.60374E-03 ppm1      5.121 ppm2      1.435 CV     1
 ASSI { 2502}
   (( segid "   A" and resid 191  and name HB  ))
   (( segid "   A" and resid 191  and name HG12))
      6.000     4.500     0.000 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.41240E-02 ppm1      1.880 ppm2      1.431 CV     1
 ASSI { 2503}
   (( segid "   A" and resid 184  and name HB2 ))
   (( segid "   A" and resid 184  and name HG1 ))
      6.000     4.500     0.000 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.42138E-02 ppm1      1.737 ppm2      1.441 CV     1
 ASSI { 2504}
   (( segid "   A" and resid 162  and name HB  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.64363E-03 ppm1      2.200 ppm2      1.441 CV     1
 ASSI { 2505}
   (( segid "   A" and resid 193  and name HG1 ))
   (  segid "   A" and resid 194  and name HB% )
      6.000     4.500     0.000 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.45521E-02 ppm1      2.411 ppm2      1.443 CV     1
 OR { 2505}
   (( segid "   A" and resid 193  and name HG2 ))
   (  segid "   A" and resid 194  and name HB% )
 OR { 2505}
   (( segid "   A" and resid 130  and name HG1 ))
   (  segid "   A" and resid 131  and name HB% )
 ASSI { 2506}
   (( segid "   A" and resid 264  and name HG1 ))
   (  segid "   A" and resid 260  and name HB% )
      6.000     4.500     0.000 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.30928E-02 ppm1      2.368 ppm2      1.432 CV     1
 OR { 2506}
   (( segid "   A" and resid 195  and name HG1 ))
   (( segid "   A" and resid 191  and name HG12))
 OR { 2506}
   (( segid "   A" and resid 264  and name HG2 ))
   (  segid "   A" and resid 260  and name HB% )
 OR { 2506}
   (( segid "   A" and resid 195  and name HG1 ))
   (  segid "   A" and resid 194  and name HB% )
 OR { 2506}
   (( segid "   A" and resid 195  and name HG2 ))
   (  segid "   A" and resid 194  and name HB% )
 OR { 2506}
   (( segid "   A" and resid 200  and name HG2 ))
   (( segid "   A" and resid 201  and name HB1 ))
 ASSI { 2508}
   (( segid "   A" and resid 110  and name HG12))
   (  segid "   A" and resid 109  and name HB% )
      6.000     4.500     0.000 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      1.034 ppm2      1.434 CV     1
 ASSI { 2509}
   (( segid "   A" and resid 191  and name HG11))
   (( segid "   A" and resid 191  and name HG12))
      6.000     4.500     0.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.95940E-02 ppm1      1.240 ppm2      1.424 CV     1
 ASSI { 2510}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 275  and name HB1 ))
      6.000     4.500     0.000 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.26571E-02 ppm1      0.692 ppm2      1.443 CV     1
 ASSI { 2511}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 158  and name HB  ))
      6.000     4.500     0.000 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.67055E-02 ppm1      0.130 ppm2      1.438 CV     1
 ASSI { 2512}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 158  and name HB  ))
      6.000     4.500     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.17318E-01 ppm1      0.886 ppm2      1.437 CV     1
 ASSI { 2513}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 158  and name HB  ))
      6.000     4.500     0.000 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.68233E-02 ppm1      0.030 ppm2      1.438 CV     1
 ASSI { 2514}
   (  segid "   A" and resid 110  and name HG2%)
   (  segid "   A" and resid 109  and name HB% )
      6.000     4.500     0.000 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.12561E-01 ppm1      0.838 ppm2      1.433 CV     1
 ASSI { 2515}
   (  segid "   A" and resid 191  and name HD1%)
   (( segid "   A" and resid 191  and name HG12))
      6.000     4.500     0.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.17783E-01 ppm1      0.847 ppm2      1.427 CV     1
 ASSI { 2516}
   (( segid "   A" and resid 161  and name HA  ))
   (( segid "   A" and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.16604E-02 ppm1      4.202 ppm2      1.402 CV     1
 ASSI { 2517}
   (( segid "   A" and resid 173  and name HA  ))
   (  segid "   A" and resid 173  and name HE% )
      6.000     4.500     0.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.17458E-02 ppm1      5.030 ppm2      1.413 CV     1
 OR { 2517}
   (( segid "   A" and resid 159  and name HA  ))
   (( segid "   A" and resid 113  and name HG1 ))
 ASSI { 2519}
   (( segid "   A" and resid 209  and name HA  ))
   (  segid "   A" and resid 260  and name HB% )
      6.000     4.500     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.69768E-03 ppm1      4.874 ppm2      1.405 CV     1
 ASSI { 2520}
   (( segid "   A" and resid 113  and name HD2 ))
   (( segid "   A" and resid 113  and name HG1 ))
      6.000     4.500     0.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.27241E-02 ppm1      3.072 ppm2      1.396 CV     1
 ASSI { 2521}
   (( segid "   A" and resid 113  and name HD1 ))
   (( segid "   A" and resid 113  and name HG1 ))
      6.000     4.500     0.000 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.22874E-02 ppm1      2.902 ppm2      1.393 CV     1
 ASSI { 2522}
   (( segid "   A" and resid 209  and name HB1 ))
   (  segid "   A" and resid 260  and name HB% )
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.78806E-03 ppm1      2.650 ppm2      1.413 CV     1
 ASSI { 2523}
   (( segid "   A" and resid 184  and name HB1 ))
   (( segid "   A" and resid 184  and name HG1 ))
      6.000     4.500     0.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.51488E-02 ppm1      1.595 ppm2      1.432 CV     1
 ASSI { 2525}
   (  segid "   A" and resid 176  and name HG1%)
   (  segid "   A" and resid 173  and name HE% )
      6.000     4.500     0.000 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.12691E-01 ppm1      1.015 ppm2      1.391 CV     1
 OR { 2525}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 173  and name HE% )
 ASSI { 2526}
   (( segid "   A" and resid 149  and name HB  ))
   (( segid "   A" and resid 151  and name HD1 ))
      6.000     4.500     0.000 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.18258E-02 ppm1      4.111 ppm2      1.369 CV     1
 OR { 2526}
   (( segid "   A" and resid 149  and name HB  ))
   (( segid "   A" and resid 151  and name HB1 ))
 ASSI { 2527}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 139  and name HG2 ))
      6.000     4.500     0.000 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.13545E-02 ppm1      3.737 ppm2      1.369 CV     1
 ASSI { 2528}
   (( segid "   A" and resid 139  and name HA  ))
   (( segid "   A" and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.92491E-02 ppm1      4.306 ppm2      1.385 CV     1
 OR { 2528}
   (( segid "   A" and resid 139  and name HA  ))
   (( segid "   A" and resid 139  and name HG2 ))
 ASSI { 2529}
   (( segid "   A" and resid 184  and name HA  ))
   (( segid "   A" and resid 184  and name HG2 ))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.28225E-02 ppm1      4.953 ppm2      1.384 CV     1
 ASSI { 2530}
   (( segid "   A" and resid 247  and name HA1 ))
   (( segid "   A" and resid 248  and name HG2 ))
      6.000     4.500     0.000 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.66914E-03 ppm1      4.218 ppm2      1.363 CV     1
 OR { 2530}
   (( segid "   A" and resid 247  and name HA1 ))
   (( segid "   A" and resid 248  and name HG1 ))
 ASSI { 2535}
   (( segid "   A" and resid 184  and name HB2 ))
   (( segid "   A" and resid 184  and name HG2 ))
      6.000     4.500     0.000 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.41132E-02 ppm1      1.739 ppm2      1.371 CV     1
 ASSI { 2536}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HG1 ))
      6.000     4.500     0.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.82038E-02 ppm1      1.510 ppm2      1.364 CV     1
 OR { 2536}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HG2 ))
 OR { 2536}
   (( segid "   A" and resid 139  and name HB2 ))
   (( segid "   A" and resid 139  and name HG2 ))
 ASSI { 2537}
   (( segid "   A" and resid 234  and name HB1 ))
   (( segid "   A" and resid 234  and name HG1 ))
      6.000     4.500     0.000 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.76146E-02 ppm1      1.785 ppm2      1.382 CV     1
 OR { 2537}
   (( segid "   A" and resid 234  and name HB2 ))
   (( segid "   A" and resid 234  and name HG1 ))
 ASSI { 2538}
   (( segid "   A" and resid 173  and name HB2 ))
   (  segid "   A" and resid 173  and name HE% )
      6.000     4.500     0.000 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.10561E-02 ppm1      2.144 ppm2      1.378 CV     1
 ASSI { 2539}
   (( segid "   A" and resid 137  and name HG1 ))
   (( segid "   A" and resid 250  and name HB1 ))
      6.000     4.500     0.000 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.98102E-03 ppm1      2.301 ppm2      1.372 CV     1
 OR { 2539}
   (( segid "   A" and resid 137  and name HG1 ))
   (( segid "   A" and resid 250  and name HG1 ))
 ASSI { 2541}
   (( segid "   A" and resid 151  and name HG1 ))
   (( segid "   A" and resid 151  and name HB1 ))
      6.000     4.500     0.000 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.78708E-02 ppm1      1.208 ppm2      1.365 CV     1
 OR { 2541}
   (( segid "   A" and resid 151  and name HG1 ))
   (( segid "   A" and resid 151  and name HD1 ))
 OR { 2541}
   (( segid "   A" and resid 151  and name HG2 ))
   (( segid "   A" and resid 151  and name HD1 ))
 ASSI { 2542}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 280  and name HB1 ))
      6.000     4.500     0.000 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.13113E-01 ppm1      0.987 ppm2      1.372 CV     1
 OR { 2542}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 173  and name HE% )
 OR { 2542}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 184  and name HG2 ))
 ASSI { 2543}
   (  segid "   A" and resid 176  and name HG1%)
   (  segid "   A" and resid 173  and name HE% )
      6.000     4.500     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.12464E-01 ppm1      0.998 ppm2      1.384 CV     1
 OR { 2543}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 173  and name HE% )
 OR { 2543}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 184  and name HG2 ))
 ASSI { 2544}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 248  and name HG1 ))
      6.000     4.500     0.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.26214E-02 ppm1      4.266 ppm2      1.351 CV     1
 OR { 2544}
   (( segid "   A" and resid 246  and name HB  ))
   (( segid "   A" and resid 248  and name HG2 ))
 ASSI { 2545}
   (( segid "   A" and resid 246  and name HA  ))
   (( segid "   A" and resid 248  and name HG1 ))
      6.000     4.500     0.000 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.15188E-02 ppm1      4.426 ppm2      1.354 CV     1
 OR { 2545}
   (( segid "   A" and resid 246  and name HA  ))
   (( segid "   A" and resid 248  and name HG2 ))
 ASSI { 2547}
   (( segid "   A" and resid 258  and name HA  ))
   (( segid "   A" and resid 236  and name HG1 ))
      6.000     4.500     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.22204E-02 ppm1      4.077 ppm2      1.345 CV     1
 OR { 2547}
   (( segid "   A" and resid 258  and name HA  ))
   (( segid "   A" and resid 236  and name HG2 ))
 ASSI { 2548}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 236  and name HG2 ))
      6.000     4.500     0.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.55585E-03 ppm1      4.856 ppm2      1.341 CV     1
 OR { 2548}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 236  and name HG1 ))
 ASSI { 2549}
   (( segid "   A" and resid 170  and name HA  ))
   (  segid "   A" and resid 169  and name HB% )
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.70060E-03 ppm1      3.717 ppm2      1.358 CV     1
 ASSI { 2550}
   (( segid "   A" and resid 248  and name HA  ))
   (( segid "   A" and resid 248  and name HG2 ))
      6.000     4.500     0.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.85151E-02 ppm1      4.418 ppm2      1.356 CV     1
 OR { 2550}
   (( segid "   A" and resid 248  and name HA  ))
   (( segid "   A" and resid 248  and name HG1 ))
 ASSI { 2555}
   (( segid "   A" and resid 242  and name HD2 ))
   (( segid "   A" and resid 242  and name HG2 ))
      6.000     4.500     0.000 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.49683E-02 ppm1      3.022 ppm2      1.350 CV     1
 OR { 2555}
   (( segid "   A" and resid 242  and name HD2 ))
   (( segid "   A" and resid 242  and name HB2 ))
 ASSI { 2556}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 250  and name HG1 ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.54472E-03 ppm1      2.411 ppm2      1.355 CV     1
 OR { 2556}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 242  and name HB2 ))
 ASSI { 2558}
   (( segid "   A" and resid 151  and name HE2 ))
   (( segid "   A" and resid 151  and name HD1 ))
      6.000     4.500     0.000 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.10062E-01 ppm1      2.736 ppm2      1.354 CV     1
 OR { 2558}
   (( segid "   A" and resid 151  and name HE1 ))
   (( segid "   A" and resid 151  and name HD1 ))
 ASSI { 2559}
   (( segid "   A" and resid 273  and name HB2 ))
   (( segid "   A" and resid 280  and name HB1 ))
      6.000     4.500     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.23144E-01 ppm1      2.951 ppm2      1.345 CV     1
 OR { 2559}
   (( segid "   A" and resid 250  and name HE2 ))
   (( segid "   A" and resid 250  and name HG1 ))
 ASSI { 2560}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 226  and name HG2 ))
      6.000     4.500     0.000 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.46862E-02 ppm1      2.841 ppm2      1.336 CV     1
 OR { 2560}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 226  and name HG2 ))
 ASSI { 2561}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 226  and name HG2 ))
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.11848E-02 ppm1      2.556 ppm2      1.342 CV     1
 OR { 2561}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 226  and name HG2 ))
 ASSI { 2562}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 236  and name HG1 ))
      6.000     4.500     0.000 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.36852E-02 ppm1      2.209 ppm2      1.353 CV     1
 OR { 2562}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 236  and name HG2 ))
 OR { 2562}
   (( segid "   A" and resid 256  and name HG1 ))
   (( segid "   A" and resid 236  and name HG2 ))
 OR { 2562}
   (( segid "   A" and resid 256  and name HG1 ))
   (( segid "   A" and resid 236  and name HG1 ))
 ASSI { 2563}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 236  and name HG1 ))
      6.000     4.500     0.000 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.28690E-02 ppm1      2.112 ppm2      1.351 CV     1
 OR { 2563}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 236  and name HG2 ))
 ASSI { 2564}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HG1 ))
      6.000     4.500     0.000 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.87378E-02 ppm1      1.500 ppm2      1.351 CV     1
 OR { 2564}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HG2 ))
 OR { 2564}
   (( segid "   A" and resid 139  and name HB2 ))
   (( segid "   A" and resid 139  and name HG2 ))
 ASSI { 2565}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 236  and name HG2 ))
      6.000     4.500     0.000 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.71368E-02 ppm1      1.691 ppm2      1.343 CV     1
 OR { 2565}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 236  and name HG1 ))
 ASSI { 2566}
   (( segid "   A" and resid 226  and name HB2 ))
   (( segid "   A" and resid 226  and name HG2 ))
      6.000     4.500     0.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.12832E-02 ppm1      1.975 ppm2      1.361 CV     1
 OR { 2566}
   (( segid "   A" and resid 226  and name HB1 ))
   (( segid "   A" and resid 226  and name HG2 ))
 ASSI { 2568}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 236  and name HG1 ))
      6.000     4.500     0.000 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.24842E-02 ppm1      1.942 ppm2      1.362 CV     1
 OR { 2568}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 236  and name HG2 ))
 ASSI { 2569}
   (( segid "   A" and resid 250  and name HD2 ))
   (( segid "   A" and resid 250  and name HG1 ))
      6.000     4.500     0.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.44689E-02 ppm1      1.811 ppm2      1.359 CV     1
 OR { 2569}
   (( segid "   A" and resid 250  and name HD2 ))
   (( segid "   A" and resid 250  and name HB1 ))
 ASSI { 2571}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 280  and name HB1 ))
      6.000     4.500     0.000 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.39295E-02 ppm1      1.051 ppm2      1.360 CV     1
 ASSI { 2572}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 280  and name HB1 ))
      6.000     4.500     0.000 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.46970E-02 ppm1      0.869 ppm2      1.351 CV     1
 ASSI { 2573}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 250  and name HB1 ))
      6.000     4.500     0.000 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.47802E-02 ppm1      0.777 ppm2      1.341 CV     1
 OR { 2573}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 250  and name HG1 ))
 OR { 2573}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 242  and name HB2 ))
 ASSI { 2576}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 139  and name HG1 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.13502E-02 ppm1      3.736 ppm2      1.292 CV     1
 ASSI { 2580}
   (( segid "   A" and resid 130  and name HB2 ))
   (  segid "   A" and resid 127  and name HG2%)
      6.000     4.500     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.26766E-02 ppm1      2.165 ppm2      1.331 CV     1
 OR { 2580}
   (( segid "   A" and resid 130  and name HB1 ))
   (  segid "   A" and resid 127  and name HG2%)
 ASSI { 2581}
   (( segid "   A" and resid 197  and name HG12))
   (( segid "   A" and resid 197  and name HG11))
      6.000     4.500     0.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.10533E-01 ppm1      1.462 ppm2      1.312 CV     1
 ASSI { 2582}
   (  segid "   A" and resid 123  and name HD2%)
   (  segid "   A" and resid 127  and name HG2%)
      6.000     4.500     0.000 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.97312E-02 ppm1      0.950 ppm2      1.334 CV     1
 ASSI { 2583}
   (  segid "   A" and resid 123  and name HD1%)
   (  segid "   A" and resid 127  and name HG2%)
      6.000     4.500     0.000 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.18410E-01 ppm1      0.927 ppm2      1.333 CV     1
 OR { 2583}
   (  segid "   A" and resid 114  and name HG2%)
   (  segid "   A" and resid 169  and name HB% )
 ASSI { 2584}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 226  and name HG2 ))
      6.000     4.500     0.000 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.25393E-02 ppm1      0.572 ppm2      1.335 CV     1
 ASSI { 2585}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 226  and name HG2 ))
      6.000     4.500     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.26377E-02 ppm1      0.679 ppm2      1.316 CV     1
 ASSI { 2586}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 197  and name HG11))
      6.000     4.500     0.000 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.14540E-01 ppm1      0.786 ppm2      1.314 CV     1
 ASSI { 2588}
   (( segid "   A" and resid 251  and name HA1 ))
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.77433E-03 ppm1      4.141 ppm2      1.289 CV     1
 ASSI { 2589}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 220  and name HB2 ))
      6.000     4.500     0.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.38570E-02 ppm1      0.693 ppm2      1.282 CV     1
 ASSI { 2590}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.63985E-02 ppm1      0.672 ppm2      1.284 CV     1
 ASSI { 2591}
   (  segid "   A" and resid 165  and name HB% )
   (  segid "   A" and resid 214  and name HB% )
      6.000     4.500     0.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.99907E-03 ppm1      0.651 ppm2      1.289 CV     1
 ASSI { 2592}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 197  and name HG11))
      6.000     4.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.81930E-02 ppm1      0.880 ppm2      1.302 CV     1
 ASSI { 2593}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.99496E-03 ppm1      4.172 ppm2      1.256 CV     1
 OR { 2593}
   (( segid "   A" and resid 215  and name HB2 ))
   (  segid "   A" and resid 214  and name HB% )
 ASSI { 2595}
   (( segid "   A" and resid 135  and name HA  ))
   (  segid "   A" and resid 214  and name HB% )
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.20291E-02 ppm1      3.859 ppm2      1.262 CV     1
 ASSI { 2596}
   (( segid "   A" and resid 218  and name HA  ))
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.54894E-03 ppm1      3.632 ppm2      1.261 CV     1
 OR { 2596}
   (( segid "   A" and resid 218  and name HA  ))
   (( segid "   A" and resid 220  and name HB2 ))
 ASSI { 2597}
   (( segid "   A" and resid 230  and name HA  ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.59542E-03 ppm1      5.047 ppm2      1.259 CV     1
 ASSI { 2600}
   (( segid "   A" and resid 155  and name HA  ))
   (  segid "   A" and resid 143  and name HE% )
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.60818E-03 ppm1      5.539 ppm2      1.260 CV     1
 ASSI { 2602}
   (( segid "   A" and resid 251  and name HA2 ))
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.75854E-03 ppm1      4.306 ppm2      1.267 CV     1
 ASSI { 2603}
   (( segid "   A" and resid 124  and name HA2 ))
   (  segid "   A" and resid 143  and name HE% )
      6.000     4.500     0.000 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.49402E-03 ppm1      4.514 ppm2      1.264 CV     1
 ASSI { 2607}
   (( segid "   A" and resid 232  and name HB1 ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.64255E-03 ppm1      3.432 ppm2      1.255 CV     1
 ASSI { 2608}
   (( segid "   A" and resid 143  and name HG1 ))
   (  segid "   A" and resid 143  and name HE% )
      6.000     4.500     0.000 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.20009E-02 ppm1      2.329 ppm2      1.265 CV     1
 ASSI { 2609}
   (( segid "   A" and resid 143  and name HG2 ))
   (  segid "   A" and resid 143  and name HE% )
      6.000     4.500     0.000 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.18928E-02 ppm1      2.226 ppm2      1.273 CV     1
 ASSI { 2610}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 220  and name HB2 ))
      6.000     4.500     0.000 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.34571E-02 ppm1      0.904 ppm2      1.276 CV     1
 ASSI { 2611}
   (  segid "   A" and resid 168  and name HD2%)
   (  segid "   A" and resid 214  and name HB% )
      6.000     4.500     0.000 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.42970E-02 ppm1      1.015 ppm2      1.261 CV     1
 OR { 2611}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 216  and name HB  ))
 ASSI { 2612}
   (  segid "   A" and resid 156  and name HB% )
   (  segid "   A" and resid 143  and name HE% )
      6.000     4.500     0.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.43857E-02 ppm1      0.860 ppm2      1.274 CV     1
 ASSI { 2613}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.82265E-02 ppm1      0.371 ppm2      1.272 CV     1
 ASSI { 2614}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.24009E-02 ppm1      0.084 ppm2      1.267 CV     1
 ASSI { 2615}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 220  and name HB2 ))
      6.000     4.500     0.000 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.31598E-02 ppm1      0.632 ppm2      1.262 CV     1
 OR { 2615}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 216  and name HB  ))
 ASSI { 2616}
   (( segid "   A" and resid 245  and name HB  ))
   (  segid "   A" and resid 245  and name HG2%)
      6.000     4.500     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.16410E-01 ppm1      4.268 ppm2      1.227 CV     1
 ASSI { 2617}
   (( segid "   A" and resid 245  and name HA  ))
   (  segid "   A" and resid 245  and name HG2%)
      6.000     4.500     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.75595E-02 ppm1      4.206 ppm2      1.232 CV     1
 ASSI { 2618}
   (( segid "   A" and resid 263  and name HB1 ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.87821E-03 ppm1      3.800 ppm2      1.240 CV     1
 OR { 2618}
   (( segid "   A" and resid 263  and name HB1 ))
   (( segid "   A" and resid 211  and name HG12))
 ASSI { 2621}
   (( segid "   A" and resid 282  and name HA  ))
   (( segid "   A" and resid 213  and name HB  ))
      6.000     4.500     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.53921E-03 ppm1      5.371 ppm2      1.227 CV     1
 ASSI { 2622}
   (( segid "   A" and resid 211  and name HA  ))
   (( segid "   A" and resid 211  and name HG12))
      6.000     4.500     0.000 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.59477E-03 ppm1      5.093 ppm2      1.242 CV     1
 ASSI { 2623}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 255  and name HB  ))
      6.000     4.500     0.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.67012E-03 ppm1      5.731 ppm2      1.232 CV     1
 OR { 2623}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 213  and name HB  ))
 OR { 2623}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 211  and name HG12))
 ASSI { 2624}
   (( segid "   A" and resid 244  and name HD1 ))
   (  segid "   A" and resid 245  and name HG2%)
      6.000     4.500     0.000 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.57315E-03 ppm1      4.005 ppm2      1.242 CV     1
 ASSI { 2626}
   (( segid "   A" and resid 211  and name HB  ))
   (( segid "   A" and resid 211  and name HG12))
      6.000     4.500     0.000 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.74092E-03 ppm1      1.989 ppm2      1.234 CV     1
 ASSI { 2627}
   (( segid "   A" and resid 265  and name HB1 ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.62785E-03 ppm1      2.734 ppm2      1.230 CV     1
 OR { 2627}
   (( segid "   A" and resid 265  and name HB2 ))
   (  segid "   A" and resid 266  and name HB% )
 ASSI { 2629}
   (( segid "   A" and resid 191  and name HB  ))
   (( segid "   A" and resid 191  and name HG11))
      6.000     4.500     0.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.21480E-02 ppm1      1.878 ppm2      1.239 CV     1
 ASSI { 2630}
   (( segid "   A" and resid 255  and name HG12))
   (( segid "   A" and resid 255  and name HB  ))
      6.000     4.500     0.000 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.50234E-03 ppm1      0.587 ppm2      1.230 CV     1
 ASSI { 2631}
   (( segid "   A" and resid 119  and name HG12))
   (( segid "   A" and resid 119  and name HG11))
      6.000     4.500     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.75271E-03 ppm1      0.420 ppm2      1.228 CV     1
 ASSI { 2632}
   (( segid "   A" and resid 244  and name HG2 ))
   (  segid "   A" and resid 245  and name HG2%)
      6.000     4.500     0.000 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.16799E-02 ppm1      2.069 ppm2      1.234 CV     1
 ASSI { 2633}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 213  and name HB  ))
      6.000     4.500     0.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.14053E-01 ppm1      0.342 ppm2      1.230 CV     1
 ASSI { 2634}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 213  and name HB  ))
      6.000     4.500     0.000 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.13037E-01 ppm1      0.404 ppm2      1.228 CV     1
 ASSI { 2635}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 211  and name HG12))
      6.000     4.500     0.000 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.82481E-02 ppm1      0.955 ppm2      1.241 CV     1
 ASSI { 2636}
   (  segid "   A" and resid 191  and name HG2%)
   (( segid "   A" and resid 191  and name HG11))
      6.000     4.500     0.000 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.13783E-01 ppm1      0.899 ppm2      1.241 CV     1
 ASSI { 2637}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 213  and name HB  ))
      6.000     4.500     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.34625E-02 ppm1      0.614 ppm2      1.229 CV     1
 OR { 2637}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 255  and name HB  ))
 ASSI { 2638}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 255  and name HB  ))
      6.000     4.500     0.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.51013E-02 ppm1      0.218 ppm2      1.231 CV     1
 ASSI { 2640}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 211  and name HG12))
      6.000     4.500     0.000 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.10875E-01 ppm1      0.737 ppm2      1.243 CV     1
 ASSI { 2641}
   (  segid "   A" and resid 191  and name HD1%)
   (( segid "   A" and resid 191  and name HG11))
      6.000     4.500     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.10502E-01 ppm1      0.843 ppm2      1.237 CV     1
 ASSI { 2642}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 255  and name HB  ))
      6.000     4.500     0.000 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.58169E-02 ppm1     -0.126 ppm2      1.232 CV     1
 ASSI { 2645}
   (( segid "   A" and resid 210  and name HA  ))
   (( segid "   A" and resid 211  and name HG12))
      6.000     4.500     0.000 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.55726E-03 ppm1      5.736 ppm2      1.214 CV     1
 OR { 2645}
   (( segid "   A" and resid 210  and name HA  ))
   (( segid "   A" and resid 255  and name HB  ))
 ASSI { 2646}
   (( segid "   A" and resid 151  and name HA  ))
   (( segid "   A" and resid 151  and name HG1 ))
      6.000     4.500     0.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      4.587 ppm2      1.218 CV     1
 OR { 2646}
   (( segid "   A" and resid 151  and name HA  ))
   (( segid "   A" and resid 151  and name HG2 ))
 ASSI { 2647}
   (( segid "   A" and resid 243  and name HB2 ))
   (  segid "   A" and resid 245  and name HG2%)
      6.000     4.500     0.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.48916E-03 ppm1      2.401 ppm2      1.203 CV     1
 OR { 2647}
   (( segid "   A" and resid 243  and name HB2 ))
   (  segid "   A" and resid 246  and name HG2%)
 ASSI { 2648}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 226  and name HG1 ))
      6.000     4.500     0.000 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.82535E-03 ppm1      2.544 ppm2      1.203 CV     1
 OR { 2648}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 226  and name HG1 ))
 ASSI { 2649}
   (( segid "   A" and resid 128  and name HB  ))
   (( segid "   A" and resid 128  and name HG11))
      6.000     4.500     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.20366E-02 ppm1      2.008 ppm2      1.202 CV     1
 OR { 2649}
   (( segid "   A" and resid 128  and name HB  ))
   (( segid "   A" and resid 128  and name HG12))
 ASSI { 2650}
   (( segid "   A" and resid 151  and name HB2 ))
   (( segid "   A" and resid 151  and name HG2 ))
      6.000     4.500     0.000 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.25782E-02 ppm1      1.647 ppm2      1.214 CV     1
 OR { 2650}
   (( segid "   A" and resid 151  and name HB2 ))
   (( segid "   A" and resid 151  and name HG1 ))
 ASSI { 2651}
   (( segid "   A" and resid 151  and name HB1 ))
   (( segid "   A" and resid 151  and name HG1 ))
      6.000     4.500     0.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.30376E-02 ppm1      1.394 ppm2      1.216 CV     1
 OR { 2651}
   (( segid "   A" and resid 151  and name HB1 ))
   (( segid "   A" and resid 151  and name HG2 ))
 ASSI { 2652}
   (( segid "   A" and resid 255  and name HG11))
   (( segid "   A" and resid 255  and name HB  ))
      6.000     4.500     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.11015E-02 ppm1      1.057 ppm2      1.216 CV     1
 ASSI { 2653}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 119  and name HG11))
      6.000     4.500     0.000 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.64461E-02 ppm1      0.691 ppm2      1.211 CV     1
 ASSI { 2654}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 226  and name HG1 ))
      6.000     4.500     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.27512E-02 ppm1      0.573 ppm2      1.199 CV     1
 ASSI { 2655}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 128  and name HG12))
      6.000     4.500     0.000 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.71368E-02 ppm1      0.535 ppm2      1.201 CV     1
 OR { 2655}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 128  and name HG11))
 ASSI { 2656}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 198  and name HG11))
      6.000     4.500     0.000 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.55337E-02 ppm1      0.921 ppm2      1.216 CV     1
 ASSI { 2657}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 226  and name HG1 ))
      6.000     4.500     0.000 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.31522E-02 ppm1      0.680 ppm2      1.208 CV     1
 ASSI { 2658}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 119  and name HG11))
      6.000     4.500     0.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.59585E-02 ppm1      0.240 ppm2      1.214 CV     1
 ASSI { 2659}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 198  and name HG11))
      6.000     4.500     0.000 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.96275E-02 ppm1      0.726 ppm2      1.223 CV     1
 ASSI { 2660}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 128  and name HG12))
      6.000     4.500     0.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.11859E-01 ppm1      0.485 ppm2      1.210 CV     1
 OR { 2660}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 128  and name HG11))
 ASSI { 2662}
   (( segid "   A" and resid 128  and name HA  ))
   (( segid "   A" and resid 128  and name HG12))
      6.000     4.500     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.16410E-02 ppm1      3.717 ppm2      1.197 CV     1
 OR { 2662}
   (( segid "   A" and resid 128  and name HA  ))
   (( segid "   A" and resid 128  and name HG11))
 ASSI { 2664}
   (( segid "   A" and resid 238  and name HA  ))
   (  segid "   A" and resid 239  and name HG2%)
      6.000     4.500     0.000 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.77335E-03 ppm1      4.779 ppm2      1.194 CV     1
 ASSI { 2665}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 226  and name HG1 ))
      6.000     4.500     0.000 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.45467E-02 ppm1      2.840 ppm2      1.188 CV     1
 OR { 2665}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 226  and name HG1 ))
 ASSI { 2669}
   (( segid "   A" and resid 206  and name HA  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.15599E-02 ppm1      4.196 ppm2      1.150 CV     1
 ASSI { 2670}
   (( segid "   A" and resid 238  and name HA  ))
   (  segid "   A" and resid 239  and name HG2%)
      6.000     4.500     0.000 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.66525E-03 ppm1      4.764 ppm2      1.149 CV     1
 ASSI { 2673}
   (( segid "   A" and resid 206  and name HD1 ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.10631E-02 ppm1      3.265 ppm2      1.152 CV     1
 OR { 2673}
   (( segid "   A" and resid 206  and name HD2 ))
   (  segid "   A" and resid 205  and name HB% )
 OR { 2673}
   (( segid "   A" and resid 206  and name HD2 ))
   (  segid "   A" and resid 207  and name HB% )
 ASSI { 2674}
   (( segid "   A" and resid 222  and name HB1 ))
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.67401E-03 ppm1      2.634 ppm2      1.156 CV     1
 ASSI { 2675}
   (( segid "   A" and resid 222  and name HB2 ))
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.65444E-03 ppm1      2.582 ppm2      1.150 CV     1
 ASSI { 2676}
   (( segid "   A" and resid 206  and name HB2 ))
   (  segid "   A" and resid 207  and name HB% )
      6.000     4.500     0.000 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.14561E-02 ppm1      1.980 ppm2      1.149 CV     1
 OR { 2676}
   (( segid "   A" and resid 206  and name HB2 ))
   (  segid "   A" and resid 205  and name HB% )
 OR { 2676}
   (( segid "   A" and resid 206  and name HB1 ))
   (  segid "   A" and resid 207  and name HB% )
 ASSI { 2677}
   (( segid "   A" and resid 288  and name HA  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      4.343 ppm2      1.127 CV     1
 ASSI { 2678}
   (( segid "   A" and resid 286  and name HA  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.20312E-02 ppm1      4.504 ppm2      1.138 CV     1
 ASSI { 2679}
   (( segid "   A" and resid 204  and name HA  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      4.050 ppm2      1.143 CV     1
 ASSI { 2680}
   (( segid "   A" and resid 120  and name HA  ))
   (( segid "   A" and resid 119  and name HB  ))
      6.000     4.500     0.000 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.73887E-03 ppm1      4.451 ppm2      1.119 CV     1
 ASSI { 2682}
   (( segid "   A" and resid 202  and name HA  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.48732E-02 ppm1      3.911 ppm2      1.141 CV     1
 ASSI { 2683}
   (( segid "   A" and resid 240  and name HB2 ))
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.11048E-02 ppm1      1.464 ppm2      1.119 CV     1
 ASSI { 2684}
   (( segid "   A" and resid 240  and name HB1 ))
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.72028E-03 ppm1      0.769 ppm2      1.126 CV     1
 ASSI { 2685}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.65088E-02 ppm1     -0.085 ppm2      1.127 CV     1
 ASSI { 2686}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.58645E-02 ppm1      0.083 ppm2      1.120 CV     1
 ASSI { 2687}
   (  segid "   A" and resid 285  and name HB% )
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.44635E-02 ppm1      1.514 ppm2      1.140 CV     1
 ASSI { 2688}
   (  segid "   A" and resid 202  and name HB% )
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.53142E-02 ppm1      1.558 ppm2      1.143 CV     1
 ASSI { 2690}
   (( segid "   A" and resid 149  and name HB  ))
   (  segid "   A" and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.10062E-01 ppm1      4.113 ppm2      1.112 CV     1
 ASSI { 2691}
   (( segid "   A" and resid 148  and name HA  ))
   (  segid "   A" and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.83227E-03 ppm1      3.881 ppm2      1.093 CV     1
 ASSI { 2694}
   (( segid "   A" and resid 288  and name HD1 ))
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.11480E-02 ppm1      3.537 ppm2      1.097 CV     1
 ASSI { 2695}
   (( segid "   A" and resid 288  and name HD2 ))
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      3.927 ppm2      1.109 CV     1
 ASSI { 2696}
   (( segid "   A" and resid 163  and name HA  ))
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.61607E-03 ppm1      4.127 ppm2      1.071 CV     1
 OR { 2696}
   (( segid "   A" and resid 163  and name HA  ))
   (  segid "   A" and resid 162  and name HG1%)
 ASSI { 2697}
   (( segid "   A" and resid 238  and name HA  ))
   (( segid "   A" and resid 255  and name HG11))
      6.000     4.500     0.000 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.74190E-03 ppm1      4.782 ppm2      1.074 CV     1
 ASSI { 2699}
   (( segid "   A" and resid 163  and name HD2 ))
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.99777E-03 ppm1      3.610 ppm2      1.064 CV     1
 ASSI { 2702}
   (( segid "   A" and resid 163  and name HB1 ))
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      1.698 ppm2      1.073 CV     1
 ASSI { 2703}
   (( segid "   A" and resid 148  and name HB  ))
   (  segid "   A" and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.27468E-02 ppm1      2.236 ppm2      1.081 CV     1
 OR { 2703}
   (( segid "   A" and resid 161  and name HB2 ))
   (  segid "   A" and resid 162  and name HG1%)
 ASSI { 2704}
   (( segid "   A" and resid 163  and name HG1 ))
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.22788E-02 ppm1      1.995 ppm2      1.082 CV     1
 ASSI { 2705}
   (( segid "   A" and resid 163  and name HG2 ))
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.25425E-02 ppm1      1.872 ppm2      1.071 CV     1
 ASSI { 2706}
   (  segid "   A" and resid 201  and name HD1%)
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.42354E-02 ppm1      0.791 ppm2      1.083 CV     1
 ASSI { 2708}
   (  segid "   A" and resid 286  and name HG2%)
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.96999E-02 ppm1      0.551 ppm2      1.080 CV     1
 ASSI { 2710}
   (( segid "   A" and resid 110  and name HA  ))
   (( segid "   A" and resid 110  and name HG12))
      6.000     4.500     0.000 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.29166E-02 ppm1      3.673 ppm2      1.035 CV     1
 ASSI { 2712}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 255  and name HG11))
      6.000     4.500     0.000 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.48635E-03 ppm1      5.737 ppm2      1.036 CV     1
 OR { 2712}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 211  and name HG11))
 ASSI { 2714}
   (( segid "   A" and resid 273  and name HB1 ))
   (  segid "   A" and resid 280  and name HD1%)
      6.000     4.500     0.000 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.60234E-03 ppm1      3.296 ppm2      1.046 CV     1
 ASSI { 2716}
   (( segid "   A" and resid 161  and name HG2 ))
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.11199E-02 ppm1      2.252 ppm2      1.053 CV     1
 OR { 2716}
   (( segid "   A" and resid 161  and name HG1 ))
   (  segid "   A" and resid 162  and name HG1%)
 ASSI { 2718}
   (( segid "   A" and resid 250  and name HD2 ))
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.85486E-03 ppm1      1.816 ppm2      1.036 CV     1
 OR { 2718}
   (( segid "   A" and resid 218  and name HB2 ))
   (  segid "   A" and resid 280  and name HD1%)
 OR { 2718}
   (( segid "   A" and resid 218  and name HB2 ))
   (  segid "   A" and resid 275  and name HD1%)
 ASSI { 2719}
   (( segid "   A" and resid 255  and name HG12))
   (( segid "   A" and resid 255  and name HG11))
      6.000     4.500     0.000 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.15426E-02 ppm1      0.569 ppm2      1.053 CV     1
 ASSI { 2721}
   (  segid "   A" and resid 165  and name HB% )
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.21231E-02 ppm1      0.647 ppm2      1.048 CV     1
 ASSI { 2722}
   (  segid "   A" and resid 162  and name HG2%)
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.22226E-01 ppm1      0.778 ppm2      1.056 CV     1
 ASSI { 2723}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 255  and name HG11))
      6.000     4.500     0.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.39684E-02 ppm1      0.219 ppm2      1.047 CV     1
 ASSI { 2724}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 255  and name HG11))
      6.000     4.500     0.000 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.68817E-02 ppm1     -0.126 ppm2      1.042 CV     1
 ASSI { 2726}
   (( segid "   A" and resid 173  and name HA  ))
   (  segid "   A" and resid 176  and name HG1%)
      6.000     4.500     0.000 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.38689E-02 ppm1      5.042 ppm2      1.014 CV     1
 ASSI { 2727}
   (( segid "   A" and resid 275  and name HB2 ))
   (  segid "   A" and resid 280  and name HD1%)
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.23793E-02 ppm1      2.102 ppm2      1.012 CV     1
 ASSI { 2728}
   (( segid "   A" and resid 275  and name HB1 ))
   (  segid "   A" and resid 280  and name HD1%)
      6.000     4.500     0.000 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.23090E-02 ppm1      1.454 ppm2      1.012 CV     1
 ASSI { 2729}
   (( segid "   A" and resid 280  and name HB2 ))
   (  segid "   A" and resid 280  and name HD1%)
      6.000     4.500     0.000 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.11837E-02 ppm1      2.261 ppm2      1.025 CV     1
 ASSI { 2734}
   (( segid "   A" and resid 225  and name HG12))
   (( segid "   A" and resid 225  and name HG11))
      6.000     4.500     0.000 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.51878E-02 ppm1      1.528 ppm2      1.017 CV     1
 ASSI { 2735}
   (( segid "   A" and resid 168  and name HG  ))
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.36073E-02 ppm1      1.895 ppm2      1.011 CV     1
 ASSI { 2736}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 225  and name HG11))
      6.000     4.500     0.000 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.93042E-02 ppm1      0.615 ppm2      1.021 CV     1
 ASSI { 2737}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 176  and name HG1%)
      6.000     4.500     0.000 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.14053E-01 ppm1      1.385 ppm2      1.007 CV     1
 OR { 2737}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 185  and name HG2%)
 OR { 2737}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 185  and name HG1%)
 ASSI { 2738}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 228  and name HG1%)
      6.000     4.500     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.89821E-02 ppm1      0.184 ppm2      1.010 CV     1
 OR { 2738}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 282  and name HG1%)
 OR { 2738}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 282  and name HG2%)
 ASSI { 2739}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 110  and name HG12))
      6.000     4.500     0.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.16788E-01 ppm1      0.729 ppm2      1.021 CV     1
 ASSI { 2741}
   (( segid "   A" and resid 282  and name HA  ))
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.73152E-02 ppm1      5.366 ppm2      0.988 CV     1
 OR { 2741}
   (( segid "   A" and resid 282  and name HA  ))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI { 2742}
   (( segid "   A" and resid 213  and name HA  ))
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      4.597 ppm2      0.982 CV     1
 OR { 2742}
   (( segid "   A" and resid 213  and name HA  ))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI { 2743}
   (( segid "   A" and resid 170  and name HA  ))
   (  segid "   A" and resid 185  and name HG1%)
      6.000     4.500     0.000 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.36408E-02 ppm1      3.743 ppm2      0.983 CV     1
 ASSI { 2744}
   (( segid "   A" and resid 174  and name HA  ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.48191E-02 ppm1      4.455 ppm2      0.992 CV     1
 OR { 2744}
   (( segid "   A" and resid 174  and name HA  ))
   (  segid "   A" and resid 185  and name HG1%)
 ASSI { 2745}
   (( segid "   A" and resid 169  and name HA  ))
   (  segid "   A" and resid 185  and name HG1%)
      6.000     4.500     0.000 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.13740E-02 ppm1      2.403 ppm2      0.981 CV     1
 OR { 2745}
   (( segid "   A" and resid 266  and name HA  ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2745}
   (( segid "   A" and resid 266  and name HA  ))
   (  segid "   A" and resid 282  and name HG2%)
 OR { 2745}
   (( segid "   A" and resid 266  and name HA  ))
   (  segid "   A" and resid 282  and name HG1%)
 OR { 2745}
   (( segid "   A" and resid 266  and name HA  ))
   (  segid "   A" and resid 267  and name HG2%)
 OR { 2745}
   (( segid "   A" and resid 169  and name HA  ))
   (  segid "   A" and resid 185  and name HG2%)
 ASSI { 2746}
   (( segid "   A" and resid 184  and name HA  ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.24561E-02 ppm1      4.950 ppm2      0.988 CV     1
 OR { 2746}
   (( segid "   A" and resid 270  and name HA  ))
   (  segid "   A" and resid 282  and name HG1%)
 OR { 2746}
   (( segid "   A" and resid 270  and name HA  ))
   (  segid "   A" and resid 282  and name HG2%)
 ASSI { 2748}
   (( segid "   A" and resid 174  and name HB2 ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.18453E-02 ppm1      2.960 ppm2      0.988 CV     1
 OR { 2748}
   (( segid "   A" and resid 174  and name HB2 ))
   (  segid "   A" and resid 185  and name HG1%)
 ASSI { 2749}
   (( segid "   A" and resid 174  and name HB1 ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.16096E-02 ppm1      2.859 ppm2      0.989 CV     1
 OR { 2749}
   (( segid "   A" and resid 174  and name HB1 ))
   (  segid "   A" and resid 185  and name HG1%)
 ASSI { 2750}
   (( segid "   A" and resid 282  and name HB  ))
   (  segid "   A" and resid 282  and name HG1%)
      6.000     4.500     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.69368E-02 ppm1      1.779 ppm2      0.988 CV     1
 OR { 2750}
   (( segid "   A" and resid 282  and name HB  ))
   (  segid "   A" and resid 282  and name HG2%)
 ASSI { 2752}
   (( segid "   A" and resid 213  and name HB  ))
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.24247E-02 ppm1      1.220 ppm2      0.993 CV     1
 OR { 2752}
   (( segid "   A" and resid 213  and name HB  ))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI { 2753}
   (( segid "   A" and resid 270  and name HG1 ))
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.69076E-03 ppm1      1.605 ppm2      0.988 CV     1
 OR { 2753}
   (( segid "   A" and resid 270  and name HG1 ))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI { 2754}
   (( segid "   A" and resid 284  and name HB2 ))
   (  segid "   A" and resid 267  and name HG2%)
      6.000     4.500     0.000 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.20096E-02 ppm1      1.985 ppm2      0.980 CV     1
 OR { 2754}
   (( segid "   A" and resid 284  and name HB2 ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2754}
   (( segid "   A" and resid 284  and name HB2 ))
   (  segid "   A" and resid 211  and name HG2%)
 OR { 2754}
   (( segid "   A" and resid 226  and name HB2 ))
   (  segid "   A" and resid 228  and name HG1%)
 OR { 2754}
   (( segid "   A" and resid 284  and name HB2 ))
   (  segid "   A" and resid 282  and name HG2%)
 ASSI { 2755}
   (( segid "   A" and resid 270  and name HB1 ))
   (  segid "   A" and resid 282  and name HG1%)
      6.000     4.500     0.000 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.18950E-02 ppm1      1.924 ppm2      0.993 CV     1
 OR { 2755}
   (( segid "   A" and resid 270  and name HB1 ))
   (  segid "   A" and resid 282  and name HG2%)
 ASSI { 2757}
   (  segid "   A" and resid 214  and name HB% )
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.72147E-02 ppm1      1.273 ppm2      0.997 CV     1
 OR { 2757}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 281  and name HG2 ))
 ASSI { 2758}
   (  segid "   A" and resid 228  and name HG2%)
   (  segid "   A" and resid 228  and name HG1%)
      6.000     4.500     0.000 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.12983E-01 ppm1      0.473 ppm2      0.983 CV     1
 ASSI { 2759}
   (  segid "   A" and resid 213  and name HG1%)
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.19750E-01 ppm1      0.341 ppm2      0.993 CV     1
 OR { 2759}
   (  segid "   A" and resid 213  and name HG1%)
   (  segid "   A" and resid 282  and name HG1%)
 OR { 2759}
   (  segid "   A" and resid 213  and name HG1%)
   (  segid "   A" and resid 168  and name HD2%)
 ASSI { 2760}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.17523E-01 ppm1      0.405 ppm2      0.994 CV     1
 OR { 2760}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 282  and name HG1%)
 ASSI { 2761}
   (  segid "   A" and resid 211  and name HD1%)
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.16453E-01 ppm1      0.731 ppm2      0.962 CV     1
 ASSI { 2762}
   (  segid "   A" and resid 225  and name HD1%)
   (  segid "   A" and resid 275  and name HD2%)
      6.000     4.500     0.000 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.14248E-01 ppm1      0.633 ppm2      0.983 CV     1
 ASSI { 2763}
   (( segid "   A" and resid 127  and name HA  ))
   (  segid "   A" and resid 123  and name HD1%)
      6.000     4.500     0.000 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.63088E-03 ppm1      3.975 ppm2      0.955 CV     1
 OR { 2763}
   (( segid "   A" and resid 127  and name HA  ))
   (  segid "   A" and resid 123  and name HD2%)
 ASSI { 2766}
   (( segid "   A" and resid 263  and name HB2 ))
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.29674E-02 ppm1      3.764 ppm2      0.964 CV     1
 ASSI { 2767}
   (( segid "   A" and resid 263  and name HA  ))
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.24647E-02 ppm1      3.675 ppm2      0.961 CV     1
 OR { 2767}
   (( segid "   A" and resid 263  and name HA  ))
   (  segid "   A" and resid 267  and name HG1%)
 ASSI { 2768}
   (( segid "   A" and resid 268  and name HA  ))
   (  segid "   A" and resid 267  and name HG2%)
      6.000     4.500     0.000 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.19123E-02 ppm1      4.209 ppm2      0.959 CV     1
 OR { 2768}
   (( segid "   A" and resid 268  and name HA  ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2768}
   (( segid "   A" and resid 268  and name HA  ))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI { 2769}
   (( segid "   A" and resid 116  and name HA  ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.23707E-02 ppm1      4.575 ppm2      0.978 CV     1
 OR { 2769}
   (( segid "   A" and resid 116  and name HA  ))
   (  segid "   A" and resid 185  and name HG1%)
 ASSI { 2771}
   (( segid "   A" and resid 264  and name HA  ))
   (  segid "   A" and resid 267  and name HG1%)
      6.000     4.500     0.000 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.31522E-02 ppm1      3.928 ppm2      0.966 CV     1
 OR { 2771}
   (( segid "   A" and resid 264  and name HA  ))
   (  segid "   A" and resid 267  and name HG2%)
 ASSI { 2772}
   (( segid "   A" and resid 284  and name HA  ))
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.48029E-02 ppm1      4.413 ppm2      0.972 CV     1
 OR { 2772}
   (( segid "   A" and resid 284  and name HA  ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2772}
   (( segid "   A" and resid 284  and name HA  ))
   (  segid "   A" and resid 267  and name HG2%)
 ASSI { 2773}
   (( segid "   A" and resid 281  and name HA  ))
   (( segid "   A" and resid 281  and name HG2 ))
      6.000     4.500     0.000 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.12356E-02 ppm1      5.263 ppm2      0.971 CV     1
 ASSI { 2774}
   (( segid "   A" and resid 283  and name HA1 ))
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.27004E-02 ppm1      4.569 ppm2      0.973 CV     1
 OR { 2774}
   (( segid "   A" and resid 283  and name HA1 ))
   (  segid "   A" and resid 267  and name HG2%)
 OR { 2774}
   (( segid "   A" and resid 283  and name HA1 ))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI { 2775}
   (( segid "   A" and resid 283  and name HA2 ))
   (  segid "   A" and resid 267  and name HG2%)
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.23869E-02 ppm1      4.026 ppm2      0.971 CV     1
 OR { 2775}
   (( segid "   A" and resid 283  and name HA2 ))
   (  segid "   A" and resid 282  and name HG2%)
 OR { 2775}
   (( segid "   A" and resid 283  and name HA2 ))
   (  segid "   A" and resid 267  and name HG1%)
 ASSI { 2776}
   (( segid "   A" and resid 281  and name HD1 ))
   (( segid "   A" and resid 281  and name HG2 ))
      6.000     4.500     0.000 peak  2776 spectrum    1 weight  0.10000E+01 volume  0.80373E-03 ppm1      3.169 ppm2      0.969 CV     1
 ASSI { 2778}
   (( segid "   A" and resid 273  and name HB2 ))
   (  segid "   A" and resid 275  and name HD2%)
      6.000     4.500     0.000 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.72482E-02 ppm1      2.985 ppm2      0.969 CV     1
 OR { 2778}
   (( segid "   A" and resid 284  and name HE2 ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2778}
   (( segid "   A" and resid 284  and name HE1 ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2778}
   (( segid "   A" and resid 284  and name HE1 ))
   (  segid "   A" and resid 267  and name HG2%)
 OR { 2778}
   (( segid "   A" and resid 284  and name HE2 ))
   (  segid "   A" and resid 267  and name HG2%)
 OR { 2778}
   (( segid "   A" and resid 273  and name HB2 ))
   (  segid "   A" and resid 228  and name HG1%)
 OR { 2778}
   (( segid "   A" and resid 224  and name HB1 ))
   (  segid "   A" and resid 275  and name HD2%)
 ASSI { 2779}
   (( segid "   A" and resid 211  and name HB  ))
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.39078E-02 ppm1      2.004 ppm2      0.960 CV     1
 OR { 2779}
   (( segid "   A" and resid 183  and name HB  ))
   (  segid "   A" and resid 183  and name HG2%)
 ASSI { 2780}
   (( segid "   A" and resid 264  and name HG1 ))
   (  segid "   A" and resid 267  and name HG1%)
      6.000     4.500     0.000 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.29003E-02 ppm1      2.362 ppm2      0.955 CV     1
 OR { 2780}
   (( segid "   A" and resid 264  and name HG2 ))
   (  segid "   A" and resid 267  and name HG1%)
 ASSI { 2781}
   (( segid "   A" and resid 284  and name HB1 ))
   (  segid "   A" and resid 267  and name HG2%)
      6.000     4.500     0.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.18788E-02 ppm1      1.817 ppm2      0.972 CV     1
 OR { 2781}
   (( segid "   A" and resid 284  and name HB1 ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2781}
   (( segid "   A" and resid 284  and name HB1 ))
   (  segid "   A" and resid 211  and name HG2%)
 ASSI { 2783}
   (( segid "   A" and resid 264  and name HB2 ))
   (  segid "   A" and resid 267  and name HG1%)
      6.000     4.500     0.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.12929E-02 ppm1      2.067 ppm2      0.958 CV     1
 OR { 2783}
   (( segid "   A" and resid 264  and name HB1 ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2783}
   (( segid "   A" and resid 264  and name HB2 ))
   (  segid "   A" and resid 267  and name HG2%)
 OR { 2783}
   (( segid "   A" and resid 264  and name HB1 ))
   (  segid "   A" and resid 267  and name HG2%)
 ASSI { 2784}
   (( segid "   A" and resid 284  and name HG1 ))
   (  segid "   A" and resid 267  and name HG1%)
      6.000     4.500     0.000 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.69141E-02 ppm1      1.534 ppm2      0.975 CV     1
 OR { 2784}
   (( segid "   A" and resid 284  and name HG2 ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2784}
   (( segid "   A" and resid 284  and name HG1 ))
   (  segid "   A" and resid 267  and name HG2%)
 OR { 2784}
   (( segid "   A" and resid 284  and name HG2 ))
   (  segid "   A" and resid 267  and name HG2%)
 OR { 2784}
   (( segid "   A" and resid 284  and name HG1 ))
   (  segid "   A" and resid 211  and name HG2%)
 ASSI { 2785}
   (  segid "   A" and resid 116  and name HG1%)
   (  segid "   A" and resid 185  and name HG1%)
      6.000     4.500     0.000 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.74373E-02 ppm1      0.290 ppm2      0.969 CV     1
 OR { 2785}
   (  segid "   A" and resid 116  and name HG1%)
   (  segid "   A" and resid 185  and name HG2%)
 ASSI { 2786}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.83486E-02 ppm1      1.248 ppm2      0.976 CV     1
 OR { 2786}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 267  and name HG1%)
 OR { 2786}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 267  and name HG2%)
 OR { 2786}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 282  and name HG2%)
 ASSI { 2787}
   (( segid "   A" and resid 127  and name HB  ))
   (  segid "   A" and resid 123  and name HD1%)
      6.000     4.500     0.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.21090E-02 ppm1      4.165 ppm2      0.938 CV     1
 OR { 2787}
   (( segid "   A" and resid 127  and name HB  ))
   (  segid "   A" and resid 123  and name HD2%)
 ASSI { 2788}
   (( segid "   A" and resid 127  and name HA  ))
   (  segid "   A" and resid 123  and name HD1%)
      6.000     4.500     0.000 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.65639E-03 ppm1      3.996 ppm2      0.934 CV     1
 OR { 2788}
   (( segid "   A" and resid 127  and name HA  ))
   (  segid "   A" and resid 123  and name HD2%)
 ASSI { 2792}
   (( segid "   A" and resid 118  and name HB2 ))
   (  segid "   A" and resid 183  and name HG2%)
      6.000     4.500     0.000 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.91021E-03 ppm1      4.344 ppm2      0.949 CV     1
 ASSI { 2795}
   (( segid "   A" and resid 178  and name HB1 ))
   (  segid "   A" and resid 183  and name HG2%)
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.43186E-02 ppm1      1.576 ppm2      0.937 CV     1
 ASSI { 2796}
   (( segid "   A" and resid 178  and name HB2 ))
   (  segid "   A" and resid 183  and name HG2%)
      6.000     4.500     0.000 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.35522E-02 ppm1      1.406 ppm2      0.935 CV     1
 ASSI { 2797}
   (( segid "   A" and resid 181  and name HD2 ))
   (  segid "   A" and resid 183  and name HG2%)
      6.000     4.500     0.000 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.10311E-02 ppm1      2.999 ppm2      0.937 CV     1
 OR { 2797}
   (( segid "   A" and resid 181  and name HD1 ))
   (  segid "   A" and resid 183  and name HG2%)
 OR { 2797}
   (( segid "   A" and resid 181  and name HD2 ))
   (  segid "   A" and resid 123  and name HD2%)
 ASSI { 2798}
   (( segid "   A" and resid 123  and name HB2 ))
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.23869E-02 ppm1      1.931 ppm2      0.936 CV     1
 ASSI { 2799}
   (( segid "   A" and resid 123  and name HB1 ))
   (  segid "   A" and resid 123  and name HD1%)
      6.000     4.500     0.000 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.28614E-02 ppm1      1.375 ppm2      0.937 CV     1
 ASSI { 2800}
   (( segid "   A" and resid 199  and name HB2 ))
   (  segid "   A" and resid 198  and name HG2%)
      6.000     4.500     0.000 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.44538E-03 ppm1      2.701 ppm2      0.936 CV     1
 ASSI { 2801}
   (( segid "   A" and resid 120  and name HB2 ))
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.78016E-03 ppm1      3.136 ppm2      0.941 CV     1
 ASSI { 2802}
   (( segid "   A" and resid 120  and name HB1 ))
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      2.749 ppm2      0.939 CV     1
 ASSI { 2804}
   (  segid "   A" and resid 127  and name HG2%)
   (  segid "   A" and resid 123  and name HD1%)
      6.000     4.500     0.000 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.18539E-01 ppm1      1.317 ppm2      0.937 CV     1
 ASSI { 2805}
   (  segid "   A" and resid 119  and name HG2%)
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.10140E-01 ppm1      0.691 ppm2      0.943 CV     1
 OR { 2805}
   (  segid "   A" and resid 119  and name HG2%)
   (  segid "   A" and resid 123  and name HD1%)
 ASSI { 2806}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.61790E-02 ppm1      0.485 ppm2      0.930 CV     1
 OR { 2806}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 123  and name HD1%)
 ASSI { 2807}
   (( segid "   A" and resid 112  and name HA  ))
   (  segid "   A" and resid 114  and name HG2%)
      6.000     4.500     0.000 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.16702E-02 ppm1      4.175 ppm2      0.908 CV     1
 OR { 2807}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 231  and name HB% )
 OR { 2807}
   (( segid "   A" and resid 215  and name HB2 ))
   (  segid "   A" and resid 168  and name HD1%)
 ASSI { 2809}
   (( segid "   A" and resid 119  and name HA  ))
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.37857E-02 ppm1      3.869 ppm2      0.915 CV     1
 OR { 2809}
   (( segid "   A" and resid 119  and name HA  ))
   (  segid "   A" and resid 183  and name HG2%)
 OR { 2809}
   (( segid "   A" and resid 135  and name HA  ))
   (  segid "   A" and resid 168  and name HD1%)
 ASSI { 2810}
   (( segid "   A" and resid 166  and name HA  ))
   (  segid "   A" and resid 114  and name HG2%)
      6.000     4.500     0.000 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.21815E-02 ppm1      3.632 ppm2      0.905 CV     1
 ASSI { 2812}
   (( segid "   A" and resid 224  and name HB2 ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.10700E-02 ppm1      2.511 ppm2      0.899 CV     1
 ASSI { 2813}
   (( segid "   A" and resid 114  and name HB  ))
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.73811E-02 ppm1      2.097 ppm2      0.910 CV     1
 ASSI { 2814}
   (( segid "   A" and resid 217  and name HB2 ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.84794E-03 ppm1      3.069 ppm2      0.904 CV     1
 ASSI { 2815}
   (( segid "   A" and resid 217  and name HB1 ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.10116E-02 ppm1      2.799 ppm2      0.908 CV     1
 ASSI { 2816}
   (( segid "   A" and resid 281  and name HB1 ))
   (  segid "   A" and resid 168  and name HD1%)
      6.000     4.500     0.000 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.11394E-02 ppm1      1.751 ppm2      0.914 CV     1
 OR { 2816}
   (( segid "   A" and resid 281  and name HB2 ))
   (  segid "   A" and resid 168  and name HD1%)
 ASSI { 2817}
   (  segid "   A" and resid 220  and name HD1%)
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.17804E-01 ppm1      0.693 ppm2      0.909 CV     1
 ASSI { 2818}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 114  and name HG2%)
      6.000     4.500     0.000 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.75368E-02 ppm1      1.345 ppm2      0.903 CV     1
 OR { 2818}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 114  and name HG1%)
 ASSI { 2819}
   (  segid "   A" and resid 202  and name HB% )
   (  segid "   A" and resid 198  and name HG2%)
      6.000     4.500     0.000 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.35684E-02 ppm1      1.558 ppm2      0.910 CV     1
 ASSI { 2820}
   (( segid "   A" and resid 215  and name HB1 ))
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.97550E-03 ppm1      4.446 ppm2      0.877 CV     1
 ASSI { 2821}
   (( segid "   A" and resid 216  and name HA  ))
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.26496E-02 ppm1      3.449 ppm2      0.877 CV     1
 ASSI { 2822}
   (( segid "   A" and resid 175  and name HA  ))
   (  segid "   A" and resid 176  and name HG2%)
      6.000     4.500     0.000 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.56212E-03 ppm1      4.336 ppm2      0.880 CV     1
 ASSI { 2823}
   (( segid "   A" and resid 157  and name HA  ))
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.56699E-03 ppm1      5.452 ppm2      0.878 CV     1
 ASSI { 2824}
   (( segid "   A" and resid 113  and name HA  ))
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.87962E-03 ppm1      5.362 ppm2      0.888 CV     1
 OR { 2824}
   (( segid "   A" and resid 113  and name HA  ))
   (  segid "   A" and resid 114  and name HG2%)
 ASSI { 2825}
   (( segid "   A" and resid 173  and name HA  ))
   (  segid "   A" and resid 183  and name HD1%)
      6.000     4.500     0.000 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.22647E-02 ppm1      5.040 ppm2      0.888 CV     1
 OR { 2825}
   (( segid "   A" and resid 173  and name HA  ))
   (  segid "   A" and resid 176  and name HG2%)
 OR { 2825}
   (( segid "   A" and resid 159  and name HA  ))
   (  segid "   A" and resid 114  and name HG1%)
 ASSI { 2827}
   (( segid "   A" and resid 113  and name HB2 ))
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.95183E-03 ppm1      1.737 ppm2      0.884 CV     1
 ASSI { 2828}
   (( segid "   A" and resid 158  and name HB  ))
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.18593E-02 ppm1      1.432 ppm2      0.885 CV     1
 ASSI { 2833}
   (  segid "   A" and resid 216  and name HG2%)
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.82373E-02 ppm1      0.374 ppm2      0.875 CV     1
 ASSI { 2834}
   (  segid "   A" and resid 116  and name HG1%)
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.77595E-02 ppm1      0.289 ppm2      0.888 CV     1
 ASSI { 2835}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.10156E-01 ppm1      0.404 ppm2      0.887 CV     1
 ASSI { 2836}
   (  segid "   A" and resid 107  and name HB% )
   (  segid "   A" and resid 197  and name HG2%)
      6.000     4.500     0.000 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.22550E-01 ppm1      1.470 ppm2      0.873 CV     1
 OR { 2836}
   (  segid "   A" and resid 166  and name HB% )
   (  segid "   A" and resid 114  and name HG1%)
 ASSI { 2837}
   (( segid "   A" and resid 149  and name HB  ))
   (  segid "   A" and resid 148  and name HG2%)
      6.000     4.500     0.000 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.84989E-03 ppm1      4.111 ppm2      0.862 CV     1
 ASSI { 2840}
   (( segid "   A" and resid 108  and name HA  ))
   (  segid "   A" and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.80708E-02 ppm1      4.002 ppm2      0.859 CV     1
 ASSI { 2842}
   (( segid "   A" and resid 280  and name HB2 ))
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.65542E-03 ppm1      2.258 ppm2      0.870 CV     1
 ASSI { 2845}
   (( segid "   A" and resid 275  and name HG  ))
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.14031E-01 ppm1      1.568 ppm2      0.856 CV     1
 ASSI { 2846}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 141  and name HG11))
      6.000     4.500     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.68590E-02 ppm1      0.030 ppm2      0.850 CV     1
 OR { 2846}
   (  segid "   A" and resid 158  and name HG2%)
   (  segid "   A" and resid 156  and name HB% )
 ASSI { 2847}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 183  and name HD1%)
      6.000     4.500     0.000 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.19620E-01 ppm1      1.385 ppm2      0.864 CV     1
 OR { 2847}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 176  and name HG2%)
 ASSI { 2849}
   (( segid "   A" and resid 109  and name HA  ))
   (  segid "   A" and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.72514E-03 ppm1      4.097 ppm2      0.839 CV     1
 OR { 2849}
   (( segid "   A" and resid 109  and name HA  ))
   (  segid "   A" and resid 108  and name HD2%)
 OR { 2849}
   (( segid "   A" and resid 109  and name HA  ))
   (  segid "   A" and resid 110  and name HG2%)
 ASSI { 2850}
   (( segid "   A" and resid 107  and name HA  ))
   (  segid "   A" and resid 110  and name HG2%)
      6.000     4.500     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.28495E-02 ppm1      3.927 ppm2      0.827 CV     1
 OR { 2850}
   (( segid "   A" and resid 202  and name HA  ))
   (  segid "   A" and resid 201  and name HD2%)
 OR { 2850}
   (( segid "   A" and resid 107  and name HA  ))
   (  segid "   A" and resid 108  and name HD2%)
 ASSI { 2851}
   (( segid "   A" and resid 155  and name HA  ))
   (  segid "   A" and resid 156  and name HB% )
      6.000     4.500     0.000 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.46894E-03 ppm1      5.518 ppm2      0.827 CV     1
 ASSI { 2852}
   (( segid "   A" and resid 178  and name HA  ))
   (  segid "   A" and resid 178  and name HD2%)
      6.000     4.500     0.000 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.64612E-02 ppm1      4.630 ppm2      0.818 CV     1
 OR { 2852}
   (( segid "   A" and resid 178  and name HA  ))
   (  segid "   A" and resid 178  and name HD1%)
 ASSI { 2853}
   (( segid "   A" and resid 131  and name HA  ))
   (  segid "   A" and resid 178  and name HD2%)
      6.000     4.500     0.000 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.12853E-02 ppm1      4.193 ppm2      0.821 CV     1
 OR { 2853}
   (( segid "   A" and resid 131  and name HA  ))
   (  segid "   A" and resid 178  and name HD1%)
 ASSI { 2855}
   (( segid "   A" and resid 178  and name HB1 ))
   (  segid "   A" and resid 178  and name HD2%)
      6.000     4.500     0.000 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.51726E-02 ppm1      1.576 ppm2      0.820 CV     1
 OR { 2855}
   (( segid "   A" and resid 178  and name HB1 ))
   (  segid "   A" and resid 178  and name HD1%)
 ASSI { 2856}
   (( segid "   A" and resid 178  and name HB2 ))
   (  segid "   A" and resid 178  and name HD1%)
      6.000     4.500     0.000 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.52667E-02 ppm1      1.404 ppm2      0.824 CV     1
 OR { 2856}
   (( segid "   A" and resid 178  and name HB2 ))
   (  segid "   A" and resid 178  and name HD2%)
 ASSI { 2858}
   (( segid "   A" and resid 108  and name HB2 ))
   (  segid "   A" and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.65401E-02 ppm1      1.476 ppm2      0.837 CV     1
 ASSI { 2859}
   (( segid "   A" and resid 116  and name HB  ))
   (  segid "   A" and resid 156  and name HB% )
      6.000     4.500     0.000 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      1.563 ppm2      0.828 CV     1
 ASSI { 2860}
   (( segid "   A" and resid 110  and name HG12))
   (  segid "   A" and resid 110  and name HG2%)
      6.000     4.500     0.000 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.33057E-02 ppm1      1.036 ppm2      0.831 CV     1
 ASSI { 2861}
   (( segid "   A" and resid 110  and name HG11))
   (  segid "   A" and resid 110  and name HG2%)
      6.000     4.500     0.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.63358E-02 ppm1      1.713 ppm2      0.820 CV     1
 ASSI { 2863}
   (( segid "   A" and resid 200  and name HB1 ))
   (  segid "   A" and resid 201  and name HD2%)
      6.000     4.500     0.000 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      2.255 ppm2      0.827 CV     1
 ASSI { 2864}
   (( segid "   A" and resid 163  and name HG1 ))
   (  segid "   A" and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  2864 spectrum    1 weight  0.10000E+01 volume  0.28614E-02 ppm1      1.991 ppm2      0.823 CV     1
 OR { 2864}
   (( segid "   A" and resid 163  and name HG1 ))
   (  segid "   A" and resid 108  and name HD2%)
 ASSI { 2866}
   (  segid "   A" and resid 127  and name HG2%)
   (  segid "   A" and resid 178  and name HD2%)
      6.000     4.500     0.000 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.13113E-01 ppm1      1.317 ppm2      0.819 CV     1
 OR { 2866}
   (  segid "   A" and resid 127  and name HG2%)
   (  segid "   A" and resid 178  and name HD1%)
 ASSI { 2867}
   (  segid "   A" and resid 143  and name HE% )
   (  segid "   A" and resid 156  and name HB% )
      6.000     4.500     0.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.37187E-02 ppm1      1.269 ppm2      0.827 CV     1
 ASSI { 2868}
   (  segid "   A" and resid 119  and name HD1%)
   (  segid "   A" and resid 156  and name HB% )
      6.000     4.500     0.000 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.63044E-02 ppm1      0.241 ppm2      0.830 CV     1
 ASSI { 2869}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 156  and name HB% )
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.11415E-01 ppm1      0.484 ppm2      0.821 CV     1
 ASSI { 2871}
   (( segid "   A" and resid 127  and name HB  ))
   (  segid "   A" and resid 178  and name HD2%)
      6.000     4.500     0.000 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.10464E-02 ppm1      4.162 ppm2      0.814 CV     1
 OR { 2871}
   (( segid "   A" and resid 127  and name HB  ))
   (  segid "   A" and resid 178  and name HD1%)
 ASSI { 2873}
   (( segid "   A" and resid 198  and name HA  ))
   (  segid "   A" and resid 201  and name HD1%)
      6.000     4.500     0.000 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.37014E-02 ppm1      3.548 ppm2      0.800 CV     1
 ASSI { 2874}
   (( segid "   A" and resid 128  and name HA  ))
   (  segid "   A" and resid 178  and name HD1%)
      6.000     4.500     0.000 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.16896E-02 ppm1      3.718 ppm2      0.813 CV     1
 OR { 2874}
   (( segid "   A" and resid 128  and name HA  ))
   (  segid "   A" and resid 178  and name HD2%)
 ASSI { 2877}
   (( segid "   A" and resid 287  and name HA  ))
   (  segid "   A" and resid 201  and name HD1%)
      6.000     4.500     0.000 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.22009E-02 ppm1      4.652 ppm2      0.802 CV     1
 OR { 2877}
   (( segid "   A" and resid 287  and name HA  ))
   (  segid "   A" and resid 201  and name HD2%)
 ASSI { 2878}
   (( segid "   A" and resid 288  and name HD2 ))
   (  segid "   A" and resid 201  and name HD2%)
      6.000     4.500     0.000 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.12659E-02 ppm1      3.924 ppm2      0.807 CV     1
 ASSI { 2880}
   (( segid "   A" and resid 186  and name HA1 ))
   (  segid "   A" and resid 170  and name HD2%)
      6.000     4.500     0.000 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      4.483 ppm2      0.793 CV     1
 ASSI { 2881}
   (( segid "   A" and resid 186  and name HA2 ))
   (  segid "   A" and resid 170  and name HD2%)
      6.000     4.500     0.000 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.17177E-02 ppm1      3.893 ppm2      0.794 CV     1
 OR { 2881}
   (( segid "   A" and resid 186  and name HA2 ))
   (  segid "   A" and resid 170  and name HD1%)
 ASSI { 2884}
   (( segid "   A" and resid 272  and name HB1 ))
   (  segid "   A" and resid 272  and name HD1%)
      6.000     4.500     0.000 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.30106E-02 ppm1      1.555 ppm2      0.796 CV     1
 ASSI { 2885}
   (( segid "   A" and resid 171  and name HG2 ))
   (  segid "   A" and resid 170  and name HD1%)
      6.000     4.500     0.000 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.10339E-02 ppm1      2.652 ppm2      0.797 CV     1
 ASSI { 2886}
   (( segid "   A" and resid 185  and name HB  ))
   (  segid "   A" and resid 170  and name HD1%)
      6.000     4.500     0.000 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.19123E-02 ppm1      1.884 ppm2      0.803 CV     1
 OR { 2886}
   (( segid "   A" and resid 185  and name HB  ))
   (  segid "   A" and resid 170  and name HD2%)
 ASSI { 2888}
   (( segid "   A" and resid 200  and name HG1 ))
   (  segid "   A" and resid 197  and name HD1%)
      6.000     4.500     0.000 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.15350E-02 ppm1      2.544 ppm2      0.806 CV     1
 OR { 2888}
   (( segid "   A" and resid 200  and name HG1 ))
   (  segid "   A" and resid 201  and name HD2%)
 ASSI { 2889}
   (( segid "   A" and resid 204  and name HB1 ))
   (  segid "   A" and resid 201  and name HD2%)
      6.000     4.500     0.000 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.83130E-03 ppm1      2.073 ppm2      0.799 CV     1
 OR { 2889}
   (( segid "   A" and resid 288  and name HB1 ))
   (  segid "   A" and resid 201  and name HD2%)
 ASSI { 2891}
   (( segid "   A" and resid 137  and name HG1 ))
   (  segid "   A" and resid 162  and name HG2%)
      6.000     4.500     0.000 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.17480E-02 ppm1      2.266 ppm2      0.797 CV     1
 OR { 2891}
   (( segid "   A" and resid 200  and name HB1 ))
   (  segid "   A" and resid 197  and name HD1%)
 OR { 2891}
   (( segid "   A" and resid 200  and name HB1 ))
   (  segid "   A" and resid 201  and name HD2%)
 ASSI { 2894}
   (( segid "   A" and resid 288  and name HG1 ))
   (  segid "   A" and resid 201  and name HD2%)
      6.000     4.500     0.000 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.12323E-02 ppm1      2.314 ppm2      0.813 CV     1
 ASSI { 2895}
   (  segid "   A" and resid 205  and name HB% )
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.40689E-02 ppm1      1.145 ppm2      0.810 CV     1
 OR { 2895}
   (  segid "   A" and resid 205  and name HB% )
   (  segid "   A" and resid 201  and name HD2%)
 OR { 2895}
   (  segid "   A" and resid 205  and name HB% )
   (  segid "   A" and resid 201  and name HD1%)
 ASSI { 2896}
   (( segid "   A" and resid 138  and name HA  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.15837E-02 ppm1      3.745 ppm2      0.761 CV     1
 ASSI { 2897}
   (( segid "   A" and resid 164  and name HA  ))
   (( segid "   A" and resid 164  and name HB2 ))
      6.000     4.500     0.000 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.19037E-02 ppm1      3.300 ppm2      0.766 CV     1
 OR { 2897}
   (( segid "   A" and resid 164  and name HA  ))
   (( segid "   A" and resid 164  and name HB1 ))
 ASSI { 2900}
   (( segid "   A" and resid 250  and name HA  ))
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.12161E-02 ppm1      4.425 ppm2      0.774 CV     1
 OR { 2900}
   (( segid "   A" and resid 250  and name HA  ))
   (( segid "   A" and resid 240  and name HB1 ))
 ASSI { 2901}
   (( segid "   A" and resid 133  and name HA  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.32268E-02 ppm1      4.702 ppm2      0.761 CV     1
 OR { 2901}
   (( segid "   A" and resid 212  and name HA  ))
   (( segid "   A" and resid 164  and name HB2 ))
 ASSI { 2902}
   (( segid "   A" and resid 169  and name HA  ))
   (  segid "   A" and resid 170  and name HD1%)
      6.000     4.500     0.000 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.63671E-03 ppm1      2.391 ppm2      0.777 CV     1
 OR { 2902}
   (( segid "   A" and resid 169  and name HA  ))
   (  segid "   A" and resid 170  and name HD2%)
 OR { 2902}
   (( segid "   A" and resid 169  and name HA  ))
   (  segid "   A" and resid 138  and name HD1%)
 OR { 2902}
   (( segid "   A" and resid 266  and name HA  ))
   (  segid "   A" and resid 272  and name HD1%)
 OR { 2902}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 164  and name HB2 ))
 ASSI { 2903}
   (( segid "   A" and resid 285  and name HA  ))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.15761E-02 ppm1      4.749 ppm2      0.772 CV     1
 OR { 2903}
   (( segid "   A" and resid 285  and name HA  ))
   (( segid "   A" and resid 164  and name HB2 ))
 ASSI { 2905}
   (( segid "   A" and resid 194  and name HA  ))
   (  segid "   A" and resid 197  and name HD1%)
      6.000     4.500     0.000 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.24409E-02 ppm1      4.494 ppm2      0.783 CV     1
 ASSI { 2907}
   (( segid "   A" and resid 250  and name HE1 ))
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.34960E-02 ppm1      2.989 ppm2      0.776 CV     1
 OR { 2907}
   (( segid "   A" and resid 252  and name HB2 ))
   (  segid "   A" and resid 241  and name HB% )
 OR { 2907}
   (( segid "   A" and resid 252  and name HB2 ))
   (  segid "   A" and resid 162  and name HG2%)
 OR { 2907}
   (( segid "   A" and resid 284  and name HE1 ))
   (  segid "   A" and resid 286  and name HG1%)
 OR { 2907}
   (( segid "   A" and resid 284  and name HE2 ))
   (  segid "   A" and resid 286  and name HG1%)
 OR { 2907}
   (( segid "   A" and resid 273  and name HB2 ))
   (  segid "   A" and resid 272  and name HD1%)
 OR { 2907}
   (( segid "   A" and resid 252  and name HB2 ))
   (( segid "   A" and resid 164  and name HB2 ))
 OR { 2907}
   (( segid "   A" and resid 252  and name HB2 ))
   (( segid "   A" and resid 240  and name HB1 ))
 ASSI { 2908}
   (( segid "   A" and resid 250  and name HE2 ))
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.24528E-02 ppm1      2.951 ppm2      0.777 CV     1
 ASSI { 2909}
   (( segid "   A" and resid 132  and name HB2 ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.67898E-03 ppm1      3.529 ppm2      0.764 CV     1
 ASSI { 2912}
   (( segid "   A" and resid 125  and name HB2 ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2912 spectrum    1 weight  0.10000E+01 volume  0.11848E-02 ppm1      2.146 ppm2      0.771 CV     1
 OR { 2912}
   (( segid "   A" and resid 171  and name HB1 ))
   (  segid "   A" and resid 170  and name HD1%)
 ASSI { 2913}
   (( segid "   A" and resid 138  and name HG12))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.23015E-02 ppm1      1.900 ppm2      0.774 CV     1
 ASSI { 2914}
   (( segid "   A" and resid 138  and name HG11))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.13556E-02 ppm1      0.315 ppm2      0.765 CV     1
 ASSI { 2915}
   (( segid "   A" and resid 137  and name HG1 ))
   (  segid "   A" and resid 162  and name HG2%)
      6.000     4.500     0.000 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.17480E-02 ppm1      2.276 ppm2      0.782 CV     1
 OR { 2915}
   (( segid "   A" and resid 200  and name HB1 ))
   (  segid "   A" and resid 197  and name HD1%)
 OR { 2915}
   (( segid "   A" and resid 200  and name HB1 ))
   (  segid "   A" and resid 201  and name HD2%)
 ASSI { 2917}
   (  segid "   A" and resid 286  and name HG2%)
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.19491E-01 ppm1      0.551 ppm2      0.780 CV     1
 ASSI { 2918}
   (  segid "   A" and resid 202  and name HB% )
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.34625E-02 ppm1      1.559 ppm2      0.787 CV     1
 OR { 2918}
   (  segid "   A" and resid 202  and name HB% )
   (  segid "   A" and resid 201  and name HD1%)
 OR { 2918}
   (  segid "   A" and resid 202  and name HB% )
   (  segid "   A" and resid 201  and name HD2%)
 ASSI { 2920}
   (( segid "   A" and resid 137  and name HA  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.65736E-03 ppm1      4.654 ppm2      0.760 CV     1
 ASSI { 2921}
   (( segid "   A" and resid 129  and name HA  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.55337E-02 ppm1      3.656 ppm2      0.742 CV     1
 OR { 2921}
   (( segid "   A" and resid 129  and name HA  ))
   (  segid "   A" and resid 141  and name HD1%)
 ASSI { 2924}
   (( segid "   A" and resid 284  and name HA  ))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.11253E-02 ppm1      4.420 ppm2      0.757 CV     1
 OR { 2924}
   (( segid "   A" and resid 284  and name HA  ))
   (  segid "   A" and resid 211  and name HD1%)
 OR { 2924}
   (( segid "   A" and resid 250  and name HA  ))
   (  segid "   A" and resid 241  and name HB% )
 ASSI { 2925}
   (( segid "   A" and resid 249  and name HA  ))
   (( segid "   A" and resid 240  and name HB1 ))
      6.000     4.500     0.000 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.62590E-03 ppm1      5.362 ppm2      0.755 CV     1
 OR { 2925}
   (( segid "   A" and resid 249  and name HA  ))
   (  segid "   A" and resid 241  and name HB% )
 ASSI { 2926}
   (( segid "   A" and resid 107  and name HA  ))
   (  segid "   A" and resid 110  and name HD1%)
      6.000     4.500     0.000 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.30971E-02 ppm1      3.929 ppm2      0.743 CV     1
 ASSI { 2927}
   (( segid "   A" and resid 129  and name HD2 ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.13988E-02 ppm1      3.332 ppm2      0.746 CV     1
 OR { 2927}
   (( segid "   A" and resid 129  and name HD2 ))
   (  segid "   A" and resid 138  and name HD1%)
 ASSI { 2928}
   (( segid "   A" and resid 141  and name HB  ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.43575E-02 ppm1      1.620 ppm2      0.743 CV     1
 ASSI { 2929}
   (( segid "   A" and resid 132  and name HB1 ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.73984E-03 ppm1      2.839 ppm2      0.746 CV     1
 ASSI { 2930}
   (( segid "   A" and resid 125  and name HG1 ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.41630E-02 ppm1      2.220 ppm2      0.746 CV     1
 OR { 2930}
   (( segid "   A" and resid 125  and name HG2 ))
   (  segid "   A" and resid 141  and name HD1%)
 ASSI { 2931}
   (( segid "   A" and resid 158  and name HB  ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.73498E-03 ppm1      1.428 ppm2      0.741 CV     1
 OR { 2931}
   (( segid "   A" and resid 158  and name HB  ))
   (  segid "   A" and resid 138  and name HD1%)
 ASSI { 2932}
   (( segid "   A" and resid 129  and name HB2 ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.31674E-02 ppm1      1.951 ppm2      0.748 CV     1
 OR { 2932}
   (( segid "   A" and resid 129  and name HB2 ))
   (  segid "   A" and resid 138  and name HD1%)
 ASSI { 2933}
   (( segid "   A" and resid 129  and name HB1 ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.31717E-02 ppm1      1.877 ppm2      0.757 CV     1
 OR { 2933}
   (( segid "   A" and resid 129  and name HB1 ))
   (  segid "   A" and resid 138  and name HD1%)
 ASSI { 2934}
   (( segid "   A" and resid 110  and name HG11))
   (  segid "   A" and resid 110  and name HD1%)
      6.000     4.500     0.000 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.75487E-02 ppm1      1.712 ppm2      0.744 CV     1
 ASSI { 2935}
   (( segid "   A" and resid 141  and name HG11))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.26333E-02 ppm1      0.834 ppm2      0.737 CV     1
 ASSI { 2936}
   (  segid "   A" and resid 158  and name HG1%)
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.82600E-02 ppm1      0.130 ppm2      0.756 CV     1
 OR { 2936}
   (  segid "   A" and resid 158  and name HG1%)
   (  segid "   A" and resid 141  and name HD1%)
 ASSI { 2937}
   (  segid "   A" and resid 158  and name HG2%)
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.68309E-02 ppm1      0.030 ppm2      0.752 CV     1
 ASSI { 2938}
   (  segid "   A" and resid 194  and name HB% )
   (  segid "   A" and resid 110  and name HD1%)
      6.000     4.500     0.000 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.15631E-01 ppm1      1.431 ppm2      0.749 CV     1
 OR { 2938}
   (  segid "   A" and resid 194  and name HB% )
   (  segid "   A" and resid 198  and name HD1%)
 ASSI { 2939}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.66104E-02 ppm1      1.248 ppm2      0.737 CV     1
 ASSI { 2940}
   (  segid "   A" and resid 138  and name HG2%)
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.25750E-01 ppm1      0.534 ppm2      0.753 CV     1
 OR { 2940}
   (  segid "   A" and resid 138  and name HG2%)
   (  segid "   A" and resid 138  and name HD1%)
 ASSI { 2941}
   (  segid "   A" and resid 133  and name HB% )
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.79378E-02 ppm1      1.607 ppm2      0.760 CV     1
 ASSI { 2942}
   (  segid "   A" and resid 141  and name HG2%)
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2942 spectrum    1 weight  0.10000E+01 volume  0.16831E-01 ppm1      0.593 ppm2      0.739 CV     1
 ASSI { 2943}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.16983E-02 ppm1      0.185 ppm2      0.743 CV     1
 ASSI { 2944}
   (( segid "   A" and resid 191  and name HA  ))
   (  segid "   A" and resid 198  and name HD1%)
      6.000     4.500     0.000 peak  2944 spectrum    1 weight  0.10000E+01 volume  0.29836E-02 ppm1      4.018 ppm2      0.732 CV     1
 OR { 2944}
   (( segid "   A" and resid 191  and name HA  ))
   (  segid "   A" and resid 110  and name HD1%)
 OR { 2944}
   (( segid "   A" and resid 262  and name HA  ))
   (  segid "   A" and resid 211  and name HD1%)
 ASSI { 2945}
   (( segid "   A" and resid 119  and name HA  ))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.41186E-02 ppm1      3.862 ppm2      0.708 CV     1
 ASSI { 2946}
   (( segid "   A" and resid 185  and name HA  ))
   (  segid "   A" and resid 116  and name HG2%)
      6.000     4.500     0.000 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.72903E-03 ppm1      5.343 ppm2      0.729 CV     1
 ASSI { 2947}
   (( segid "   A" and resid 126  and name HA  ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.16453E-02 ppm1      4.349 ppm2      0.722 CV     1
 ASSI { 2948}
   (( segid "   A" and resid 255  and name HB  ))
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.67401E-03 ppm1      1.231 ppm2      0.713 CV     1
 ASSI { 2949}
   (( segid "   A" and resid 211  and name HB  ))
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.15502E-02 ppm1      2.008 ppm2      0.728 CV     1
 ASSI { 2950}
   (( segid "   A" and resid 110  and name HB  ))
   (  segid "   A" and resid 110  and name HD1%)
      6.000     4.500     0.000 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.51413E-02 ppm1      1.876 ppm2      0.732 CV     1
 ASSI { 2951}
   (( segid "   A" and resid 121  and name HB2 ))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.83519E-03 ppm1      2.812 ppm2      0.707 CV     1
 ASSI { 2952}
   (( segid "   A" and resid 116  and name HB  ))
   (  segid "   A" and resid 116  and name HG2%)
      6.000     4.500     0.000 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.18788E-02 ppm1      1.561 ppm2      0.717 CV     1
 ASSI { 2955}
   (( segid "   A" and resid 198  and name HG11))
   (  segid "   A" and resid 198  and name HD1%)
      6.000     4.500     0.000 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.27793E-02 ppm1      1.222 ppm2      0.711 CV     1
 OR { 2955}
   (( segid "   A" and resid 119  and name HG11))
   (  segid "   A" and resid 119  and name HG2%)
 ASSI { 2957}
   (  segid "   A" and resid 116  and name HG1%)
   (  segid "   A" and resid 116  and name HG2%)
      6.000     4.500     0.000 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.10250E-01 ppm1      0.289 ppm2      0.715 CV     1
 ASSI { 2958}
   (  segid "   A" and resid 198  and name HG2%)
   (  segid "   A" and resid 198  and name HD1%)
      6.000     4.500     0.000 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.16745E-01 ppm1      0.923 ppm2      0.726 CV     1
 ASSI { 2959}
   (( segid "   A" and resid 257  and name HA  ))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.74773E-03 ppm1      4.851 ppm2      0.680 CV     1
 ASSI { 2961}
   (( segid "   A" and resid 279  and name HA  ))
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.90329E-03 ppm1      4.808 ppm2      0.695 CV     1
 OR { 2961}
   (( segid "   A" and resid 279  and name HA  ))
   (  segid "   A" and resid 220  and name HD1%)
 ASSI { 2962}
   (( segid "   A" and resid 123  and name HA  ))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.98242E-03 ppm1      4.389 ppm2      0.694 CV     1
 ASSI { 2964}
   (( segid "   A" and resid 281  and name HA  ))
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.73595E-03 ppm1      5.262 ppm2      0.696 CV     1
 ASSI { 2965}
   (( segid "   A" and resid 123  and name HB2 ))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.11718E-02 ppm1      1.926 ppm2      0.687 CV     1
 ASSI { 2966}
   (( segid "   A" and resid 123  and name HB1 ))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2966 spectrum    1 weight  0.10000E+01 volume  0.10853E-02 ppm1      1.361 ppm2      0.691 CV     1
 ASSI { 2968}
   (( segid "   A" and resid 119  and name HB  ))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.14421E-02 ppm1      1.137 ppm2      0.692 CV     1
 ASSI { 2970}
   (( segid "   A" and resid 279  and name HB2 ))
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      2.726 ppm2      0.693 CV     1
 ASSI { 2971}
   (( segid "   A" and resid 230  and name HG1 ))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.37349E-02 ppm1      2.551 ppm2      0.679 CV     1
 OR { 2971}
   (( segid "   A" and resid 230  and name HG2 ))
   (  segid "   A" and resid 235  and name HD1%)
 ASSI { 2972}
   (( segid "   A" and resid 217  and name HB2 ))
   (  segid "   A" and resid 220  and name HD1%)
      6.000     4.500     0.000 peak  2972 spectrum    1 weight  0.10000E+01 volume  0.55931E-03 ppm1      3.053 ppm2      0.693 CV     1
 ASSI { 2973}
   (( segid "   A" and resid 217  and name HB1 ))
   (  segid "   A" and resid 220  and name HD1%)
      6.000     4.500     0.000 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.55023E-03 ppm1      2.795 ppm2      0.692 CV     1
 ASSI { 2974}
   (( segid "   A" and resid 119  and name HG12))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.99215E-03 ppm1      0.426 ppm2      0.700 CV     1
 ASSI { 2975}
   (( segid "   A" and resid 272  and name HG  ))
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.72147E-02 ppm1      1.511 ppm2      0.680 CV     1
 ASSI { 2976}
   (  segid "   A" and resid 123  and name HD2%)
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.64850E-02 ppm1      0.952 ppm2      0.689 CV     1
 ASSI { 2978}
   (  segid "   A" and resid 143  and name HE% )
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.32701E-02 ppm1      1.268 ppm2      0.698 CV     1
 ASSI { 2979}
   (  segid "   A" and resid 119  and name HD1%)
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.10140E-01 ppm1      0.240 ppm2      0.699 CV     1
 ASSI { 2980}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 116  and name HG2%)
      6.000     4.500     0.000 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.98102E-02 ppm1      0.485 ppm2      0.699 CV     1
 OR { 2980}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 119  and name HG2%)
 ASSI { 2981}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.12086E-02 ppm1      4.167 ppm2      0.676 CV     1
 ASSI { 2984}
   (( segid "   A" and resid 251  and name HA2 ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.69963E-03 ppm1      4.326 ppm2      0.669 CV     1
 ASSI { 2985}
   (( segid "   A" and resid 251  and name HA1 ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak  2985 spectrum    1 weight  0.10000E+01 volume  0.76449E-03 ppm1      4.124 ppm2      0.678 CV     1
 ASSI { 2990}
   (( segid "   A" and resid 235  and name HG11))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.74092E-03 ppm1      0.037 ppm2      0.667 CV     1
 ASSI { 2991}
   (( segid "   A" and resid 230  and name HB1 ))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.16961E-02 ppm1      2.288 ppm2      0.678 CV     1
 ASSI { 2994}
   (  segid "   A" and resid 240  and name HD1%)
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.73595E-02 ppm1     -0.085 ppm2      0.661 CV     1
 ASSI { 2996}
   (  segid "   A" and resid 214  and name HB% )
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.20755E-02 ppm1      1.271 ppm2      0.669 CV     1
 ASSI { 2997}
   (  segid "   A" and resid 216  and name HG2%)
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.17696E-01 ppm1      0.374 ppm2      0.658 CV     1
 ASSI { 2998}
   (  segid "   A" and resid 255  and name HG2%)
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.92826E-02 ppm1      0.219 ppm2      0.659 CV     1
 ASSI { 3000}
   (( segid "   A" and resid 160  and name HA  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.78708E-03 ppm1      5.110 ppm2      0.646 CV     1
 ASSI { 3001}
   (( segid "   A" and resid 222  and name HA  ))
   (  segid "   A" and resid 225  and name HD1%)
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      3.701 ppm2      0.628 CV     1
 OR { 3001}
   (( segid "   A" and resid 222  and name HA  ))
   (  segid "   A" and resid 225  and name HG2%)
 ASSI { 3004}
   (( segid "   A" and resid 137  and name HD2 ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.73498E-03 ppm1      3.189 ppm2      0.646 CV     1
 ASSI { 3007}
   (( segid "   A" and resid 225  and name HG11))
   (  segid "   A" and resid 225  and name HD1%)
      6.000     4.500     0.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.66893E-02 ppm1      1.042 ppm2      0.635 CV     1
 OR { 3007}
   (( segid "   A" and resid 225  and name HG11))
   (  segid "   A" and resid 225  and name HG2%)
 ASSI { 3008}
   (  segid "   A" and resid 275  and name HD2%)
   (  segid "   A" and resid 225  and name HD1%)
      6.000     4.500     0.000 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.92934E-02 ppm1      0.968 ppm2      0.642 CV     1
 ASSI { 3009}
   (  segid "   A" and resid 240  and name HD2%)
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.97161E-02 ppm1      0.083 ppm2      0.647 CV     1
 ASSI { 3010}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.13675E-01 ppm1      0.400 ppm2      0.635 CV     1
 OR { 3010}
   (  segid "   A" and resid 216  and name HG2%)
   (  segid "   A" and resid 225  and name HD1%)
 ASSI { 3011}
   (  segid "   A" and resid 213  and name HG1%)
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.11621E-01 ppm1      0.347 ppm2      0.634 CV     1
 OR { 3011}
   (  segid "   A" and resid 216  and name HG2%)
   (  segid "   A" and resid 225  and name HD1%)
 ASSI { 3012}
   (  segid "   A" and resid 162  and name HG2%)
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.12205E-01 ppm1      0.777 ppm2      0.644 CV     1
 ASSI { 3013}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.13242E-02 ppm1      1.347 ppm2      0.646 CV     1
 ASSI { 3015}
   (( segid "   A" and resid 228  and name HB  ))
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.97691E-03 ppm1      2.071 ppm2      0.613 CV     1
 OR { 3015}
   (( segid "   A" and resid 228  and name HB  ))
   (  segid "   A" and resid 225  and name HD1%)
 ASSI { 3016}
   (( segid "   A" and resid 125  and name HB2 ))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.82340E-03 ppm1      2.154 ppm2      0.604 CV     1
 ASSI { 3017}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.12842E-01 ppm1     -0.126 ppm2      0.611 CV     1
 ASSI { 3020}
   (( segid "   A" and resid 257  and name HA  ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.90048E-03 ppm1      4.843 ppm2      0.583 CV     1
 ASSI { 3022}
   (( segid "   A" and resid 142  and name HA  ))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.63866E-03 ppm1      5.019 ppm2      0.588 CV     1
 ASSI { 3024}
   (( segid "   A" and resid 226  and name HE1 ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.64536E-02 ppm1      2.841 ppm2      0.577 CV     1
 ASSI { 3026}
   (( segid "   A" and resid 125  and name HG1 ))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.43857E-02 ppm1      2.219 ppm2      0.585 CV     1
 OR { 3026}
   (( segid "   A" and resid 125  and name HG2 ))
   (  segid "   A" and resid 141  and name HG2%)
 ASSI { 3027}
   (( segid "   A" and resid 143  and name HG2 ))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.19869E-02 ppm1      2.231 ppm2      0.586 CV     1
 ASSI { 3028}
   (( segid "   A" and resid 235  and name HG12))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.18539E-02 ppm1      1.940 ppm2      0.583 CV     1
 ASSI { 3029}
   (( segid "   A" and resid 235  and name HG11))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.55996E-03 ppm1      0.031 ppm2      0.590 CV     1
 ASSI { 3030}
   (( segid "   A" and resid 226  and name HD2 ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.28225E-02 ppm1      1.641 ppm2      0.577 CV     1
 OR { 3030}
   (( segid "   A" and resid 226  and name HD1 ))
   (  segid "   A" and resid 235  and name HG2%)
 ASSI { 3031}
   (( segid "   A" and resid 234  and name HD1 ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.69866E-03 ppm1      1.725 ppm2      0.577 CV     1
 OR { 3031}
   (( segid "   A" and resid 284  and name HD1 ))
   (  segid "   A" and resid 286  and name HG2%)
 OR { 3031}
   (( segid "   A" and resid 284  and name HD2 ))
   (  segid "   A" and resid 286  and name HG2%)
 ASSI { 3032}
   (( segid "   A" and resid 141  and name HG11))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.20204E-02 ppm1      0.818 ppm2      0.571 CV     1
 ASSI { 3033}
   (( segid "   A" and resid 238  and name HB2 ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.14540E-02 ppm1      2.804 ppm2      0.581 CV     1
 OR { 3033}
   (( segid "   A" and resid 238  and name HB2 ))
   (( segid "   A" and resid 255  and name HG12))
 ASSI { 3034}
   (( segid "   A" and resid 238  and name HB1 ))
   (( segid "   A" and resid 255  and name HG12))
      6.000     4.500     0.000 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.12778E-02 ppm1      2.321 ppm2      0.579 CV     1
 OR { 3034}
   (( segid "   A" and resid 238  and name HB1 ))
   (  segid "   A" and resid 235  and name HG2%)
 ASSI { 3036}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 255  and name HG12))
      6.000     4.500     0.000 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.10644E-01 ppm1      0.218 ppm2      0.586 CV     1
 ASSI { 3038}
   (( segid "   A" and resid 163  and name HA  ))
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.46202E-03 ppm1      4.127 ppm2      0.558 CV     1
 ASSI { 3040}
   (( segid "   A" and resid 226  and name HA  ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.21231E-02 ppm1      3.652 ppm2      0.564 CV     1
 OR { 3040}
   (( segid "   A" and resid 129  and name HA  ))
   (  segid "   A" and resid 141  and name HG2%)
 OR { 3040}
   (( segid "   A" and resid 226  and name HA  ))
   (( segid "   A" and resid 255  and name HG12))
 ASSI { 3042}
   (( segid "   A" and resid 125  and name HA  ))
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.21815E-02 ppm1      3.707 ppm2      0.543 CV     1
 ASSI { 3043}
   (( segid "   A" and resid 140  and name HA  ))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  3043 spectrum    1 weight  0.10000E+01 volume  0.24182E-02 ppm1      4.480 ppm2      0.554 CV     1
 ASSI { 3044}
   (( segid "   A" and resid 139  and name HA  ))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.10686E-02 ppm1      4.299 ppm2      0.552 CV     1
 OR { 3044}
   (( segid "   A" and resid 236  and name HA  ))
   (  segid "   A" and resid 235  and name HG2%)
 ASSI { 3045}
   (( segid "   A" and resid 285  and name HA  ))
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.97961E-03 ppm1      4.747 ppm2      0.562 CV     1
 ASSI { 3049}
   (( segid "   A" and resid 141  and name HG12))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.33371E-02 ppm1      1.500 ppm2      0.560 CV     1
 ASSI { 3050}
   (( segid "   A" and resid 163  and name HG1 ))
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.15426E-02 ppm1      1.994 ppm2      0.549 CV     1
 ASSI { 3051}
   (( segid "   A" and resid 163  and name HG2 ))
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.12302E-02 ppm1      1.879 ppm2      0.551 CV     1
 ASSI { 3052}
   (  segid "   A" and resid 287  and name HG2%)
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.74925E-02 ppm1      1.080 ppm2      0.552 CV     1
 ASSI { 3054}
   (  segid "   A" and resid 158  and name HG2%)
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.97626E-02 ppm1      0.031 ppm2      0.545 CV     1
 ASSI { 3055}
   (  segid "   A" and resid 285  and name HB% )
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3055 spectrum    1 weight  0.10000E+01 volume  0.13859E-02 ppm1      1.512 ppm2      0.552 CV     1
 ASSI { 3056}
   (  segid "   A" and resid 205  and name HB% )
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.12637E-02 ppm1      1.145 ppm2      0.557 CV     1
 ASSI { 3057}
   (  segid "   A" and resid 202  and name HB% )
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.15253E-02 ppm1      1.562 ppm2      0.557 CV     1
 ASSI { 3058}
   (  segid "   A" and resid 111  and name HE% )
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.14918E-01 ppm1      1.964 ppm2      0.551 CV     1
 ASSI { 3059}
   (( segid "   A" and resid 138  and name HA  ))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.25155E-02 ppm1      3.748 ppm2      0.531 CV     1
 ASSI { 3061}
   (( segid "   A" and resid 133  and name HA  ))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.69466E-03 ppm1      4.698 ppm2      0.529 CV     1
 OR { 3061}
   (( segid "   A" and resid 133  and name HA  ))
   (  segid "   A" and resid 128  and name HG2%)
 ASSI { 3063}
   (( segid "   A" and resid 158  and name HB  ))
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3063 spectrum    1 weight  0.10000E+01 volume  0.65044E-03 ppm1      1.427 ppm2      0.536 CV     1
 OR { 3063}
   (( segid "   A" and resid 158  and name HB  ))
   (  segid "   A" and resid 138  and name HG2%)
 ASSI { 3064}
   (( segid "   A" and resid 138  and name HG12))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.11588E-02 ppm1      1.901 ppm2      0.533 CV     1
 ASSI { 3065}
   (( segid "   A" and resid 138  and name HG11))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  3065 spectrum    1 weight  0.10000E+01 volume  0.91994E-03 ppm1      0.318 ppm2      0.531 CV     1
 ASSI { 3066}
   (  segid "   A" and resid 158  and name HG1%)
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.78600E-02 ppm1      0.130 ppm2      0.538 CV     1
 OR { 3066}
   (  segid "   A" and resid 158  and name HG1%)
   (  segid "   A" and resid 128  and name HG2%)
 ASSI { 3067}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.11275E-02 ppm1      1.342 ppm2      0.541 CV     1
 OR { 3067}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 138  and name HG2%)
 ASSI { 3068}
   (  segid "   A" and resid 133  and name HB% )
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.16172E-02 ppm1      1.609 ppm2      0.538 CV     1
 OR { 3068}
   (  segid "   A" and resid 133  and name HB% )
   (  segid "   A" and resid 128  and name HG2%)
 ASSI { 3069}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.13167E-02 ppm1      1.384 ppm2      0.520 CV     1
 ASSI { 3070}
   (  segid "   A" and resid 183  and name HD1%)
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.19069E-02 ppm1      0.860 ppm2      0.532 CV     1
 ASSI { 3073}
   (( segid "   A" and resid 128  and name HG12))
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.45305E-02 ppm1      1.204 ppm2      0.499 CV     1
 OR { 3073}
   (( segid "   A" and resid 128  and name HG11))
   (  segid "   A" and resid 128  and name HD1%)
 ASSI { 3074}
   (  segid "   A" and resid 178  and name HD1%)
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  3074 spectrum    1 weight  0.10000E+01 volume  0.90934E-02 ppm1      0.816 ppm2      0.495 CV     1
 ASSI { 3075}
   (  segid "   A" and resid 123  and name HD1%)
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.28301E-02 ppm1      0.931 ppm2      0.487 CV     1
 ASSI { 3076}
   (  segid "   A" and resid 127  and name HG2%)
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.30733E-02 ppm1      1.317 ppm2      0.489 CV     1
 ASSI { 3077}
   (  segid "   A" and resid 116  and name HG1%)
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3077 spectrum    1 weight  0.10000E+01 volume  0.34625E-02 ppm1      0.290 ppm2      0.505 CV     1
 OR { 3077}
   (  segid "   A" and resid 116  and name HG1%)
   (  segid "   A" and resid 128  and name HD1%)
 ASSI { 3078}
   (  segid "   A" and resid 131  and name HB% )
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.33446E-02 ppm1      1.446 ppm2      0.513 CV     1
 ASSI { 3079}
   (  segid "   A" and resid 183  and name HG2%)
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.21988E-02 ppm1      0.947 ppm2      0.494 CV     1
 ASSI { 3080}
   (  segid "   A" and resid 143  and name HE% )
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.41024E-02 ppm1      1.269 ppm2      0.493 CV     1
 ASSI { 3082}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.89075E-03 ppm1      4.167 ppm2      0.481 CV     1
 ASSI { 3083}
   (( segid "   A" and resid 225  and name HA  ))
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.80568E-03 ppm1      3.825 ppm2      0.481 CV     1
 ASSI { 3085}
   (  segid "   A" and resid 275  and name HD2%)
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak  3085 spectrum    1 weight  0.10000E+01 volume  0.22398E-02 ppm1      0.966 ppm2      0.470 CV     1
 ASSI { 3086}
   (  segid "   A" and resid 123  and name HD2%)
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  3086 spectrum    1 weight  0.10000E+01 volume  0.21869E-02 ppm1      0.952 ppm2      0.485 CV     1
 ASSI { 3087}
   (  segid "   A" and resid 275  and name HD1%)
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.27393E-02 ppm1      1.043 ppm2      0.472 CV     1
 ASSI { 3089}
   (  segid "   A" and resid 116  and name HG2%)
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.55575E-02 ppm1      0.711 ppm2      0.486 CV     1
 ASSI { 3090}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.10235E-01 ppm1      0.183 ppm2      0.471 CV     1
 ASSI { 3092}
   (( segid "   A" and resid 119  and name HB  ))
   (( segid "   A" and resid 119  and name HG12))
      6.000     4.500     0.000 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.43705E-03 ppm1      1.125 ppm2      0.440 CV     1
 ASSI { 3093}
   (( segid "   A" and resid 215  and name HA  ))
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.10897E-02 ppm1      3.852 ppm2      0.407 CV     1
 ASSI { 3094}
   (( segid "   A" and resid 282  and name HA  ))
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.85097E-03 ppm1      5.381 ppm2      0.378 CV     1
 ASSI { 3095}
   (( segid "   A" and resid 214  and name HA  ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.14507E-02 ppm1      5.104 ppm2      0.384 CV     1
 OR { 3095}
   (( segid "   A" and resid 214  and name HA  ))
   (  segid "   A" and resid 213  and name HG2%)
 ASSI { 3097}
   (  segid "   A" and resid 225  and name HG2%)
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak  3097 spectrum    1 weight  0.10000E+01 volume  0.77152E-02 ppm1      0.614 ppm2      0.386 CV     1
 OR { 3097}
   (  segid "   A" and resid 225  and name HG2%)
   (  segid "   A" and resid 216  and name HG2%)
 ASSI { 3098}
   (  segid "   A" and resid 225  and name HD1%)
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.73152E-02 ppm1      0.633 ppm2      0.379 CV     1
 ASSI { 3101}
   (( segid "   A" and resid 212  and name HA  ))
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.11275E-02 ppm1      4.710 ppm2      0.357 CV     1
 ASSI { 3102}
   (( segid "   A" and resid 252  and name HA  ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.93378E-03 ppm1      5.602 ppm2      0.377 CV     1
 ASSI { 3103}
   (( segid "   A" and resid 251  and name HA2 ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.46137E-03 ppm1      4.312 ppm2      0.376 CV     1
 ASSI { 3105}
   (( segid "   A" and resid 225  and name HB  ))
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.72806E-03 ppm1      1.828 ppm2      0.371 CV     1
 OR { 3105}
   (( segid "   A" and resid 225  and name HB  ))
   (  segid "   A" and resid 216  and name HG2%)
 OR { 3105}
   (( segid "   A" and resid 225  and name HB  ))
   (  segid "   A" and resid 213  and name HG2%)
 ASSI { 3108}
   (( segid "   A" and resid 255  and name HG12))
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.65336E-03 ppm1      0.563 ppm2      0.359 CV     1
 ASSI { 3109}
   (( segid "   A" and resid 225  and name HG12))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3109 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      1.514 ppm2      0.371 CV     1
 OR { 3109}
   (( segid "   A" and resid 225  and name HG12))
   (  segid "   A" and resid 213  and name HG1%)
 ASSI { 3110}
   (  segid "   A" and resid 220  and name HD2%)
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.12778E-02 ppm1      0.904 ppm2      0.373 CV     1
 OR { 3110}
   (  segid "   A" and resid 220  and name HD2%)
   (  segid "   A" and resid 213  and name HG2%)
 ASSI { 3111}
   (( segid "   A" and resid 240  and name HG  ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.65542E-03 ppm1      1.135 ppm2      0.373 CV     1
 OR { 3111}
   (( segid "   A" and resid 240  and name HG  ))
   (  segid "   A" and resid 213  and name HG1%)
 ASSI { 3112}
   (( segid "   A" and resid 225  and name HG11))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.45748E-02 ppm1      1.050 ppm2      0.378 CV     1
 OR { 3112}
   (  segid "   A" and resid 280  and name HD1%)
   (  segid "   A" and resid 216  and name HG2%)
 OR { 3112}
   (( segid "   A" and resid 225  and name HG11))
   (  segid "   A" and resid 213  and name HG1%)
 ASSI { 3113}
   (  segid "   A" and resid 240  and name HD1%)
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.25306E-02 ppm1     -0.085 ppm2      0.377 CV     1
 ASSI { 3114}
   (  segid "   A" and resid 214  and name HB% )
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.28020E-02 ppm1      1.272 ppm2      0.375 CV     1
 OR { 3114}
   (  segid "   A" and resid 214  and name HB% )
   (  segid "   A" and resid 216  and name HG2%)
 OR { 3114}
   (  segid "   A" and resid 214  and name HB% )
   (  segid "   A" and resid 213  and name HG1%)
 ASSI { 3116}
   (  segid "   A" and resid 240  and name HD2%)
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.72709E-02 ppm1      0.083 ppm2      0.375 CV     1
 OR { 3116}
   (  segid "   A" and resid 240  and name HD2%)
   (  segid "   A" and resid 213  and name HG1%)
 ASSI { 3117}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.75065E-03 ppm1      1.247 ppm2      0.361 CV     1
 ASSI { 3118}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.71368E-02 ppm1     -0.126 ppm2      0.359 CV     1
 ASSI { 3119}
   (  segid "   A" and resid 211  and name HD1%)
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.33490E-02 ppm1      0.739 ppm2      0.349 CV     1
 ASSI { 3122}
   (( segid "   A" and resid 157  and name HA  ))
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.51834E-03 ppm1      5.444 ppm2      0.298 CV     1
 ASSI { 3124}
   (( segid "   A" and resid 114  and name HB  ))
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.73692E-03 ppm1      2.088 ppm2      0.300 CV     1
 ASSI { 3126}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.10738E-01 ppm1      0.987 ppm2      0.313 CV     1
 OR { 3126}
   (  segid "   A" and resid 185  and name HG2%)
   (  segid "   A" and resid 116  and name HG1%)
 ASSI { 3127}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3127 spectrum    1 weight  0.10000E+01 volume  0.76546E-03 ppm1      1.349 ppm2      0.296 CV     1
 ASSI { 3129}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.13210E-02 ppm1      1.607 ppm2      0.306 CV     1
 OR { 3129}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 138  and name HG11))
 ASSI { 3133}
   (( segid "   A" and resid 134  and name HD1 ))
   (( segid "   A" and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.63282E-03 ppm1      3.686 ppm2      0.286 CV     1
 ASSI { 3135}
   (( segid "   A" and resid 158  and name HB  ))
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.69563E-03 ppm1      1.434 ppm2      0.273 CV     1
 ASSI { 3140}
   (  segid "   A" and resid 114  and name HG2%)
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3140 spectrum    1 weight  0.10000E+01 volume  0.44138E-02 ppm1      0.921 ppm2      0.285 CV     1
 ASSI { 3142}
   (  segid "   A" and resid 114  and name HG1%)
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.50386E-02 ppm1      0.886 ppm2      0.287 CV     1
 ASSI { 3143}
   (  segid "   A" and resid 158  and name HG2%)
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.70147E-02 ppm1      0.030 ppm2      0.283 CV     1
 ASSI { 3144}
   (  segid "   A" and resid 131  and name HB% )
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.76935E-03 ppm1      1.447 ppm2      0.289 CV     1
 OR { 3144}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 138  and name HG11))
 OR { 3144}
   (  segid "   A" and resid 166  and name HB% )
   (  segid "   A" and resid 116  and name HG1%)
 ASSI { 3145}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3145 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      1.385 ppm2      0.282 CV     1
 OR { 3145}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 134  and name HB1 ))
 ASSI { 3146}
   (  segid "   A" and resid 183  and name HD1%)
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.25977E-02 ppm1      0.869 ppm2      0.280 CV     1
 ASSI { 3149}
   (( segid "   A" and resid 119  and name HB  ))
   (  segid "   A" and resid 119  and name HD1%)
      6.000     4.500     0.000 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      1.122 ppm2      0.246 CV     1
 ASSI { 3151}
   (( segid "   A" and resid 119  and name HG12))
   (  segid "   A" and resid 119  and name HD1%)
      6.000     4.500     0.000 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.10158E-02 ppm1      0.433 ppm2      0.251 CV     1
 ASSI { 3152}
   (  segid "   A" and resid 123  and name HD2%)
   (  segid "   A" and resid 119  and name HD1%)
      6.000     4.500     0.000 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.86437E-03 ppm1      0.949 ppm2      0.252 CV     1
 ASSI { 3153}
   (  segid "   A" and resid 178  and name HD1%)
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.19620E-02 ppm1      0.815 ppm2      0.262 CV     1
 OR { 3153}
   (  segid "   A" and resid 178  and name HD1%)
   (  segid "   A" and resid 119  and name HD1%)
 OR { 3153}
   (  segid "   A" and resid 170  and name HD1%)
   (  segid "   A" and resid 116  and name HG1%)
 ASSI { 3155}
   (  segid "   A" and resid 183  and name HG2%)
   (  segid "   A" and resid 119  and name HD1%)
      6.000     4.500     0.000 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.23934E-02 ppm1      0.948 ppm2      0.253 CV     1
 ASSI { 3157}
   (  segid "   A" and resid 143  and name HE% )
   (  segid "   A" and resid 119  and name HD1%)
      6.000     4.500     0.000 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.26020E-02 ppm1      1.268 ppm2      0.242 CV     1
 ASSI { 3158}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 119  and name HD1%)
      6.000     4.500     0.000 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.53694E-02 ppm1      0.484 ppm2      0.251 CV     1
 ASSI { 3159}
   (( segid "   A" and resid 255  and name HA  ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.19145E-02 ppm1      4.558 ppm2      0.234 CV     1
 ASSI { 3160}
   (( segid "   A" and resid 230  and name HA  ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.67704E-03 ppm1      5.047 ppm2      0.220 CV     1
 ASSI { 3161}
   (( segid "   A" and resid 226  and name HE1 ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.91161E-03 ppm1      2.842 ppm2      0.217 CV     1
 OR { 3161}
   (( segid "   A" and resid 226  and name HE2 ))
   (  segid "   A" and resid 255  and name HG2%)
 ASSI { 3163}
   (( segid "   A" and resid 230  and name HG1 ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.50926E-03 ppm1      2.569 ppm2      0.219 CV     1
 OR { 3163}
   (( segid "   A" and resid 230  and name HG2 ))
   (  segid "   A" and resid 255  and name HG2%)
 ASSI { 3165}
   (( segid "   A" and resid 235  and name HG12))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.61315E-03 ppm1      1.925 ppm2      0.227 CV     1
 ASSI { 3166}
   (( segid "   A" and resid 226  and name HD2 ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.54050E-03 ppm1      1.651 ppm2      0.225 CV     1
 OR { 3166}
   (( segid "   A" and resid 226  and name HD1 ))
   (  segid "   A" and resid 255  and name HG2%)
 ASSI { 3169}
   (( segid "   A" and resid 238  and name HB2 ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.57045E-03 ppm1      2.810 ppm2      0.226 CV     1
 ASSI { 3170}
   (( segid "   A" and resid 238  and name HB1 ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.49467E-03 ppm1      2.321 ppm2      0.218 CV     1
 ASSI { 3171}
   (( segid "   A" and resid 226  and name HG2 ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.55510E-03 ppm1      1.344 ppm2      0.223 CV     1
 OR { 3171}
   (( segid "   A" and resid 236  and name HG2 ))
   (  segid "   A" and resid 255  and name HG2%)
 OR { 3171}
   (( segid "   A" and resid 236  and name HG1 ))
   (  segid "   A" and resid 255  and name HG2%)
 ASSI { 3172}
   (  segid "   A" and resid 235  and name HG2%)
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.59034E-02 ppm1      0.572 ppm2      0.217 CV     1
 ASSI { 3173}
   (  segid "   A" and resid 211  and name HD1%)
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.24993E-02 ppm1      0.737 ppm2      0.215 CV     1
 ASSI { 3175}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.87043E-02 ppm1     -0.126 ppm2      0.217 CV     1
 ASSI { 3176}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.73595E-03 ppm1      4.163 ppm2      0.189 CV     1
 ASSI { 3177}
   (( segid "   A" and resid 257  and name HA  ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.60450E-03 ppm1      4.858 ppm2      0.204 CV     1
 ASSI { 3182}
   (  segid "   A" and resid 228  and name HG1%)
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.46083E-02 ppm1      0.983 ppm2      0.200 CV     1
 ASSI { 3183}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.11642E-02 ppm1      1.249 ppm2      0.195 CV     1
 ASSI { 3185}
   (( segid "   A" and resid 270  and name HG2 ))
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.61315E-03 ppm1      1.962 ppm2      0.173 CV     1
 ASSI { 3186}
   (( segid "   A" and resid 270  and name HB2 ))
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.55369E-03 ppm1      2.067 ppm2      0.176 CV     1
 ASSI { 3187}
   (( segid "   A" and resid 270  and name HB1 ))
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.69174E-03 ppm1      1.937 ppm2      0.182 CV     1
 ASSI { 3188}
   (  segid "   A" and resid 275  and name HD2%)
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.95745E-03 ppm1      0.968 ppm2      0.181 CV     1
 ASSI { 3189}
   (  segid "   A" and resid 280  and name HD1%)
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.34517E-02 ppm1      1.052 ppm2      0.181 CV     1
 ASSI { 3190}
   (  segid "   A" and resid 275  and name HD1%)
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.92545E-03 ppm1      1.044 ppm2      0.182 CV     1
 ASSI { 3195}
   (( segid "   A" and resid 141  and name HA  ))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.10886E-02 ppm1      4.581 ppm2      0.130 CV     1
 ASSI { 3196}
   (( segid "   A" and resid 160  and name HA  ))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.44538E-03 ppm1      5.116 ppm2      0.118 CV     1
 ASSI { 3197}
   (( segid "   A" and resid 138  and name HB  ))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.51553E-03 ppm1      1.636 ppm2      0.126 CV     1
 ASSI { 3201}
   (( segid "   A" and resid 138  and name HG11))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.46689E-03 ppm1      0.306 ppm2      0.117 CV     1
 ASSI { 3202}
   (( segid "   A" and resid 141  and name HG12))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3202 spectrum    1 weight  0.10000E+01 volume  0.97831E-03 ppm1      1.498 ppm2      0.110 CV     1
 ASSI { 3203}
   (( segid "   A" and resid 141  and name HG11))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.94631E-03 ppm1      0.831 ppm2      0.109 CV     1
 ASSI { 3204}
   (  segid "   A" and resid 114  and name HG1%)
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.43240E-02 ppm1      0.886 ppm2      0.119 CV     1
 ASSI { 3205}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.81649E-03 ppm1      1.339 ppm2      0.129 CV     1
 ASSI { 3206}
   (  segid "   A" and resid 138  and name HG2%)
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.78265E-02 ppm1      0.534 ppm2      0.116 CV     1
 OR { 3206}
   (  segid "   A" and resid 128  and name HG2%)
   (  segid "   A" and resid 158  and name HG1%)
 ASSI { 3207}
   (  segid "   A" and resid 138  and name HD1%)
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.58645E-02 ppm1      0.757 ppm2      0.123 CV     1
 ASSI { 3211}
   (( segid "   A" and resid 253  and name HA1 ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.96858E-03 ppm1      4.034 ppm2      0.085 CV     1
 ASSI { 3212}
   (( segid "   A" and resid 240  and name HB1 ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.62882E-03 ppm1      0.780 ppm2      0.090 CV     1
 ASSI { 3216}
   (( segid "   A" and resid 225  and name HG12))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  3216 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      1.524 ppm2      0.085 CV     1
 ASSI { 3218}
   (  segid "   A" and resid 240  and name HD1%)
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.11459E-01 ppm1     -0.085 ppm2      0.077 CV     1
 ASSI { 3220}
   (  segid "   A" and resid 216  and name HG2%)
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.58796E-02 ppm1      0.374 ppm2      0.084 CV     1
 ASSI { 3221}
   (  segid "   A" and resid 225  and name HG2%)
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.41295E-02 ppm1      0.615 ppm2      0.081 CV     1
 ASSI { 3222}
   (  segid "   A" and resid 225  and name HD1%)
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.23512E-02 ppm1      0.633 ppm2      0.083 CV     1
 ASSI { 3224}
   (( segid "   A" and resid 141  and name HA  ))
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.12302E-02 ppm1      4.581 ppm2      0.043 CV     1
 ASSI { 3225}
   (( segid "   A" and resid 257  and name HA  ))
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.75757E-03 ppm1      4.859 ppm2      0.048 CV     1
 ASSI { 3226}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak  3226 spectrum    1 weight  0.10000E+01 volume  0.51899E-03 ppm1      5.042 ppm2      0.032 CV     1
 ASSI { 3228}
   (( segid "   A" and resid 226  and name HE1 ))
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.57596E-03 ppm1      2.842 ppm2      0.026 CV     1
 OR { 3228}
   (( segid "   A" and resid 226  and name HE2 ))
   (( segid "   A" and resid 235  and name HG11))
 ASSI { 3229}
   (( segid "   A" and resid 235  and name HB  ))
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak  3229 spectrum    1 weight  0.10000E+01 volume  0.10353E-02 ppm1      1.615 ppm2      0.034 CV     1
 ASSI { 3230}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.57185E-03 ppm1      2.568 ppm2      0.042 CV     1
 OR { 3230}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 235  and name HG11))
 ASSI { 3233}
   (( segid "   A" and resid 235  and name HG12))
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.81649E-03 ppm1      1.926 ppm2      0.031 CV     1
 ASSI { 3234}
   (( segid "   A" and resid 141  and name HG11))
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.95604E-03 ppm1      0.833 ppm2      0.046 CV     1
 ASSI { 3235}
   (  segid "   A" and resid 156  and name HB% )
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      0.839 ppm2      0.037 CV     1
 ASSI { 3236}
   (  segid "   A" and resid 114  and name HG2%)
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.12183E-02 ppm1      0.919 ppm2      0.040 CV     1
 ASSI { 3237}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.99637E-03 ppm1      0.994 ppm2      0.033 CV     1
 ASSI { 3238}
   (  segid "   A" and resid 116  and name HG2%)
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.13934E-02 ppm1      0.713 ppm2      0.048 CV     1
 ASSI { 3240}
   (  segid "   A" and resid 114  and name HG1%)
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.42192E-02 ppm1      0.886 ppm2      0.042 CV     1
 ASSI { 3242}
   (  segid "   A" and resid 141  and name HG2%)
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3242 spectrum    1 weight  0.10000E+01 volume  0.47802E-02 ppm1      0.593 ppm2      0.034 CV     1
 ASSI { 3244}
   (  segid "   A" and resid 141  and name HD1%)
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.46689E-02 ppm1      0.742 ppm2      0.041 CV     1
 ASSI { 3245}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      0.483 ppm2      0.032 CV     1
 ASSI { 3253}
   (( segid "   A" and resid 221  and name HB1 ))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.67401E-03 ppm1      3.947 ppm2     -0.091 CV     1
 ASSI { 3255}
   (( segid "   A" and resid 240  and name HB1 ))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.99496E-03 ppm1      0.760 ppm2     -0.087 CV     1
 ASSI { 3258}
   (( segid "   A" and resid 225  and name HG12))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.96296E-03 ppm1      1.515 ppm2     -0.094 CV     1
 ASSI { 3259}
   (( segid "   A" and resid 225  and name HG11))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak  3259 spectrum    1 weight  0.10000E+01 volume  0.15523E-02 ppm1      1.044 ppm2     -0.102 CV     1
 ASSI { 3260}
   (  segid "   A" and resid 225  and name HD1%)
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.24442E-02 ppm1      0.633 ppm2     -0.100 CV     1
 ASSI { 3265}
   (( segid "   A" and resid 213  and name HB  ))
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      1.221 ppm2     -0.129 CV     1
 ASSI { 3266}
   (( segid "   A" and resid 255  and name HG12))
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.14756E-02 ppm1      0.564 ppm2     -0.125 CV     1
 ASSI { 3268}
   (  segid "   A" and resid 282  and name HG2%)
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      0.994 ppm2     -0.123 CV     1
 OR { 3268}
   (  segid "   A" and resid 282  and name HG1%)
   (  segid "   A" and resid 255  and name HD1%)
 ASSI { 3270}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.59974E-02 ppm1      0.405 ppm2     -0.126 CV     1
 ASSI { 3271}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.74968E-03 ppm1      1.250 ppm2     -0.118 CV     1
 ASSI { 3272}
   (  segid "   A" and resid 211  and name HG2%)
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  3272 spectrum    1 weight  0.10000E+01 volume  0.75065E-03 ppm1      0.958 ppm2     -0.128 CV     1
 ASSI { 3275}
   (  segid "   A" and resid 211  and name HD1%)
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  3275 spectrum    1 weight  0.10000E+01 volume  0.35403E-02 ppm1      0.736 ppm2     -0.126 CV     1
 ASSI { 3276}
   (  segid "   A" and resid 235  and name HD1%)
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  3276 spectrum    1 weight  0.10000E+01 volume  0.29674E-02 ppm1      0.677 ppm2     -0.126 CV     1
 ASSI { 3279}
   (( segid "   A" and resid 223  and name HB1 ))
   (( segid "   A" and resid 223  and name HA  ))
      6.000     4.500     0.000 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.39349E-02 ppm1      2.597 ppm2      4.360 CV     1
 ASSI { 3280}
   (( segid "   A" and resid 226  and name HG2 ))
   (( segid "   A" and resid 226  and name HE2 ))
      6.000     4.500     0.000 peak  3280 spectrum    1 weight  0.10000E+01 volume  0.17058E-02 ppm1      1.332 ppm2      2.837 CV     1
 OR { 3280}
   (( segid "   A" and resid 226  and name HG2 ))
   (( segid "   A" and resid 226  and name HE1 ))
 ASSI { 3287}
   (( segid "   A" and resid 273  and name HA  ))
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.20042E-02 ppm1      4.289 ppm2      2.964 CV     1
 ASSI { 3292}
   (( segid "   A" and resid 218  and name HG2 ))
   (( segid "   A" and resid 218  and name HB1 ))
      6.000     4.500     0.000 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.92156E-02 ppm1      2.107 ppm2      1.849 CV     1
 ASSI { 3293}
   (( segid "   A" and resid 218  and name HG1 ))
   (( segid "   A" and resid 218  and name HB1 ))
      6.000     4.500     0.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.81595E-02 ppm1      2.205 ppm2      1.849 CV     1
 ASSI { 3294}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 211  and name HG11))
      6.000     4.500     0.000 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.13177E-01 ppm1      0.734 ppm2      1.009 CV     1
 ASSI { 3304}
   (( segid "   A" and resid 201  and name HB2 ))
   (  segid "   A" and resid 201  and name HD2%)
      6.000     4.500     0.000 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.22182E-02 ppm1      2.133 ppm2      0.799 CV     1
 ASSI { 3305}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 206  and name HG1 ))
      6.000     4.500     0.000 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.29263E-01 ppm1      3.265 ppm2      1.988 CV     1
 OR { 3305}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 206  and name HG1 ))
 ASSI { 3307}
   (( segid "   A" and resid 108  and name HB1 ))
   (  segid "   A" and resid 108  and name HD2%)
      6.000     4.500     0.000 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.67055E-02 ppm1      1.794 ppm2      0.827 CV     1
 ASSI { 3308}
   (( segid "   A" and resid 108  and name HB2 ))
   (  segid "   A" and resid 108  and name HD2%)
      6.000     4.500     0.000 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.65401E-02 ppm1      1.476 ppm2      0.837 CV     1
 ASSI { 3311}
   (( segid "   A" and resid 123  and name HB1 ))
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.28614E-02 ppm1      1.375 ppm2      0.937 CV     1
 ASSI { 3312}
   (( segid "   A" and resid 123  and name HB2 ))
   (  segid "   A" and resid 123  and name HD1%)
      6.000     4.500     0.000 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.23869E-02 ppm1      1.931 ppm2      0.936 CV     1
 ASSI { 3316}
   (( segid "   A" and resid 128  and name HG12))
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.45305E-02 ppm1      1.204 ppm2      0.499 CV     1
 OR { 3316}
   (( segid "   A" and resid 128  and name HG11))
   (  segid "   A" and resid 128  and name HG2%)
 ASSI { 3317}
   (( segid "   A" and resid 129  and name HA  ))
   (( segid "   A" and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.31133E-02 ppm1      3.654 ppm2      1.923 CV     1
 ASSI { 3319}
   (( segid "   A" and resid 130  and name HB1 ))
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.13361E-01 ppm1      2.166 ppm2      4.051 CV     1
 OR { 3319}
   (( segid "   A" and resid 130  and name HB2 ))
   (( segid "   A" and resid 130  and name HA  ))
 ASSI { 3320}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 131  and name HA  ))
      6.000     4.500     0.000 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.20442E-01 ppm1      1.448 ppm2      4.189 CV     1
 ASSI { 3322}
   (( segid "   A" and resid 139  and name HB2 ))
   (( segid "   A" and resid 139  and name HA  ))
      6.000     4.500     0.000 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.28539E-02 ppm1      1.524 ppm2      4.311 CV     1
 ASSI { 3326}
   (( segid "   A" and resid 161  and name HA  ))
   (( segid "   A" and resid 161  and name HG1 ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.62331E-02 ppm1      4.197 ppm2      2.235 CV     1
 OR { 3326}
   (( segid "   A" and resid 161  and name HA  ))
   (( segid "   A" and resid 161  and name HG2 ))
 ASSI { 3328}
   (( segid "   A" and resid 172  and name HB2 ))
   (( segid "   A" and resid 172  and name HG1 ))
      6.000     4.500     0.000 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.48970E-02 ppm1      1.739 ppm2      2.378 CV     1
 ASSI { 3336}
   (( segid "   A" and resid 166  and name HA  ))
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.14204E-02 ppm1      3.633 ppm2      5.922 CV     1
 ASSI { 3337}
   (( segid "   A" and resid 177  and name HA  ))
   (( segid "   A" and resid 177  and name HG1 ))
      6.000     4.500     0.000 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.24874E-02 ppm1      4.578 ppm2      2.281 CV     1
 ASSI { 3339}
   (( segid "   A" and resid 201  and name HG  ))
   (  segid "   A" and resid 201  and name HD2%)
      6.000     4.500     0.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.88491E-02 ppm1      1.867 ppm2      0.810 CV     1
 ASSI { 3340}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 211  and name HB  ))
      6.000     4.500     0.000 peak  3340 spectrum    1 weight  0.10000E+01 volume  0.12399E-01 ppm1      0.950 ppm2      2.007 CV     1
 ASSI { 3342}
   (( segid "   A" and resid 224  and name HB2 ))
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.97410E-03 ppm1      2.511 ppm2      4.370 CV     1
 ASSI { 3344}
   (( segid "   A" and resid 233  and name HA2 ))
   (( segid "   A" and resid 233  and name HA1 ))
      6.000     4.500     0.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.46473E-02 ppm1      3.884 ppm2      4.515 CV     1
 ASSI { 3347}
   (( segid "   A" and resid 265  and name HA  ))
   (( segid "   A" and resid 268  and name HB2 ))
      6.000     4.500     0.000 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.37911E-02 ppm1      4.243 ppm2      3.937 CV     1
 ASSI { 3349}
   (( segid "   A" and resid 269  and name HA  ))
   (( segid "   A" and resid 269  and name HB1 ))
      6.000     4.500     0.000 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.35911E-02 ppm1      4.559 ppm2      3.692 CV     1
 ASSI { 3350}
   (( segid "   A" and resid 272  and name HG  ))
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.17847E-02 ppm1      1.513 ppm2      3.861 CV     1
 ASSI { 3352}
   (( segid "   A" and resid 280  and name HA  ))
   (( segid "   A" and resid 280  and name HG  ))
      6.000     4.500     0.000 peak  3352 spectrum    1 weight  0.10000E+01 volume  0.11340E-02 ppm1      4.479 ppm2      2.259 CV     1
 ASSI { 3353}
   (( segid "   A" and resid 213  and name HB  ))
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.10574E-02 ppm1      1.215 ppm2      0.615 CV     1
 ASSI { 3355}
   (( segid "   A" and resid 251  and name HA1 ))
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.78308E-03 ppm1      4.126 ppm2      7.413 CV     1
 ASSI { 3356}
   (( segid "   A" and resid 251  and name HA2 ))
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.75465E-03 ppm1      4.326 ppm2      7.413 CV     1
 ASSI { 3358}
   (( segid "   A" and resid 170  and name HA  ))
   (  segid "   A" and resid 170  and name HD2%)
      6.000     4.500     0.000 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.43575E-02 ppm1      3.734 ppm2      0.791 CV     1
 ASSI { 3367}
   (( segid "   A" and resid 118  and name HA  ))
   (( segid "   A" and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.13675E-02 ppm1      3.988 ppm2      4.332 CV     1
 ASSI { 3370}
   (( segid "   A" and resid 112  and name HB2 ))
   (( segid "   A" and resid 159  and name HG2 ))
      6.000     4.500     0.000 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.81551E-03 ppm1      3.061 ppm2      2.035 CV     1
 OR { 3370}
   (( segid "   A" and resid 112  and name HB2 ))
   (( segid "   A" and resid 159  and name HG1 ))
 ASSI { 3372}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.13329E-02 ppm1      0.539 ppm2      4.754 CV     1
 OR { 3372}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 156  and name HA  ))
 ASSI { 3373}
   (( segid "   A" and resid 258  and name HA  ))
   (( segid "   A" and resid 236  and name HE1 ))
      6.000     4.500     0.000 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.13794E-02 ppm1      4.080 ppm2      2.962 CV     1
 OR { 3373}
   (( segid "   A" and resid 258  and name HA  ))
   (( segid "   A" and resid 236  and name HE2 ))
 ASSI { 3374}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 236  and name HE1 ))
      6.000     4.500     0.000 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.19512E-02 ppm1      2.210 ppm2      2.970 CV     1
 OR { 3374}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 236  and name HE2 ))
 OR { 3374}
   (( segid "   A" and resid 171  and name HG1 ))
   (( segid "   A" and resid 174  and name HB2 ))
 OR { 3374}
   (( segid "   A" and resid 256  and name HG1 ))
   (( segid "   A" and resid 236  and name HE1 ))
 ASSI { 3375}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 236  and name HE1 ))
      6.000     4.500     0.000 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.14345E-02 ppm1      2.116 ppm2      2.970 CV     1
 OR { 3375}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 236  and name HE2 ))
 ASSI { 3376}
   (( segid "   A" and resid 156  and name HA  ))
   (( segid "   A" and resid 143  and name HG2 ))
      6.000     4.500     0.000 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.54818E-03 ppm1      4.762 ppm2      2.232 CV     1
 ASSI { 3377}
   (( segid "   A" and resid 197  and name HA  ))
   (( segid "   A" and resid 200  and name HB1 ))
      6.000     4.500     0.000 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.26096E-02 ppm1      3.880 ppm2      2.259 CV     1
 ASSI { 3379}
   (( segid "   A" and resid 287  and name HA  ))
   (( segid "   A" and resid 288  and name HB2 ))
      6.000     4.500     0.000 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.93659E-03 ppm1      4.651 ppm2      1.875 CV     1
 ASSI { 3380}
   (  segid "   A" and resid 285  and name HB% )
   (  segid "   A" and resid 254  and name HE% )
      6.000     4.500     0.000 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.37857E-02 ppm1      1.510 ppm2      7.333 CV     1
 ASSI {    2}
   (  segid "   A" and resid 157  and name HD% )
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.61778E-03 ppm1      7.222 ppm2      8.929 CV     1
 OR {    2}
   (  segid "   A" and resid 157  and name HD% )
   (( segid "   A" and resid 142  and name HN  ))
 ASSI {    3}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.72142E-03 ppm1      6.842 ppm2      8.813 CV     1
 ASSI {    4}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.73048E-03 ppm1      7.288 ppm2      8.813 CV     1
 OR {    4}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 253  and name HN  ))
 ASSI {    5}
   (  segid "   A" and resid 229  and name HD% )
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.21801E-02 ppm1      7.708 ppm2      8.364 CV     1
 ASSI {    6}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.22317E-02 ppm1      6.901 ppm2      7.990 CV     1
 ASSI {    7}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.37230E-02 ppm1      6.795 ppm2      7.709 CV     1
 ASSI {    8}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.56800E-03 ppm1      7.294 ppm2      7.649 CV     1
 ASSI {    9}
   (( segid "   A" and resid 145  and name HH2 ))
   (( segid "   A" and resid 145  and name HZ2 ))
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.56347E-02 ppm1      7.220 ppm2      7.473 CV     1
 ASSI {   10}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.74586E-03 ppm1      7.096 ppm2      7.456 CV     1
 ASSI {   11}
   (  segid "   A" and resid 115  and name HD% )
   (  segid "   A" and resid 157  and name HE% )
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.18714E-02 ppm1      6.414 ppm2      7.388 CV     1
 ASSI {   12}
   (  segid "   A" and resid 155  and name HD% )
   (  segid "   A" and resid 155  and name HE% )
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.66123E-02 ppm1      6.839 ppm2      7.394 CV     1
 ASSI {   13}
   (  segid "   A" and resid 157  and name HD% )
   (  segid "   A" and resid 157  and name HE% )
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.80651E-02 ppm1      7.222 ppm2      7.404 CV     1
 ASSI {   14}
   (  segid "   A" and resid 232  and name HE% )
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19746E-02 ppm1      7.078 ppm2      7.382 CV     1
 ASSI {   15}
   (( segid "   A" and resid 135  and name HZ  ))
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.29961E-02 ppm1      7.145 ppm2      7.381 CV     1
 ASSI {   16}
   (  segid "   A" and resid 115  and name HE% )
   (  segid "   A" and resid 157  and name HE% )
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.17017E-02 ppm1      6.256 ppm2      7.393 CV     1
 ASSI {   17}
   (( segid "   A" and resid 145  and name HZ3 ))
   (( segid "   A" and resid 145  and name HE3 ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.28798E-02 ppm1      7.110 ppm2      7.368 CV     1
 ASSI {   18}
   (  segid "   A" and resid 252  and name HE% )
   (  segid "   A" and resid 254  and name HE% )
      6.000     4.500     0.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.14342E-02 ppm1      6.834 ppm2      7.366 CV     1
 ASSI {   20}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.59334E-03 ppm1      7.993 ppm2      7.334 CV     1
 ASSI {   21}
   (  segid "   A" and resid 115  and name HD% )
   (  segid "   A" and resid 157  and name HD% )
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.71056E-03 ppm1      6.414 ppm2      7.227 CV     1
 ASSI {   23}
   (( segid "   A" and resid 145  and name HZ3 ))
   (( segid "   A" and resid 145  and name HH2 ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.40520E-02 ppm1      7.111 ppm2      7.212 CV     1
 ASSI {   25}
   (  segid "   A" and resid 273  and name HE% )
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.46254E-02 ppm1      6.955 ppm2      7.201 CV     1
 ASSI {   26}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.92916E-03 ppm1      6.838 ppm2      7.142 CV     1
 ASSI {   28}
   (  segid "   A" and resid 120  and name HE% )
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.18411E-01 ppm1      6.880 ppm2      7.115 CV     1
 ASSI {   29}
   (  segid "   A" and resid 121  and name HD% )
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.26544E-02 ppm1      6.819 ppm2      7.108 CV     1
 ASSI {   31}
   (  segid "   A" and resid 279  and name HE% )
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.67707E-01 ppm1      6.787 ppm2      7.013 CV     1
 ASSI {   32}
   (  segid "   A" and resid 257  and name HE% )
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.11577E-02 ppm1      6.686 ppm2      6.990 CV     1
 ASSI {   35}
   (( segid "   A" and resid 145  and name HH2 ))
   (( segid "   A" and resid 152  and name HD2 ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.49287E-03 ppm1      7.211 ppm2      6.898 CV     1
 ASSI {   37}
   (( segid "   A" and resid 145  and name HZ3 ))
   (( segid "   A" and resid 152  and name HD2 ))
      6.000     4.500     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.64675E-03 ppm1      7.117 ppm2      6.889 CV     1
 ASSI {   38}
   (  segid "   A" and resid 212  and name HE% )
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.67798E-03 ppm1      6.593 ppm2      6.847 CV     1
 ASSI {   39}
   (  segid "   A" and resid 115  and name HD% )
   (  segid "   A" and resid 155  and name HD% )
      6.000     4.500     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.10591E-02 ppm1      6.411 ppm2      6.835 CV     1
 ASSI {   40}
   (  segid "   A" and resid 254  and name HD% )
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.67707E-03 ppm1      7.281 ppm2      6.838 CV     1
 ASSI {   42}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.95632E-03 ppm1      6.335 ppm2      6.835 CV     1
 OR {   42}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 252  and name HD% )
 OR {   42}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 252  and name HE% )
 ASSI {   43}
   (  segid "   A" and resid 115  and name HE% )
   (  segid "   A" and resid 155  and name HD% )
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.22942E-02 ppm1      6.256 ppm2      6.832 CV     1
 ASSI {   48}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.10477E-02 ppm1      6.340 ppm2      6.594 CV     1
 ASSI {   49}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 135  and name HN  ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.81873E-03 ppm1      7.304 ppm2      6.570 CV     1
 ASSI {   50}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 212  and name HD% )
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.69608E-03 ppm1      6.337 ppm2      6.489 CV     1
 ASSI {   51}
   (  segid "   A" and resid 115  and name HE% )
   (  segid "   A" and resid 115  and name HD% )
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.16415E-01 ppm1      6.256 ppm2      6.415 CV     1
 ASSI {   52}
   (  segid "   A" and resid 160  and name HD% )
   (  segid "   A" and resid 160  and name HE% )
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.73862E-03 ppm1      6.829 ppm2      6.377 CV     1
 ASSI {   53}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.15741E-02 ppm1      6.840 ppm2      6.345 CV     1
 ASSI {   54}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.46526E-03 ppm1      6.836 ppm2      6.345 CV     1
 ASSI {   57}
   (  segid "   A" and resid 155  and name HD% )
   (  segid "   A" and resid 115  and name HE% )
      6.000     4.500     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.12215E-02 ppm1      6.836 ppm2      6.260 CV     1
 ASSI {   59}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.13596E-02 ppm1      7.289 ppm2      5.767 CV     1
 ASSI {   60}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.74496E-03 ppm1      6.845 ppm2      5.656 CV     1
 ASSI {   62}
   (  segid "   A" and resid 155  and name HD% )
   (( segid "   A" and resid 155  and name HA  ))
      6.000     4.500     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.10346E-02 ppm1      6.840 ppm2      5.573 CV     1
 ASSI {   63}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.46073E-03 ppm1      6.419 ppm2      5.494 CV     1
 ASSI {   64}
   (  segid "   A" and resid 157  and name HD% )
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.69336E-03 ppm1      7.217 ppm2      5.482 CV     1
 ASSI {   65}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.81104E-03 ppm1      7.100 ppm2      5.410 CV     1
 ASSI {   66}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.47522E-03 ppm1      6.414 ppm2      5.389 CV     1
 ASSI {   67}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.12559E-02 ppm1      6.829 ppm2      5.145 CV     1
 ASSI {   68}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.91513E-03 ppm1      6.826 ppm2      5.145 CV     1
 ASSI {   69}
   (( segid "   A" and resid 145  and name HE3 ))
   (( segid "   A" and resid 152  and name HA  ))
      6.000     4.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.65218E-03 ppm1      7.363 ppm2      5.045 CV     1
 ASSI {   70}
   (( segid "   A" and resid 152  and name HD2 ))
   (( segid "   A" and resid 152  and name HA  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.64403E-03 ppm1      6.893 ppm2      5.040 CV     1
 ASSI {   71}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 270  and name HA  ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.73048E-03 ppm1      7.207 ppm2      4.975 CV     1
 ASSI {   72}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.94093E-03 ppm1      6.990 ppm2      4.891 CV     1
 ASSI {   73}
   (  segid "   A" and resid 279  and name HD% )
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.42267E-02 ppm1      7.013 ppm2      4.847 CV     1
 ASSI {   74}
   (  segid "   A" and resid 279  and name HE% )
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.21674E-02 ppm1      6.787 ppm2      4.843 CV     1
 ASSI {   76}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 117  and name HA1 ))
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.52229E-03 ppm1      6.416 ppm2      4.801 CV     1
 ASSI {   77}
   (  segid "   A" and resid 155  and name HD% )
   (( segid "   A" and resid 117  and name HA1 ))
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.10758E-02 ppm1      6.841 ppm2      4.807 CV     1
 OR {   77}
   (  segid "   A" and resid 155  and name HD% )
   (( segid "   A" and resid 156  and name HA  ))
 ASSI {   78}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.14813E-02 ppm1      7.098 ppm2      4.792 CV     1
 ASSI {   79}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 117  and name HA1 ))
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.94455E-03 ppm1      6.258 ppm2      4.813 CV     1
 ASSI {   80}
   (( segid "   A" and resid 217  and name HE1 ))
   (( segid "   A" and resid 219  and name HA  ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.63045E-03 ppm1      7.809 ppm2      4.779 CV     1
 ASSI {   81}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.11378E-02 ppm1      7.985 ppm2      4.777 CV     1
 ASSI {   82}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.10219E-02 ppm1      7.386 ppm2      4.778 CV     1
 OR {   82}
   (  segid "   A" and resid 254  and name HE% )
   (( segid "   A" and resid 285  and name HA  ))
 ASSI {   83}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.88933E-03 ppm1      7.300 ppm2      4.775 CV     1
 ASSI {   84}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 212  and name HA  ))
      6.000     4.500     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.73500E-03 ppm1      7.283 ppm2      4.747 CV     1
 ASSI {   85}
   (( segid "   A" and resid 145  and name HD1 ))
   (( segid "   A" and resid 145  and name HA  ))
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11541E-02 ppm1      7.148 ppm2      4.627 CV     1
 ASSI {   86}
   (( segid "   A" and resid 145  and name HZ3 ))
   (( segid "   A" and resid 151  and name HA  ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.12052E-02 ppm1      7.110 ppm2      4.623 CV     1
 ASSI {   87}
   (( segid "   A" and resid 145  and name HE3 ))
   (( segid "   A" and resid 145  and name HA  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.22186E-02 ppm1      7.373 ppm2      4.628 CV     1
 OR {   87}
   (( segid "   A" and resid 145  and name HE3 ))
   (( segid "   A" and resid 151  and name HA  ))
 ASSI {   89}
   (( segid "   A" and resid 145  and name HH2 ))
   (( segid "   A" and resid 124  and name HA2 ))
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.74767E-03 ppm1      7.215 ppm2      4.551 CV     1
 ASSI {   90}
   (( segid "   A" and resid 145  and name HZ2 ))
   (( segid "   A" and resid 124  and name HA2 ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.49604E-03 ppm1      7.475 ppm2      4.558 CV     1
 ASSI {   91}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.21054E-02 ppm1      6.416 ppm2      4.513 CV     1
 ASSI {   93}
   (  segid "   A" and resid 208  and name HD% )
   (( segid "   A" and resid 208  and name HA  ))
      6.000     4.500     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.14795E-02 ppm1      7.426 ppm2      4.512 CV     1
 ASSI {   94}
   (  segid "   A" and resid 208  and name HE% )
   (( segid "   A" and resid 208  and name HA  ))
      6.000     4.500     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.15379E-02 ppm1      7.399 ppm2      4.517 CV     1
 ASSI {   95}
   (( segid "   A" and resid 145  and name HD1 ))
   (( segid "   A" and resid 144  and name HA  ))
      6.000     4.500     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.52636E-03 ppm1      7.152 ppm2      4.503 CV     1
 ASSI {   96}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.76532E-03 ppm1      6.256 ppm2      4.516 CV     1
 ASSI {   97}
   (  segid "   A" and resid 157  and name HD% )
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.87032E-03 ppm1      7.225 ppm2      4.489 CV     1
 ASSI {   98}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 215  and name HB1 ))
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.50192E-03 ppm1      7.144 ppm2      4.489 CV     1
 OR {   98}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 172  and name HA  ))
 OR {   98}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 280  and name HA  ))
 ASSI {   99}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 120  and name HA  ))
      6.000     4.500     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.30871E-02 ppm1      7.115 ppm2      4.458 CV     1
 ASSI {  100}
   (  segid "   A" and resid 120  and name HE% )
   (( segid "   A" and resid 120  and name HA  ))
      6.000     4.500     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.18149E-02 ppm1      6.880 ppm2      4.455 CV     1
 ASSI {  101}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 120  and name HA  ))
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.12016E-02 ppm1      6.815 ppm2      4.431 CV     1
 OR {  101}
   (  segid "   A" and resid 155  and name HD% )
   (( segid "   A" and resid 143  and name HA  ))
 ASSI {  104}
   (( segid "   A" and resid 249  and name HE1 ))
   (( segid "   A" and resid 251  and name HA2 ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.21597E-02 ppm1      7.458 ppm2      4.341 CV     1
 ASSI {  105}
   (  segid "   A" and resid 279  and name HD% )
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.51052E-02 ppm1      7.013 ppm2      4.344 CV     1
 ASSI {  106}
   (  segid "   A" and resid 279  and name HE% )
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.40982E-02 ppm1      6.787 ppm2      4.344 CV     1
 ASSI {  107}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 273  and name HA  ))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.15777E-02 ppm1      7.202 ppm2      4.325 CV     1
 ASSI {  108}
   (  segid "   A" and resid 232  and name HE% )
   (( segid "   A" and resid 232  and name HA  ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.66078E-03 ppm1      7.088 ppm2      4.280 CV     1
 ASSI {  109}
   (  segid "   A" and resid 232  and name HD% )
   (( segid "   A" and resid 232  and name HA  ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.17171E-02 ppm1      7.384 ppm2      4.268 CV     1
 ASSI {  111}
   (  segid "   A" and resid 229  and name HD% )
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      7.706 ppm2      4.211 CV     1
 ASSI {  112}
   (( segid "   A" and resid 249  and name HE1 ))
   (( segid "   A" and resid 251  and name HA1 ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.25635E-02 ppm1      7.459 ppm2      4.165 CV     1
 ASSI {  113}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 122  and name HA  ))
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.16786E-02 ppm1      6.823 ppm2      4.168 CV     1
 ASSI {  114}
   (  segid "   A" and resid 120  and name HE% )
   (( segid "   A" and resid 122  and name HA  ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.85856E-03 ppm1      6.873 ppm2      4.159 CV     1
 ASSI {  115}
   (  segid "   A" and resid 121  and name HE% )
   (( segid "   A" and resid 122  and name HA  ))
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      6.805 ppm2      4.158 CV     1
 ASSI {  116}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 136  and name HA2 ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.59696E-03 ppm1      6.837 ppm2      4.129 CV     1
 ASSI {  117}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.75673E-03 ppm1      6.996 ppm2      4.072 CV     1
 ASSI {  119}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 134  and name HA  ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.12252E-02 ppm1      7.386 ppm2      4.050 CV     1
 ASSI {  120}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 253  and name HA1 ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.66983E-03 ppm1      6.838 ppm2      4.047 CV     1
 OR {  120}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 134  and name HA  ))
 ASSI {  121}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 221  and name HB1 ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.45938E-03 ppm1      7.095 ppm2      3.974 CV     1
 ASSI {  122}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 136  and name HA1 ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.74134E-03 ppm1      6.833 ppm2      3.950 CV     1
 ASSI {  123}
   (  segid "   A" and resid 279  and name HD% )
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.19258E-02 ppm1      7.010 ppm2      3.916 CV     1
 ASSI {  124}
   (( segid "   A" and resid 145  and name HH2 ))
   (( segid "   A" and resid 150  and name HA  ))
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.92282E-03 ppm1      7.219 ppm2      3.931 CV     1
 OR {  124}
   (( segid "   A" and resid 145  and name HH2 ))
   (( segid "   A" and resid 124  and name HA1 ))
 ASSI {  125}
   (  segid "   A" and resid 279  and name HE% )
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12324E-02 ppm1      6.788 ppm2      3.921 CV     1
 ASSI {  126}
   (( segid "   A" and resid 145  and name HZ2 ))
   (( segid "   A" and resid 124  and name HA1 ))
      6.000     4.500     0.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.14415E-02 ppm1      7.476 ppm2      3.923 CV     1
 OR {  126}
   (( segid "   A" and resid 145  and name HZ2 ))
   (( segid "   A" and resid 150  and name HA  ))
 ASSI {  127}
   (  segid "   A" and resid 208  and name HD% )
   (( segid "   A" and resid 205  and name HA  ))
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.17379E-02 ppm1      7.424 ppm2      3.896 CV     1
 ASSI {  129}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 135  and name HA  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.95632E-03 ppm1      7.310 ppm2      3.898 CV     1
 ASSI {  130}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      7.068 ppm2      3.911 CV     1
 ASSI {  131}
   (  segid "   A" and resid 229  and name HD% )
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.68431E-03 ppm1      7.701 ppm2      3.865 CV     1
 ASSI {  133}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 263  and name HB1 ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.12976E-02 ppm1      6.984 ppm2      3.801 CV     1
 OR {  133}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 263  and name HB2 ))
 ASSI {  134}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.15650E-02 ppm1      7.991 ppm2      3.747 CV     1
 OR {  134}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 134  and name HD1 ))
 ASSI {  135}
   (  segid "   A" and resid 229  and name HD% )
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.53451E-03 ppm1      7.691 ppm2      3.698 CV     1
 ASSI {  136}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 134  and name HD1 ))
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.90608E-03 ppm1      7.392 ppm2      3.714 CV     1
 ASSI {  137}
   (  segid "   A" and resid 257  and name HE% )
   (( segid "   A" and resid 263  and name HA  ))
      6.000     4.500     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.61688E-03 ppm1      6.679 ppm2      3.714 CV     1
 ASSI {  138}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 165  and name HA  ))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.70875E-03 ppm1      7.380 ppm2      3.680 CV     1
 OR {  138}
   (  segid "   A" and resid 232  and name HD% )
   (( segid "   A" and resid 263  and name HA  ))
 OR {  138}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 166  and name HA  ))
 OR {  138}
   (  segid "   A" and resid 254  and name HE% )
   (( segid "   A" and resid 165  and name HA  ))
 ASSI {  139}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 276  and name HA2 ))
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.11360E-02 ppm1      7.066 ppm2      3.636 CV     1
 ASSI {  140}
   (( segid "   A" and resid 249  and name HE1 ))
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.24942E-02 ppm1      7.458 ppm2      3.662 CV     1
 ASSI {  141}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 121  and name HA  ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.29527E-02 ppm1      6.819 ppm2      3.663 CV     1
 ASSI {  142}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.53315E-03 ppm1      7.103 ppm2      3.659 CV     1
 ASSI {  143}
   (  segid "   A" and resid 121  and name HE% )
   (( segid "   A" and resid 121  and name HA  ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.90246E-03 ppm1      6.810 ppm2      3.665 CV     1
 ASSI {  146}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 257  and name HB2 ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.14175E-02 ppm1      6.987 ppm2      3.598 CV     1
 ASSI {  147}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 117  and name HA2 ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.49739E-03 ppm1      6.417 ppm2      3.557 CV     1
 ASSI {  148}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 132  and name HB2 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.19588E-02 ppm1      7.989 ppm2      3.562 CV     1
 ASSI {  149}
   (  segid "   A" and resid 232  and name HE% )
   (( segid "   A" and resid 269  and name HB2 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.56619E-03 ppm1      7.088 ppm2      3.551 CV     1
 ASSI {  150}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 117  and name HA2 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.12559E-02 ppm1      6.255 ppm2      3.556 CV     1
 ASSI {  151}
   (  segid "   A" and resid 155  and name HD% )
   (( segid "   A" and resid 117  and name HA2 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.99976E-03 ppm1      6.830 ppm2      3.547 CV     1
 OR {  151}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 132  and name HB2 ))
 ASSI {  152}
   (  segid "   A" and resid 132  and name HE% )
   (( segid "   A" and resid 132  and name HB2 ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.50237E-03 ppm1      6.910 ppm2      3.547 CV     1
 ASSI {  153}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 137  and name HD1 ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.95089E-03 ppm1      6.852 ppm2      3.519 CV     1
 ASSI {  154}
   (  segid "   A" and resid 229  and name HD% )
   (( segid "   A" and resid 229  and name HB1 ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.18846E-02 ppm1      7.708 ppm2      3.509 CV     1
 ASSI {  155}
   (  segid "   A" and resid 229  and name HE% )
   (( segid "   A" and resid 229  and name HB1 ))
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.65535E-03 ppm1      6.798 ppm2      3.506 CV     1
 OR {  155}
   (  segid "   A" and resid 229  and name HE% )
   (( segid "   A" and resid 267  and name HA  ))
 ASSI {  156}
   (  segid "   A" and resid 232  and name HD% )
   (( segid "   A" and resid 232  and name HB1 ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.16710E-02 ppm1      7.379 ppm2      3.484 CV     1
 ASSI {  157}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.88164E-03 ppm1      7.309 ppm2      3.478 CV     1
 ASSI {  159}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.15795E-02 ppm1      7.198 ppm2      3.346 CV     1
 ASSI {  160}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 249  and name HB1 ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.13125E-02 ppm1      7.095 ppm2      3.306 CV     1
 ASSI {  161}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 137  and name HD2 ))
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.66892E-03 ppm1      6.830 ppm2      3.224 CV     1
 ASSI {  162}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 160  and name HB1 ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.13234E-02 ppm1      6.834 ppm2      3.166 CV     1
 ASSI {  163}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.19049E-02 ppm1      7.112 ppm2      3.172 CV     1
 ASSI {  164}
   (  segid "   A" and resid 120  and name HE% )
   (( segid "   A" and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.12360E-02 ppm1      6.879 ppm2      3.169 CV     1
 ASSI {  165}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 134  and name HD2 ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.11288E-02 ppm1      7.381 ppm2      3.140 CV     1
 OR {  165}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 281  and name HD2 ))
 ASSI {  166}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 134  and name HD2 ))
      6.000     4.500     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.47657E-03 ppm1      7.320 ppm2      3.126 CV     1
 ASSI {  167}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 217  and name HB2 ))
      6.000     4.500     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.22652E-02 ppm1      7.066 ppm2      3.100 CV     1
 ASSI {  168}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.13867E-02 ppm1      6.848 ppm2      3.055 CV     1
 ASSI {  169}
   (  segid "   A" and resid 208  and name HD% )
   (( segid "   A" and resid 208  and name HB1 ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.17121E-02 ppm1      7.422 ppm2      3.042 CV     1
 ASSI {  170}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 181  and name HD2 ))
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.11613E-02 ppm1      7.115 ppm2      3.044 CV     1
 OR {  170}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 181  and name HD1 ))
 ASSI {  171}
   (( segid "   A" and resid 145  and name HD1 ))
   (( segid "   A" and resid 145  and name HB1 ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.36252E-02 ppm1      7.149 ppm2      3.057 CV     1
 ASSI {  172}
   (( segid "   A" and resid 145  and name HE3 ))
   (( segid "   A" and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.17483E-02 ppm1      7.371 ppm2      3.050 CV     1
 OR {  172}
   (( segid "   A" and resid 145  and name HE3 ))
   (( segid "   A" and resid 145  and name HB1 ))
 ASSI {  173}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.85584E-03 ppm1      6.830 ppm2      3.044 CV     1
 OR {  173}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 250  and name HE1 ))
 ASSI {  175}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.16429E-02 ppm1      7.202 ppm2      2.997 CV     1
 ASSI {  176}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.17352E-02 ppm1      6.254 ppm2      2.989 CV     1
 ASSI {  177}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.73319E-03 ppm1      6.414 ppm2      2.963 CV     1
 ASSI {  178}
   (  segid "   A" and resid 155  and name HD% )
   (( segid "   A" and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.27563E-02 ppm1      6.837 ppm2      2.981 CV     1
 ASSI {  180}
   (  segid "   A" and resid 208  and name HD% )
   (( segid "   A" and resid 208  and name HB2 ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.20154E-02 ppm1      7.421 ppm2      2.959 CV     1
 ASSI {  181}
   (  segid "   A" and resid 157  and name HD% )
   (( segid "   A" and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.14469E-02 ppm1      7.225 ppm2      2.947 CV     1
 ASSI {  182}
   (  segid "   A" and resid 157  and name HE% )
   (( segid "   A" and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.18226E-02 ppm1      7.406 ppm2      2.948 CV     1
 OR {  182}
   (  segid "   A" and resid 208  and name HE% )
   (( segid "   A" and resid 208  and name HB2 ))
 ASSI {  183}
   (( segid "   A" and resid 217  and name HE1 ))
   (( segid "   A" and resid 219  and name HB2 ))
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.17610E-02 ppm1      7.810 ppm2      2.916 CV     1
 ASSI {  184}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 262  and name HB2 ))
      6.000     4.500     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.89431E-03 ppm1      6.979 ppm2      2.867 CV     1
 ASSI {  185}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.16605E-02 ppm1      7.990 ppm2      2.883 CV     1
 ASSI {  186}
   (  segid "   A" and resid 229  and name HE% )
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.55442E-03 ppm1      6.799 ppm2      2.850 CV     1
 ASSI {  187}
   (  segid "   A" and resid 121  and name HE% )
   (( segid "   A" and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.16352E-02 ppm1      6.805 ppm2      2.842 CV     1
 ASSI {  188}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.52726E-02 ppm1      6.823 ppm2      2.823 CV     1
 ASSI {  189}
   (  segid "   A" and resid 229  and name HD% )
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16583E-02 ppm1      7.708 ppm2      2.839 CV     1
 ASSI {  190}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 217  and name HB1 ))
      6.000     4.500     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.16506E-02 ppm1      7.068 ppm2      2.823 CV     1
 ASSI {  191}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.72957E-03 ppm1      6.416 ppm2      2.782 CV     1
 OR {  191}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 157  and name HB2 ))
 ASSI {  192}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 254  and name HB2 ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.32138E-02 ppm1      7.287 ppm2      2.772 CV     1
 ASSI {  193}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.25562E-02 ppm1      7.115 ppm2      2.781 CV     1
 ASSI {  194}
   (  segid "   A" and resid 157  and name HD% )
   (( segid "   A" and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.15284E-02 ppm1      7.221 ppm2      2.768 CV     1
 ASSI {  195}
   (  segid "   A" and resid 120  and name HE% )
   (( segid "   A" and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.14976E-02 ppm1      6.881 ppm2      2.781 CV     1
 ASSI {  196}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.15248E-02 ppm1      6.257 ppm2      2.782 CV     1
 ASSI {  197}
   (( segid "   A" and resid 217  and name HE1 ))
   (( segid "   A" and resid 219  and name HB1 ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.25159E-02 ppm1      7.807 ppm2      2.745 CV     1
 ASSI {  198}
   (  segid "   A" and resid 279  and name HD% )
   (( segid "   A" and resid 279  and name HB2 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.34605E-02 ppm1      7.012 ppm2      2.762 CV     1
 ASSI {  199}
   (  segid "   A" and resid 232  and name HD% )
   (( segid "   A" and resid 232  and name HB2 ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.28214E-02 ppm1      7.382 ppm2      2.756 CV     1
 ASSI {  200}
   (  segid "   A" and resid 232  and name HE% )
   (( segid "   A" and resid 232  and name HB2 ))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.69608E-03 ppm1      7.085 ppm2      2.754 CV     1
 ASSI {  201}
   (  segid "   A" and resid 279  and name HE% )
   (( segid "   A" and resid 279  and name HB2 ))
      6.000     4.500     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.22213E-02 ppm1      6.789 ppm2      2.761 CV     1
 OR {  201}
   (  segid "   A" and resid 121  and name HE% )
   (( segid "   A" and resid 151  and name HE2 ))
 OR {  201}
   (  segid "   A" and resid 121  and name HE% )
   (( segid "   A" and resid 151  and name HE1 ))
 ASSI {  202}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.46481E-02 ppm1      6.820 ppm2      2.657 CV     1
 ASSI {  204}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.86761E-03 ppm1      7.294 ppm2      2.653 CV     1
 ASSI {  206}
   (  segid "   A" and resid 121  and name HE% )
   (( segid "   A" and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.17406E-02 ppm1      6.802 ppm2      2.661 CV     1
 ASSI {  207}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 249  and name HB2 ))
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.17072E-02 ppm1      7.096 ppm2      2.614 CV     1
 ASSI {  208}
   (  segid "   A" and resid 279  and name HD% )
   (( segid "   A" and resid 279  and name HB1 ))
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.35786E-02 ppm1      7.013 ppm2      2.547 CV     1
 ASSI {  209}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 250  and name HB2 ))
      6.000     4.500     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.84181E-03 ppm1      6.845 ppm2      2.479 CV     1
 ASSI {  210}
   (  segid "   A" and resid 279  and name HE% )
   (( segid "   A" and resid 274  and name HB2 ))
      6.000     4.500     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.38307E-02 ppm1      6.787 ppm2      2.495 CV     1
 ASSI {  211}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 250  and name HB2 ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.10269E-02 ppm1      6.831 ppm2      2.485 CV     1
 ASSI {  212}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.12867E-02 ppm1      6.257 ppm2      2.485 CV     1
 ASSI {  213}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.29305E-02 ppm1      6.421 ppm2      2.497 CV     1
 ASSI {  214}
   (  segid "   A" and resid 157  and name HD% )
   (( segid "   A" and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.75401E-03 ppm1      7.223 ppm2      2.480 CV     1
 ASSI {  215}
   (  segid "   A" and resid 232  and name HD% )
   (( segid "   A" and resid 266  and name HA  ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.19538E-02 ppm1      7.394 ppm2      2.412 CV     1
 OR {  215}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 169  and name HA  ))
 ASSI {  216}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 169  and name HA  ))
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.58610E-03 ppm1      7.307 ppm2      2.415 CV     1
 ASSI {  217}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 172  and name HB1 ))
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.96899E-03 ppm1      7.145 ppm2      2.405 CV     1
 OR {  217}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 169  and name HA  ))
 ASSI {  218}
   (( segid "   A" and resid 145  and name HZ2 ))
   (( segid "   A" and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.93821E-03 ppm1      7.472 ppm2      2.393 CV     1
 ASSI {  220}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 278  and name HG2 ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      7.067 ppm2      2.356 CV     1
 ASSI {  222}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 137  and name HG1 ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.84453E-03 ppm1      6.840 ppm2      2.334 CV     1
 OR {  222}
   (  segid "   A" and resid 155  and name HD% )
   (( segid "   A" and resid 143  and name HG1 ))
 OR {  222}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 111  and name HB1 ))
 ASSI {  224}
   (  segid "   A" and resid 208  and name HE% )
   (( segid "   A" and resid 204  and name HG1 ))
      6.000     4.500     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.17972E-02 ppm1      7.391 ppm2      2.320 CV     1
 ASSI {  225}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 137  and name HG1 ))
      6.000     4.500     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.17198E-02 ppm1      6.836 ppm2      2.325 CV     1
 ASSI {  226}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 280  and name HB2 ))
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.10477E-02 ppm1      7.204 ppm2      2.285 CV     1
 OR {  226}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 280  and name HG  ))
 ASSI {  228}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 161  and name HB2 ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.95767E-03 ppm1      6.837 ppm2      2.256 CV     1
 OR {  228}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 137  and name HG2 ))
 OR {  228}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 162  and name HB  ))
 OR {  228}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 161  and name HG1 ))
 OR {  228}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 161  and name HG2 ))
 ASSI {  229}
   (( segid "   A" and resid 145  and name HE3 ))
   (( segid "   A" and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.67345E-03 ppm1      7.365 ppm2      2.257 CV     1
 ASSI {  230}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.19923E-02 ppm1      7.066 ppm2      2.263 CV     1
 ASSI {  231}
   (( segid "   A" and resid 217  and name HE1 ))
   (( segid "   A" and resid 218  and name HG1 ))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.80696E-03 ppm1      7.807 ppm2      2.246 CV     1
 ASSI {  232}
   (  segid "   A" and resid 279  and name HD% )
   (( segid "   A" and resid 274  and name HB1 ))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.30034E-02 ppm1      7.013 ppm2      2.240 CV     1
 ASSI {  233}
   (  segid "   A" and resid 279  and name HE% )
   (( segid "   A" and resid 274  and name HB1 ))
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.49649E-02 ppm1      6.787 ppm2      2.239 CV     1
 ASSI {  234}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 137  and name HG2 ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.17456E-02 ppm1      6.836 ppm2      2.249 CV     1
 ASSI {  236}
   (( segid "   A" and resid 145  and name HH2 ))
   (( segid "   A" and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.76895E-03 ppm1      7.221 ppm2      2.221 CV     1
 ASSI {  237}
   (( segid "   A" and resid 145  and name HZ2 ))
   (( segid "   A" and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.15379E-02 ppm1      7.471 ppm2      2.228 CV     1
 OR {  237}
   (( segid "   A" and resid 145  and name HZ2 ))
   (( segid "   A" and resid 125  and name HG2 ))
 OR {  237}
   (( segid "   A" and resid 145  and name HZ2 ))
   (( segid "   A" and resid 150  and name HB1 ))
 ASSI {  238}
   (  segid "   A" and resid 208  and name HD% )
   (( segid "   A" and resid 204  and name HB2 ))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.12414E-02 ppm1      7.420 ppm2      2.193 CV     1
 OR {  238}
   (  segid "   A" and resid 208  and name HD% )
   (( segid "   A" and resid 256  and name HG2 ))
 OR {  238}
   (  segid "   A" and resid 208  and name HD% )
   (( segid "   A" and resid 256  and name HB1 ))
 ASSI {  239}
   (  segid "   A" and resid 120  and name HE% )
   (( segid "   A" and resid 122  and name HB2 ))
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.21131E-02 ppm1      6.879 ppm2      2.184 CV     1
 ASSI {  241}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 122  and name HB2 ))
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.91242E-03 ppm1      7.112 ppm2      2.175 CV     1
 ASSI {  242}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 278  and name HB2 ))
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.10758E-02 ppm1      7.063 ppm2      2.162 CV     1
 ASSI {  243}
   (( segid "   A" and resid 217  and name HE1 ))
   (( segid "   A" and resid 218  and name HG2 ))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.11758E-02 ppm1      7.806 ppm2      2.136 CV     1
 ASSI {  244}
   (  segid "   A" and resid 132  and name HE% )
   (( segid "   A" and resid 173  and name HB2 ))
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.58067E-03 ppm1      6.906 ppm2      2.139 CV     1
 ASSI {  245}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 228  and name HB  ))
      6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.82914E-03 ppm1      7.209 ppm2      2.114 CV     1
 OR {  245}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 270  and name HB2 ))
 ASSI {  246}
   (  segid "   A" and resid 229  and name HD% )
   (( segid "   A" and resid 228  and name HB  ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.14723E-02 ppm1      7.705 ppm2      2.108 CV     1
 OR {  246}
   (  segid "   A" and resid 229  and name HD% )
   (( segid "   A" and resid 270  and name HB2 ))
 ASSI {  247}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 114  and name HB  ))
      6.000     4.500     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.63679E-03 ppm1      6.414 ppm2      2.093 CV     1
 ASSI {  250}
   (  segid "   A" and resid 208  and name HE% )
   (( segid "   A" and resid 288  and name HB1 ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      7.398 ppm2      2.062 CV     1
 OR {  250}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 134  and name HB2 ))
 ASSI {  251}
   (( segid "   A" and resid 145  and name HZ2 ))
   (  segid "   A" and resid 150  and name HE% )
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.68612E-03 ppm1      7.477 ppm2      2.023 CV     1
 ASSI {  253}
   (  segid "   A" and resid 229  and name HE% )
   (( segid "   A" and resid 270  and name HG2 ))
      6.000     4.500     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.13704E-02 ppm1      6.795 ppm2      1.977 CV     1
 ASSI {  254}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.97035E-03 ppm1      7.065 ppm2      1.971 CV     1
 ASSI {  255}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.72052E-03 ppm1      7.980 ppm2      1.941 CV     1
 OR {  255}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 138  and name HG12))
 OR {  255}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 129  and name HB2 ))
 ASSI {  256}
   (( segid "   A" and resid 229  and name HZ  ))
   (( segid "   A" and resid 270  and name HB1 ))
      6.000     4.500     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.60058E-03 ppm1      6.891 ppm2      1.953 CV     1
 ASSI {  257}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.62050E-03 ppm1      7.999 ppm2      1.916 CV     1
 OR {  257}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 138  and name HG12))
 OR {  257}
   (  segid "   A" and resid 132  and name HD% )
   (( segid "   A" and resid 129  and name HB1 ))
 ASSI {  258}
   (  segid "   A" and resid 208  and name HE% )
   (( segid "   A" and resid 288  and name HB2 ))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.26033E-02 ppm1      7.395 ppm2      1.916 CV     1
 OR {  258}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 173  and name HB1 ))
 ASSI {  259}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 168  and name HG  ))
      6.000     4.500     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.11251E-02 ppm1      7.300 ppm2      1.924 CV     1
 OR {  259}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 173  and name HB1 ))
 ASSI {  260}
   (  segid "   A" and resid 132  and name HE% )
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.97532E-03 ppm1      6.904 ppm2      1.929 CV     1
 ASSI {  261}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.96129E-03 ppm1      7.144 ppm2      1.935 CV     1
 OR {  261}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 168  and name HG  ))
 ASSI {  262}
   (( segid "   A" and resid 217  and name HE1 ))
   (( segid "   A" and resid 218  and name HB1 ))
      6.000     4.500     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.77981E-03 ppm1      7.811 ppm2      1.891 CV     1
 ASSI {  264}
   (( segid "   A" and resid 249  and name HE1 ))
   (( segid "   A" and resid 218  and name HB2 ))
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.77619E-03 ppm1      7.463 ppm2      1.842 CV     1
 ASSI {  265}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 122  and name HG1 ))
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.15266E-02 ppm1      6.817 ppm2      1.844 CV     1
 ASSI {  266}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 123  and name HG  ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.18742E-02 ppm1      7.116 ppm2      1.853 CV     1
 OR {  266}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 122  and name HG1 ))
 ASSI {  267}
   (  segid "   A" and resid 120  and name HE% )
   (( segid "   A" and resid 122  and name HG1 ))
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      6.880 ppm2      1.841 CV     1
 ASSI {  268}
   (  segid "   A" and resid 121  and name HE% )
   (( segid "   A" and resid 122  and name HG1 ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.15940E-02 ppm1      6.802 ppm2      1.839 CV     1
 ASSI {  269}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 250  and name HD2 ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.10849E-02 ppm1      6.834 ppm2      1.846 CV     1
 ASSI {  270}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      7.306 ppm2      1.797 CV     1
 OR {  270}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 281  and name HB2 ))
 OR {  270}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 281  and name HB1 ))
 ASSI {  272}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 184  and name HB2 ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.90246E-03 ppm1      6.416 ppm2      1.769 CV     1
 ASSI {  273}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.25381E-02 ppm1      7.392 ppm2      1.789 CV     1
 OR {  273}
   (  segid "   A" and resid 208  and name HE% )
   (( segid "   A" and resid 288  and name HG2 ))
 OR {  273}
   (  segid "   A" and resid 135  and name HE% )
   (( segid "   A" and resid 134  and name HG2 ))
 ASSI {  274}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.13324E-02 ppm1      7.142 ppm2      1.787 CV     1
 OR {  274}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 281  and name HB2 ))
 ASSI {  275}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 250  and name HD1 ))
      6.000     4.500     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.92690E-03 ppm1      6.835 ppm2      1.783 CV     1
 ASSI {  276}
   (  segid "   A" and resid 120  and name HE% )
   (( segid "   A" and resid 122  and name HG2 ))
      6.000     4.500     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.21697E-02 ppm1      6.883 ppm2      1.764 CV     1
 ASSI {  277}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 184  and name HB2 ))
      6.000     4.500     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.18072E-02 ppm1      6.254 ppm2      1.760 CV     1
 ASSI {  278}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 122  and name HG2 ))
      6.000     4.500     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.14867E-02 ppm1      6.818 ppm2      1.725 CV     1
 ASSI {  279}
   (( segid "   A" and resid 145  and name HD1 ))
   (( segid "   A" and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.67164E-03 ppm1      7.152 ppm2      1.670 CV     1
 OR {  279}
   (( segid "   A" and resid 145  and name HD1 ))
   (( segid "   A" and resid 143  and name HB1 ))
 ASSI {  280}
   (  segid "   A" and resid 229  and name HE% )
   (( segid "   A" and resid 270  and name HG1 ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.62321E-03 ppm1      6.790 ppm2      1.656 CV     1
 ASSI {  281}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.55125E-03 ppm1      7.066 ppm2      1.622 CV     1
 ASSI {  282}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 184  and name HB1 ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.87395E-03 ppm1      6.256 ppm2      1.624 CV     1
 ASSI {  283}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 184  and name HB1 ))
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.55261E-03 ppm1      6.419 ppm2      1.614 CV     1
 ASSI {  284}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.68431E-03 ppm1      7.194 ppm2      1.599 CV     1
 ASSI {  285}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 122  and name HB1 ))
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.17918E-02 ppm1      7.116 ppm2      1.574 CV     1
 OR {  285}
   (  segid "   A" and resid 120  and name HD% )
   (( segid "   A" and resid 181  and name HG2 ))
 ASSI {  286}
   (  segid "   A" and resid 120  and name HE% )
   (( segid "   A" and resid 122  and name HB1 ))
      6.000     4.500     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.37126E-02 ppm1      6.880 ppm2      1.576 CV     1
 ASSI {  287}
   (  segid "   A" and resid 279  and name HD% )
   (( segid "   A" and resid 272  and name HB1 ))
      6.000     4.500     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.15669E-02 ppm1      7.012 ppm2      1.561 CV     1
 ASSI {  288}
   (  segid "   A" and resid 135  and name HD% )
   (( segid "   A" and resid 168  and name HB1 ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.11360E-02 ppm1      7.310 ppm2      1.556 CV     1
 ASSI {  289}
   (  segid "   A" and resid 121  and name HE% )
   (( segid "   A" and resid 122  and name HB1 ))
      6.000     4.500     0.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.12939E-02 ppm1      6.790 ppm2      1.570 CV     1
 OR {  289}
   (  segid "   A" and resid 279  and name HE% )
   (( segid "   A" and resid 272  and name HB1 ))
 ASSI {  290}
   (  segid "   A" and resid 254  and name HD% )
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.17149E-02 ppm1      7.287 ppm2      1.535 CV     1
 ASSI {  291}
   (  segid "   A" and resid 254  and name HE% )
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.14723E-02 ppm1      7.370 ppm2      1.538 CV     1
 ASSI {  294}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 275  and name HB1 ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.17995E-02 ppm1      7.203 ppm2      1.482 CV     1
 ASSI {  295}
   (  segid "   A" and resid 160  and name HD% )
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.19823E-02 ppm1      6.834 ppm2      1.487 CV     1
 ASSI {  296}
   (  segid "   A" and resid 273  and name HE% )
   (( segid "   A" and resid 275  and name HB1 ))
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.27051E-02 ppm1      6.954 ppm2      1.488 CV     1
 ASSI {  297}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 240  and name HB2 ))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.50192E-03 ppm1      7.105 ppm2      1.484 CV     1
 ASSI {  298}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 184  and name HG1 ))
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.85358E-03 ppm1      6.256 ppm2      1.474 CV     1
 ASSI {  299}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 184  and name HG1 ))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.47476E-03 ppm1      6.425 ppm2      1.468 CV     1
 ASSI {  300}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 131  and name HB% )
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.31450E-02 ppm1      7.991 ppm2      1.467 CV     1
 ASSI {  301}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 151  and name HB1 ))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.19488E-02 ppm1      6.821 ppm2      1.417 CV     1
 OR {  301}
   (  segid "   A" and resid 121  and name HD% )
   (( segid "   A" and resid 151  and name HD1 ))
 OR {  301}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 139  and name HB1 ))
 OR {  301}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 113  and name HG1 ))
 ASSI {  302}
   (  segid "   A" and resid 135  and name HE% )
   (  segid "   A" and resid 173  and name HE% )
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.20362E-02 ppm1      7.390 ppm2      1.417 CV     1
 ASSI {  303}
   (( segid "   A" and resid 135  and name HZ  ))
   (  segid "   A" and resid 173  and name HE% )
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.79701E-03 ppm1      7.143 ppm2      1.424 CV     1
 ASSI {  304}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 169  and name HB% )
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.30943E-02 ppm1      7.989 ppm2      1.390 CV     1
 OR {  304}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 173  and name HE% )
 ASSI {  305}
   (  segid "   A" and resid 135  and name HD% )
   (  segid "   A" and resid 169  and name HB% )
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.94093E-03 ppm1      7.306 ppm2      1.390 CV     1
 ASSI {  306}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 173  and name HE% )
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.18380E-02 ppm1      6.896 ppm2      1.391 CV     1
 ASSI {  307}
   (  segid "   A" and resid 252  and name HE% )
   (( segid "   A" and resid 250  and name HB1 ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.12867E-02 ppm1      6.837 ppm2      1.394 CV     1
 ASSI {  308}
   (  segid "   A" and resid 115  and name HE% )
   (( segid "   A" and resid 184  and name HG2 ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.87123E-03 ppm1      6.255 ppm2      1.395 CV     1
 ASSI {  309}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 250  and name HB1 ))
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.13614E-02 ppm1      6.843 ppm2      1.361 CV     1
 ASSI {  311}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 242  and name HG2 ))
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.58338E-03 ppm1      7.098 ppm2      1.366 CV     1
 OR {  311}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 242  and name HB2 ))
 OR {  311}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 248  and name HG2 ))
 OR {  311}
   (( segid "   A" and resid 249  and name HD2 ))
   (( segid "   A" and resid 248  and name HG1 ))
 ASSI {  312}
   (( segid "   A" and resid 249  and name HE1 ))
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      7.455 ppm2      1.310 CV     1
 ASSI {  313}
   (( segid "   A" and resid 145  and name HH2 ))
   (  segid "   A" and resid 143  and name HE% )
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.46073E-03 ppm1      7.228 ppm2      1.304 CV     1
 ASSI {  314}
   (  segid "   A" and resid 212  and name HE% )
   (  segid "   A" and resid 214  and name HB% )
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.63498E-03 ppm1      6.593 ppm2      1.318 CV     1
 ASSI {  315}
   (( segid "   A" and resid 145  and name HZ2 ))
   (  segid "   A" and resid 143  and name HE% )
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.82914E-03 ppm1      7.481 ppm2      1.302 CV     1
 ASSI {  317}
   (  segid "   A" and resid 257  and name HD% )
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.78071E-03 ppm1      6.982 ppm2      1.285 CV     1
 ASSI {  318}
   (  segid "   A" and resid 229  and name HE% )
   (( segid "   A" and resid 255  and name HB  ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.16814E-02 ppm1      6.792 ppm2      1.280 CV     1
 OR {  318}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 266  and name HB% )
 ASSI {  319}
   (( segid "   A" and resid 152  and name HD2 ))
   (  segid "   A" and resid 143  and name HE% )
      6.000     4.500     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.13523E-02 ppm1      6.892 ppm2      1.296 CV     1
 ASSI {  321}
   (  segid "   A" and resid 257  and name HE% )
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.98573E-03 ppm1      6.684 ppm2      1.281 CV     1
 ASSI {  322}
   (( segid "   A" and resid 152  and name HE1 ))
   (( segid "   A" and resid 119  and name HG11))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.60692E-03 ppm1      7.310 ppm2      1.258 CV     1
 OR {  322}
   (( segid "   A" and resid 152  and name HE1 ))
   (( segid "   A" and resid 128  and name HG11))
 ASSI {  324}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.21312E-02 ppm1      7.706 ppm2      1.276 CV     1
 ASSI {  325}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 211  and name HG12))
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.50192E-03 ppm1      7.276 ppm2      1.257 CV     1
 OR {  325}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 255  and name HB  ))
 OR {  325}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 213  and name HB  ))
 ASSI {  326}
   (  segid "   A" and resid 257  and name HE% )
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.84045E-03 ppm1      6.695 ppm2      1.274 CV     1
 OR {  326}
   (  segid "   A" and resid 257  and name HE% )
   (( segid "   A" and resid 255  and name HB  ))
 ASSI {  327}
   (  segid "   A" and resid 254  and name HD% )
   (  segid "   A" and resid 239  and name HG2%)
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.61235E-03 ppm1      7.287 ppm2      1.189 CV     1
 ASSI {  328}
   (  segid "   A" and resid 208  and name HE% )
   (  segid "   A" and resid 207  and name HB% )
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.23598E-02 ppm1      7.396 ppm2      1.181 CV     1
 ASSI {  329}
   (( segid "   A" and resid 152  and name HE1 ))
   (( segid "   A" and resid 119  and name HB  ))
      6.000     4.500     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.76397E-03 ppm1      7.310 ppm2      1.159 CV     1
 ASSI {  330}
   (  segid "   A" and resid 208  and name HD% )
   (  segid "   A" and resid 207  and name HB% )
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.25272E-02 ppm1      7.422 ppm2      1.172 CV     1
 ASSI {  332}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 255  and name HG11))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.89839E-03 ppm1      7.288 ppm2      1.094 CV     1
 OR {  332}
   (  segid "   A" and resid 254  and name HD% )
   (  segid "   A" and resid 162  and name HG1%)
 ASSI {  333}
   (  segid "   A" and resid 252  and name HE% )
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.13433E-02 ppm1      6.836 ppm2      1.089 CV     1
 ASSI {  334}
   (  segid "   A" and resid 273  and name HD% )
   (  segid "   A" and resid 280  and name HD1%)
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.27490E-02 ppm1      7.201 ppm2      1.072 CV     1
 ASSI {  335}
   (  segid "   A" and resid 273  and name HE% )
   (  segid "   A" and resid 275  and name HD1%)
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.20697E-02 ppm1      6.957 ppm2      1.060 CV     1
 OR {  335}
   (  segid "   A" and resid 273  and name HE% )
   (  segid "   A" and resid 280  and name HD1%)
 ASSI {  336}
   (  segid "   A" and resid 212  and name HD% )
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.61597E-03 ppm1      6.480 ppm2      1.044 CV     1
 ASSI {  339}
   (  segid "   A" and resid 135  and name HD% )
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.11306E-02 ppm1      7.305 ppm2      1.044 CV     1
 ASSI {  340}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.67526E-03 ppm1      6.332 ppm2      1.047 CV     1
 ASSI {  341}
   (  segid "   A" and resid 212  and name HE% )
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.73862E-03 ppm1      6.595 ppm2      1.045 CV     1
 ASSI {  342}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 185  and name HG1%)
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.11577E-02 ppm1      7.993 ppm2      1.016 CV     1
 OR {  342}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 185  and name HG2%)
 OR {  342}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 168  and name HD2%)
 ASSI {  343}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 228  and name HG1%)
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.24544E-02 ppm1      7.708 ppm2      1.018 CV     1
 OR {  343}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 282  and name HG2%)
 OR {  343}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 282  and name HG1%)
 OR {  343}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 267  and name HG1%)
 ASSI {  344}
   (  segid "   A" and resid 229  and name HE% )
   (( segid "   A" and resid 211  and name HG11))
      6.000     4.500     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.41443E-02 ppm1      6.794 ppm2      1.025 CV     1
 OR {  344}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 282  and name HG2%)
 OR {  344}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 282  and name HG1%)
 ASSI {  345}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.26218E-02 ppm1      6.902 ppm2      1.018 CV     1
 OR {  345}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 185  and name HG1%)
 ASSI {  346}
   (( segid "   A" and resid 135  and name HZ  ))
   (( segid "   A" and resid 281  and name HG2 ))
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.45440E-03 ppm1      7.145 ppm2      1.020 CV     1
 OR {  346}
   (( segid "   A" and resid 135  and name HZ  ))
   (  segid "   A" and resid 176  and name HG1%)
 ASSI {  347}
   (( segid "   A" and resid 229  and name HZ  ))
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.21570E-02 ppm1      6.891 ppm2      1.021 CV     1
 OR {  347}
   (( segid "   A" and resid 229  and name HZ  ))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI {  348}
   (  segid "   A" and resid 257  and name HD% )
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.10360E-02 ppm1      6.983 ppm2      0.996 CV     1
 ASSI {  349}
   (  segid "   A" and resid 257  and name HE% )
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.72142E-03 ppm1      6.696 ppm2      0.995 CV     1
 ASSI {  350}
   (  segid "   A" and resid 120  and name HD% )
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.25888E-02 ppm1      7.113 ppm2      0.972 CV     1
 OR {  350}
   (  segid "   A" and resid 120  and name HD% )
   (  segid "   A" and resid 123  and name HD1%)
 ASSI {  351}
   (  segid "   A" and resid 232  and name HE% )
   (  segid "   A" and resid 231  and name HB% )
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.90879E-03 ppm1      7.090 ppm2      0.962 CV     1
 ASSI {  352}
   (  segid "   A" and resid 120  and name HE% )
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.15596E-02 ppm1      6.880 ppm2      0.967 CV     1
 OR {  352}
   (  segid "   A" and resid 120  and name HE% )
   (  segid "   A" and resid 123  and name HD1%)
 ASSI {  353}
   (( segid "   A" and resid 249  and name HE1 ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.57343E-03 ppm1      7.452 ppm2      0.946 CV     1
 ASSI {  354}
   (  segid "   A" and resid 232  and name HD% )
   (  segid "   A" and resid 231  and name HB% )
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.16786E-02 ppm1      7.388 ppm2      0.941 CV     1
 ASSI {  357}
   (  segid "   A" and resid 212  and name HD% )
   (  segid "   A" and resid 168  and name HD1%)
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.46345E-03 ppm1      6.493 ppm2      0.920 CV     1
 ASSI {  358}
   (  segid "   A" and resid 135  and name HD% )
   (  segid "   A" and resid 168  and name HD1%)
      6.000     4.500     0.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10563E-02 ppm1      7.307 ppm2      0.932 CV     1
 ASSI {  359}
   (  segid "   A" and resid 273  and name HE% )
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.19335E-02 ppm1      6.952 ppm2      0.923 CV     1
 ASSI {  360}
   (( segid "   A" and resid 135  and name HZ  ))
   (  segid "   A" and resid 168  and name HD1%)
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.63951E-03 ppm1      7.132 ppm2      0.920 CV     1
 OR {  360}
   (( segid "   A" and resid 135  and name HZ  ))
   (  segid "   A" and resid 176  and name HG2%)
 OR {  360}
   (( segid "   A" and resid 135  and name HZ  ))
   (  segid "   A" and resid 183  and name HD1%)
 ASSI {  361}
   (( segid "   A" and resid 217  and name HD2 ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.84679E-03 ppm1      7.067 ppm2      0.934 CV     1
 ASSI {  362}
   (  segid "   A" and resid 212  and name HE% )
   (  segid "   A" and resid 168  and name HD1%)
      6.000     4.500     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.54854E-03 ppm1      6.590 ppm2      0.925 CV     1
 ASSI {  363}
   (  segid "   A" and resid 273  and name HD% )
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.19153E-02 ppm1      7.203 ppm2      0.909 CV     1
 ASSI {  364}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.24797E-02 ppm1      6.902 ppm2      0.910 CV     1
 OR {  364}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 183  and name HD1%)
 ASSI {  365}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 183  and name HD1%)
      6.000     4.500     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.19384E-02 ppm1      7.989 ppm2      0.878 CV     1
 OR {  365}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 156  and name HB% )
 ASSI {  366}
   (  segid "   A" and resid 157  and name HD% )
   (  segid "   A" and resid 156  and name HB% )
      6.000     4.500     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.60692E-03 ppm1      7.224 ppm2      0.885 CV     1
 ASSI {  367}
   (  segid "   A" and resid 279  and name HD% )
   (  segid "   A" and resid 272  and name HD1%)
      6.000     4.500     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      7.013 ppm2      0.831 CV     1
 ASSI {  368}
   (  segid "   A" and resid 254  and name HD% )
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.61597E-03 ppm1      7.286 ppm2      0.820 CV     1
 OR {  368}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 164  and name HB2 ))
 ASSI {  369}
   (  segid "   A" and resid 279  and name HE% )
   (  segid "   A" and resid 272  and name HD1%)
      6.000     4.500     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.14342E-02 ppm1      6.790 ppm2      0.820 CV     1
 ASSI {  370}
   (  segid "   A" and resid 252  and name HD% )
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.23272E-02 ppm1      6.840 ppm2      0.807 CV     1
 ASSI {  371}
   (  segid "   A" and resid 252  and name HE% )
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.33577E-02 ppm1      6.836 ppm2      0.808 CV     1
 OR {  371}
   (  segid "   A" and resid 252  and name HE% )
   (  segid "   A" and resid 162  and name HG2%)
 ASSI {  372}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 164  and name HB1 ))
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.74405E-03 ppm1      6.331 ppm2      0.799 CV     1
 OR {  372}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 162  and name HG2%)
 ASSI {  373}
   (  segid "   A" and resid 212  and name HE% )
   (( segid "   A" and resid 164  and name HB2 ))
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.58610E-03 ppm1      6.603 ppm2      0.806 CV     1
 OR {  373}
   (  segid "   A" and resid 212  and name HE% )
   (( segid "   A" and resid 164  and name HB1 ))
 ASSI {  374}
   (  segid "   A" and resid 257  and name HD% )
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.77619E-03 ppm1      6.997 ppm2      0.751 CV     1
 ASSI {  375}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.15542E-02 ppm1      6.793 ppm2      0.757 CV     1
 ASSI {  376}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 116  and name HG2%)
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.15596E-02 ppm1      6.901 ppm2      0.755 CV     1
 ASSI {  377}
   (  segid "   A" and resid 257  and name HE% )
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.10500E-02 ppm1      6.697 ppm2      0.750 CV     1
 ASSI {  378}
   (( segid "   A" and resid 152  and name HE1 ))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.16171E-02 ppm1      7.308 ppm2      0.725 CV     1
 ASSI {  379}
   (  segid "   A" and resid 279  and name HD% )
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.25707E-02 ppm1      7.012 ppm2      0.732 CV     1
 ASSI {  380}
   (  segid "   A" and resid 120  and name HD% )
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.52953E-03 ppm1      7.114 ppm2      0.728 CV     1
 ASSI {  381}
   (( segid "   A" and resid 217  and name HD2 ))
   (  segid "   A" and resid 220  and name HD1%)
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.79067E-03 ppm1      7.062 ppm2      0.723 CV     1
 ASSI {  382}
   (  segid "   A" and resid 279  and name HE% )
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.16221E-02 ppm1      6.788 ppm2      0.734 CV     1
 ASSI {  383}
   (( segid "   A" and resid 249  and name HE1 ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.31233E-02 ppm1      7.459 ppm2      0.698 CV     1
 ASSI {  385}
   (( segid "   A" and resid 249  and name HD2 ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.58157E-03 ppm1      7.089 ppm2      0.716 CV     1
 ASSI {  386}
   (  segid "   A" and resid 252  and name HD% )
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.14085E-02 ppm1      6.837 ppm2      0.684 CV     1
 OR {  386}
   (  segid "   A" and resid 252  and name HD% )
   (  segid "   A" and resid 216  and name HG1%)
 ASSI {  387}
   (  segid "   A" and resid 160  and name HD% )
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.11668E-02 ppm1      6.834 ppm2      0.680 CV     1
 ASSI {  388}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.33935E-02 ppm1      7.709 ppm2      0.654 CV     1
 ASSI {  389}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.21828E-02 ppm1      6.793 ppm2      0.655 CV     1
 ASSI {  390}
   (  segid "   A" and resid 257  and name HD% )
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.44670E-03 ppm1      6.981 ppm2      0.619 CV     1
 OR {  390}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 255  and name HG12))
 ASSI {  392}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.27997E-02 ppm1      7.991 ppm2      0.558 CV     1
 ASSI {  393}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.11541E-02 ppm1      6.905 ppm2      0.547 CV     1
 ASSI {  394}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      7.707 ppm2      0.502 CV     1
 ASSI {  395}
   (  segid "   A" and resid 273  and name HE% )
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.80560E-03 ppm1      6.953 ppm2      0.507 CV     1
 ASSI {  396}
   (  segid "   A" and resid 273  and name HD% )
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.60330E-03 ppm1      7.202 ppm2      0.481 CV     1
 ASSI {  397}
   (( segid "   A" and resid 249  and name HE1 ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.10731E-02 ppm1      7.455 ppm2      0.408 CV     1
 ASSI {  398}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.16737E-02 ppm1      6.796 ppm2      0.410 CV     1
 ASSI {  399}
   (( segid "   A" and resid 229  and name HZ  ))
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.96899E-03 ppm1      6.890 ppm2      0.423 CV     1
 ASSI {  400}
   (  segid "   A" and resid 252  and name HD% )
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.56166E-03 ppm1      6.830 ppm2      0.385 CV     1
 OR {  400}
   (  segid "   A" and resid 252  and name HD% )
   (  segid "   A" and resid 213  and name HG1%)
 ASSI {  401}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.10527E-02 ppm1      7.704 ppm2      0.393 CV     1
 OR {  401}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 213  and name HG2%)
 ASSI {  402}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.87395E-03 ppm1      7.988 ppm2      0.321 CV     1
 ASSI {  403}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      6.903 ppm2      0.316 CV     1
 ASSI {  404}
   (( segid "   A" and resid 152  and name HE1 ))
   (  segid "   A" and resid 119  and name HD1%)
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.49739E-03 ppm1      7.307 ppm2      0.268 CV     1
 ASSI {  405}
   (  segid "   A" and resid 273  and name HD% )
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.12469E-02 ppm1      7.206 ppm2      0.208 CV     1
 ASSI {  406}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      7.711 ppm2      0.227 CV     1
 ASSI {  407}
   (  segid "   A" and resid 273  and name HE% )
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.70785E-03 ppm1      6.970 ppm2      0.208 CV     1
 ASSI {  409}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.13306E-02 ppm1      6.792 ppm2      0.207 CV     1
 ASSI {  410}
   (( segid "   A" and resid 229  and name HZ  ))
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.74858E-03 ppm1      6.882 ppm2      0.204 CV     1
 ASSI {  411}
   (  segid "   A" and resid 160  and name HD% )
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.51550E-03 ppm1      6.836 ppm2      0.173 CV     1
 ASSI {  412}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.12686E-02 ppm1      7.986 ppm2      0.160 CV     1
 ASSI {  413}
   (  segid "   A" and resid 252  and name HD% )
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.51731E-03 ppm1      6.836 ppm2      0.135 CV     1
 ASSI {  414}
   (( segid "   A" and resid 249  and name HE1 ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.54944E-03 ppm1      7.458 ppm2      0.094 CV     1
 ASSI {  415}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.47929E-03 ppm1      7.000 ppm2      0.062 CV     1
 ASSI {  416}
   (  segid "   A" and resid 132  and name HD% )
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.13252E-02 ppm1      7.987 ppm2      0.074 CV     1
 ASSI {  417}
   (  segid "   A" and resid 132  and name HE% )
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.59696E-03 ppm1      6.894 ppm2      0.072 CV     1
 ASSI {  418}
   (( segid "   A" and resid 249  and name HE1 ))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.64313E-03 ppm1      7.458 ppm2     -0.055 CV     1
 ASSI {  419}
   (( segid "   A" and resid 249  and name HD2 ))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.27196E-02 ppm1      7.096 ppm2     -0.057 CV     1
 ASSI {  420}
   (  segid "   A" and resid 229  and name HD% )
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.17610E-02 ppm1      7.707 ppm2     -0.100 CV     1
 ASSI {  421}
   (  segid "   A" and resid 229  and name HE% )
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.83276E-03 ppm1      6.789 ppm2     -0.103 CV     1
 ASSI {  422}
   (  segid "   A" and resid 115  and name HD% )
   (( segid "   A" and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.27196E-02 ppm1      6.411 ppm2      2.405 CV     1
 ASSI {  423}
   (  segid "   A" and resid 252  and name HD% )
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.21724E-02 ppm1      6.836 ppm2      2.796 CV     1
 ASSI {  424}
   (  segid "   A" and resid 257  and name HD% )
   (( segid "   A" and resid 257  and name HB1 ))
      6.000     4.500     0.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.12070E-02 ppm1      6.990 ppm2      2.778 CV     1
 ASSI {  425}
   (  segid "   A" and resid 254  and name HD% )
   (( segid "   A" and resid 254  and name HB1 ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.32138E-02 ppm1      7.287 ppm2      2.772 CV     1
 ASSI {  426}
   (  segid "   A" and resid 160  and name HD% )
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.48834E-03 ppm1      6.824 ppm2      8.984 CV     1
 ASSI {  427}
   (  segid "   A" and resid 273  and name HD% )
   (( segid "   A" and resid 275  and name HA  ))
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.56076E-03 ppm1      7.197 ppm2      4.802 CV     1
 ASSI {  428}
   (( segid "   A" and resid 217  and name HD2 ))
   (( segid "   A" and resid 276  and name HA1 ))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.11704E-02 ppm1      7.061 ppm2      3.712 CV     1
 ASSI {  429}
   (( segid "   A" and resid 145  and name HD1 ))
   (( segid "   A" and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.36252E-02 ppm1      7.149 ppm2      3.057 CV     1
 ASSI {    1}
   (( segid "   A" and resid 108  and name HA  ))
   (( segid "   A" and resid 109  and name HN  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.21278E-02 ppm1      4.032 ppm2      7.438 CV     1
 ASSI {    2}
   (( segid "   A" and resid 168  and name HB1 ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.79469E-03 ppm1      1.548 ppm2      7.731 CV     1
 ASSI {    3}
   (( segid "   A" and resid 168  and name HB2 ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.96122E-03 ppm1      1.881 ppm2      7.730 CV     1
 ASSI {    4}
   (( segid "   A" and resid 168  and name HB1 ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      1.540 ppm2      7.471 CV     1
 ASSI {    5}
   (( segid "   A" and resid 168  and name HB2 ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.13877E-02 ppm1      1.879 ppm2      7.469 CV     1
 ASSI {    7}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.16421E-02 ppm1      1.033 ppm2      7.458 CV     1
 ASSI {    8}
   (( segid "   A" and resid 266  and name HA  ))
   (( segid "   A" and resid 266  and name HN  ))
      6.000     4.500     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.17467E-02 ppm1      2.424 ppm2      7.937 CV     1
 ASSI {    9}
   (( segid "   A" and resid 169  and name HA  ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      2.418 ppm2      7.736 CV     1
 ASSI {   10}
   (( segid "   A" and resid 266  and name HA  ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11999E-02 ppm1      2.410 ppm2      7.386 CV     1
 OR {   10}
   (( segid "   A" and resid 169  and name HA  ))
   (  segid "   A" and resid 135  and name HE% )
 ASSI {   11}
   (( segid "   A" and resid 266  and name HA  ))
   (( segid "   A" and resid 232  and name HN  ))
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.67813E-03 ppm1      2.415 ppm2      7.107 CV     1
 ASSI {   12}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.31954E-02 ppm1      1.360 ppm2      8.021 CV     1
 ASSI {   13}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.43306E-02 ppm1      1.361 ppm2      7.726 CV     1
 ASSI {   14}
   (( segid "   A" and resid 170  and name HA  ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.13294E-02 ppm1      3.764 ppm2      8.025 CV     1
 ASSI {   15}
   (( segid "   A" and resid 170  and name HB2 ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.20279E-02 ppm1      1.795 ppm2      8.022 CV     1
 ASSI {   16}
   (( segid "   A" and resid 170  and name HB1 ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.18679E-02 ppm1      1.595 ppm2      8.020 CV     1
 ASSI {   17}
   (( segid "   A" and resid 170  and name HB1 ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.15283E-02 ppm1      1.592 ppm2      7.616 CV     1
 ASSI {   18}
   (( segid "   A" and resid 170  and name HB2 ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.16764E-02 ppm1      1.796 ppm2      7.614 CV     1
 ASSI {   19}
   (( segid "   A" and resid 170  and name HG  ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.20335E-02 ppm1      1.720 ppm2      8.024 CV     1
 ASSI {   20}
   (( segid "   A" and resid 170  and name HG  ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      1.718 ppm2      7.615 CV     1
 ASSI {   21}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.20261E-02 ppm1      0.812 ppm2      8.026 CV     1
 ASSI {   22}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.13054E-02 ppm1      0.813 ppm2      7.616 CV     1
 OR {   22}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 171  and name HN  ))
 ASSI {   23}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 167  and name HE21))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.14136E-02 ppm1      0.818 ppm2      6.743 CV     1
 OR {   23}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 167  and name HE21))
 ASSI {   24}
   (( segid "   A" and resid 171  and name HA  ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.32472E-02 ppm1      4.051 ppm2      7.617 CV     1
 ASSI {   25}
   (( segid "   A" and resid 171  and name HB1 ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.13239E-02 ppm1      2.189 ppm2      7.612 CV     1
 ASSI {   26}
   (( segid "   A" and resid 171  and name HB2 ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.16125E-02 ppm1      2.075 ppm2      7.608 CV     1
 ASSI {   27}
   (( segid "   A" and resid 171  and name HG1 ))
   (( segid "   A" and resid 167  and name HE22))
      6.000     4.500     0.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.11333E-02 ppm1      2.261 ppm2      8.034 CV     1
 OR {   27}
   (( segid "   A" and resid 171  and name HG1 ))
   (( segid "   A" and resid 170  and name HN  ))
 ASSI {   28}
   (( segid "   A" and resid 171  and name HG2 ))
   (( segid "   A" and resid 167  and name HE22))
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.10463E-02 ppm1      2.671 ppm2      8.044 CV     1
 OR {   28}
   (( segid "   A" and resid 171  and name HG2 ))
   (( segid "   A" and resid 170  and name HN  ))
 ASSI {   29}
   (( segid "   A" and resid 204  and name HG2 ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.88536E-03 ppm1      2.676 ppm2      8.213 CV     1
 OR {   29}
   (( segid "   A" and resid 171  and name HG2 ))
   (( segid "   A" and resid 172  and name HN  ))
 ASSI {   30}
   (( segid "   A" and resid 171  and name HG1 ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.21732E-02 ppm1      2.263 ppm2      7.615 CV     1
 ASSI {   31}
   (( segid "   A" and resid 171  and name HG2 ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.22832E-02 ppm1      2.673 ppm2      7.617 CV     1
 ASSI {   32}
   (( segid "   A" and resid 172  and name HG2 ))
   (( segid "   A" and resid 172  and name HN  ))
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      2.789 ppm2      8.174 CV     1
 ASSI {   33}
   (( segid "   A" and resid 172  and name HG2 ))
   (( segid "   A" and resid 172  and name HE21))
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.11851E-02 ppm1      2.788 ppm2      7.780 CV     1
 ASSI {   34}
   (( segid "   A" and resid 172  and name HG1 ))
   (( segid "   A" and resid 172  and name HE21))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.16764E-02 ppm1      2.428 ppm2      7.770 CV     1
 ASSI {   35}
   (( segid "   A" and resid 172  and name HG1 ))
   (( segid "   A" and resid 172  and name HN  ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.13415E-02 ppm1      2.412 ppm2      8.201 CV     1
 ASSI {   36}
   (( segid "   A" and resid 218  and name HA  ))
   (( segid "   A" and resid 219  and name HN  ))
      6.000     4.500     0.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.78267E-03 ppm1      3.656 ppm2     11.210 CV     1
 ASSI {   37}
   (( segid "   A" and resid 251  and name HA2 ))
   (( segid "   A" and resid 251  and name HN  ))
      6.000     4.500     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.99637E-03 ppm1      4.325 ppm2     11.227 CV     1
 ASSI {   38}
   (( segid "   A" and resid 251  and name HA1 ))
   (( segid "   A" and resid 251  and name HN  ))
      6.000     4.500     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.15061E-02 ppm1      4.169 ppm2     11.232 CV     1
 ASSI {   39}
   (( segid "   A" and resid 218  and name HB2 ))
   (( segid "   A" and resid 251  and name HN  ))
      6.000     4.500     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.75676E-03 ppm1      1.813 ppm2     11.225 CV     1
 ASSI {   40}
   (( segid "   A" and resid 219  and name HB2 ))
   (( segid "   A" and resid 219  and name HN  ))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.96677E-03 ppm1      2.907 ppm2     11.189 CV     1
 ASSI {   41}
   (( segid "   A" and resid 219  and name HB1 ))
   (( segid "   A" and resid 219  and name HN  ))
      6.000     4.500     0.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10667E-02 ppm1      2.727 ppm2     11.187 CV     1
 ASSI {   42}
   (( segid "   A" and resid 218  and name HG1 ))
   (( segid "   A" and resid 219  and name HN  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.93809E-03 ppm1      2.225 ppm2     11.178 CV     1
 ASSI {   43}
   (( segid "   A" and resid 218  and name HG2 ))
   (( segid "   A" and resid 219  and name HN  ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.84003E-03 ppm1      2.123 ppm2     11.184 CV     1
 ASSI {   44}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 286  and name HN  ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.18308E-02 ppm1      0.798 ppm2      9.872 CV     1
 ASSI {   45}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 286  and name HN  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.20834E-02 ppm1      1.533 ppm2      9.866 CV     1
 ASSI {   46}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 286  and name HN  ))
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.36737E-02 ppm1      0.566 ppm2      9.865 CV     1
 ASSI {   47}
   (( segid "   A" and resid 210  and name HA  ))
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.16893E-02 ppm1      5.765 ppm2      9.550 CV     1
 ASSI {   48}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.14784E-02 ppm1      0.978 ppm2      9.554 CV     1
 ASSI {   49}
   (( segid "   A" and resid 138  and name HA  ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.20177E-02 ppm1      3.773 ppm2      9.526 CV     1
 ASSI {   50}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.13146E-02 ppm1      5.127 ppm2      9.519 CV     1
 ASSI {   51}
   (( segid "   A" and resid 139  and name HA  ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.83910E-03 ppm1      4.334 ppm2      9.524 CV     1
 ASSI {   52}
   (( segid "   A" and resid 139  and name HB2 ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.14950E-02 ppm1      1.543 ppm2      9.523 CV     1
 ASSI {   53}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.13220E-02 ppm1      1.431 ppm2      9.522 CV     1
 ASSI {   54}
   (( segid "   A" and resid 163  and name HB1 ))
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.85483E-03 ppm1      1.711 ppm2      9.511 CV     1
 ASSI {   55}
   (( segid "   A" and resid 163  and name HG1 ))
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.90571E-03 ppm1      2.008 ppm2      9.516 CV     1
 ASSI {   56}
   (( segid "   A" and resid 139  and name HG2 ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.10713E-02 ppm1      1.397 ppm2      9.517 CV     1
 ASSI {   57}
   (( segid "   A" and resid 139  and name HG1 ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.97880E-03 ppm1      1.306 ppm2      9.532 CV     1
 ASSI {   58}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.24969E-02 ppm1      0.552 ppm2      9.525 CV     1
 ASSI {   59}
   (( segid "   A" and resid 164  and name HA  ))
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.11268E-02 ppm1      3.331 ppm2      9.492 CV     1
 ASSI {   60}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.20492E-02 ppm1      1.081 ppm2      9.494 CV     1
 OR {   60}
   (  segid "   A" and resid 287  and name HG2%)
   (( segid "   A" and resid 164  and name HN  ))
 ASSI {   61}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.22749E-02 ppm1      0.795 ppm2      9.487 CV     1
 ASSI {   62}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14192E-02 ppm1      0.565 ppm2      9.487 CV     1
 ASSI {   63}
   (( segid "   A" and resid 221  and name HB2 ))
   (( segid "   A" and resid 221  and name HN  ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.11722E-02 ppm1      4.230 ppm2      9.370 CV     1
 ASSI {   64}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 221  and name HN  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.15006E-02 ppm1      3.979 ppm2      9.361 CV     1
 ASSI {   65}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 221  and name HN  ))
      6.000     4.500     0.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.20705E-02 ppm1      0.715 ppm2      9.374 CV     1
 ASSI {   66}
   (( segid "   A" and resid 234  and name HA  ))
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.35414E-02 ppm1      4.280 ppm2      9.310 CV     1
 ASSI {   67}
   (( segid "   A" and resid 224  and name HB1 ))
   (( segid "   A" and resid 221  and name HN  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.85390E-03 ppm1      3.014 ppm2      9.352 CV     1
 ASSI {   68}
   (( segid "   A" and resid 235  and name HB  ))
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.20205E-02 ppm1      1.618 ppm2      9.307 CV     1
 ASSI {   69}
   (( segid "   A" and resid 234  and name HB1 ))
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.15413E-02 ppm1      1.797 ppm2      9.310 CV     1
 OR {   69}
   (( segid "   A" and resid 234  and name HB2 ))
   (( segid "   A" and resid 235  and name HN  ))
 ASSI {   70}
   (( segid "   A" and resid 234  and name HG2 ))
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10362E-02 ppm1      1.502 ppm2      9.305 CV     1
 ASSI {   71}
   (( segid "   A" and resid 234  and name HG1 ))
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      1.401 ppm2      9.305 CV     1
 ASSI {   72}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.13313E-02 ppm1      0.586 ppm2      9.303 CV     1
 ASSI {   73}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.96307E-03 ppm1      0.696 ppm2      9.308 CV     1
 ASSI {   74}
   (( segid "   A" and resid 221  and name HB2 ))
   (( segid "   A" and resid 222  and name HN  ))
      6.000     4.500     0.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.14062E-02 ppm1      4.229 ppm2      9.275 CV     1
 ASSI {   75}
   (( segid "   A" and resid 235  and name HA  ))
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.89276E-03 ppm1      4.079 ppm2      9.296 CV     1
 ASSI {   76}
   (( segid "   A" and resid 222  and name HA  ))
   (( segid "   A" and resid 222  and name HN  ))
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      3.729 ppm2      9.278 CV     1
 ASSI {   77}
   (( segid "   A" and resid 222  and name HB1 ))
   (( segid "   A" and resid 222  and name HN  ))
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.11703E-02 ppm1      2.666 ppm2      9.275 CV     1
 ASSI {   78}
   (( segid "   A" and resid 222  and name HB2 ))
   (( segid "   A" and resid 222  and name HN  ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.81967E-03 ppm1      2.608 ppm2      9.271 CV     1
 ASSI {   79}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 235  and name HN  ))
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.14543E-02 ppm1      2.579 ppm2      9.297 CV     1
 OR {   79}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 235  and name HN  ))
 ASSI {   80}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 222  and name HN  ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.16144E-02 ppm1     -0.070 ppm2      9.277 CV     1
 ASSI {   81}
   (( segid "   A" and resid 221  and name HB1 ))
   (( segid "   A" and resid 222  and name HN  ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      3.977 ppm2      9.268 CV     1
 ASSI {   82}
   (( segid "   A" and resid 272  and name HA  ))
   (( segid "   A" and resid 272  and name HN  ))
      6.000     4.500     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.20594E-02 ppm1      3.909 ppm2      9.251 CV     1
 ASSI {   83}
   (( segid "   A" and resid 272  and name HG  ))
   (( segid "   A" and resid 272  and name HN  ))
      6.000     4.500     0.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.92606E-03 ppm1      1.526 ppm2      9.252 CV     1
 ASSI {   84}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      1.067 ppm2      9.260 CV     1
 ASSI {   85}
   (( segid "   A" and resid 280  and name HG  ))
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.12795E-02 ppm1      2.271 ppm2      9.254 CV     1
 ASSI {   86}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 272  and name HN  ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.85390E-03 ppm1      0.820 ppm2      9.251 CV     1
 ASSI {   87}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.17522E-02 ppm1      0.888 ppm2      9.257 CV     1
 ASSI {   88}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 272  and name HN  ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.18392E-02 ppm1      0.992 ppm2      9.243 CV     1
 OR {   88}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 280  and name HN  ))
 ASSI {   89}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 272  and name HN  ))
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.37468E-02 ppm1      0.716 ppm2      9.249 CV     1
 ASSI {   90}
   (( segid "   A" and resid 211  and name HA  ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.17707E-02 ppm1      5.103 ppm2      9.182 CV     1
 ASSI {   91}
   (( segid "   A" and resid 211  and name HB  ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.17180E-02 ppm1      2.007 ppm2      9.178 CV     1
 ASSI {   92}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.76046E-03 ppm1      1.033 ppm2      9.160 CV     1
 ASSI {   93}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.15811E-02 ppm1      0.972 ppm2      9.181 CV     1
 ASSI {   94}
   (( segid "   A" and resid 136  and name HA1 ))
   (( segid "   A" and resid 212  and name HH  ))
      6.000     4.500     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.87241E-03 ppm1      3.952 ppm2      9.127 CV     1
 ASSI {   95}
   (( segid "   A" and resid 117  and name HA2 ))
   (( segid "   A" and resid 117  and name HN  ))
      6.000     4.500     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.86500E-03 ppm1      3.550 ppm2      9.127 CV     1
 ASSI {   96}
   (( segid "   A" and resid 113  and name HA  ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.16949E-02 ppm1      5.387 ppm2      9.104 CV     1
 ASSI {   97}
   (( segid "   A" and resid 155  and name HA  ))
   (( segid "   A" and resid 156  and name HN  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.85113E-03 ppm1      5.545 ppm2      9.112 CV     1
 ASSI {   98}
   (( segid "   A" and resid 136  and name HA2 ))
   (( segid "   A" and resid 212  and name HH  ))
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      4.097 ppm2      9.112 CV     1
 ASSI {   99}
   (( segid "   A" and resid 114  and name HB  ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.11361E-02 ppm1      2.113 ppm2      9.100 CV     1
 ASSI {  100}
   (( segid "   A" and resid 116  and name HB  ))
   (( segid "   A" and resid 117  and name HN  ))
      6.000     4.500     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.87333E-03 ppm1      1.581 ppm2      9.105 CV     1
 ASSI {  101}
   (  segid "   A" and resid 156  and name HB% )
   (( segid "   A" and resid 156  and name HN  ))
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      0.851 ppm2      9.114 CV     1
 ASSI {  102}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 212  and name HH  ))
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.30317E-02 ppm1      1.289 ppm2      9.113 CV     1
 ASSI {  103}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.12425E-02 ppm1      0.935 ppm2      9.102 CV     1
 ASSI {  104}
   (  segid "   A" and resid 116  and name HG2%)
   (( segid "   A" and resid 117  and name HN  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.18179E-02 ppm1      0.727 ppm2      9.118 CV     1
 ASSI {  105}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 117  and name HN  ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.11555E-02 ppm1      0.302 ppm2      9.107 CV     1
 ASSI {  106}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.18077E-02 ppm1      0.904 ppm2      9.100 CV     1
 ASSI {  107}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 212  and name HH  ))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      0.797 ppm2      9.099 CV     1
 ASSI {  108}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 212  and name HH  ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.23332E-02 ppm1      0.667 ppm2      9.109 CV     1
 ASSI {  109}
   (( segid "   A" and resid 276  and name HA1 ))
   (( segid "   A" and resid 276  and name HN  ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12499E-02 ppm1      3.702 ppm2      9.093 CV     1
 ASSI {  110}
   (( segid "   A" and resid 276  and name HA2 ))
   (( segid "   A" and resid 276  and name HN  ))
      6.000     4.500     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.77527E-03 ppm1      3.621 ppm2      9.078 CV     1
 ASSI {  111}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 276  and name HN  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.14969E-02 ppm1      1.067 ppm2      9.078 CV     1
 ASSI {  112}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 156  and name HN  ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.10574E-02 ppm1      0.253 ppm2      9.089 CV     1
 ASSI {  114}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.79469E-03 ppm1      1.029 ppm2      9.054 CV     1
 ASSI {  115}
   (( segid "   A" and resid 235  and name HA  ))
   (( segid "   A" and resid 236  and name HN  ))
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.23739E-02 ppm1      4.073 ppm2      9.021 CV     1
 ASSI {  116}
   (( segid "   A" and resid 282  and name HA  ))
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.27865E-02 ppm1      5.393 ppm2      9.032 CV     1
 ASSI {  117}
   (( segid "   A" and resid 236  and name HA  ))
   (( segid "   A" and resid 236  and name HN  ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.12036E-02 ppm1      4.318 ppm2      9.029 CV     1
 ASSI {  118}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 236  and name HN  ))
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      1.709 ppm2      9.021 CV     1
 ASSI {  119}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 236  and name HN  ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.17208E-02 ppm1      1.510 ppm2      9.014 CV     1
 ASSI {  120}
   (  segid "   A" and resid 170  and name HD2%)
   (( segid "   A" and resid 186  and name HN  ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.91959E-03 ppm1      0.818 ppm2      9.011 CV     1
 OR {  120}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 186  and name HN  ))
 ASSI {  121}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 236  and name HN  ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.20917E-02 ppm1      1.357 ppm2      9.020 CV     1
 OR {  121}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 236  and name HN  ))
 ASSI {  122}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      0.919 ppm2      9.033 CV     1
 ASSI {  123}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 186  and name HN  ))
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.37625E-02 ppm1      1.009 ppm2      9.032 CV     1
 OR {  123}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 283  and name HN  ))
 ASSI {  124}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 236  and name HN  ))
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.24673E-02 ppm1      0.588 ppm2      9.022 CV     1
 ASSI {  125}
   (( segid "   A" and resid 215  and name HA  ))
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10704E-02 ppm1      3.875 ppm2      8.966 CV     1
 ASSI {  126}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 186  and name HN  ))
      6.000     4.500     0.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.10584E-02 ppm1      0.938 ppm2      8.982 CV     1
 OR {  126}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 160  and name HN  ))
 ASSI {  127}
   (( segid "   A" and resid 213  and name HB  ))
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.12850E-02 ppm1      1.235 ppm2      8.952 CV     1
 ASSI {  129}
   (( segid "   A" and resid 216  and name HA  ))
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.13914E-02 ppm1      3.475 ppm2      8.930 CV     1
 ASSI {  130}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.14025E-02 ppm1      3.910 ppm2      8.945 CV     1
 ASSI {  131}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 230  and name HN  ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.16310E-02 ppm1      5.067 ppm2      8.923 CV     1
 ASSI {  132}
   (( segid "   A" and resid 142  and name HB1 ))
   (( segid "   A" and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.19678E-02 ppm1      2.838 ppm2      8.936 CV     1
 ASSI {  133}
   (( segid "   A" and resid 142  and name HB2 ))
   (( segid "   A" and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.19918E-02 ppm1      2.634 ppm2      8.932 CV     1
 ASSI {  134}
   (( segid "   A" and resid 157  and name HB1 ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.81135E-03 ppm1      2.958 ppm2      8.936 CV     1
 ASSI {  135}
   (( segid "   A" and resid 230  and name HG2 ))
   (( segid "   A" and resid 230  and name HN  ))
      6.000     4.500     0.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.15598E-02 ppm1      2.583 ppm2      8.933 CV     1
 OR {  135}
   (( segid "   A" and resid 230  and name HG1 ))
   (( segid "   A" and resid 230  and name HN  ))
 ASSI {  136}
   (( segid "   A" and resid 217  and name HB2 ))
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.89276E-03 ppm1      3.087 ppm2      8.930 CV     1
 ASSI {  137}
   (( segid "   A" and resid 217  and name HB1 ))
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.82985E-03 ppm1      2.808 ppm2      8.936 CV     1
 ASSI {  138}
   (( segid "   A" and resid 125  and name HB2 ))
   (( segid "   A" and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.13183E-02 ppm1      2.161 ppm2      8.929 CV     1
 ASSI {  139}
   (( segid "   A" and resid 230  and name HB1 ))
   (( segid "   A" and resid 230  and name HN  ))
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.28568E-02 ppm1      2.312 ppm2      8.925 CV     1
 ASSI {  140}
   (( segid "   A" and resid 230  and name HB2 ))
   (( segid "   A" and resid 230  and name HN  ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.28050E-02 ppm1      2.099 ppm2      8.930 CV     1
 ASSI {  141}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.14173E-02 ppm1      0.925 ppm2      8.938 CV     1
 ASSI {  142}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.13988E-02 ppm1      0.885 ppm2      8.936 CV     1
 ASSI {  143}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.26043E-02 ppm1      1.289 ppm2      8.947 CV     1
 ASSI {  144}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.12388E-02 ppm1      0.687 ppm2      8.939 CV     1
 ASSI {  145}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.13896E-02 ppm1      0.387 ppm2      8.936 CV     1
 OR {  145}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 214  and name HN  ))
 ASSI {  146}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.24368E-02 ppm1      0.420 ppm2      8.947 CV     1
 OR {  146}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 217  and name HN  ))
 ASSI {  147}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.23702E-02 ppm1      0.359 ppm2      8.945 CV     1
 ASSI {  148}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.33943E-02 ppm1      0.610 ppm2      8.925 CV     1
 ASSI {  149}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 230  and name HN  ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.19123E-02 ppm1      0.691 ppm2      8.928 CV     1
 ASSI {  150}
   (( segid "   A" and resid 158  and name HA  ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.12980E-02 ppm1      4.113 ppm2      8.918 CV     1
 ASSI {  151}
   (( segid "   A" and resid 129  and name HA  ))
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.15811E-02 ppm1      3.685 ppm2      8.903 CV     1
 ASSI {  152}
   (( segid "   A" and resid 125  and name HA  ))
   (( segid "   A" and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.12369E-02 ppm1      3.733 ppm2      8.916 CV     1
 ASSI {  153}
   (( segid "   A" and resid 157  and name HA  ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.32324E-02 ppm1      5.480 ppm2      8.909 CV     1
 ASSI {  154}
   (( segid "   A" and resid 142  and name HA  ))
   (( segid "   A" and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.11102E-02 ppm1      5.047 ppm2      8.919 CV     1
 ASSI {  155}
   (( segid "   A" and resid 124  and name HA1 ))
   (( segid "   A" and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.11268E-02 ppm1      3.945 ppm2      8.909 CV     1
 ASSI {  156}
   (( segid "   A" and resid 157  and name HB2 ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.85760E-03 ppm1      2.762 ppm2      8.913 CV     1
 ASSI {  157}
   (( segid "   A" and resid 125  and name HG2 ))
   (( segid "   A" and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.18077E-02 ppm1      2.239 ppm2      8.902 CV     1
 OR {  157}
   (( segid "   A" and resid 125  and name HG1 ))
   (( segid "   A" and resid 125  and name HN  ))
 ASSI {  158}
   (( segid "   A" and resid 128  and name HB  ))
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.16736E-02 ppm1      2.027 ppm2      8.912 CV     1
 ASSI {  159}
   (( segid "   A" and resid 158  and name HB  ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.20362E-02 ppm1      1.449 ppm2      8.918 CV     1
 ASSI {  160}
   (( segid "   A" and resid 129  and name HB2 ))
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.27088E-02 ppm1      1.966 ppm2      8.904 CV     1
 ASSI {  161}
   (( segid "   A" and resid 129  and name HB1 ))
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.15246E-02 ppm1      1.899 ppm2      8.898 CV     1
 ASSI {  162}
   (( segid "   A" and resid 130  and name HB2 ))
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.88073E-03 ppm1      2.184 ppm2      8.902 CV     1
 OR {  162}
   (( segid "   A" and resid 130  and name HB1 ))
   (( segid "   A" and resid 129  and name HN  ))
 ASSI {  163}
   (( segid "   A" and resid 129  and name HG1 ))
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.92421E-03 ppm1      1.545 ppm2      8.899 CV     1
 OR {  163}
   (( segid "   A" and resid 129  and name HG2 ))
   (( segid "   A" and resid 129  and name HN  ))
 ASSI {  164}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.15922E-02 ppm1      0.146 ppm2      8.908 CV     1
 ASSI {  165}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.25229E-02 ppm1      0.045 ppm2      8.911 CV     1
 ASSI {  166}
   (  segid "   A" and resid 231  and name HB% )
   (( segid "   A" and resid 230  and name HN  ))
      6.000     4.500     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.74196E-03 ppm1      0.944 ppm2      8.903 CV     1
 ASSI {  167}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.25932E-02 ppm1      0.550 ppm2      8.904 CV     1
 ASSI {  168}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.22018E-02 ppm1      0.756 ppm2      8.904 CV     1
 OR {  168}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 142  and name HN  ))
 ASSI {  169}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.17235E-02 ppm1      0.904 ppm2      8.890 CV     1
 ASSI {  170}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.12425E-02 ppm1      0.587 ppm2      8.872 CV     1
 ASSI {  171}
   (( segid "   A" and resid 258  and name HA  ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.78267E-03 ppm1      4.109 ppm2      8.839 CV     1
 ASSI {  172}
   (( segid "   A" and resid 210  and name HA  ))
   (( segid "   A" and resid 257  and name HN  ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.85853E-03 ppm1      5.761 ppm2      8.837 CV     1
 ASSI {  173}
   (( segid "   A" and resid 256  and name HA  ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.18262E-02 ppm1      5.055 ppm2      8.852 CV     1
 ASSI {  174}
   (( segid "   A" and resid 114  and name HB  ))
   (( segid "   A" and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.21574E-02 ppm1      2.112 ppm2      8.838 CV     1
 ASSI {  175}
   (( segid "   A" and resid 256  and name HB2 ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.96677E-03 ppm1      1.803 ppm2      8.841 CV     1
 ASSI {  176}
   (( segid "   A" and resid 256  and name HB1 ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.83633E-03 ppm1      2.192 ppm2      8.850 CV     1
 ASSI {  177}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.21361E-02 ppm1      0.937 ppm2      8.833 CV     1
 ASSI {  178}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.99637E-03 ppm1      1.003 ppm2      8.838 CV     1
 ASSI {  179}
   (  segid "   A" and resid 255  and name HG2%)
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.21334E-02 ppm1      0.233 ppm2      8.847 CV     1
 ASSI {  180}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.73549E-03 ppm1      3.069 ppm2      8.814 CV     1
 OR {  180}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 259  and name HN  ))
 ASSI {  181}
   (( segid "   A" and resid 257  and name HB1 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.10787E-02 ppm1      2.771 ppm2      8.820 CV     1
 ASSI {  182}
   (( segid "   A" and resid 115  and name HB1 ))
   (( segid "   A" and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.10399E-02 ppm1      2.481 ppm2      8.829 CV     1
 ASSI {  183}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      2.145 ppm2      8.826 CV     1
 ASSI {  184}
   (( segid "   A" and resid 259  and name HB1 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.75676E-03 ppm1      2.028 ppm2      8.818 CV     1
 ASSI {  185}
   (( segid "   A" and resid 259  and name HB2 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      1.910 ppm2      8.815 CV     1
 ASSI {  186}
   (( segid "   A" and resid 258  and name HB1 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.12277E-02 ppm1      2.217 ppm2      8.820 CV     1
 ASSI {  187}
   (( segid "   A" and resid 259  and name HD2 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.11610E-02 ppm1      1.776 ppm2      8.815 CV     1
 OR {  187}
   (( segid "   A" and resid 259  and name HD1 ))
   (( segid "   A" and resid 259  and name HN  ))
 ASSI {  188}
   (( segid "   A" and resid 259  and name HG1 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      1.598 ppm2      8.820 CV     1
 ASSI {  189}
   (( segid "   A" and resid 259  and name HG2 ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.90571E-03 ppm1      1.502 ppm2      8.825 CV     1
 ASSI {  191}
   (( segid "   A" and resid 138  and name HA  ))
   (( segid "   A" and resid 138  and name HN  ))
      6.000     4.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.88258E-03 ppm1      3.777 ppm2      8.776 CV     1
 ASSI {  192}
   (( segid "   A" and resid 254  and name HA  ))
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.22407E-02 ppm1      5.755 ppm2      8.784 CV     1
 ASSI {  193}
   (( segid "   A" and resid 252  and name HA  ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.14765E-02 ppm1      5.635 ppm2      8.790 CV     1
 ASSI {  194}
   (( segid "   A" and resid 253  and name HA2 ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.80765E-03 ppm1      4.110 ppm2      8.794 CV     1
 ASSI {  195}
   (( segid "   A" and resid 252  and name HB2 ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.95474E-03 ppm1      3.049 ppm2      8.789 CV     1
 ASSI {  196}
   (( segid "   A" and resid 255  and name HB  ))
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.92976E-03 ppm1      1.259 ppm2      8.791 CV     1
 ASSI {  197}
   (( segid "   A" and resid 138  and name HB  ))
   (( segid "   A" and resid 138  and name HN  ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.19918E-02 ppm1      1.659 ppm2      8.783 CV     1
 ASSI {  198}
   (( segid "   A" and resid 137  and name HB1 ))
   (( segid "   A" and resid 138  and name HN  ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.12702E-02 ppm1      2.370 ppm2      8.776 CV     1
 OR {  198}
   (( segid "   A" and resid 137  and name HB1 ))
   (( segid "   A" and resid 161  and name HN  ))
 ASSI {  199}
   (( segid "   A" and resid 138  and name HG12))
   (( segid "   A" and resid 138  and name HN  ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.86315E-03 ppm1      1.923 ppm2      8.789 CV     1
 ASSI {  200}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.82245E-03 ppm1      1.287 ppm2      8.793 CV     1
 ASSI {  201}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.97417E-03 ppm1      0.100 ppm2      8.786 CV     1
 ASSI {  202}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.14876E-02 ppm1      0.421 ppm2      8.785 CV     1
 ASSI {  203}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.13581E-02 ppm1      0.358 ppm2      8.790 CV     1
 ASSI {  204}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 138  and name HN  ))
      6.000     4.500     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.18891E-02 ppm1      0.551 ppm2      8.784 CV     1
 ASSI {  205}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 138  and name HN  ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.15487E-02 ppm1      0.778 ppm2      8.783 CV     1
 ASSI {  206}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.84835E-03 ppm1     -0.112 ppm2      8.780 CV     1
 ASSI {  207}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.20464E-02 ppm1      5.123 ppm2      8.766 CV     1
 ASSI {  208}
   (( segid "   A" and resid 161  and name HA  ))
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.13415E-02 ppm1      4.226 ppm2      8.761 CV     1
 ASSI {  209}
   (( segid "   A" and resid 161  and name HG1 ))
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.15922E-02 ppm1      2.277 ppm2      8.757 CV     1
 OR {  209}
   (( segid "   A" and resid 161  and name HG2 ))
   (( segid "   A" and resid 161  and name HN  ))
 ASSI {  210}
   (( segid "   A" and resid 161  and name HB2 ))
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.14506E-02 ppm1      2.236 ppm2      8.762 CV     1
 ASSI {  211}
   (( segid "   A" and resid 137  and name HB2 ))
   (( segid "   A" and resid 138  and name HN  ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      2.068 ppm2      8.764 CV     1
 ASSI {  212}
   (( segid "   A" and resid 161  and name HB1 ))
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.14432E-02 ppm1      1.999 ppm2      8.760 CV     1
 ASSI {  213}
   (( segid "   A" and resid 137  and name HG1 ))
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.97695E-03 ppm1      2.304 ppm2      8.767 CV     1
 OR {  213}
   (( segid "   A" and resid 137  and name HG1 ))
   (( segid "   A" and resid 138  and name HN  ))
 ASSI {  214}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.13128E-02 ppm1      0.798 ppm2      8.765 CV     1
 ASSI {  215}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.77619E-03 ppm1      0.665 ppm2      8.745 CV     1
 ASSI {  216}
   (( segid "   A" and resid 281  and name HA  ))
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.20122E-02 ppm1      5.290 ppm2      8.699 CV     1
 ASSI {  217}
   (( segid "   A" and resid 282  and name HB  ))
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.15302E-02 ppm1      1.794 ppm2      8.702 CV     1
 ASSI {  218}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.91311E-03 ppm1      1.027 ppm2      8.691 CV     1
 ASSI {  219}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.28198E-02 ppm1      0.993 ppm2      8.689 CV     1
 OR {  219}
   (  segid "   A" and resid 282  and name HG2%)
   (( segid "   A" and resid 282  and name HN  ))
 ASSI {  220}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.72993E-03 ppm1      0.713 ppm2      8.697 CV     1
 ASSI {  221}
   (( segid "   A" and resid 198  and name HA  ))
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.90571E-03 ppm1      3.566 ppm2      8.659 CV     1
 OR {  221}
   (( segid "   A" and resid 198  and name HA  ))
   (( segid "   A" and resid 201  and name HN  ))
 ASSI {  223}
   (( segid "   A" and resid 158  and name HA  ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.15579E-02 ppm1      4.109 ppm2      8.660 CV     1
 ASSI {  224}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 133  and name HN  ))
      6.000     4.500     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.91496E-03 ppm1      3.893 ppm2      8.665 CV     1
 OR {  224}
   (( segid "   A" and resid 215  and name HA  ))
   (( segid "   A" and resid 133  and name HN  ))
 ASSI {  225}
   (( segid "   A" and resid 134  and name HD2 ))
   (( segid "   A" and resid 133  and name HN  ))
      6.000     4.500     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.74751E-03 ppm1      3.106 ppm2      8.663 CV     1
 ASSI {  226}
   (( segid "   A" and resid 199  and name HB2 ))
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.21204E-02 ppm1      2.711 ppm2      8.659 CV     1
 ASSI {  227}
   (( segid "   A" and resid 198  and name HB  ))
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.12147E-02 ppm1      2.013 ppm2      8.656 CV     1
 ASSI {  228}
   (( segid "   A" and resid 159  and name HB2 ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.79284E-03 ppm1      2.063 ppm2      8.682 CV     1
 ASSI {  229}
   (  segid "   A" and resid 158  and name HG1%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.12499E-02 ppm1      0.147 ppm2      8.661 CV     1
 ASSI {  230}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 133  and name HN  ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.79654E-03 ppm1      1.462 ppm2      8.671 CV     1
 ASSI {  231}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.13091E-02 ppm1      0.898 ppm2      8.657 CV     1
 OR {  231}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 199  and name HN  ))
 ASSI {  232}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 133  and name HN  ))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.57303E-02 ppm1      1.628 ppm2      8.656 CV     1
 ASSI {  233}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.10232E-02 ppm1      0.549 ppm2      8.677 CV     1
 ASSI {  234}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.19733E-02 ppm1      0.942 ppm2      8.658 CV     1
 ASSI {  235}
   (( segid "   A" and resid 239  and name HB  ))
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.12998E-02 ppm1      3.951 ppm2      8.636 CV     1
 ASSI {  236}
   (( segid "   A" and resid 129  and name HA  ))
   (( segid "   A" and resid 133  and name HN  ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.97417E-03 ppm1      3.680 ppm2      8.649 CV     1
 ASSI {  237}
   (( segid "   A" and resid 239  and name HA  ))
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.17420E-02 ppm1      4.894 ppm2      8.631 CV     1
 ASSI {  238}
   (( segid "   A" and resid 200  and name HA  ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.11037E-02 ppm1      4.146 ppm2      8.637 CV     1
 ASSI {  239}
   (( segid "   A" and resid 201  and name HA  ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.10824E-02 ppm1      3.994 ppm2      8.636 CV     1
 ASSI {  240}
   (( segid "   A" and resid 199  and name HA  ))
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      4.419 ppm2      8.643 CV     1
 ASSI {  241}
   (( segid "   A" and resid 284  and name HA  ))
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.10140E-02 ppm1      4.430 ppm2      8.632 CV     1
 ASSI {  242}
   (( segid "   A" and resid 250  and name HA  ))
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.96122E-03 ppm1      4.447 ppm2      8.637 CV     1
 ASSI {  243}
   (( segid "   A" and resid 249  and name HA  ))
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.14284E-02 ppm1      5.398 ppm2      8.639 CV     1
 ASSI {  244}
   (( segid "   A" and resid 201  and name HB2 ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.77712E-03 ppm1      2.142 ppm2      8.640 CV     1
 ASSI {  245}
   (( segid "   A" and resid 201  and name HB1 ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11981E-02 ppm1      1.485 ppm2      8.636 CV     1
 ASSI {  246}
   (( segid "   A" and resid 200  and name HG1 ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.90386E-03 ppm1      2.566 ppm2      8.647 CV     1
 OR {  246}
   (( segid "   A" and resid 130  and name HG2 ))
   (( segid "   A" and resid 133  and name HN  ))
 ASSI {  247}
   (( segid "   A" and resid 200  and name HG2 ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.12776E-02 ppm1      2.371 ppm2      8.649 CV     1
 ASSI {  248}
   (( segid "   A" and resid 249  and name HB1 ))
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.96307E-03 ppm1      3.300 ppm2      8.632 CV     1
 ASSI {  249}
   (( segid "   A" and resid 250  and name HD2 ))
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.91034E-03 ppm1      1.838 ppm2      8.643 CV     1
 ASSI {  250}
   (( segid "   A" and resid 200  and name HB1 ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.16606E-02 ppm1      2.279 ppm2      8.643 CV     1
 ASSI {  251}
   (( segid "   A" and resid 200  and name HB2 ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.20677E-02 ppm1      2.203 ppm2      8.642 CV     1
 ASSI {  252}
   (( segid "   A" and resid 201  and name HG  ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.19604E-02 ppm1      1.877 ppm2      8.644 CV     1
 ASSI {  253}
   (( segid "   A" and resid 240  and name HG  ))
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.16107E-02 ppm1      1.148 ppm2      8.632 CV     1
 ASSI {  254}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.20964E-02 ppm1      0.807 ppm2      8.646 CV     1
 ASSI {  255}
   (( segid "   A" and resid 250  and name HG1 ))
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.97602E-03 ppm1      1.360 ppm2      8.648 CV     1
 ASSI {  256}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1     -0.071 ppm2      8.633 CV     1
 ASSI {  257}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.17078E-02 ppm1      0.916 ppm2      8.641 CV     1
 ASSI {  258}
   (  segid "   A" and resid 201  and name HD2%)
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.21704E-02 ppm1      0.817 ppm2      8.642 CV     1
 ASSI {  259}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.27643E-02 ppm1      1.008 ppm2      8.641 CV     1
 ASSI {  260}
   (  segid "   A" and resid 239  and name HG2%)
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.31769E-02 ppm1      1.188 ppm2      8.632 CV     1
 ASSI {  261}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.15339E-02 ppm1      0.101 ppm2      8.637 CV     1
 ASSI {  262}
   (  segid "   A" and resid 158  and name HG2%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.83540E-03 ppm1      0.047 ppm2      8.645 CV     1
 ASSI {  263}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.13803E-02 ppm1      0.794 ppm2      8.641 CV     1
 ASSI {  264}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.16014E-02 ppm1      1.580 ppm2      8.646 CV     1
 OR {  264}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 199  and name HN  ))
 ASSI {  265}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.75954E-03 ppm1      0.608 ppm2      8.639 CV     1
 ASSI {  266}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.16144E-02 ppm1      0.776 ppm2      8.653 CV     1
 OR {  266}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 133  and name HN  ))
 OR {  266}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 159  and name HN  ))
 ASSI {  267}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.14062E-02 ppm1      0.744 ppm2      8.649 CV     1
 OR {  267}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 159  and name HN  ))
 ASSI {  268}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.76694E-03 ppm1     -0.115 ppm2      8.644 CV     1
 ASSI {  269}
   (( segid "   A" and resid 184  and name HA  ))
   (( segid "   A" and resid 185  and name HN  ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.22361E-02 ppm1      4.976 ppm2      8.614 CV     1
 ASSI {  270}
   (( segid "   A" and resid 142  and name HA  ))
   (( segid "   A" and resid 143  and name HN  ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.24109E-02 ppm1      5.042 ppm2      8.615 CV     1
 ASSI {  271}
   (( segid "   A" and resid 283  and name HA2 ))
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.26866E-02 ppm1      4.057 ppm2      8.616 CV     1
 ASSI {  272}
   (( segid "   A" and resid 284  and name HE1 ))
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.14118E-02 ppm1      3.011 ppm2      8.617 CV     1
 OR {  272}
   (( segid "   A" and resid 284  and name HE2 ))
   (( segid "   A" and resid 284  and name HN  ))
 ASSI {  273}
   (( segid "   A" and resid 184  and name HB2 ))
   (( segid "   A" and resid 185  and name HN  ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.12166E-02 ppm1      1.756 ppm2      8.610 CV     1
 ASSI {  274}
   (( segid "   A" and resid 184  and name HB1 ))
   (( segid "   A" and resid 185  and name HN  ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.87241E-03 ppm1      1.614 ppm2      8.616 CV     1
 ASSI {  275}
   (( segid "   A" and resid 185  and name HB  ))
   (( segid "   A" and resid 185  and name HN  ))
      6.000     4.500     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.20362E-02 ppm1      1.905 ppm2      8.617 CV     1
 ASSI {  276}
   (( segid "   A" and resid 284  and name HB2 ))
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.23147E-02 ppm1      2.000 ppm2      8.623 CV     1
 ASSI {  277}
   (( segid "   A" and resid 284  and name HB1 ))
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.24294E-02 ppm1      1.854 ppm2      8.616 CV     1
 ASSI {  278}
   (( segid "   A" and resid 284  and name HD1 ))
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.23813E-02 ppm1      1.756 ppm2      8.615 CV     1
 OR {  278}
   (( segid "   A" and resid 284  and name HD2 ))
   (( segid "   A" and resid 284  and name HN  ))
 ASSI {  279}
   (( segid "   A" and resid 284  and name HG2 ))
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.26709E-02 ppm1      1.555 ppm2      8.619 CV     1
 OR {  279}
   (( segid "   A" and resid 284  and name HG1 ))
   (( segid "   A" and resid 284  and name HN  ))
 ASSI {  280}
   (( segid "   A" and resid 184  and name HG1 ))
   (( segid "   A" and resid 185  and name HN  ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.96122E-03 ppm1      1.464 ppm2      8.609 CV     1
 ASSI {  281}
   (( segid "   A" and resid 184  and name HG2 ))
   (( segid "   A" and resid 185  and name HN  ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.79932E-03 ppm1      1.378 ppm2      8.615 CV     1
 ASSI {  282}
   (  segid "   A" and resid 185  and name HG2%)
   (( segid "   A" and resid 185  and name HN  ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.31288E-02 ppm1      1.012 ppm2      8.620 CV     1
 ASSI {  283}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.20279E-02 ppm1      0.978 ppm2      8.625 CV     1
 ASSI {  284}
   (( segid "   A" and resid 178  and name HB1 ))
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.79839E-03 ppm1      1.590 ppm2      8.559 CV     1
 ASSI {  285}
   (( segid "   A" and resid 178  and name HB2 ))
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.13637E-02 ppm1      1.417 ppm2      8.556 CV     1
 ASSI {  286}
   (( segid "   A" and resid 177  and name HB1 ))
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.13183E-02 ppm1      1.927 ppm2      8.552 CV     1
 ASSI {  287}
   (( segid "   A" and resid 177  and name HB2 ))
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.13748E-02 ppm1      1.798 ppm2      8.557 CV     1
 ASSI {  288}
   (( segid "   A" and resid 177  and name HG2 ))
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.10537E-02 ppm1      2.322 ppm2      8.560 CV     1
 OR {  288}
   (( segid "   A" and resid 177  and name HG1 ))
   (( segid "   A" and resid 178  and name HN  ))
 ASSI {  290}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      0.961 ppm2      8.568 CV     1
 ASSI {  291}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.10399E-02 ppm1      1.943 ppm2      8.558 CV     1
 ASSI {  292}
   (( segid "   A" and resid 248  and name HA  ))
   (( segid "   A" and resid 249  and name HN  ))
      6.000     4.500     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.74659E-03 ppm1      4.438 ppm2      8.515 CV     1
 ASSI {  293}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 275  and name HN  ))
      6.000     4.500     0.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.87981E-03 ppm1      0.982 ppm2      8.524 CV     1
 ASSI {  294}
   (( segid "   A" and resid 248  and name HG2 ))
   (( segid "   A" and resid 249  and name HN  ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      1.377 ppm2      8.514 CV     1
 OR {  294}
   (( segid "   A" and resid 248  and name HG1 ))
   (( segid "   A" and resid 249  and name HN  ))
 ASSI {  295}
   (( segid "   A" and resid 204  and name HA  ))
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.37413E-02 ppm1      4.072 ppm2      8.480 CV     1
 ASSI {  296}
   (( segid "   A" and resid 274  and name HA  ))
   (( segid "   A" and resid 275  and name HN  ))
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.24368E-02 ppm1      4.336 ppm2      8.507 CV     1
 ASSI {  297}
   (( segid "   A" and resid 241  and name HA  ))
   (( segid "   A" and resid 242  and name HN  ))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.46969E-02 ppm1      4.155 ppm2      8.488 CV     1
 ASSI {  298}
   (( segid "   A" and resid 277  and name HA2 ))
   (( segid "   A" and resid 277  and name HN  ))
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      3.585 ppm2      8.482 CV     1
 ASSI {  299}
   (( segid "   A" and resid 275  and name HB2 ))
   (( segid "   A" and resid 275  and name HN  ))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.89831E-03 ppm1      2.109 ppm2      8.502 CV     1
 ASSI {  300}
   (( segid "   A" and resid 204  and name HG2 ))
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.20917E-02 ppm1      2.685 ppm2      8.487 CV     1
 ASSI {  301}
   (( segid "   A" and resid 204  and name HG1 ))
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.20751E-02 ppm1      2.320 ppm2      8.485 CV     1
 ASSI {  302}
   (( segid "   A" and resid 242  and name HB1 ))
   (( segid "   A" and resid 242  and name HN  ))
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.25451E-02 ppm1      1.642 ppm2      8.486 CV     1
 ASSI {  303}
   (( segid "   A" and resid 204  and name HB2 ))
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.14784E-02 ppm1      2.160 ppm2      8.484 CV     1
 ASSI {  304}
   (( segid "   A" and resid 204  and name HB1 ))
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.96770E-03 ppm1      2.086 ppm2      8.495 CV     1
 ASSI {  305}
   (( segid "   A" and resid 203  and name HB2 ))
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.27754E-02 ppm1      2.198 ppm2      8.486 CV     1
 OR {  305}
   (( segid "   A" and resid 203  and name HB1 ))
   (( segid "   A" and resid 204  and name HN  ))
 ASSI {  306}
   (( segid "   A" and resid 242  and name HG1 ))
   (( segid "   A" and resid 242  and name HN  ))
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.15598E-02 ppm1      1.600 ppm2      8.484 CV     1
 ASSI {  307}
   (  segid "   A" and resid 275  and name HD1%)
   (( segid "   A" and resid 275  and name HN  ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.81320E-03 ppm1      1.065 ppm2      8.501 CV     1
 ASSI {  308}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.11416E-02 ppm1      1.165 ppm2      8.484 CV     1
 ASSI {  309}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.76046E-03 ppm1      1.580 ppm2      8.484 CV     1
 ASSI {  311}
   (( segid "   A" and resid 249  and name HA  ))
   (( segid "   A" and resid 243  and name HN  ))
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.13711E-02 ppm1      5.394 ppm2      8.472 CV     1
 ASSI {  312}
   (( segid "   A" and resid 277  and name HA1 ))
   (( segid "   A" and resid 277  and name HN  ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.31547E-02 ppm1      4.088 ppm2      8.477 CV     1
 ASSI {  313}
   (( segid "   A" and resid 157  and name HB1 ))
   (( segid "   A" and resid 157  and name HN  ))
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.13600E-02 ppm1      2.967 ppm2      8.464 CV     1
 ASSI {  314}
   (( segid "   A" and resid 142  and name HB1 ))
   (( segid "   A" and resid 157  and name HN  ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.96029E-03 ppm1      2.837 ppm2      8.470 CV     1
 ASSI {  315}
   (( segid "   A" and resid 142  and name HB2 ))
   (( segid "   A" and resid 157  and name HN  ))
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.86685E-03 ppm1      2.638 ppm2      8.458 CV     1
 ASSI {  316}
   (( segid "   A" and resid 242  and name HB2 ))
   (( segid "   A" and resid 242  and name HN  ))
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.18577E-02 ppm1      1.386 ppm2      8.470 CV     1
 ASSI {  317}
   (( segid "   A" and resid 242  and name HG2 ))
   (( segid "   A" and resid 242  and name HN  ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.14044E-02 ppm1      1.347 ppm2      8.476 CV     1
 ASSI {  318}
   (  segid "   A" and resid 156  and name HB% )
   (( segid "   A" and resid 157  and name HN  ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.27680E-02 ppm1      0.852 ppm2      8.459 CV     1
 ASSI {  319}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 157  and name HN  ))
      6.000     4.500     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.73178E-03 ppm1      0.611 ppm2      8.463 CV     1
 ASSI {  320}
   (( segid "   A" and resid 245  and name HB  ))
   (( segid "   A" and resid 245  and name HN  ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.13276E-02 ppm1      4.295 ppm2      8.432 CV     1
 ASSI {  321}
   (( segid "   A" and resid 245  and name HA  ))
   (( segid "   A" and resid 245  and name HN  ))
      6.000     4.500     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.13507E-02 ppm1      4.237 ppm2      8.440 CV     1
 ASSI {  322}
   (( segid "   A" and resid 157  and name HA  ))
   (( segid "   A" and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.96677E-03 ppm1      5.479 ppm2      8.409 CV     1
 ASSI {  323}
   (( segid "   A" and resid 247  and name HA1 ))
   (( segid "   A" and resid 247  and name HN  ))
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.17790E-02 ppm1      4.245 ppm2      8.429 CV     1
 ASSI {  324}
   (( segid "   A" and resid 247  and name HA2 ))
   (( segid "   A" and resid 247  and name HN  ))
      6.000     4.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.19863E-02 ppm1      3.796 ppm2      8.432 CV     1
 ASSI {  325}
   (( segid "   A" and resid 243  and name HB1 ))
   (( segid "   A" and resid 243  and name HN  ))
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.20547E-02 ppm1      3.175 ppm2      8.445 CV     1
 ASSI {  326}
   (( segid "   A" and resid 243  and name HB2 ))
   (( segid "   A" and resid 243  and name HN  ))
      6.000     4.500     0.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.21519E-02 ppm1      2.426 ppm2      8.443 CV     1
 ASSI {  327}
   (( segid "   A" and resid 244  and name HG2 ))
   (( segid "   A" and resid 245  and name HN  ))
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.82892E-03 ppm1      2.091 ppm2      8.449 CV     1
 ASSI {  328}
   (  segid "   A" and resid 245  and name HG2%)
   (( segid "   A" and resid 245  and name HN  ))
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.19419E-02 ppm1      1.256 ppm2      8.450 CV     1
 ASSI {  329}
   (  segid "   A" and resid 246  and name HG2%)
   (( segid "   A" and resid 247  and name HN  ))
      6.000     4.500     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.11888E-02 ppm1      1.205 ppm2      8.437 CV     1
 ASSI {  330}
   (( segid "   A" and resid 253  and name HA1 ))
   (( segid "   A" and resid 241  and name HN  ))
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.10963E-02 ppm1      4.051 ppm2      8.398 CV     1
 ASSI {  331}
   (  segid "   A" and resid 116  and name HG1%)
   (( segid "   A" and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.11351E-02 ppm1      0.301 ppm2      8.397 CV     1
 ASSI {  332}
   (( segid "   A" and resid 226  and name HA  ))
   (( segid "   A" and resid 226  and name HN  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.13581E-02 ppm1      3.696 ppm2      8.373 CV     1
 ASSI {  333}
   (( segid "   A" and resid 225  and name HB  ))
   (( segid "   A" and resid 226  and name HN  ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.17679E-02 ppm1      1.852 ppm2      8.380 CV     1
 ASSI {  334}
   (( segid "   A" and resid 226  and name HB1 ))
   (( segid "   A" and resid 226  and name HN  ))
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.13128E-02 ppm1      2.006 ppm2      8.387 CV     1
 OR {  334}
   (( segid "   A" and resid 226  and name HB2 ))
   (( segid "   A" and resid 226  and name HN  ))
 ASSI {  335}
   (( segid "   A" and resid 226  and name HD2 ))
   (( segid "   A" and resid 226  and name HN  ))
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.96955E-03 ppm1      1.662 ppm2      8.392 CV     1
 OR {  335}
   (( segid "   A" and resid 226  and name HD1 ))
   (( segid "   A" and resid 226  and name HN  ))
 ASSI {  336}
   (( segid "   A" and resid 181  and name HG1 ))
   (( segid "   A" and resid 182  and name HN  ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.95104E-03 ppm1      1.544 ppm2      8.380 CV     1
 OR {  336}
   (( segid "   A" and resid 225  and name HG12))
   (( segid "   A" and resid 226  and name HN  ))
 OR {  336}
   (( segid "   A" and resid 181  and name HG2 ))
   (( segid "   A" and resid 182  and name HN  ))
 ASSI {  337}
   (( segid "   A" and resid 240  and name HG  ))
   (( segid "   A" and resid 241  and name HN  ))
      6.000     4.500     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.74844E-03 ppm1      1.145 ppm2      8.384 CV     1
 ASSI {  338}
   (( segid "   A" and resid 226  and name HG2 ))
   (( segid "   A" and resid 226  and name HN  ))
      6.000     4.500     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.82060E-03 ppm1      1.355 ppm2      8.364 CV     1
 OR {  338}
   (( segid "   A" and resid 226  and name HG2 ))
   (( segid "   A" and resid 229  and name HN  ))
 ASSI {  339}
   (  segid "   A" and resid 240  and name HD2%)
   (( segid "   A" and resid 241  and name HN  ))
      6.000     4.500     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.22860E-02 ppm1      0.099 ppm2      8.377 CV     1
 ASSI {  340}
   (  segid "   A" and resid 241  and name HB% )
   (( segid "   A" and resid 241  and name HN  ))
      6.000     4.500     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.60282E-02 ppm1      0.793 ppm2      8.379 CV     1
 ASSI {  341}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.17152E-02 ppm1      0.631 ppm2      8.367 CV     1
 OR {  341}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 226  and name HN  ))
 ASSI {  342}
   (( segid "   A" and resid 229  and name HA  ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.15663E-02 ppm1      4.207 ppm2      8.339 CV     1
 ASSI {  343}
   (( segid "   A" and resid 226  and name HA  ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.17494E-02 ppm1      3.686 ppm2      8.335 CV     1
 ASSI {  344}
   (( segid "   A" and resid 264  and name HA  ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.11796E-02 ppm1      3.961 ppm2      8.340 CV     1
 ASSI {  345}
   (( segid "   A" and resid 265  and name HB1 ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.14395E-02 ppm1      2.781 ppm2      8.336 CV     1
 ASSI {  346}
   (( segid "   A" and resid 265  and name HB2 ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.13674E-02 ppm1      2.733 ppm2      8.340 CV     1
 ASSI {  347}
   (( segid "   A" and resid 182  and name HB1 ))
   (( segid "   A" and resid 182  and name HN  ))
      6.000     4.500     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.12628E-02 ppm1      2.522 ppm2      8.362 CV     1
 OR {  347}
   (( segid "   A" and resid 182  and name HB2 ))
   (( segid "   A" and resid 182  and name HN  ))
 ASSI {  348}
   (( segid "   A" and resid 229  and name HB1 ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.80395E-03 ppm1      3.498 ppm2      8.346 CV     1
 ASSI {  349}
   (( segid "   A" and resid 229  and name HB2 ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      2.816 ppm2      8.341 CV     1
 ASSI {  350}
   (( segid "   A" and resid 264  and name HB1 ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.22092E-02 ppm1      2.111 ppm2      8.341 CV     1
 OR {  350}
   (( segid "   A" and resid 264  and name HB2 ))
   (( segid "   A" and resid 265  and name HN  ))
 ASSI {  351}
   (( segid "   A" and resid 183  and name HG12))
   (( segid "   A" and resid 183  and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1      1.511 ppm2      8.357 CV     1
 ASSI {  352}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.17134E-02 ppm1      1.000 ppm2      8.343 CV     1
 ASSI {  353}
   (  segid "   A" and resid 148  and name HG1%)
   (( segid "   A" and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.21047E-02 ppm1      0.979 ppm2      8.338 CV     1
 ASSI {  354}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.10103E-02 ppm1      0.490 ppm2      8.343 CV     1
 ASSI {  355}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 183  and name HN  ))
      6.000     4.500     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      0.961 ppm2      8.355 CV     1
 ASSI {  356}
   (  segid "   A" and resid 183  and name HD1%)
   (( segid "   A" and resid 183  and name HN  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.10981E-02 ppm1      0.882 ppm2      8.355 CV     1
 ASSI {  357}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.12221E-02 ppm1      0.689 ppm2      8.347 CV     1
 ASSI {  358}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1     -0.116 ppm2      8.345 CV     1
 ASSI {  359}
   (( segid "   A" and resid 265  and name HA  ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.19104E-02 ppm1      4.267 ppm2      8.332 CV     1
 ASSI {  360}
   (( segid "   A" and resid 258  and name HG1 ))
   (( segid "   A" and resid 258  and name HN  ))
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.21833E-02 ppm1      2.230 ppm2      8.313 CV     1
 ASSI {  361}
   (( segid "   A" and resid 258  and name HG2 ))
   (( segid "   A" and resid 258  and name HN  ))
      6.000     4.500     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.19918E-02 ppm1      2.139 ppm2      8.314 CV     1
 ASSI {  362}
   (( segid "   A" and resid 264  and name HG2 ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.21176E-02 ppm1      2.387 ppm2      8.322 CV     1
 OR {  362}
   (( segid "   A" and resid 264  and name HG1 ))
   (( segid "   A" and resid 265  and name HN  ))
 ASSI {  363}
   (( segid "   A" and resid 148  and name HB  ))
   (( segid "   A" and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.11213E-02 ppm1      2.259 ppm2      8.329 CV     1
 ASSI {  364}
   (( segid "   A" and resid 258  and name HB1 ))
   (( segid "   A" and resid 258  and name HN  ))
      6.000     4.500     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.21519E-02 ppm1      2.219 ppm2      8.310 CV     1
 ASSI {  365}
   (( segid "   A" and resid 258  and name HB2 ))
   (( segid "   A" and resid 258  and name HN  ))
      6.000     4.500     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.22703E-02 ppm1      1.959 ppm2      8.307 CV     1
 ASSI {  366}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 258  and name HN  ))
      6.000     4.500     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.82892E-03 ppm1      1.363 ppm2      8.312 CV     1
 OR {  366}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 258  and name HN  ))
 ASSI {  367}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.96029E-03 ppm1      1.269 ppm2      8.326 CV     1
 ASSI {  368}
   (( segid "   A" and resid 176  and name HA  ))
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.58867E-02 ppm1      4.065 ppm2      8.282 CV     1
 ASSI {  369}
   (( segid "   A" and resid 258  and name HA  ))
   (( segid "   A" and resid 258  and name HN  ))
      6.000     4.500     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      4.106 ppm2      8.297 CV     1
 ASSI {  370}
   (( segid "   A" and resid 124  and name HA1 ))
   (( segid "   A" and resid 124  and name HN  ))
      6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.14229E-02 ppm1      3.945 ppm2      8.289 CV     1
 ASSI {  371}
   (( segid "   A" and resid 146  and name HB1 ))
   (( segid "   A" and resid 146  and name HN  ))
      6.000     4.500     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.87056E-03 ppm1      3.126 ppm2      8.278 CV     1
 ASSI {  373}
   (( segid "   A" and resid 223  and name HB1 ))
   (( segid "   A" and resid 223  and name HN  ))
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.10417E-02 ppm1      2.627 ppm2      8.290 CV     1
 ASSI {  374}
   (( segid "   A" and resid 223  and name HB2 ))
   (( segid "   A" and resid 223  and name HN  ))
      6.000     4.500     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      2.517 ppm2      8.293 CV     1
 ASSI {  375}
   (( segid "   A" and resid 177  and name HB1 ))
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.21676E-02 ppm1      1.930 ppm2      8.277 CV     1
 ASSI {  376}
   (( segid "   A" and resid 177  and name HB2 ))
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.22675E-02 ppm1      1.799 ppm2      8.282 CV     1
 ASSI {  377}
   (( segid "   A" and resid 176  and name HB  ))
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.22546E-02 ppm1      2.087 ppm2      8.294 CV     1
 ASSI {  378}
   (( segid "   A" and resid 177  and name HG2 ))
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.15616E-02 ppm1      2.289 ppm2      8.295 CV     1
 ASSI {  379}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 124  and name HN  ))
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.12776E-02 ppm1      0.950 ppm2      8.295 CV     1
 ASSI {  380}
   (  segid "   A" and resid 176  and name HG1%)
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.21361E-02 ppm1      1.037 ppm2      8.280 CV     1
 ASSI {  381}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.36524E-02 ppm1      0.907 ppm2      8.286 CV     1
 ASSI {  382}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.12055E-02 ppm1      1.941 ppm2      8.292 CV     1
 ASSI {  383}
   (( segid "   A" and resid 215  and name HA  ))
   (( segid "   A" and resid 215  and name HN  ))
      6.000     4.500     0.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.40040E-02 ppm1      3.876 ppm2      8.262 CV     1
 ASSI {  384}
   (( segid "   A" and resid 278  and name HA  ))
   (( segid "   A" and resid 279  and name HN  ))
      6.000     4.500     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.33897E-02 ppm1      4.359 ppm2      8.249 CV     1
 ASSI {  385}
   (( segid "   A" and resid 214  and name HA  ))
   (( segid "   A" and resid 215  and name HN  ))
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.15246E-02 ppm1      5.129 ppm2      8.264 CV     1
 ASSI {  386}
   (( segid "   A" and resid 146  and name HB2 ))
   (( segid "   A" and resid 146  and name HN  ))
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.91034E-03 ppm1      2.317 ppm2      8.267 CV     1
 ASSI {  387}
   (( segid "   A" and resid 279  and name HB2 ))
   (( segid "   A" and resid 279  and name HN  ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.10991E-02 ppm1      2.754 ppm2      8.261 CV     1
 ASSI {  388}
   (( segid "   A" and resid 279  and name HB1 ))
   (( segid "   A" and resid 279  and name HN  ))
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.94734E-03 ppm1      2.558 ppm2      8.262 CV     1
 ASSI {  389}
   (( segid "   A" and resid 145  and name HB1 ))
   (( segid "   A" and resid 145  and name HN  ))
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12110E-02 ppm1      3.078 ppm2      8.273 CV     1
 ASSI {  390}
   (( segid "   A" and resid 145  and name HB2 ))
   (( segid "   A" and resid 145  and name HN  ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.10232E-02 ppm1      3.030 ppm2      8.263 CV     1
 ASSI {  391}
   (( segid "   A" and resid 278  and name HB2 ))
   (( segid "   A" and resid 279  and name HN  ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.13711E-02 ppm1      2.146 ppm2      8.260 CV     1
 ASSI {  392}
   (( segid "   A" and resid 278  and name HB1 ))
   (( segid "   A" and resid 279  and name HN  ))
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      1.959 ppm2      8.268 CV     1
 ASSI {  393}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 215  and name HN  ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.42723E-02 ppm1      1.289 ppm2      8.264 CV     1
 ASSI {  395}
   (( segid "   A" and resid 140  and name HB2 ))
   (( segid "   A" and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.17208E-02 ppm1      3.704 ppm2      8.220 CV     1
 ASSI {  396}
   (( segid "   A" and resid 140  and name HA  ))
   (( segid "   A" and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.13183E-02 ppm1      4.498 ppm2      8.227 CV     1
 ASSI {  397}
   (( segid "   A" and resid 205  and name HA  ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.18447E-02 ppm1      3.883 ppm2      8.218 CV     1
 ASSI {  398}
   (( segid "   A" and resid 141  and name HB  ))
   (( segid "   A" and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.17263E-02 ppm1      1.636 ppm2      8.219 CV     1
 ASSI {  402}
   (( segid "   A" and resid 204  and name HB2 ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.99822E-03 ppm1      2.185 ppm2      8.230 CV     1
 ASSI {  404}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.11333E-02 ppm1      2.009 ppm2      8.237 CV     1
 OR {  404}
   (( segid "   A" and resid 206  and name HB1 ))
   (( segid "   A" and resid 205  and name HN  ))
 ASSI {  406}
   (  segid "   A" and resid 201  and name HD2%)
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.92236E-03 ppm1      0.817 ppm2      8.227 CV     1
 ASSI {  408}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.80617E-02 ppm1      1.163 ppm2      8.219 CV     1
 ASSI {  409}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.97695E-03 ppm1      1.577 ppm2      8.222 CV     1
 ASSI {  410}
   (  segid "   A" and resid 141  and name HG2%)
   (( segid "   A" and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.81782E-03 ppm1      0.610 ppm2      8.218 CV     1
 ASSI {  411}
   (( segid "   A" and resid 239  and name HB  ))
   (( segid "   A" and resid 239  and name HN  ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.29429E-02 ppm1      3.953 ppm2      8.194 CV     1
 ASSI {  412}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.15940E-02 ppm1      3.775 ppm2      8.213 CV     1
 ASSI {  413}
   (( segid "   A" and resid 204  and name HA  ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.19937E-02 ppm1      4.071 ppm2      8.209 CV     1
 ASSI {  414}
   (( segid "   A" and resid 111  and name HA  ))
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.15774E-02 ppm1      3.915 ppm2      8.193 CV     1
 ASSI {  415}
   (( segid "   A" and resid 202  and name HA  ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.17763E-02 ppm1      3.946 ppm2      8.203 CV     1
 ASSI {  416}
   (( segid "   A" and resid 110  and name HB  ))
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.17864E-02 ppm1      1.889 ppm2      8.197 CV     1
 ASSI {  417}
   (( segid "   A" and resid 111  and name HB2 ))
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.11046E-02 ppm1      2.313 ppm2      8.200 CV     1
 ASSI {  418}
   (( segid "   A" and resid 111  and name HG2 ))
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.11629E-02 ppm1      2.618 ppm2      8.191 CV     1
 OR {  418}
   (( segid "   A" and resid 111  and name HG1 ))
   (( segid "   A" and resid 111  and name HN  ))
 ASSI {  419}
   (( segid "   A" and resid 171  and name HB2 ))
   (( segid "   A" and resid 172  and name HN  ))
      6.000     4.500     0.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      2.070 ppm2      8.191 CV     1
 ASSI {  420}
   (( segid "   A" and resid 110  and name HG11))
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.14062E-02 ppm1      1.733 ppm2      8.203 CV     1
 ASSI {  421}
   (  segid "   A" and resid 239  and name HG2%)
   (( segid "   A" and resid 239  and name HN  ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.15135E-02 ppm1      1.187 ppm2      8.200 CV     1
 ASSI {  422}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.16921E-02 ppm1      0.857 ppm2      8.191 CV     1
 ASSI {  423}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.78729E-03 ppm1      0.552 ppm2      8.201 CV     1
 ASSI {  424}
   (  segid "   A" and resid 111  and name HE% )
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.89831E-03 ppm1      1.983 ppm2      8.199 CV     1
 ASSI {  425}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.14747E-02 ppm1      0.747 ppm2      8.195 CV     1
 OR {  425}
   (  segid "   A" and resid 141  and name HD1%)
   (( segid "   A" and resid 141  and name HN  ))
 ASSI {  426}
   (( segid "   A" and resid 118  and name HA  ))
   (( segid "   A" and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.11610E-02 ppm1      3.992 ppm2      8.175 CV     1
 ASSI {  427}
   (( segid "   A" and resid 108  and name HA  ))
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.25969E-02 ppm1      4.032 ppm2      8.168 CV     1
 ASSI {  428}
   (( segid "   A" and resid 108  and name HB2 ))
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      1.492 ppm2      8.160 CV     1
 ASSI {  429}
   (  segid "   A" and resid 108  and name HD1%)
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.28198E-02 ppm1      0.847 ppm2      8.158 CV     1
 ASSI {  430}
   (  segid "   A" and resid 108  and name HD2%)
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.21778E-02 ppm1      0.884 ppm2      8.163 CV     1
 ASSI {  431}
   (( segid "   A" and resid 215  and name HA  ))
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      3.879 ppm2      8.131 CV     1
 ASSI {  432}
   (( segid "   A" and resid 251  and name HA1 ))
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.88998E-03 ppm1      4.175 ppm2      8.132 CV     1
 ASSI {  433}
   (( segid "   A" and resid 108  and name HB1 ))
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.20520E-02 ppm1      1.825 ppm2      8.158 CV     1
 ASSI {  434}
   (( segid "   A" and resid 108  and name HG  ))
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.31806E-02 ppm1      1.726 ppm2      8.156 CV     1
 ASSI {  435}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.31658E-02 ppm1      1.490 ppm2      8.152 CV     1
 ASSI {  436}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.91959E-03 ppm1      0.704 ppm2      8.143 CV     1
 ASSI {  437}
   (( segid "   A" and resid 171  and name HA  ))
   (( segid "   A" and resid 173  and name HN  ))
      6.000     4.500     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.17050E-02 ppm1      4.062 ppm2      8.126 CV     1
 OR {  437}
   (( segid "   A" and resid 130  and name HA  ))
   (( segid "   A" and resid 132  and name HN  ))
 ASSI {  438}
   (( segid "   A" and resid 173  and name HA  ))
   (( segid "   A" and resid 173  and name HN  ))
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.12295E-02 ppm1      5.067 ppm2      8.105 CV     1
 ASSI {  439}
   (( segid "   A" and resid 214  and name HA  ))
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.80580E-03 ppm1      5.145 ppm2      8.123 CV     1
 ASSI {  440}
   (( segid "   A" and resid 218  and name HG2 ))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.20076E-02 ppm1      2.126 ppm2      8.100 CV     1
 ASSI {  441}
   (( segid "   A" and resid 216  and name HB  ))
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.11462E-02 ppm1      1.293 ppm2      8.122 CV     1
 ASSI {  442}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.82985E-03 ppm1      1.288 ppm2      8.121 CV     1
 ASSI {  443}
   (  segid "   A" and resid 216  and name HG1%)
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.15043E-02 ppm1      0.688 ppm2      8.114 CV     1
 ASSI {  444}
   (  segid "   A" and resid 216  and name HG2%)
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.33000E-02 ppm1      0.389 ppm2      8.121 CV     1
 ASSI {  445}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 173  and name HN  ))
      6.000     4.500     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.15829E-02 ppm1      1.401 ppm2      8.109 CV     1
 OR {  445}
   (  segid "   A" and resid 173  and name HE% )
   (( segid "   A" and resid 132  and name HN  ))
 ASSI {  446}
   (( segid "   A" and resid 128  and name HA  ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.13581E-02 ppm1      3.746 ppm2      8.084 CV     1
 ASSI {  447}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.44037E-02 ppm1      3.908 ppm2      8.093 CV     1
 ASSI {  448}
   (( segid "   A" and resid 218  and name HA  ))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.20205E-02 ppm1      3.655 ppm2      8.095 CV     1
 ASSI {  449}
   (( segid "   A" and resid 218  and name HG1 ))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.17309E-02 ppm1      2.228 ppm2      8.090 CV     1
 ASSI {  450}
   (( segid "   A" and resid 218  and name HB1 ))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.26154E-02 ppm1      1.871 ppm2      8.094 CV     1
 ASSI {  451}
   (( segid "   A" and resid 218  and name HB2 ))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.23480E-02 ppm1      1.808 ppm2      8.092 CV     1
 ASSI {  452}
   (( segid "   A" and resid 130  and name HB2 ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.11009E-02 ppm1      2.182 ppm2      8.083 CV     1
 OR {  452}
   (( segid "   A" and resid 130  and name HB1 ))
   (( segid "   A" and resid 132  and name HN  ))
 ASSI {  453}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 173  and name HN  ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.20936E-02 ppm1      1.011 ppm2      8.090 CV     1
 OR {  453}
   (  segid "   A" and resid 176  and name HG1%)
   (( segid "   A" and resid 173  and name HN  ))
 ASSI {  454}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.27088E-02 ppm1      1.463 ppm2      8.098 CV     1
 ASSI {  455}
   (  segid "   A" and resid 138  and name HD1%)
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.85390E-03 ppm1      0.778 ppm2      8.084 CV     1
 ASSI {  456}
   (( segid "   A" and resid 233  and name HA2 ))
   (( segid "   A" and resid 234  and name HN  ))
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.11685E-02 ppm1      3.903 ppm2      8.049 CV     1
 ASSI {  458}
   (( segid "   A" and resid 167  and name HG2 ))
   (( segid "   A" and resid 167  and name HE22))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.11851E-02 ppm1      2.345 ppm2      8.051 CV     1
 ASSI {  460}
   (( segid "   A" and resid 234  and name HB2 ))
   (( segid "   A" and resid 234  and name HN  ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.26080E-02 ppm1      1.795 ppm2      8.060 CV     1
 OR {  460}
   (( segid "   A" and resid 234  and name HB1 ))
   (( segid "   A" and resid 234  and name HN  ))
 ASSI {  461}
   (( segid "   A" and resid 284  and name HE1 ))
   (( segid "   A" and resid 167  and name HE22))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.12573E-02 ppm1      3.011 ppm2      8.018 CV     1
 OR {  461}
   (( segid "   A" and resid 284  and name HE2 ))
   (( segid "   A" and resid 167  and name HE22))
 ASSI {  462}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.85760E-03 ppm1      0.937 ppm2      8.020 CV     1
 ASSI {  463}
   (  segid "   A" and resid 114  and name HG1%)
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.85483E-03 ppm1      0.898 ppm2      8.031 CV     1
 ASSI {  464}
   (( segid "   A" and resid 202  and name HA  ))
   (( segid "   A" and resid 202  and name HN  ))
      6.000     4.500     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.28198E-02 ppm1      3.942 ppm2      7.997 CV     1
 ASSI {  465}
   (( segid "   A" and resid 183  and name HB  ))
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.16893E-02 ppm1      2.035 ppm2      7.991 CV     1
 ASSI {  466}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 202  and name HN  ))
      6.000     4.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.11037E-02 ppm1      0.808 ppm2      7.994 CV     1
 OR {  466}
   (  segid "   A" and resid 201  and name HD1%)
   (( segid "   A" and resid 198  and name HN  ))
 ASSI {  467}
   (( segid "   A" and resid 184  and name HG1 ))
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.85853E-03 ppm1      1.464 ppm2      7.992 CV     1
 ASSI {  468}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 202  and name HN  ))
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.77989E-03 ppm1      1.161 ppm2      7.999 CV     1
 ASSI {  469}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 202  and name HN  ))
      6.000     4.500     0.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.81144E-02 ppm1      1.580 ppm2      7.999 CV     1
 ASSI {  470}
   (  segid "   A" and resid 183  and name HD1%)
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      0.883 ppm2      7.988 CV     1
 ASSI {  471}
   (( segid "   A" and resid 198  and name HA  ))
   (( segid "   A" and resid 198  and name HN  ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.11148E-02 ppm1      3.567 ppm2      7.978 CV     1
 ASSI {  472}
   (( segid "   A" and resid 135  and name HA  ))
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.12591E-02 ppm1      3.898 ppm2      7.967 CV     1
 OR {  472}
   (( segid "   A" and resid 119  and name HA  ))
   (( segid "   A" and resid 184  and name HN  ))
 ASSI {  473}
   (( segid "   A" and resid 247  and name HA1 ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.78637E-03 ppm1      4.246 ppm2      7.967 CV     1
 ASSI {  474}
   (( segid "   A" and resid 132  and name HB1 ))
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.75121E-03 ppm1      2.871 ppm2      7.961 CV     1
 ASSI {  475}
   (( segid "   A" and resid 198  and name HB  ))
   (( segid "   A" and resid 198  and name HN  ))
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.24072E-02 ppm1      2.008 ppm2      7.977 CV     1
 ASSI {  476}
   (( segid "   A" and resid 184  and name HB2 ))
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.12351E-02 ppm1      1.757 ppm2      7.972 CV     1
 ASSI {  477}
   (( segid "   A" and resid 184  and name HB1 ))
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.11361E-02 ppm1      1.606 ppm2      7.972 CV     1
 ASSI {  478}
   (( segid "   A" and resid 198  and name HG11))
   (( segid "   A" and resid 198  and name HN  ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.10639E-02 ppm1      1.231 ppm2      7.972 CV     1
 ASSI {  479}
   (  segid "   A" and resid 131  and name HB% )
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.32176E-02 ppm1      1.460 ppm2      7.960 CV     1
 ASSI {  480}
   (  segid "   A" and resid 183  and name HG2%)
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.20806E-02 ppm1      0.961 ppm2      7.977 CV     1
 ASSI {  481}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 198  and name HN  ))
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.15135E-02 ppm1      0.893 ppm2      7.980 CV     1
 ASSI {  482}
   (  segid "   A" and resid 133  and name HB% )
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.10352E-02 ppm1      1.625 ppm2      7.968 CV     1
 ASSI {  483}
   (  segid "   A" and resid 128  and name HG2%)
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.20279E-02 ppm1      0.550 ppm2      7.965 CV     1
 ASSI {  484}
   (  segid "   A" and resid 173  and name HE% )
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.11851E-02 ppm1      1.404 ppm2      7.973 CV     1
 ASSI {  485}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 198  and name HN  ))
      6.000     4.500     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.31991E-02 ppm1      0.942 ppm2      7.961 CV     1
 ASSI {  486}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 198  and name HN  ))
      6.000     4.500     0.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.26302E-02 ppm1      0.741 ppm2      7.975 CV     1
 ASSI {  487}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 198  and name HN  ))
      6.000     4.500     0.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.74196E-03 ppm1      0.811 ppm2      7.977 CV     1
 ASSI {  489}
   (( segid "   A" and resid 127  and name HA  ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.80857E-03 ppm1      4.023 ppm2      7.937 CV     1
 ASSI {  491}
   (( segid "   A" and resid 227  and name HB2 ))
   (( segid "   A" and resid 227  and name HN  ))
      6.000     4.500     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.34313E-02 ppm1      4.036 ppm2      7.946 CV     1
 ASSI {  492}
   (( segid "   A" and resid 227  and name HA  ))
   (( segid "   A" and resid 227  and name HN  ))
      6.000     4.500     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.14395E-02 ppm1      4.240 ppm2      7.943 CV     1
 ASSI {  493}
   (( segid "   A" and resid 129  and name HA  ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.14969E-02 ppm1      3.688 ppm2      7.934 CV     1
 ASSI {  494}
   (( segid "   A" and resid 130  and name HA  ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.36941E-02 ppm1      4.053 ppm2      7.948 CV     1
 ASSI {  495}
   (( segid "   A" and resid 224  and name HA  ))
   (( segid "   A" and resid 227  and name HN  ))
      6.000     4.500     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.97140E-03 ppm1      4.382 ppm2      7.945 CV     1
 ASSI {  496}
   (( segid "   A" and resid 265  and name HA  ))
   (( segid "   A" and resid 266  and name HN  ))
      6.000     4.500     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.91496E-03 ppm1      4.276 ppm2      7.936 CV     1
 ASSI {  497}
   (( segid "   A" and resid 131  and name HA  ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.84003E-03 ppm1      4.216 ppm2      7.933 CV     1
 ASSI {  498}
   (( segid "   A" and resid 247  and name HA2 ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.82060E-03 ppm1      3.795 ppm2      7.948 CV     1
 ASSI {  499}
   (( segid "   A" and resid 243  and name HB1 ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.91404E-03 ppm1      3.183 ppm2      7.945 CV     1
 OR {  499}
   (( segid "   A" and resid 129  and name HD1 ))
   (( segid "   A" and resid 130  and name HN  ))
 ASSI {  500}
   (( segid "   A" and resid 274  and name HB1 ))
   (( segid "   A" and resid 274  and name HN  ))
      6.000     4.500     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      2.232 ppm2      7.926 CV     1
 ASSI {  501}
   (( segid "   A" and resid 265  and name HB2 ))
   (( segid "   A" and resid 266  and name HN  ))
      6.000     4.500     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      2.732 ppm2      7.929 CV     1
 ASSI {  502}
   (( segid "   A" and resid 130  and name HG2 ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.25821E-02 ppm1      2.563 ppm2      7.949 CV     1
 ASSI {  503}
   (( segid "   A" and resid 130  and name HG1 ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.29725E-02 ppm1      2.432 ppm2      7.944 CV     1
 ASSI {  504}
   (( segid "   A" and resid 195  and name HG2 ))
   (( segid "   A" and resid 195  and name HE22))
      6.000     4.500     0.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.24109E-02 ppm1      2.389 ppm2      7.924 CV     1
 OR {  504}
   (( segid "   A" and resid 195  and name HG1 ))
   (( segid "   A" and resid 195  and name HE22))
 ASSI {  505}
   (( segid "   A" and resid 248  and name HB2 ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.15320E-02 ppm1      1.848 ppm2      7.948 CV     1
 ASSI {  506}
   (( segid "   A" and resid 248  and name HB1 ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.15561E-02 ppm1      1.642 ppm2      7.940 CV     1
 ASSI {  507}
   (( segid "   A" and resid 226  and name HB2 ))
   (( segid "   A" and resid 227  and name HN  ))
      6.000     4.500     0.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.11555E-02 ppm1      2.011 ppm2      7.943 CV     1
 ASSI {  508}
   (( segid "   A" and resid 228  and name HB  ))
   (( segid "   A" and resid 274  and name HN  ))
      6.000     4.500     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.81135E-03 ppm1      2.082 ppm2      7.945 CV     1
 OR {  508}
   (( segid "   A" and resid 228  and name HB  ))
   (( segid "   A" and resid 227  and name HN  ))
 ASSI {  509}
   (( segid "   A" and resid 129  and name HB2 ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.14691E-02 ppm1      1.962 ppm2      7.948 CV     1
 ASSI {  510}
   (( segid "   A" and resid 129  and name HB1 ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.20261E-02 ppm1      1.893 ppm2      7.926 CV     1
 ASSI {  511}
   (( segid "   A" and resid 130  and name HB2 ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.82402E-02 ppm1      2.189 ppm2      7.947 CV     1
 ASSI {  512}
   (( segid "   A" and resid 248  and name HD1 ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.14654E-02 ppm1      1.615 ppm2      7.950 CV     1
 OR {  512}
   (( segid "   A" and resid 248  and name HD2 ))
   (( segid "   A" and resid 248  and name HN  ))
 ASSI {  513}
   (( segid "   A" and resid 264  and name HB1 ))
   (( segid "   A" and resid 266  and name HN  ))
      6.000     4.500     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.95382E-03 ppm1      2.114 ppm2      7.939 CV     1
 OR {  513}
   (( segid "   A" and resid 264  and name HB2 ))
   (( segid "   A" and resid 266  and name HN  ))
 ASSI {  514}
   (( segid "   A" and resid 198  and name HG12))
   (( segid "   A" and resid 195  and name HE22))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.13655E-02 ppm1      1.626 ppm2      7.940 CV     1
 ASSI {  515}
   (( segid "   A" and resid 248  and name HG1 ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.30243E-02 ppm1      1.375 ppm2      7.945 CV     1
 OR {  515}
   (( segid "   A" and resid 248  and name HG2 ))
   (( segid "   A" and resid 248  and name HN  ))
 ASSI {  516}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 274  and name HN  ))
      6.000     4.500     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17050E-02 ppm1      1.005 ppm2      7.928 CV     1
 OR {  516}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 227  and name HN  ))
 OR {  516}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 266  and name HN  ))
 ASSI {  517}
   (  segid "   A" and resid 246  and name HG2%)
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.82707E-03 ppm1      1.207 ppm2      7.951 CV     1
 ASSI {  518}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 266  and name HN  ))
      6.000     4.500     0.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.55749E-02 ppm1      1.265 ppm2      7.936 CV     1
 ASSI {  519}
   (( segid "   A" and resid 273  and name HA  ))
   (( segid "   A" and resid 274  and name HN  ))
      6.000     4.500     0.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.23221E-02 ppm1      4.318 ppm2      7.922 CV     1
 ASSI {  520}
   (( segid "   A" and resid 274  and name HA  ))
   (( segid "   A" and resid 274  and name HN  ))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.11870E-02 ppm1      4.334 ppm2      7.916 CV     1
 ASSI {  521}
   (( segid "   A" and resid 274  and name HB2 ))
   (( segid "   A" and resid 274  and name HN  ))
      6.000     4.500     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.13674E-02 ppm1      2.482 ppm2      7.922 CV     1
 ASSI {  522}
   (( segid "   A" and resid 272  and name HG  ))
   (( segid "   A" and resid 271  and name HD21))
      6.000     4.500     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.10648E-02 ppm1      1.514 ppm2      7.904 CV     1
 OR {  522}
   (( segid "   A" and resid 225  and name HG12))
   (( segid "   A" and resid 220  and name HN  ))
 OR {  522}
   (( segid "   A" and resid 272  and name HG  ))
   (( segid "   A" and resid 274  and name HN  ))
 ASSI {  523}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 271  and name HD21))
      6.000     4.500     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.19650E-02 ppm1      0.821 ppm2      7.912 CV     1
 ASSI {  524}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 271  and name HD21))
      6.000     4.500     0.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.14599E-02 ppm1      0.718 ppm2      7.906 CV     1
 ASSI {  525}
   (( segid "   A" and resid 220  and name HB1 ))
   (( segid "   A" and resid 220  and name HN  ))
      6.000     4.500     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.86038E-03 ppm1      2.002 ppm2      7.881 CV     1
 ASSI {  526}
   (( segid "   A" and resid 220  and name HB2 ))
   (( segid "   A" and resid 220  and name HN  ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.78359E-03 ppm1      1.300 ppm2      7.884 CV     1
 ASSI {  527}
   (( segid "   A" and resid 271  and name HB1 ))
   (( segid "   A" and resid 271  and name HN  ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.27347E-02 ppm1      2.848 ppm2      7.870 CV     1
 ASSI {  528}
   (( segid "   A" and resid 220  and name HG  ))
   (( segid "   A" and resid 220  and name HN  ))
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.15246E-02 ppm1      1.622 ppm2      7.890 CV     1
 ASSI {  529}
   (  segid "   A" and resid 220  and name HD2%)
   (( segid "   A" and resid 220  and name HN  ))
      6.000     4.500     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.13692E-02 ppm1      0.925 ppm2      7.882 CV     1
 ASSI {  530}
   (  segid "   A" and resid 220  and name HD1%)
   (( segid "   A" and resid 220  and name HN  ))
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.16838E-02 ppm1      0.717 ppm2      7.880 CV     1
 ASSI {  531}
   (( segid "   A" and resid 271  and name HB2 ))
   (( segid "   A" and resid 271  and name HN  ))
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.26635E-02 ppm1      2.939 ppm2      7.862 CV     1
 ASSI {  532}
   (( segid "   A" and resid 282  and name HB  ))
   (( segid "   A" and resid 271  and name HN  ))
      6.000     4.500     0.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.95474E-03 ppm1      1.797 ppm2      7.844 CV     1
 ASSI {  533}
   (  segid "   A" and resid 107  and name HB% )
   (( segid "   A" and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.44249E-02 ppm1      1.492 ppm2      7.841 CV     1
 ASSI {  534}
   (( segid "   A" and resid 200  and name HA  ))
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.17864E-02 ppm1      4.152 ppm2      7.822 CV     1
 ASSI {  535}
   (( segid "   A" and resid 203  and name HA  ))
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.39207E-02 ppm1      4.080 ppm2      7.810 CV     1
 ASSI {  536}
   (( segid "   A" and resid 107  and name HA  ))
   (( segid "   A" and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.23443E-02 ppm1      3.947 ppm2      7.824 CV     1
 ASSI {  537}
   (( segid "   A" and resid 203  and name HG1 ))
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.27717E-02 ppm1      2.334 ppm2      7.813 CV     1
 ASSI {  538}
   (( segid "   A" and resid 203  and name HG2 ))
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.27680E-02 ppm1      2.316 ppm2      7.815 CV     1
 ASSI {  539}
   (( segid "   A" and resid 203  and name HB1 ))
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.73364E-02 ppm1      2.197 ppm2      7.810 CV     1
 OR {  539}
   (( segid "   A" and resid 203  and name HB2 ))
   (( segid "   A" and resid 203  and name HN  ))
 ASSI {  540}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.46229E-02 ppm1      1.581 ppm2      7.817 CV     1
 ASSI {  541}
   (( segid "   A" and resid 123  and name HB2 ))
   (( segid "   A" and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      1.933 ppm2      7.789 CV     1
 ASSI {  542}
   (( segid "   A" and resid 123  and name HB1 ))
   (( segid "   A" and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.82707E-03 ppm1      1.380 ppm2      7.786 CV     1
 ASSI {  543}
   (( segid "   A" and resid 123  and name HG  ))
   (( segid "   A" and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.11518E-02 ppm1      1.840 ppm2      7.793 CV     1
 ASSI {  544}
   (  segid "   A" and resid 123  and name HD2%)
   (( segid "   A" and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.14599E-02 ppm1      0.967 ppm2      7.780 CV     1
 ASSI {  546}
   (( segid "   A" and resid 268  and name HB1 ))
   (( segid "   A" and resid 268  and name HN  ))
      6.000     4.500     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.32426E-02 ppm1      3.981 ppm2      7.760 CV     1
 ASSI {  547}
   (( segid "   A" and resid 268  and name HB2 ))
   (( segid "   A" and resid 268  and name HN  ))
      6.000     4.500     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      3.951 ppm2      7.755 CV     1
 ASSI {  548}
   (( segid "   A" and resid 268  and name HA  ))
   (( segid "   A" and resid 268  and name HN  ))
      6.000     4.500     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.26829E-02 ppm1      4.235 ppm2      7.763 CV     1
 ASSI {  549}
   (( segid "   A" and resid 131  and name HA  ))
   (( segid "   A" and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.24220E-02 ppm1      4.221 ppm2      7.759 CV     1
 ASSI {  550}
   (( segid "   A" and resid 284  and name HE2 ))
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.13970E-02 ppm1      3.011 ppm2      7.758 CV     1
 OR {  550}
   (( segid "   A" and resid 284  and name HE1 ))
   (( segid "   A" and resid 285  and name HN  ))
 ASSI {  551}
   (( segid "   A" and resid 270  and name HG1 ))
   (( segid "   A" and resid 270  and name HN  ))
      6.000     4.500     0.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.86130E-03 ppm1      1.627 ppm2      7.760 CV     1
 ASSI {  552}
   (( segid "   A" and resid 172  and name HB2 ))
   (( segid "   A" and resid 172  and name HE21))
      6.000     4.500     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      1.763 ppm2      7.754 CV     1
 OR {  552}
   (( segid "   A" and resid 284  and name HD2 ))
   (( segid "   A" and resid 285  and name HN  ))
 OR {  552}
   (( segid "   A" and resid 284  and name HD1 ))
   (( segid "   A" and resid 285  and name HN  ))
 ASSI {  553}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.91034E-03 ppm1      1.070 ppm2      7.773 CV     1
 ASSI {  554}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.17467E-02 ppm1      1.030 ppm2      7.757 CV     1
 OR {  554}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 172  and name HE21))
 ASSI {  555}
   (  segid "   A" and resid 178  and name HD1%)
   (( segid "   A" and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.13729E-02 ppm1      0.828 ppm2      7.759 CV     1
 OR {  555}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 270  and name HN  ))
 OR {  555}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 172  and name HE21))
 OR {  555}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 281  and name HN  ))
 OR {  555}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 268  and name HN  ))
 ASSI {  556}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 172  and name HE21))
      6.000     4.500     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.32139E-02 ppm1      0.914 ppm2      7.773 CV     1
 OR {  556}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 281  and name HN  ))
 ASSI {  557}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.77527E-03 ppm1      1.338 ppm2      7.756 CV     1
 ASSI {  558}
   (  segid "   A" and resid 123  and name HD1%)
   (( segid "   A" and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.16208E-02 ppm1      0.948 ppm2      7.775 CV     1
 ASSI {  559}
   (  segid "   A" and resid 214  and name HB% )
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.74289E-03 ppm1      1.290 ppm2      7.760 CV     1
 ASSI {  560}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 270  and name HN  ))
      6.000     4.500     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.75954E-03 ppm1      0.719 ppm2      7.774 CV     1
 OR {  560}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 268  and name HN  ))
 ASSI {  561}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.11999E-02 ppm1      0.420 ppm2      7.760 CV     1
 ASSI {  562}
   (  segid "   A" and resid 131  and name HB% )
   (( segid "   A" and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.83873E-02 ppm1      1.460 ppm2      7.755 CV     1
 ASSI {  563}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.16449E-02 ppm1      0.631 ppm2      7.767 CV     1
 OR {  563}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 270  and name HN  ))
 ASSI {  564}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 270  and name HN  ))
      6.000     4.500     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.12573E-02 ppm1      0.199 ppm2      7.764 CV     1
 ASSI {  566}
   (( segid "   A" and resid 267  and name HA  ))
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.20649E-02 ppm1      3.490 ppm2      7.731 CV     1
 ASSI {  567}
   (( segid "   A" and resid 140  and name HB1 ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.10417E-02 ppm1      3.781 ppm2      7.735 CV     1
 ASSI {  568}
   (( segid "   A" and resid 140  and name HB2 ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.98342E-03 ppm1      3.709 ppm2      7.736 CV     1
 ASSI {  569}
   (( segid "   A" and resid 149  and name HA  ))
   (( segid "   A" and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      4.107 ppm2      7.730 CV     1
 ASSI {  570}
   (( segid "   A" and resid 138  and name HA  ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.94919E-03 ppm1      3.774 ppm2      7.734 CV     1
 ASSI {  571}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 136  and name HN  ))
      6.000     4.500     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.15996E-02 ppm1      3.891 ppm2      7.733 CV     1
 ASSI {  572}
   (( segid "   A" and resid 211  and name HA  ))
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.14617E-02 ppm1      5.096 ppm2      7.728 CV     1
 ASSI {  573}
   (( segid "   A" and resid 264  and name HA  ))
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.12221E-02 ppm1      3.953 ppm2      7.735 CV     1
 OR {  573}
   (( segid "   A" and resid 264  and name HA  ))
   (( segid "   A" and resid 268  and name HN  ))
 ASSI {  574}
   (( segid "   A" and resid 284  and name HA  ))
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.12591E-02 ppm1      4.433 ppm2      7.735 CV     1
 ASSI {  575}
   (( segid "   A" and resid 165  and name HA  ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.79099E-03 ppm1      3.650 ppm2      7.737 CV     1
 OR {  575}
   (( segid "   A" and resid 166  and name HA  ))
   (( segid "   A" and resid 169  and name HN  ))
 ASSI {  576}
   (( segid "   A" and resid 139  and name HB2 ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.11176E-02 ppm1      1.546 ppm2      7.731 CV     1
 ASSI {  577}
   (( segid "   A" and resid 139  and name HB1 ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.12462E-02 ppm1      1.428 ppm2      7.727 CV     1
 ASSI {  579}
   (( segid "   A" and resid 284  and name HB2 ))
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.15061E-02 ppm1      1.995 ppm2      7.736 CV     1
 ASSI {  580}
   (( segid "   A" and resid 284  and name HB1 ))
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.84465E-03 ppm1      1.848 ppm2      7.728 CV     1
 ASSI {  581}
   (( segid "   A" and resid 148  and name HB  ))
   (( segid "   A" and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.13072E-02 ppm1      2.255 ppm2      7.740 CV     1
 ASSI {  582}
   (( segid "   A" and resid 267  and name HB  ))
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.76620E-02 ppm1      2.080 ppm2      7.735 CV     1
 ASSI {  583}
   (( segid "   A" and resid 284  and name HG1 ))
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.82060E-03 ppm1      1.552 ppm2      7.733 CV     1
 OR {  583}
   (( segid "   A" and resid 284  and name HG2 ))
   (( segid "   A" and resid 285  and name HN  ))
 ASSI {  584}
   (( segid "   A" and resid 139  and name HG2 ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.91681E-03 ppm1      1.397 ppm2      7.726 CV     1
 ASSI {  585}
   (  segid "   A" and resid 267  and name HG2%)
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.83984E-02 ppm1      1.007 ppm2      7.732 CV     1
 ASSI {  586}
   (  segid "   A" and resid 149  and name HG2%)
   (( segid "   A" and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.16652E-02 ppm1      1.117 ppm2      7.734 CV     1
 ASSI {  587}
   (  segid "   A" and resid 267  and name HG1%)
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.50984E-02 ppm1      0.977 ppm2      7.739 CV     1
 ASSI {  588}
   (  segid "   A" and resid 148  and name HG2%)
   (( segid "   A" and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.10399E-02 ppm1      0.892 ppm2      7.736 CV     1
 ASSI {  589}
   (  segid "   A" and resid 285  and name HB% )
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.44092E-02 ppm1      1.533 ppm2      7.730 CV     1
 ASSI {  590}
   (  segid "   A" and resid 266  and name HB% )
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.50688E-02 ppm1      1.265 ppm2      7.725 CV     1
 ASSI {  591}
   (  segid "   A" and resid 211  and name HG2%)
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.22777E-02 ppm1      0.974 ppm2      7.728 CV     1
 ASSI {  592}
   (  segid "   A" and resid 138  and name HG2%)
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.40364E-02 ppm1      0.550 ppm2      7.734 CV     1
 ASSI {  593}
   (  segid "   A" and resid 211  and name HD1%)
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.18105E-02 ppm1      0.750 ppm2      7.727 CV     1
 ASSI {  594}
   (( segid "   A" and resid 229  and name HA  ))
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.94919E-03 ppm1      4.201 ppm2      7.694 CV     1
 ASSI {  596}
   (( segid "   A" and resid 207  and name HA  ))
   (( segid "   A" and resid 208  and name HN  ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.17291E-02 ppm1      4.130 ppm2      7.713 CV     1
 ASSI {  597}
   (( segid "   A" and resid 264  and name HB1 ))
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.10426E-02 ppm1      2.087 ppm2      7.718 CV     1
 OR {  597}
   (( segid "   A" and resid 264  and name HB2 ))
   (( segid "   A" and resid 267  and name HN  ))
 OR {  597}
   (( segid "   A" and resid 230  and name HB2 ))
   (  segid "   A" and resid 229  and name HD% )
 ASSI {  598}
   (  segid "   A" and resid 207  and name HB% )
   (( segid "   A" and resid 208  and name HN  ))
      6.000     4.500     0.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.32102E-02 ppm1      1.167 ppm2      7.712 CV     1
 ASSI {  599}
   (( segid "   A" and resid 197  and name HA  ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      3.903 ppm2      7.667 CV     1
 ASSI {  600}
   (( segid "   A" and resid 200  and name HA  ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.24146E-02 ppm1      4.149 ppm2      7.660 CV     1
 ASSI {  601}
   (( segid "   A" and resid 200  and name HG1 ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.25229E-02 ppm1      2.568 ppm2      7.666 CV     1
 ASSI {  602}
   (( segid "   A" and resid 200  and name HG2 ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.28827E-02 ppm1      2.368 ppm2      7.667 CV     1
 ASSI {  603}
   (( segid "   A" and resid 200  and name HB1 ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.30280E-02 ppm1      2.278 ppm2      7.666 CV     1
 ASSI {  604}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 127  and name HN  ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.83170E-03 ppm1      1.336 ppm2      7.669 CV     1
 ASSI {  605}
   (  segid "   A" and resid 202  and name HB% )
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.10704E-02 ppm1      1.581 ppm2      7.678 CV     1
 ASSI {  606}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 224  and name HN  ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.19261E-02 ppm1      0.630 ppm2      7.662 CV     1
 OR {  606}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 213  and name HN  ))
 ASSI {  607}
   (( segid "   A" and resid 245  and name HB  ))
   (( segid "   A" and resid 246  and name HN  ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.93346E-03 ppm1      4.294 ppm2      7.645 CV     1
 ASSI {  608}
   (( segid "   A" and resid 127  and name HA  ))
   (( segid "   A" and resid 127  and name HN  ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.11870E-02 ppm1      4.015 ppm2      7.632 CV     1
 ASSI {  609}
   (( segid "   A" and resid 224  and name HA  ))
   (( segid "   A" and resid 224  and name HN  ))
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.84743E-03 ppm1      4.379 ppm2      7.639 CV     1
 ASSI {  610}
   (( segid "   A" and resid 224  and name HB2 ))
   (( segid "   A" and resid 224  and name HN  ))
      6.000     4.500     0.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      2.527 ppm2      7.648 CV     1
 ASSI {  611}
   (( segid "   A" and resid 223  and name HB1 ))
   (( segid "   A" and resid 224  and name HN  ))
      6.000     4.500     0.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.10306E-02 ppm1      2.627 ppm2      7.647 CV     1
 ASSI {  612}
   (( segid "   A" and resid 199  and name HB2 ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.16680E-02 ppm1      2.706 ppm2      7.655 CV     1
 ASSI {  613}
   (( segid "   A" and resid 213  and name HB  ))
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.21806E-02 ppm1      1.235 ppm2      7.650 CV     1
 ASSI {  614}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.10695E-02 ppm1      1.034 ppm2      7.643 CV     1
 OR {  614}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 171  and name HN  ))
 ASSI {  616}
   (  segid "   A" and resid 245  and name HG2%)
   (( segid "   A" and resid 246  and name HN  ))
      6.000     4.500     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.90109E-03 ppm1      1.255 ppm2      7.656 CV     1
 ASSI {  618}
   (  segid "   A" and resid 246  and name HG2%)
   (( segid "   A" and resid 246  and name HN  ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.24932E-02 ppm1      1.204 ppm2      7.648 CV     1
 ASSI {  619}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.27088E-02 ppm1      0.421 ppm2      7.647 CV     1
 ASSI {  620}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.26977E-02 ppm1      0.357 ppm2      7.648 CV     1
 ASSI {  621}
   (  segid "   A" and resid 255  and name HD1%)
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.12184E-02 ppm1     -0.114 ppm2      7.653 CV     1
 ASSI {  622}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 127  and name HN  ))
      6.000     4.500     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.77249E-03 ppm1      4.175 ppm2      7.626 CV     1
 ASSI {  623}
   (( segid "   A" and resid 191  and name HA  ))
   (( segid "   A" and resid 191  and name HN  ))
      6.000     4.500     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      4.044 ppm2      7.616 CV     1
 ASSI {  624}
   (( segid "   A" and resid 273  and name HA  ))
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      4.313 ppm2      7.607 CV     1
 ASSI {  625}
   (( segid "   A" and resid 170  and name HA  ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.73734E-03 ppm1      3.757 ppm2      7.616 CV     1
 ASSI {  626}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 233  and name HN  ))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.92976E-03 ppm1      5.068 ppm2      7.624 CV     1
 ASSI {  627}
   (( segid "   A" and resid 109  and name HA  ))
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.96029E-03 ppm1      4.135 ppm2      7.609 CV     1
 ASSI {  628}
   (( segid "   A" and resid 233  and name HA2 ))
   (( segid "   A" and resid 233  and name HN  ))
      6.000     4.500     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.13109E-02 ppm1      3.913 ppm2      7.625 CV     1
 ASSI {  629}
   (( segid "   A" and resid 273  and name HB1 ))
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.11324E-02 ppm1      3.335 ppm2      7.605 CV     1
 ASSI {  630}
   (( segid "   A" and resid 273  and name HB2 ))
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.16921E-02 ppm1      3.009 ppm2      7.612 CV     1
 ASSI {  631}
   (( segid "   A" and resid 272  and name HB2 ))
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.74844E-03 ppm1      2.052 ppm2      7.607 CV     1
 ASSI {  632}
   (( segid "   A" and resid 110  and name HB  ))
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.38097E-02 ppm1      1.896 ppm2      7.605 CV     1
 ASSI {  633}
   (( segid "   A" and resid 110  and name HG11))
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.22148E-02 ppm1      1.720 ppm2      7.605 CV     1
 ASSI {  634}
   (( segid "   A" and resid 110  and name HG12))
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1      1.058 ppm2      7.603 CV     1
 ASSI {  635}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.16051E-02 ppm1      1.063 ppm2      7.617 CV     1
 ASSI {  636}
   (  segid "   A" and resid 185  and name HG1%)
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.17735E-02 ppm1      0.999 ppm2      7.628 CV     1
 OR {  636}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 273  and name HN  ))
 OR {  636}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 273  and name HN  ))
 OR {  636}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 213  and name HN  ))
 ASSI {  637}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.97972E-03 ppm1      0.718 ppm2      7.616 CV     1
 ASSI {  638}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.38153E-02 ppm1      1.458 ppm2      7.602 CV     1
 ASSI {  639}
   (  segid "   A" and resid 191  and name HG2%)
   (( segid "   A" and resid 191  and name HN  ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.23369E-02 ppm1      0.918 ppm2      7.610 CV     1
 ASSI {  640}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.89553E-03 ppm1      0.200 ppm2      7.610 CV     1
 ASSI {  641}
   (  segid "   A" and resid 235  and name HD1%)
   (( segid "   A" and resid 233  and name HN  ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.86038E-03 ppm1      0.690 ppm2      7.625 CV     1
 ASSI {  642}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.20307E-02 ppm1      0.746 ppm2      7.607 CV     1
 ASSI {  643}
   (( segid "   A" and resid 110  and name HA  ))
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.18207E-02 ppm1      3.691 ppm2      7.598 CV     1
 ASSI {  644}
   (( segid "   A" and resid 272  and name HA  ))
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.10019E-02 ppm1      3.907 ppm2      7.596 CV     1
 ASSI {  645}
   (( segid "   A" and resid 107  and name HA  ))
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      3.947 ppm2      7.592 CV     1
 ASSI {  646}
   (  segid "   A" and resid 110  and name HG2%)
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.25895E-02 ppm1      0.854 ppm2      7.595 CV     1
 ASSI {  647}
   (  segid "   A" and resid 191  and name HD1%)
   (( segid "   A" and resid 191  and name HN  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.10177E-02 ppm1      0.858 ppm2      7.599 CV     1
 ASSI {  648}
   (( segid "   A" and resid 206  and name HA  ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.34683E-02 ppm1      4.214 ppm2      7.491 CV     1
 ASSI {  649}
   (( segid "   A" and resid 203  and name HA  ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.22176E-02 ppm1      4.080 ppm2      7.494 CV     1
 ASSI {  650}
   (( segid "   A" and resid 206  and name HD1 ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.16551E-02 ppm1      3.289 ppm2      7.494 CV     1
 OR {  650}
   (( segid "   A" and resid 206  and name HD2 ))
   (( segid "   A" and resid 206  and name HN  ))
 ASSI {  651}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.59829E-02 ppm1      2.008 ppm2      7.489 CV     1
 ASSI {  652}
   (( segid "   A" and resid 206  and name HG1 ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.30354E-02 ppm1      2.019 ppm2      7.487 CV     1
 ASSI {  653}
   (( segid "   A" and resid 232  and name HA  ))
   (( segid "   A" and resid 231  and name HN  ))
      6.000     4.500     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.10195E-02 ppm1      4.268 ppm2      7.465 CV     1
 ASSI {  654}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 231  and name HN  ))
      6.000     4.500     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.75214E-03 ppm1      5.071 ppm2      7.474 CV     1
 ASSI {  655}
   (( segid "   A" and resid 205  and name HA  ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.44148E-02 ppm1      3.889 ppm2      7.476 CV     1
 ASSI {  657}
   (( segid "   A" and resid 236  and name HB1 ))
   (( segid "   A" and resid 237  and name HN  ))
      6.000     4.500     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.17707E-02 ppm1      1.708 ppm2      7.458 CV     1
 ASSI {  658}
   (( segid "   A" and resid 236  and name HB2 ))
   (( segid "   A" and resid 237  and name HN  ))
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.15172E-02 ppm1      1.503 ppm2      7.460 CV     1
 ASSI {  659}
   (( segid "   A" and resid 125  and name HB2 ))
   (( segid "   A" and resid 145  and name HZ2 ))
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.96492E-03 ppm1      2.158 ppm2      7.457 CV     1
 OR {  659}
   (( segid "   A" and resid 125  and name HB2 ))
   (( segid "   A" and resid 128  and name HN  ))
 OR {  659}
   (( segid "   A" and resid 171  and name HB1 ))
   (( segid "   A" and resid 168  and name HN  ))
 ASSI {  660}
   (( segid "   A" and resid 206  and name HG2 ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.23850E-02 ppm1      1.764 ppm2      7.480 CV     1
 ASSI {  661}
   (( segid "   A" and resid 236  and name HG2 ))
   (( segid "   A" and resid 237  and name HN  ))
      6.000     4.500     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.11870E-02 ppm1      1.351 ppm2      7.462 CV     1
 OR {  661}
   (( segid "   A" and resid 236  and name HG1 ))
   (( segid "   A" and resid 237  and name HN  ))
 ASSI {  662}
   (  segid "   A" and resid 205  and name HB% )
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.63844E-02 ppm1      1.164 ppm2      7.483 CV     1
 ASSI {  663}
   (  segid "   A" and resid 231  and name HB% )
   (( segid "   A" and resid 231  and name HN  ))
      6.000     4.500     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.40725E-02 ppm1      0.943 ppm2      7.474 CV     1
 ASSI {  664}
   (  segid "   A" and resid 235  and name HG2%)
   (( segid "   A" and resid 237  and name HN  ))
      6.000     4.500     0.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.36210E-02 ppm1      0.587 ppm2      7.462 CV     1
 ASSI {  665}
   (( segid "   A" and resid 127  and name HB  ))
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.13183E-02 ppm1      4.187 ppm2      7.444 CV     1
 ASSI {  666}
   (( segid "   A" and resid 110  and name HA  ))
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.13692E-02 ppm1      3.714 ppm2      7.444 CV     1
 ASSI {  667}
   (( segid "   A" and resid 128  and name HA  ))
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.98897E-03 ppm1      3.749 ppm2      7.437 CV     1
 ASSI {  668}
   (( segid "   A" and resid 112  and name HA  ))
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.17263E-02 ppm1      4.184 ppm2      7.436 CV     1
 ASSI {  669}
   (( segid "   A" and resid 125  and name HA  ))
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.82615E-03 ppm1      3.730 ppm2      7.447 CV     1
 ASSI {  670}
   (( segid "   A" and resid 167  and name HA  ))
   (( segid "   A" and resid 167  and name HN  ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.15885E-02 ppm1      3.726 ppm2      7.429 CV     1
 ASSI {  671}
   (( segid "   A" and resid 108  and name HB1 ))
   (( segid "   A" and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.10713E-02 ppm1      1.826 ppm2      7.433 CV     1
 ASSI {  672}
   (( segid "   A" and resid 108  and name HB2 ))
   (( segid "   A" and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.10676E-02 ppm1      1.488 ppm2      7.429 CV     1
 ASSI {  673}
   (( segid "   A" and resid 256  and name HG1 ))
   (( segid "   A" and resid 237  and name HN  ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.10325E-02 ppm1      2.249 ppm2      7.439 CV     1
 OR {  673}
   (( segid "   A" and resid 125  and name HG2 ))
   (( segid "   A" and resid 145  and name HZ2 ))
 OR {  673}
   (( segid "   A" and resid 125  and name HG1 ))
   (( segid "   A" and resid 128  and name HN  ))
 OR {  673}
   (( segid "   A" and resid 125  and name HG2 ))
   (( segid "   A" and resid 128  and name HN  ))
 OR {  673}
   (( segid "   A" and resid 125  and name HG1 ))
   (( segid "   A" and resid 145  and name HZ2 ))
 ASSI {  674}
   (( segid "   A" and resid 128  and name HB  ))
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.19835E-02 ppm1      2.019 ppm2      7.438 CV     1
 ASSI {  675}
   (( segid "   A" and resid 113  and name HB2 ))
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.19548E-02 ppm1      1.755 ppm2      7.428 CV     1
 ASSI {  676}
   (( segid "   A" and resid 256  and name HB1 ))
   (( segid "   A" and resid 237  and name HN  ))
      6.000     4.500     0.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.11777E-02 ppm1      2.191 ppm2      7.440 CV     1
 ASSI {  678}
   (( segid "   A" and resid 218  and name HB2 ))
   (( segid "   A" and resid 218  and name HE21))
      6.000     4.500     0.000 peak   678 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      1.793 ppm2      7.427 CV     1
 OR {  678}
   (( segid "   A" and resid 218  and name HB2 ))
   (( segid "   A" and resid 249  and name HE1 ))
 ASSI {  679}
   (( segid "   A" and resid 113  and name HG2 ))
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.17966E-02 ppm1      1.750 ppm2      7.433 CV     1
 ASSI {  680}
   (( segid "   A" and resid 128  and name HG11))
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1      1.215 ppm2      7.440 CV     1
 ASSI {  681}
   (  segid "   A" and resid 108  and name HD2%)
   (( segid "   A" and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.92884E-03 ppm1      0.883 ppm2      7.427 CV     1
 ASSI {  682}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.15829E-02 ppm1      0.918 ppm2      7.454 CV     1
 ASSI {  683}
   (  segid "   A" and resid 127  and name HG2%)
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.13840E-02 ppm1      1.337 ppm2      7.445 CV     1
 ASSI {  684}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.95567E-03 ppm1      0.940 ppm2      7.442 CV     1
 OR {  684}
   (  segid "   A" and resid 114  and name HG2%)
   (( segid "   A" and resid 167  and name HN  ))
 ASSI {  685}
   (  segid "   A" and resid 109  and name HB% )
   (( segid "   A" and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.96492E-02 ppm1      1.460 ppm2      7.427 CV     1
 ASSI {  686}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 167  and name HN  ))
      6.000     4.500     0.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      1.361 ppm2      7.434 CV     1
 ASSI {  687}
   (  segid "   A" and resid 119  and name HG2%)
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.73271E-03 ppm1      0.704 ppm2      7.426 CV     1
 ASSI {  688}
   (  segid "   A" and resid 128  and name HG2%)
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.19835E-02 ppm1      0.552 ppm2      7.441 CV     1
 ASSI {  689}
   (  segid "   A" and resid 128  and name HD1%)
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.13054E-02 ppm1      0.500 ppm2      7.443 CV     1
 ASSI {  690}
   (( segid "   A" and resid 176  and name HA  ))
   (( segid "   A" and resid 176  and name HN  ))
      6.000     4.500     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.15191E-02 ppm1      4.064 ppm2      7.398 CV     1
 ASSI {  691}
   (( segid "   A" and resid 264  and name HA  ))
   (( segid "   A" and resid 264  and name HN  ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.28420E-02 ppm1      3.953 ppm2      7.405 CV     1
 ASSI {  692}
   (( segid "   A" and resid 109  and name HA  ))
   (( segid "   A" and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.21963E-02 ppm1      4.128 ppm2      7.422 CV     1
 ASSI {  693}
   (( segid "   A" and resid 264  and name HG1 ))
   (( segid "   A" and resid 264  and name HN  ))
      6.000     4.500     0.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.46451E-02 ppm1      2.387 ppm2      7.405 CV     1
 OR {  693}
   (( segid "   A" and resid 264  and name HG2 ))
   (( segid "   A" and resid 264  and name HN  ))
 ASSI {  694}
   (( segid "   A" and resid 113  and name HB1 ))
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.21232E-02 ppm1      1.810 ppm2      7.420 CV     1
 ASSI {  695}
   (( segid "   A" and resid 218  and name HG1 ))
   (( segid "   A" and resid 218  and name HE21))
      6.000     4.500     0.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      2.231 ppm2      7.408 CV     1
 ASSI {  696}
   (( segid "   A" and resid 167  and name HG2 ))
   (( segid "   A" and resid 167  and name HN  ))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.10177E-02 ppm1      2.345 ppm2      7.419 CV     1
 ASSI {  697}
   (( segid "   A" and resid 130  and name HB2 ))
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.14358E-02 ppm1      2.199 ppm2      7.422 CV     1
 OR {  697}
   (( segid "   A" and resid 130  and name HB1 ))
   (( segid "   A" and resid 128  and name HN  ))
 ASSI {  698}
   (( segid "   A" and resid 113  and name HG1 ))
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.74844E-03 ppm1      1.413 ppm2      7.417 CV     1
 ASSI {  699}
   (( segid "   A" and resid 264  and name HB2 ))
   (( segid "   A" and resid 264  and name HN  ))
      6.000     4.500     0.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.39466E-02 ppm1      2.106 ppm2      7.412 CV     1
 OR {  699}
   (( segid "   A" and resid 264  and name HB1 ))
   (( segid "   A" and resid 264  and name HN  ))
 ASSI {  700}
   (  segid "   A" and resid 178  and name HD1%)
   (( segid "   A" and resid 181  and name HN  ))
      6.000     4.500     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.10010E-02 ppm1      0.843 ppm2      7.414 CV     1
 OR {  700}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 167  and name HN  ))
 OR {  700}
   (  segid "   A" and resid 178  and name HD1%)
   (( segid "   A" and resid 176  and name HN  ))
 OR {  700}
   (  segid "   A" and resid 170  and name HD1%)
   (( segid "   A" and resid 176  and name HN  ))
 ASSI {  701}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 167  and name HN  ))
      6.000     4.500     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.78082E-03 ppm1      0.796 ppm2      7.418 CV     1
 ASSI {  703}
   (  segid "   A" and resid 177  and name HE% )
   (( segid "   A" and resid 181  and name HN  ))
      6.000     4.500     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.12314E-02 ppm1      1.942 ppm2      7.422 CV     1
 ASSI {  704}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.88813E-03 ppm1      0.748 ppm2      7.416 CV     1
 OR {  704}
   (  segid "   A" and resid 110  and name HD1%)
   (( segid "   A" and resid 113  and name HN  ))
 OR {  704}
   (  segid "   A" and resid 198  and name HD1%)
   (( segid "   A" and resid 167  and name HN  ))
 ASSI {  705}
   (( segid "   A" and resid 269  and name HB1 ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.12240E-02 ppm1      3.720 ppm2      7.389 CV     1
 ASSI {  706}
   (( segid "   A" and resid 269  and name HB2 ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.99545E-03 ppm1      3.546 ppm2      7.376 CV     1
 ASSI {  707}
   (( segid "   A" and resid 268  and name HB1 ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.10241E-02 ppm1      3.970 ppm2      7.384 CV     1
 ASSI {  708}
   (( segid "   A" and resid 268  and name HB2 ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.75676E-03 ppm1      3.949 ppm2      7.391 CV     1
 ASSI {  709}
   (( segid "   A" and resid 177  and name HB1 ))
   (( segid "   A" and resid 181  and name HN  ))
      6.000     4.500     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.10806E-02 ppm1      1.923 ppm2      7.396 CV     1
 ASSI {  711}
   (( segid "   A" and resid 176  and name HB  ))
   (( segid "   A" and resid 176  and name HN  ))
      6.000     4.500     0.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.30280E-02 ppm1      2.090 ppm2      7.383 CV     1
 ASSI {  712}
   (( segid "   A" and resid 281  and name HG1 ))
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.16921E-02 ppm1      1.549 ppm2      7.380 CV     1
 ASSI {  713}
   (  segid "   A" and resid 176  and name HG1%)
   (( segid "   A" and resid 176  and name HN  ))
      6.000     4.500     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.40623E-02 ppm1      1.038 ppm2      7.392 CV     1
 ASSI {  714}
   (  segid "   A" and resid 176  and name HG2%)
   (( segid "   A" and resid 176  and name HN  ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.30243E-02 ppm1      0.908 ppm2      7.396 CV     1
 ASSI {  715}
   (( segid "   A" and resid 254  and name HA  ))
   (  segid "   A" and resid 254  and name HE% )
      6.000     4.500     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.73086E-03 ppm1      5.756 ppm2      7.345 CV     1
 ASSI {  716}
   (( segid "   A" and resid 254  and name HB2 ))
   (  segid "   A" and resid 254  and name HE% )
      6.000     4.500     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13711E-02 ppm1      2.766 ppm2      7.354 CV     1
 ASSI {  717}
   (( segid "   A" and resid 225  and name HB  ))
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.15561E-02 ppm1      1.850 ppm2      7.356 CV     1
 ASSI {  718}
   (  segid "   A" and resid 225  and name HG2%)
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.13396E-02 ppm1      0.632 ppm2      7.340 CV     1
 ASSI {  719}
   (( segid "   A" and resid 206  and name HA  ))
   (( segid "   A" and resid 207  and name HN  ))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.73549E-03 ppm1      4.209 ppm2      7.332 CV     1
 ASSI {  720}
   (( segid "   A" and resid 204  and name HA  ))
   (( segid "   A" and resid 207  and name HN  ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.74659E-03 ppm1      4.072 ppm2      7.319 CV     1
 ASSI {  721}
   (( segid "   A" and resid 205  and name HA  ))
   (( segid "   A" and resid 207  and name HN  ))
      6.000     4.500     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.18447E-02 ppm1      3.886 ppm2      7.327 CV     1
 ASSI {  722}
   (( segid "   A" and resid 207  and name HA  ))
   (( segid "   A" and resid 207  and name HN  ))
      6.000     4.500     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.39365E-02 ppm1      4.137 ppm2      7.316 CV     1
 ASSI {  723}
   (( segid "   A" and resid 206  and name HB2 ))
   (( segid "   A" and resid 207  and name HN  ))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      2.008 ppm2      7.315 CV     1
 OR {  723}
   (( segid "   A" and resid 206  and name HB1 ))
   (( segid "   A" and resid 207  and name HN  ))
 ASSI {  724}
   (  segid "   A" and resid 207  and name HB% )
   (( segid "   A" and resid 207  and name HN  ))
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.13859E-01 ppm1      1.167 ppm2      7.313 CV     1
 ASSI {  725}
   (  segid "   A" and resid 225  and name HD1%)
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.76787E-03 ppm1      0.651 ppm2      7.334 CV     1
 ASSI {  726}
   (( segid "   A" and resid 228  and name HA  ))
   (( segid "   A" and resid 228  and name HN  ))
      6.000     4.500     0.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.92699E-03 ppm1      3.593 ppm2      7.284 CV     1
 ASSI {  727}
   (( segid "   A" and resid 228  and name HB  ))
   (( segid "   A" and resid 228  and name HN  ))
      6.000     4.500     0.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.21889E-02 ppm1      2.097 ppm2      7.292 CV     1
 ASSI {  729}
   (  segid "   A" and resid 228  and name HG1%)
   (( segid "   A" and resid 228  and name HN  ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.53214E-02 ppm1      1.001 ppm2      7.286 CV     1
 ASSI {  731}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 228  and name HN  ))
      6.000     4.500     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.17337E-02 ppm1      0.491 ppm2      7.284 CV     1
 ASSI {  732}
   (  segid "   A" and resid 169  and name HB% )
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.10204E-02 ppm1      1.359 ppm2      7.286 CV     1
 ASSI {  733}
   (( segid "   A" and resid 227  and name HB2 ))
   (( segid "   A" and resid 228  and name HN  ))
      6.000     4.500     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13618E-02 ppm1      4.037 ppm2      7.275 CV     1
 ASSI {  734}
   (( segid "   A" and resid 112  and name HA  ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.17448E-02 ppm1      4.183 ppm2      7.257 CV     1
 ASSI {  735}
   (( segid "   A" and resid 224  and name HB1 ))
   (( segid "   A" and resid 228  and name HN  ))
      6.000     4.500     0.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.16421E-02 ppm1      3.009 ppm2      7.274 CV     1
 OR {  735}
   (( segid "   A" and resid 273  and name HB2 ))
   (( segid "   A" and resid 228  and name HN  ))
 OR {  735}
   (( segid "   A" and resid 252  and name HB2 ))
   (  segid "   A" and resid 254  and name HD% )
 ASSI {  736}
   (( segid "   A" and resid 113  and name HG2 ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.12906E-02 ppm1      1.744 ppm2      7.263 CV     1
 OR {  736}
   (( segid "   A" and resid 110  and name HG11))
   (( segid "   A" and resid 112  and name HN  ))
 OR {  736}
   (( segid "   A" and resid 210  and name HG2 ))
   (  segid "   A" and resid 254  and name HD% )
 ASSI {  737}
   (  segid "   A" and resid 287  and name HG2%)
   (( segid "   A" and resid 287  and name HN  ))
      6.000     4.500     0.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.26006E-02 ppm1      1.084 ppm2      7.258 CV     1
 ASSI {  738}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      1.465 ppm2      7.260 CV     1
 ASSI {  740}
   (( segid "   A" and resid 109  and name HA  ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.10038E-02 ppm1      4.126 ppm2      7.245 CV     1
 ASSI {  741}
   (( segid "   A" and resid 173  and name HA  ))
   (( segid "   A" and resid 174  and name HN  ))
      6.000     4.500     0.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.74751E-03 ppm1      5.056 ppm2      7.228 CV     1
 ASSI {  742}
   (( segid "   A" and resid 113  and name HB1 ))
   (  segid "   A" and resid 157  and name HD% )
      6.000     4.500     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.93532E-03 ppm1      1.815 ppm2      7.236 CV     1
 OR {  742}
   (( segid "   A" and resid 113  and name HB1 ))
   (( segid "   A" and resid 112  and name HN  ))
 ASSI {  743}
   (( segid "   A" and resid 113  and name HB2 ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.79747E-03 ppm1      1.751 ppm2      7.228 CV     1
 OR {  743}
   (( segid "   A" and resid 113  and name HB2 ))
   (  segid "   A" and resid 157  and name HD% )
 ASSI {  745}
   (( segid "   A" and resid 112  and name HB1 ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.93532E-03 ppm1      3.582 ppm2      7.241 CV     1
 ASSI {  746}
   (( segid "   A" and resid 112  and name HB2 ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12665E-02 ppm1      3.074 ppm2      7.235 CV     1
 ASSI {  749}
   (  segid "   A" and resid 286  and name HG1%)
   (( segid "   A" and resid 287  and name HN  ))
      6.000     4.500     0.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.10417E-02 ppm1      0.802 ppm2      7.243 CV     1
 ASSI {  750}
   (  segid "   A" and resid 286  and name HG2%)
   (( segid "   A" and resid 287  and name HN  ))
      6.000     4.500     0.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.22999E-02 ppm1      0.565 ppm2      7.243 CV     1
 ASSI {  752}
   (( segid "   A" and resid 174  and name HB2 ))
   (( segid "   A" and resid 174  and name HN  ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.15487E-02 ppm1      2.990 ppm2      7.209 CV     1
 ASSI {  753}
   (( segid "   A" and resid 174  and name HB1 ))
   (( segid "   A" and resid 174  and name HN  ))
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.15135E-02 ppm1      2.893 ppm2      7.208 CV     1
 ASSI {  754}
   (( segid "   A" and resid 185  and name HB  ))
   (( segid "   A" and resid 174  and name HN  ))
      6.000     4.500     0.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.87056E-03 ppm1      1.903 ppm2      7.211 CV     1
 ASSI {  755}
   (( segid "   A" and resid 197  and name HA  ))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.14543E-02 ppm1      3.903 ppm2      7.164 CV     1
 ASSI {  756}
   (( segid "   A" and resid 273  and name HA  ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.10537E-02 ppm1      4.320 ppm2      7.177 CV     1
 ASSI {  757}
   (( segid "   A" and resid 273  and name HB2 ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.84003E-03 ppm1      2.974 ppm2      7.185 CV     1
 ASSI {  758}
   (( segid "   A" and resid 196  and name HB1 ))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.10981E-02 ppm1      1.772 ppm2      7.167 CV     1
 ASSI {  759}
   (  segid "   A" and resid 280  and name HD1%)
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.13877E-02 ppm1      1.065 ppm2      7.181 CV     1
 ASSI {  760}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 174  and name HN  ))
      6.000     4.500     0.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.80765E-03 ppm1      1.361 ppm2      7.181 CV     1
 ASSI {  761}
   (  segid "   A" and resid 197  and name HD1%)
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.16162E-02 ppm1      0.806 ppm2      7.163 CV     1
 ASSI {  762}
   (( segid "   A" and resid 196  and name HD2 ))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10112E-02 ppm1      3.706 ppm2      7.139 CV     1
 ASSI {  763}
   (( segid "   A" and resid 197  and name HB  ))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.26792E-02 ppm1      2.008 ppm2      7.158 CV     1
 ASSI {  764}
   (( segid "   A" and resid 196  and name HG1 ))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.99175E-03 ppm1      2.089 ppm2      7.154 CV     1
 ASSI {  765}
   (( segid "   A" and resid 197  and name HG12))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.20436E-02 ppm1      1.483 ppm2      7.160 CV     1
 ASSI {  766}
   (( segid "   A" and resid 197  and name HG11))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.18420E-02 ppm1      1.332 ppm2      7.160 CV     1
 ASSI {  768}
   (  segid "   A" and resid 197  and name HG2%)
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.19520E-02 ppm1      0.892 ppm2      7.150 CV     1
 ASSI {  770}
   (( segid "   A" and resid 231  and name HA  ))
   (( segid "   A" and resid 232  and name HN  ))
      6.000     4.500     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.78544E-03 ppm1      3.891 ppm2      7.111 CV     1
 ASSI {  771}
   (( segid "   A" and resid 278  and name HA  ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.15718E-02 ppm1      4.365 ppm2      7.123 CV     1
 ASSI {  772}
   (( segid "   A" and resid 277  and name HA1 ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.17078E-02 ppm1      4.086 ppm2      7.122 CV     1
 ASSI {  773}
   (( segid "   A" and resid 277  and name HA2 ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      3.589 ppm2      7.127 CV     1
 ASSI {  774}
   (( segid "   A" and resid 278  and name HG2 ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      2.352 ppm2      7.122 CV     1
 ASSI {  775}
   (( segid "   A" and resid 278  and name HG1 ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.11259E-02 ppm1      2.266 ppm2      7.124 CV     1
 ASSI {  776}
   (( segid "   A" and resid 278  and name HB2 ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      2.147 ppm2      7.121 CV     1
 ASSI {  777}
   (( segid "   A" and resid 278  and name HB1 ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.18521E-02 ppm1      1.964 ppm2      7.122 CV     1
 ASSI {  778}
   (( segid "   A" and resid 230  and name HA  ))
   (( segid "   A" and resid 232  and name HN  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.76416E-03 ppm1      5.071 ppm2      7.103 CV     1
 ASSI {  779}
   (  segid "   A" and resid 240  and name HD1%)
   (( segid "   A" and resid 249  and name HD2 ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.90756E-03 ppm1     -0.067 ppm2      7.089 CV     1
 ASSI {  780}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.14136E-02 ppm1      1.266 ppm2      7.088 CV     1
 ASSI {  781}
   (  segid "   A" and resid 231  and name HB% )
   (( segid "   A" and resid 232  and name HN  ))
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.16310E-02 ppm1      0.941 ppm2      7.100 CV     1
 ASSI {  783}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 217  and name HD2 ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.14025E-02 ppm1      1.066 ppm2      7.059 CV     1
 ASSI {  784}
   (  segid "   A" and resid 275  and name HD2%)
   (( segid "   A" and resid 217  and name HD2 ))
      6.000     4.500     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.10445E-02 ppm1      0.982 ppm2      7.048 CV     1
 ASSI {  785}
   (  segid "   A" and resid 228  and name HG2%)
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.10898E-02 ppm1      0.493 ppm2      7.053 CV     1
 ASSI {  786}
   (  segid "   A" and resid 270  and name HE% )
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.24035E-02 ppm1      0.202 ppm2      7.071 CV     1
 ASSI {  789}
   (( segid "   A" and resid 278  and name HG2 ))
   (( segid "   A" and resid 278  and name HE21))
      6.000     4.500     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.96955E-03 ppm1      2.353 ppm2      6.931 CV     1
 ASSI {  790}
   (( segid "   A" and resid 278  and name HB2 ))
   (( segid "   A" and resid 278  and name HE21))
      6.000     4.500     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.12665E-02 ppm1      2.154 ppm2      6.935 CV     1
 ASSI {  791}
   (( segid "   A" and resid 278  and name HB1 ))
   (( segid "   A" and resid 278  and name HE21))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.13072E-02 ppm1      1.971 ppm2      6.937 CV     1
 ASSI {  792}
   (( segid "   A" and resid 225  and name HG12))
   (  segid "   A" and resid 273  and name HE% )
      6.000     4.500     0.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.76139E-03 ppm1      1.562 ppm2      6.949 CV     1
 ASSI {  795}
   (( segid "   A" and resid 278  and name HG1 ))
   (( segid "   A" and resid 278  and name HE21))
      6.000     4.500     0.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.86038E-03 ppm1      2.261 ppm2      6.919 CV     1
 ASSI {  797}
   (  segid "   A" and resid 158  and name HG1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.12924E-02 ppm1      0.146 ppm2      6.900 CV     1
 ASSI {  798}
   (  segid "   A" and resid 114  and name HG1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.24516E-02 ppm1      0.903 ppm2      6.909 CV     1
 ASSI {  799}
   (  segid "   A" and resid 128  and name HD1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.85205E-03 ppm1      0.496 ppm2      6.907 CV     1
 ASSI {  800}
   (( segid "   A" and resid 263  and name HB1 ))
   (( segid "   A" and resid 263  and name HN  ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.15681E-02 ppm1      3.835 ppm2      6.891 CV     1
 ASSI {  801}
   (( segid "   A" and resid 263  and name HB2 ))
   (( segid "   A" and resid 263  and name HN  ))
      6.000     4.500     0.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.11370E-02 ppm1      3.783 ppm2      6.888 CV     1
 ASSI {  802}
   (( segid "   A" and resid 262  and name HA  ))
   (( segid "   A" and resid 262  and name HN  ))
      6.000     4.500     0.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.10214E-02 ppm1      4.023 ppm2      6.871 CV     1
 ASSI {  803}
   (( segid "   A" and resid 263  and name HA  ))
   (( segid "   A" and resid 263  and name HN  ))
      6.000     4.500     0.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.17050E-02 ppm1      3.691 ppm2      6.880 CV     1
 ASSI {  804}
   (( segid "   A" and resid 160  and name HA  ))
   (( segid "   A" and resid 162  and name HN  ))
      6.000     4.500     0.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.13748E-02 ppm1      5.140 ppm2      6.869 CV     1
 ASSI {  805}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 263  and name HN  ))
      6.000     4.500     0.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.95844E-03 ppm1      3.934 ppm2      6.880 CV     1
 ASSI {  806}
   (( segid "   A" and resid 161  and name HG2 ))
   (( segid "   A" and resid 162  and name HN  ))
      6.000     4.500     0.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.86778E-03 ppm1      2.277 ppm2      6.870 CV     1
 OR {  806}
   (( segid "   A" and resid 161  and name HG1 ))
   (( segid "   A" and resid 162  and name HN  ))
 ASSI {  807}
   (( segid "   A" and resid 172  and name HG2 ))
   (( segid "   A" and resid 172  and name HE22))
      6.000     4.500     0.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.99637E-03 ppm1      2.788 ppm2      6.877 CV     1
 ASSI {  808}
   (( segid "   A" and resid 172  and name HG1 ))
   (( segid "   A" and resid 172  and name HE22))
      6.000     4.500     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.77804E-03 ppm1      2.430 ppm2      6.881 CV     1
 ASSI {  809}
   (( segid "   A" and resid 161  and name HB1 ))
   (( segid "   A" and resid 162  and name HN  ))
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.14395E-02 ppm1      1.993 ppm2      6.886 CV     1
 ASSI {  810}
   (( segid "   A" and resid 122  and name HB2 ))
   (  segid "   A" and resid 120  and name HE% )
      6.000     4.500     0.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.12036E-02 ppm1      2.181 ppm2      6.883 CV     1
 ASSI {  811}
   (  segid "   A" and resid 178  and name HD1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.18308E-02 ppm1      0.828 ppm2      6.885 CV     1
 ASSI {  812}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 172  and name HE22))
      6.000     4.500     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.24146E-02 ppm1      0.917 ppm2      6.874 CV     1
 ASSI {  813}
   (  segid "   A" and resid 282  and name HG1%)
   (( segid "   A" and resid 229  and name HZ  ))
      6.000     4.500     0.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.58497E-02 ppm1      1.000 ppm2      6.874 CV     1
 OR {  813}
   (  segid "   A" and resid 185  and name HG1%)
   (  segid "   A" and resid 132  and name HE% )
 ASSI {  814}
   (  segid "   A" and resid 228  and name HG2%)
   (( segid "   A" and resid 229  and name HZ  ))
      6.000     4.500     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.10556E-02 ppm1      0.492 ppm2      6.881 CV     1
 ASSI {  815}
   (  segid "   A" and resid 213  and name HG2%)
   (( segid "   A" and resid 229  and name HZ  ))
      6.000     4.500     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.17707E-02 ppm1      0.421 ppm2      6.870 CV     1
 ASSI {  816}
   (  segid "   A" and resid 131  and name HB% )
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.27347E-02 ppm1      1.473 ppm2      6.881 CV     1
 ASSI {  817}
   (  segid "   A" and resid 128  and name HG2%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1      0.548 ppm2      6.892 CV     1
 ASSI {  818}
   (  segid "   A" and resid 143  and name HE% )
   (( segid "   A" and resid 152  and name HD2 ))
      6.000     4.500     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.10167E-02 ppm1      1.288 ppm2      6.879 CV     1
 ASSI {  819}
   (  segid "   A" and resid 183  and name HD1%)
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.25562E-02 ppm1      0.882 ppm2      6.893 CV     1
 ASSI {  820}
   (( segid "   A" and resid 161  and name HA  ))
   (( segid "   A" and resid 162  and name HN  ))
      6.000     4.500     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.94272E-03 ppm1      4.232 ppm2      6.857 CV     1
 ASSI {  821}
   (( segid "   A" and resid 259  and name HE1 ))
   (( segid "   A" and resid 262  and name HN  ))
      6.000     4.500     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.80580E-03 ppm1      3.066 ppm2      6.856 CV     1
 OR {  821}
   (( segid "   A" and resid 259  and name HE2 ))
   (( segid "   A" and resid 262  and name HN  ))
 ASSI {  822}
   (( segid "   A" and resid 162  and name HB  ))
   (( segid "   A" and resid 162  and name HN  ))
      6.000     4.500     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.10454E-02 ppm1      2.220 ppm2      6.861 CV     1
 ASSI {  823}
   (( segid "   A" and resid 225  and name HG11))
   (( segid "   A" and resid 229  and name HZ  ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.30243E-02 ppm1      1.068 ppm2      6.865 CV     1
 OR {  823}
   (  segid "   A" and resid 280  and name HD1%)
   (( segid "   A" and resid 229  and name HZ  ))
 ASSI {  824}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 172  and name HE22))
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.16162E-02 ppm1      1.032 ppm2      6.869 CV     1
 ASSI {  825}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 162  and name HN  ))
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.38412E-02 ppm1      1.080 ppm2      6.858 CV     1
 ASSI {  826}
   (  segid "   A" and resid 213  and name HG1%)
   (( segid "   A" and resid 229  and name HZ  ))
      6.000     4.500     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.21093E-02 ppm1      0.358 ppm2      6.863 CV     1
 ASSI {  827}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 162  and name HN  ))
      6.000     4.500     0.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.63770E-02 ppm1      0.795 ppm2      6.860 CV     1
 ASSI {  829}
   (  segid "   A" and resid 270  and name HE% )
   (( segid "   A" and resid 229  and name HZ  ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.20862E-02 ppm1      0.201 ppm2      6.860 CV     1
 ASSI {  830}
   (( segid "   A" and resid 259  and name HB2 ))
   (( segid "   A" and resid 262  and name HN  ))
      6.000     4.500     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.76324E-03 ppm1      1.905 ppm2      6.834 CV     1
 ASSI {  831}
   (( segid "   A" and resid 137  and name HB2 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.97325E-03 ppm1      2.074 ppm2      6.819 CV     1
 OR {  831}
   (( segid "   A" and resid 137  and name HB2 ))
   (  segid "   A" and resid 160  and name HD% )
 OR {  831}
   (( segid "   A" and resid 159  and name HB2 ))
   (  segid "   A" and resid 160  and name HD% )
 ASSI {  832}
   (( segid "   A" and resid 137  and name HG1 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.14488E-02 ppm1      2.299 ppm2      6.828 CV     1
 ASSI {  833}
   (( segid "   A" and resid 252  and name HB2 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.14229E-02 ppm1      3.029 ppm2      6.805 CV     1
 OR {  833}
   (( segid "   A" and resid 250  and name HE1 ))
   (  segid "   A" and resid 252  and name HE% )
 ASSI {  835}
   (( segid "   A" and resid 250  and name HD2 ))
   (  segid "   A" and resid 252  and name HE% )
      6.000     4.500     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.10417E-02 ppm1      1.832 ppm2      6.806 CV     1
 ASSI {  837}
   (( segid "   A" and resid 278  and name HG1 ))
   (( segid "   A" and resid 278  and name HE22))
      6.000     4.500     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.77342E-03 ppm1      2.259 ppm2      6.765 CV     1
 ASSI {  838}
   (( segid "   A" and resid 278  and name HB1 ))
   (( segid "   A" and resid 278  and name HE22))
      6.000     4.500     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.86315E-03 ppm1      1.949 ppm2      6.753 CV     1
 OR {  838}
   (( segid "   A" and resid 270  and name HB1 ))
   (  segid "   A" and resid 229  and name HE% )
 ASSI {  839}
   (  segid "   A" and resid 213  and name HG2%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.17809E-02 ppm1      0.421 ppm2      6.762 CV     1
 ASSI {  840}
   (  segid "   A" and resid 213  and name HG1%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.20705E-02 ppm1      0.357 ppm2      6.769 CV     1
 ASSI {  841}
   (  segid "   A" and resid 225  and name HG2%)
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.13313E-02 ppm1      0.632 ppm2      6.771 CV     1
 ASSI {  842}
   (( segid "   A" and resid 217  and name HA  ))
   (( segid "   A" and resid 278  and name HE22))
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.90201E-03 ppm1      3.899 ppm2      6.741 CV     1
 ASSI {  843}
   (( segid "   A" and resid 171  and name HG2 ))
   (( segid "   A" and resid 167  and name HE21))
      6.000     4.500     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.11370E-02 ppm1      2.666 ppm2      6.725 CV     1
 ASSI {  844}
   (( segid "   A" and resid 171  and name HG1 ))
   (( segid "   A" and resid 167  and name HE21))
      6.000     4.500     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.75491E-03 ppm1      2.266 ppm2      6.727 CV     1
 ASSI {  845}
   (( segid "   A" and resid 167  and name HG1 ))
   (( segid "   A" and resid 167  and name HE21))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.93346E-03 ppm1      2.181 ppm2      6.728 CV     1
 ASSI {  846}
   (  segid "   A" and resid 280  and name HD2%)
   (( segid "   A" and resid 278  and name HE22))
      6.000     4.500     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.89923E-03 ppm1      0.880 ppm2      6.746 CV     1
 ASSI {  848}
   (  segid "   A" and resid 255  and name HD1%)
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.87426E-03 ppm1     -0.120 ppm2      6.694 CV     1
 ASSI {  849}
   (  segid "   A" and resid 266  and name HB% )
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.25710E-02 ppm1      1.264 ppm2      6.681 CV     1
 ASSI {  850}
   (  segid "   A" and resid 255  and name HG2%)
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.10204E-02 ppm1      0.234 ppm2      6.669 CV     1
 ASSI {  851}
   (  segid "   A" and resid 235  and name HD1%)
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.87888E-03 ppm1      0.694 ppm2      6.671 CV     1
 ASSI {  852}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 209  and name HD22))
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.95197E-03 ppm1      3.939 ppm2      6.639 CV     1
 OR {  852}
   (( segid "   A" and resid 260  and name HA  ))
   (( segid "   A" and resid 209  and name HD21))
 ASSI {  853}
   (( segid "   A" and resid 209  and name HB2 ))
   (( segid "   A" and resid 209  and name HD22))
      6.000     4.500     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.11722E-02 ppm1      3.590 ppm2      6.641 CV     1
 ASSI {  854}
   (( segid "   A" and resid 209  and name HB1 ))
   (( segid "   A" and resid 209  and name HD22))
      6.000     4.500     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.14247E-02 ppm1      2.691 ppm2      6.650 CV     1
 ASSI {  855}
   (  segid "   A" and resid 260  and name HB% )
   (( segid "   A" and resid 209  and name HD21))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.14358E-02 ppm1      1.435 ppm2      6.647 CV     1
 OR {  855}
   (  segid "   A" and resid 260  and name HB% )
   (( segid "   A" and resid 209  and name HD22))
 ASSI {  856}
   (( segid "   A" and resid 195  and name HG2 ))
   (( segid "   A" and resid 195  and name HE21))
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.15542E-02 ppm1      2.397 ppm2      6.587 CV     1
 OR {  856}
   (( segid "   A" and resid 195  and name HG1 ))
   (( segid "   A" and resid 195  and name HE21))
 ASSI {  857}
   (  segid "   A" and resid 198  and name HG2%)
   (( segid "   A" and resid 195  and name HE21))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.20751E-02 ppm1      0.940 ppm2      6.580 CV     1
 ASSI {  858}
   (( segid "   A" and resid 135  and name HA  ))
   (( segid "   A" and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.86130E-03 ppm1      3.888 ppm2      6.558 CV     1
 ASSI {  859}
   (( segid "   A" and resid 165  and name HA  ))
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.99822E-03 ppm1      3.647 ppm2      6.558 CV     1
 ASSI {  860}
   (( segid "   A" and resid 271  and name HB2 ))
   (( segid "   A" and resid 271  and name HD22))
      6.000     4.500     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.82060E-03 ppm1      2.935 ppm2      6.565 CV     1
 ASSI {  861}
   (( segid "   A" and resid 271  and name HB1 ))
   (( segid "   A" and resid 271  and name HD22))
      6.000     4.500     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.92699E-03 ppm1      2.841 ppm2      6.569 CV     1
 ASSI {  862}
   (( segid "   A" and resid 272  and name HG  ))
   (( segid "   A" and resid 271  and name HD22))
      6.000     4.500     0.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.10232E-02 ppm1      1.520 ppm2      6.557 CV     1
 OR {  862}
   (( segid "   A" and resid 281  and name HG1 ))
   (  segid "   A" and resid 212  and name HE% )
 OR {  862}
   (( segid "   A" and resid 281  and name HG1 ))
   (( segid "   A" and resid 271  and name HD22))
 ASSI {  863}
   (  segid "   A" and resid 168  and name HD2%)
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.24109E-02 ppm1      1.032 ppm2      6.560 CV     1
 ASSI {  864}
   (  segid "   A" and resid 272  and name HD1%)
   (( segid "   A" and resid 271  and name HD22))
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.16366E-02 ppm1      0.821 ppm2      6.562 CV     1
 ASSI {  865}
   (  segid "   A" and resid 168  and name HD1%)
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.15320E-02 ppm1      0.917 ppm2      6.568 CV     1
 ASSI {  867}
   (  segid "   A" and resid 272  and name HD2%)
   (( segid "   A" and resid 271  and name HD22))
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.14858E-02 ppm1      0.716 ppm2      6.560 CV     1
 ASSI {  868}
   (  segid "   A" and resid 162  and name HG2%)
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.16764E-02 ppm1      0.794 ppm2      6.552 CV     1
 ASSI {  869}
   (  segid "   A" and resid 165  and name HB% )
   (  segid "   A" and resid 212  and name HE% )
      6.000     4.500     0.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      0.669 ppm2      6.554 CV     1
 ASSI {  870}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.74751E-03 ppm1      1.362 ppm2      6.536 CV     1
 ASSI {  871}
   (( segid "   A" and resid 165  and name HA  ))
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.17837E-02 ppm1      3.648 ppm2      6.328 CV     1
 ASSI {  873}
   (  segid "   A" and resid 168  and name HD2%)
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.18762E-02 ppm1      1.029 ppm2      6.341 CV     1
 ASSI {  874}
   (  segid "   A" and resid 162  and name HG1%)
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.17235E-02 ppm1      1.080 ppm2      6.320 CV     1
 ASSI {  875}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.52252E-02 ppm1      0.796 ppm2      6.326 CV     1
 ASSI {  876}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.34841E-02 ppm1      0.668 ppm2      6.326 CV     1
 ASSI {  877}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.98805E-03 ppm1      1.479 ppm2      6.338 CV     1
 ASSI {  878}
   (  segid "   A" and resid 169  and name HB% )
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.10140E-02 ppm1      1.360 ppm2      6.334 CV     1
 ASSI {  879}
   (  segid "   A" and resid 168  and name HD1%)
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.81505E-03 ppm1      0.917 ppm2      6.302 CV     1
 ASSI {  880}
   (( segid "   A" and resid 155  and name HB1 ))
   (  segid "   A" and resid 115  and name HE% )
      6.000     4.500     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10621E-02 ppm1      3.006 ppm2      6.245 CV     1
 ASSI {  881}
   (( segid "   A" and resid 113  and name HA  ))
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.11074E-02 ppm1      5.386 ppm2      7.444 CV     1
 ASSI {  882}
   (( segid "   A" and resid 115  and name HB2 ))
   (( segid "   A" and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.55693E-03 ppm1      2.402 ppm2      8.844 CV     1
 ASSI {  883}
   (( segid "   A" and resid 116  and name HB  ))
   (( segid "   A" and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.69848E-03 ppm1      1.578 ppm2      8.406 CV     1
 ASSI {  884}
   (  segid "   A" and resid 119  and name HD1%)
   (( segid "   A" and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.70496E-03 ppm1      0.254 ppm2      8.139 CV     1
 ASSI {  885}
   (( segid "   A" and resid 131  and name HA  ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.67443E-03 ppm1      4.216 ppm2      8.124 CV     1
 ASSI {  886}
   (( segid "   A" and resid 132  and name HB2 ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.70311E-03 ppm1      3.556 ppm2      8.081 CV     1
 ASSI {  887}
   (( segid "   A" and resid 134  and name HD1 ))
   (( segid "   A" and resid 133  and name HN  ))
      6.000     4.500     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.65407E-03 ppm1      3.747 ppm2      8.653 CV     1
 ASSI {  888}
   (( segid "   A" and resid 142  and name HB2 ))
   (( segid "   A" and resid 143  and name HN  ))
      6.000     4.500     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.55508E-03 ppm1      2.641 ppm2      8.612 CV     1
 ASSI {  889}
   (( segid "   A" and resid 142  and name HB1 ))
   (( segid "   A" and resid 143  and name HN  ))
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.71976E-03 ppm1      2.846 ppm2      8.613 CV     1
 ASSI {  890}
   (( segid "   A" and resid 157  and name HA  ))
   (( segid "   A" and resid 157  and name HN  ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.86408E-03 ppm1      5.482 ppm2      8.480 CV     1
 ASSI {  891}
   (( segid "   A" and resid 159  and name HB1 ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.53473E-03 ppm1      1.696 ppm2      8.670 CV     1
 ASSI {  892}
   (  segid "   A" and resid 162  and name HG2%)
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.10389E-02 ppm1      0.796 ppm2      5.918 CV     1
 ASSI {  893}
   (( segid "   A" and resid 163  and name HA  ))
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.70681E-03 ppm1      4.168 ppm2      9.511 CV     1
 ASSI {  894}
   (( segid "   A" and resid 163  and name HB2 ))
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.56804E-03 ppm1      2.142 ppm2      9.498 CV     1
 ASSI {  895}
   (( segid "   A" and resid 163  and name HG2 ))
   (( segid "   A" and resid 164  and name HN  ))
      6.000     4.500     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.62262E-03 ppm1      1.891 ppm2      9.513 CV     1
 ASSI {  896}
   (  segid "   A" and resid 165  and name HB% )
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.19548E-02 ppm1      0.667 ppm2      5.930 CV     1
 ASSI {  897}
   (( segid "   A" and resid 166  and name HA  ))
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.15320E-02 ppm1      3.667 ppm2      5.921 CV     1
 ASSI {  898}
   (  segid "   A" and resid 166  and name HB% )
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.43565E-02 ppm1      1.478 ppm2      5.928 CV     1
 ASSI {  899}
   (( segid "   A" and resid 185  and name HB  ))
   (( segid "   A" and resid 186  and name HN  ))
      6.000     4.500     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.70311E-03 ppm1      1.915 ppm2      9.002 CV     1
 ASSI {  900}
   (( segid "   A" and resid 196  and name HB2 ))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.65870E-03 ppm1      2.404 ppm2      7.162 CV     1
 ASSI {  901}
   (( segid "   A" and resid 212  and name HB2 ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.55693E-03 ppm1      2.519 ppm2      9.172 CV     1
 ASSI {  902}
   (( segid "   A" and resid 212  and name HB1 ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.58931E-03 ppm1      2.330 ppm2      9.185 CV     1
 ASSI {  903}
   (( segid "   A" and resid 231  and name HA  ))
   (( segid "   A" and resid 231  and name HN  ))
      6.000     4.500     0.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.44148E-02 ppm1      3.889 ppm2      7.476 CV     1
 ASSI {  904}
   (( segid "   A" and resid 242  and name HB2 ))
   (( segid "   A" and resid 243  and name HN  ))
      6.000     4.500     0.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.18577E-02 ppm1      1.386 ppm2      8.470 CV     1
 ASSI {  906}
   (( segid "   A" and resid 249  and name HB2 ))
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.58561E-03 ppm1      2.610 ppm2      8.634 CV     1
 ASSI {  907}
   (( segid "   A" and resid 253  and name HA1 ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.65962E-03 ppm1      4.022 ppm2      8.794 CV     1
 ASSI {  908}
   (( segid "   A" and resid 256  and name HA  ))
   (( segid "   A" and resid 257  and name HN  ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.18262E-02 ppm1      5.055 ppm2      8.852 CV     1
 ASSI {  909}
   (( segid "   A" and resid 139  and name HG1 ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.72438E-03 ppm1      1.305 ppm2      7.736 CV     1
 ASSI {    1}
   (( segid "   B" and resid 28   and name HB1 ))
   (( segid "   B" and resid 28   and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.80371E-02 ppm1      2.902 ppm2      4.649 CV     1
 OR {    1}
   (( segid "   B" and resid 28   and name HB2 ))
   (( segid "   B" and resid 28   and name HA  ))
 ASSI {    2}
   (( segid "   B" and resid 32   and name HD2 ))
   (( segid "   B" and resid 28   and name HA  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10181E-02 ppm1      1.735 ppm2      4.647 CV     1
 OR {    2}
   (( segid "   B" and resid 32   and name HD1 ))
   (( segid "   B" and resid 28   and name HA  ))
 ASSI {    9}
   (( segid "   B" and resid 32   and name HE2 ))
   (( segid "   B" and resid 29   and name HA  ))
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.27064E-02 ppm1      3.013 ppm2      4.476 CV     1
 OR {    9}
   (( segid "   B" and resid 32   and name HE1 ))
   (( segid "   B" and resid 29   and name HA  ))
 ASSI {   10}
   (( segid "   B" and resid 29   and name HB1 ))
   (( segid "   B" and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.50924E-02 ppm1      2.749 ppm2      4.476 CV     1
 ASSI {   11}
   (( segid "   B" and resid 29   and name HB2 ))
   (( segid "   B" and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.34349E-02 ppm1      2.667 ppm2      4.480 CV     1
 ASSI {   12}
   (( segid "   B" and resid 36   and name HG2 ))
   (( segid "   B" and resid 33   and name HA  ))
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.16488E-02 ppm1      2.542 ppm2      4.467 CV     1
 ASSI {   13}
   (( segid "   B" and resid 36   and name HG1 ))
   (( segid "   B" and resid 33   and name HA  ))
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.19334E-02 ppm1      2.489 ppm2      4.467 CV     1
 ASSI {   15}
   (( segid "   B" and resid 32   and name HB1 ))
   (( segid "   B" and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.17221E-02 ppm1      1.926 ppm2      4.475 CV     1
 ASSI {   16}
   (( segid "   B" and resid 32   and name HD2 ))
   (( segid "   B" and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.23998E-02 ppm1      1.736 ppm2      4.480 CV     1
 OR {   16}
   (( segid "   B" and resid 32   and name HD1 ))
   (( segid "   B" and resid 29   and name HA  ))
 ASSI {   17}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 33   and name HA  ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.14582E-02 ppm1      2.303 ppm2      4.462 CV     1
 ASSI {   18}
   (( segid "   B" and resid 36   and name HB1 ))
   (( segid "   B" and resid 33   and name HA  ))
      6.000     4.500     0.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.18381E-02 ppm1      2.260 ppm2      4.466 CV     1
 ASSI {   19}
   (( segid "   B" and resid 32   and name HG2 ))
   (( segid "   B" and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.76609E-03 ppm1      1.654 ppm2      4.475 CV     1
 ASSI {   20}
   (( segid "   B" and resid 32   and name HG1 ))
   (( segid "   B" and resid 29   and name HA  ))
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.90589E-03 ppm1      1.476 ppm2      4.473 CV     1
 ASSI {   22}
   (( segid "   B" and resid 44   and name HE1 ))
   (( segid "   B" and resid 44   and name HA  ))
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.14350E-02 ppm1      3.000 ppm2      4.229 CV     1
 OR {   22}
   (( segid "   B" and resid 44   and name HE2 ))
   (( segid "   B" and resid 44   and name HA  ))
 ASSI {   23}
   (( segid "   B" and resid 31   and name HB1 ))
   (( segid "   B" and resid 31   and name HA  ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.77361E-03 ppm1      3.215 ppm2      4.229 CV     1
 OR {   23}
   (( segid "   B" and resid 31   and name HB2 ))
   (( segid "   B" and resid 31   and name HA  ))
 ASSI {   24}
   (( segid "   B" and resid 44   and name HB2 ))
   (( segid "   B" and resid 44   and name HA  ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.63569E-02 ppm1      1.960 ppm2      4.231 CV     1
 OR {   24}
   (( segid "   B" and resid 44   and name HB1 ))
   (( segid "   B" and resid 44   and name HA  ))
 ASSI {   25}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 44   and name HA  ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.26349E-02 ppm1      1.729 ppm2      4.231 CV     1
 OR {   25}
   (( segid "   B" and resid 44   and name HD1 ))
   (( segid "   B" and resid 44   and name HA  ))
 ASSI {   26}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 31   and name HA  ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.69776E-03 ppm1      0.838 ppm2      4.243 CV     1
 ASSI {   27}
   (( segid "   B" and resid 44   and name HG2 ))
   (( segid "   B" and resid 44   and name HA  ))
      6.000     4.500     0.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.20820E-02 ppm1      1.553 ppm2      4.236 CV     1
 ASSI {   28}
   (( segid "   B" and resid 44   and name HG1 ))
   (( segid "   B" and resid 44   and name HA  ))
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.24249E-02 ppm1      1.511 ppm2      4.235 CV     1
 ASSI {   29}
   (  segid "   B" and resid 42   and name HB% )
   (( segid "   B" and resid 42   and name HA  ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.23108E-01 ppm1      1.479 ppm2      4.166 CV     1
 ASSI {   30}
   (( segid "   B" and resid 40   and name HG2 ))
   (( segid "   B" and resid 40   and name HA  ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.47934E-02 ppm1      2.555 ppm2      4.133 CV     1
 ASSI {   31}
   (( segid "   B" and resid 40   and name HG1 ))
   (( segid "   B" and resid 40   and name HA  ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.46154E-02 ppm1      2.437 ppm2      4.139 CV     1
 ASSI {   32}
   (( segid "   B" and resid 40   and name HB1 ))
   (( segid "   B" and resid 40   and name HA  ))
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.42160E-02 ppm1      2.205 ppm2      4.137 CV     1
 ASSI {   34}
   (( segid "   B" and resid 33   and name HB1 ))
   (( segid "   B" and resid 30   and name HA  ))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.11234E-02 ppm1      2.802 ppm2      4.094 CV     1
 ASSI {   35}
   (( segid "   B" and resid 33   and name HB2 ))
   (( segid "   B" and resid 30   and name HA  ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.15240E-02 ppm1      2.763 ppm2      4.086 CV     1
 ASSI {   36}
   (( segid "   B" and resid 45   and name HB  ))
   (( segid "   B" and resid 45   and name HA  ))
      6.000     4.500     0.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.22864E-02 ppm1      1.899 ppm2      4.102 CV     1
 ASSI {   37}
   (  segid "   B" and resid 30   and name HB% )
   (( segid "   B" and resid 30   and name HA  ))
      6.000     4.500     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.22469E-02 ppm1      1.200 ppm2      4.103 CV     1
 ASSI {   38}
   (  segid "   B" and resid 45   and name HG2%)
   (( segid "   B" and resid 45   and name HA  ))
      6.000     4.500     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.10093E-02 ppm1      0.785 ppm2      4.099 CV     1
 ASSI {   39}
   (( segid "   B" and resid 39   and name HD1 ))
   (( segid "   B" and resid 39   and name HA  ))
      6.000     4.500     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.27490E-02 ppm1      3.187 ppm2      4.062 CV     1
 OR {   39}
   (( segid "   B" and resid 39   and name HD2 ))
   (( segid "   B" and resid 39   and name HA  ))
 ASSI {   40}
   (( segid "   B" and resid 36   and name HG2 ))
   (( segid "   B" and resid 36   and name HA  ))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.48649E-02 ppm1      2.543 ppm2      4.077 CV     1
 ASSI {   41}
   (( segid "   B" and resid 36   and name HG1 ))
   (( segid "   B" and resid 36   and name HA  ))
      6.000     4.500     0.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.38781E-02 ppm1      2.484 ppm2      4.067 CV     1
 ASSI {   42}
   (( segid "   B" and resid 39   and name HB2 ))
   (( segid "   B" and resid 39   and name HA  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.17598E-02 ppm1      1.937 ppm2      4.066 CV     1
 ASSI {   43}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 45   and name HA  ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.85950E-03 ppm1      1.735 ppm2      4.079 CV     1
 OR {   43}
   (( segid "   B" and resid 44   and name HD1 ))
   (( segid "   B" and resid 45   and name HA  ))
 ASSI {   44}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 36   and name HA  ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.43263E-02 ppm1      2.291 ppm2      4.074 CV     1
 ASSI {   45}
   (( segid "   B" and resid 36   and name HB1 ))
   (( segid "   B" and resid 36   and name HA  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.44586E-02 ppm1      2.263 ppm2      4.074 CV     1
 ASSI {   46}
   (( segid "   B" and resid 39   and name HB1 ))
   (( segid "   B" and resid 39   and name HA  ))
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.17021E-02 ppm1      1.983 ppm2      4.046 CV     1
 ASSI {   50}
   (  segid "   B" and resid 41   and name HD1%)
   (( segid "   B" and resid 39   and name HA  ))
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.71280E-03 ppm1      0.982 ppm2      4.059 CV     1
 ASSI {   51}
   (( segid "   B" and resid 31   and name HA  ))
   (( segid "   B" and resid 27   and name HA  ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.54730E-03 ppm1      4.239 ppm2      3.973 CV     1
 OR {   51}
   (( segid "   B" and resid 31   and name HA  ))
   (( segid "   B" and resid 35   and name HA  ))
 ASSI {   52}
   (( segid "   B" and resid 27   and name HB  ))
   (( segid "   B" and resid 27   and name HA  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.52780E-02 ppm1      2.021 ppm2      3.988 CV     1
 ASSI {   54}
   (  segid "   B" and resid 27   and name HG1%)
   (( segid "   B" and resid 27   and name HA  ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.68585E-02 ppm1      0.880 ppm2      3.989 CV     1
 OR {   54}
   (  segid "   B" and resid 27   and name HG2%)
   (( segid "   B" and resid 27   and name HA  ))
 ASSI {   55}
   (  segid "   B" and resid 42   and name HB% )
   (( segid "   B" and resid 38   and name HA  ))
      6.000     4.500     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.18074E-02 ppm1      1.473 ppm2      3.977 CV     1
 ASSI {   56}
   (  segid "   B" and resid 30   and name HB% )
   (( segid "   B" and resid 27   and name HA  ))
      6.000     4.500     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.12676E-02 ppm1      1.196 ppm2      3.978 CV     1
 ASSI {   57}
   (( segid "   B" and resid 35   and name HB1 ))
   (( segid "   B" and resid 35   and name HA  ))
      6.000     4.500     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.16212E-02 ppm1      1.469 ppm2      3.957 CV     1
 ASSI {   58}
   (( segid "   B" and resid 41   and name HB  ))
   (( segid "   B" and resid 38   and name HA  ))
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.15811E-02 ppm1      1.992 ppm2      3.945 CV     1
 ASSI {   59}
   (  segid "   B" and resid 35   and name HD2%)
   (( segid "   B" and resid 35   and name HA  ))
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.65387E-02 ppm1      0.773 ppm2      3.952 CV     1
 ASSI {   60}
   (( segid "   B" and resid 35   and name HG  ))
   (( segid "   B" and resid 35   and name HA  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.10701E-02 ppm1      1.341 ppm2      3.937 CV     1
 ASSI {   61}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 35   and name HA  ))
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.33339E-02 ppm1      0.835 ppm2      3.941 CV     1
 ASSI {   62}
   (  segid "   B" and resid 41   and name HD1%)
   (( segid "   B" and resid 34   and name HA  ))
      6.000     4.500     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.99554E-03 ppm1      0.980 ppm2      3.911 CV     1
 ASSI {   63}
   (( segid "   B" and resid 41   and name HB  ))
   (( segid "   B" and resid 41   and name HA  ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.14814E-02 ppm1      1.997 ppm2      3.876 CV     1
 ASSI {   64}
   (( segid "   B" and resid 32   and name HE2 ))
   (( segid "   B" and resid 32   and name HA  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.18431E-02 ppm1      3.006 ppm2      3.856 CV     1
 OR {   64}
   (( segid "   B" and resid 32   and name HE1 ))
   (( segid "   B" and resid 32   and name HA  ))
 ASSI {   65}
   (( segid "   B" and resid 41   and name HG11))
   (( segid "   B" and resid 41   and name HA  ))
      6.000     4.500     0.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.75355E-03 ppm1      1.368 ppm2      3.868 CV     1
 ASSI {   67}
   (( segid "   B" and resid 44   and name HG1 ))
   (( segid "   B" and resid 41   and name HA  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.89712E-03 ppm1      1.505 ppm2      3.866 CV     1
 ASSI {   68}
   (  segid "   B" and resid 41   and name HG2%)
   (( segid "   B" and resid 41   and name HA  ))
      6.000     4.500     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.14118E-02 ppm1      0.959 ppm2      3.859 CV     1
 ASSI {   69}
   (( segid "   B" and resid 35   and name HB1 ))
   (( segid "   B" and resid 32   and name HA  ))
      6.000     4.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.11272E-02 ppm1      1.476 ppm2      3.833 CV     1
 ASSI {   70}
   (( segid "   B" and resid 32   and name HB2 ))
   (( segid "   B" and resid 32   and name HA  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.35759E-02 ppm1      1.926 ppm2      3.835 CV     1
 OR {   70}
   (( segid "   B" and resid 32   and name HB1 ))
   (( segid "   B" and resid 32   and name HA  ))
 ASSI {   71}
   (( segid "   B" and resid 32   and name HD2 ))
   (( segid "   B" and resid 32   and name HA  ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.27848E-02 ppm1      1.732 ppm2      3.844 CV     1
 OR {   71}
   (( segid "   B" and resid 32   and name HD1 ))
   (( segid "   B" and resid 32   and name HA  ))
 ASSI {   72}
   (( segid "   B" and resid 32   and name HG2 ))
   (( segid "   B" and resid 32   and name HA  ))
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11767E-02 ppm1      1.670 ppm2      3.828 CV     1
 ASSI {   73}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 32   and name HA  ))
      6.000     4.500     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.50642E-02 ppm1      0.836 ppm2      3.831 CV     1
 ASSI {   74}
   (( segid "   B" and resid 32   and name HG1 ))
   (( segid "   B" and resid 32   and name HA  ))
      6.000     4.500     0.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.21328E-02 ppm1      1.471 ppm2      3.822 CV     1
 ASSI {   76}
   (( segid "   B" and resid 28   and name HB1 ))
   (( segid "   B" and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.99053E-03 ppm1      2.917 ppm2      3.236 CV     1
 OR {   76}
   (( segid "   B" and resid 28   and name HB2 ))
   (( segid "   B" and resid 31   and name HB2 ))
 OR {   76}
   (( segid "   B" and resid 28   and name HB1 ))
   (( segid "   B" and resid 31   and name HB1 ))
 ASSI {   77}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 39   and name HD1 ))
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.99053E-03 ppm1      0.838 ppm2      3.203 CV     1
 OR {   77}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 39   and name HD2 ))
 ASSI {   78}
   (  segid "   B" and resid 35   and name HD2%)
   (( segid "   B" and resid 39   and name HD2 ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.79305E-03 ppm1      0.777 ppm2      3.196 CV     1
 OR {   78}
   (  segid "   B" and resid 35   and name HD2%)
   (( segid "   B" and resid 39   and name HD1 ))
 ASSI {   80}
   (( segid "   B" and resid 39   and name HB1 ))
   (( segid "   B" and resid 39   and name HD1 ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.19610E-02 ppm1      2.000 ppm2      3.180 CV     1
 OR {   80}
   (( segid "   B" and resid 39   and name HB1 ))
   (( segid "   B" and resid 39   and name HD2 ))
 ASSI {   81}
   (( segid "   B" and resid 39   and name HB2 ))
   (( segid "   B" and resid 39   and name HD1 ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.17949E-02 ppm1      1.943 ppm2      3.181 CV     1
 ASSI {   86}
   (( segid "   B" and resid 32   and name HB2 ))
   (( segid "   B" and resid 32   and name HE1 ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.11717E-02 ppm1      1.904 ppm2      3.009 CV     1
 OR {   86}
   (( segid "   B" and resid 32   and name HB2 ))
   (( segid "   B" and resid 32   and name HE2 ))
 OR {   86}
   (( segid "   B" and resid 32   and name HB1 ))
   (( segid "   B" and resid 32   and name HE1 ))
 ASSI {   87}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 44   and name HE2 ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16018E-01 ppm1      1.732 ppm2      3.007 CV     1
 OR {   87}
   (( segid "   B" and resid 44   and name HD1 ))
   (( segid "   B" and resid 44   and name HE1 ))
 OR {   87}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 44   and name HE1 ))
 ASSI {   88}
   (( segid "   B" and resid 32   and name HG2 ))
   (( segid "   B" and resid 32   and name HE2 ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.18181E-02 ppm1      1.660 ppm2      3.014 CV     1
 OR {   88}
   (( segid "   B" and resid 32   and name HG2 ))
   (( segid "   B" and resid 32   and name HE1 ))
 ASSI {   89}
   (( segid "   B" and resid 32   and name HG1 ))
   (( segid "   B" and resid 32   and name HE2 ))
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.29308E-02 ppm1      1.472 ppm2      3.013 CV     1
 OR {   89}
   (( segid "   B" and resid 32   and name HG1 ))
   (( segid "   B" and resid 32   and name HE1 ))
 ASSI {   94}
   (( segid "   B" and resid 44   and name HB1 ))
   (( segid "   B" and resid 44   and name HE1 ))
      6.000     4.500     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.24143E-02 ppm1      1.948 ppm2      3.002 CV     1
 OR {   94}
   (( segid "   B" and resid 44   and name HB1 ))
   (( segid "   B" and resid 44   and name HE2 ))
 OR {   94}
   (( segid "   B" and resid 44   and name HB2 ))
   (( segid "   B" and resid 44   and name HE1 ))
 ASSI {   95}
   (( segid "   B" and resid 44   and name HG2 ))
   (( segid "   B" and resid 44   and name HE1 ))
      6.000     4.500     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.23998E-02 ppm1      1.553 ppm2      2.997 CV     1
 OR {   95}
   (( segid "   B" and resid 44   and name HG2 ))
   (( segid "   B" and resid 44   and name HE2 ))
 ASSI {   96}
   (( segid "   B" and resid 44   and name HG1 ))
   (( segid "   B" and resid 44   and name HE1 ))
      6.000     4.500     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.28989E-02 ppm1      1.508 ppm2      2.998 CV     1
 OR {   96}
   (( segid "   B" and resid 44   and name HG1 ))
   (( segid "   B" and resid 44   and name HE2 ))
 ASSI {   97}
   (( segid "   B" and resid 37   and name HD2 ))
   (( segid "   B" and resid 37   and name HD1 ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      3.460 ppm2      2.952 CV     1
 ASSI {   98}
   (  segid "   B" and resid 27   and name HG1%)
   (( segid "   B" and resid 28   and name HB1 ))
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.11002E-02 ppm1      0.892 ppm2      2.904 CV     1
 OR {   98}
   (  segid "   B" and resid 27   and name HG1%)
   (( segid "   B" and resid 28   and name HB2 ))
 OR {   98}
   (  segid "   B" and resid 27   and name HG2%)
   (( segid "   B" and resid 28   and name HB1 ))
 ASSI {  100}
   (  segid "   B" and resid 30   and name HB% )
   (( segid "   B" and resid 33   and name HB1 ))
      6.000     4.500     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.74290E-03 ppm1      1.202 ppm2      2.777 CV     1
 ASSI {  102}
   (( segid "   B" and resid 32   and name HD2 ))
   (( segid "   B" and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.11786E-02 ppm1      1.731 ppm2      2.731 CV     1
 OR {  102}
   (( segid "   B" and resid 32   and name HD1 ))
   (( segid "   B" and resid 29   and name HB1 ))
 ASSI {  103}
   (( segid "   B" and resid 32   and name HD2 ))
   (( segid "   B" and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      1.734 ppm2      2.690 CV     1
 OR {  103}
   (( segid "   B" and resid 32   and name HD1 ))
   (( segid "   B" and resid 29   and name HB2 ))
 ASSI {  106}
   (( segid "   B" and resid 40   and name HG1 ))
   (( segid "   B" and resid 40   and name HG2 ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.32919E-01 ppm1      2.436 ppm2      2.553 CV     1
 ASSI {  108}
   (( segid "   B" and resid 40   and name HB1 ))
   (( segid "   B" and resid 40   and name HG2 ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.36668E-02 ppm1      2.207 ppm2      2.547 CV     1
 ASSI {  109}
   (  segid "   B" and resid 43   and name HB% )
   (( segid "   B" and resid 40   and name HG2 ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.83066E-03 ppm1      1.485 ppm2      2.556 CV     1
 ASSI {  110}
   (( segid "   B" and resid 32   and name HE1 ))
   (( segid "   B" and resid 36   and name HG2 ))
      6.000     4.500     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.80559E-03 ppm1      3.005 ppm2      2.522 CV     1
 OR {  110}
   (( segid "   B" and resid 32   and name HE2 ))
   (( segid "   B" and resid 36   and name HG2 ))
 ASSI {  112}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 36   and name HG1 ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.58836E-02 ppm1      2.296 ppm2      2.494 CV     1
 ASSI {  113}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 36   and name HG1 ))
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.62817E-03 ppm1      0.840 ppm2      2.495 CV     1
 ASSI {  114}
   (( segid "   B" and resid 36   and name HB1 ))
   (( segid "   B" and resid 36   and name HG2 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.68271E-02 ppm1      2.263 ppm2      2.501 CV     1
 ASSI {  116}
   (( segid "   B" and resid 40   and name HB1 ))
   (( segid "   B" and resid 40   and name HG1 ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.56911E-02 ppm1      2.205 ppm2      2.433 CV     1
 ASSI {  117}
   (  segid "   B" and resid 43   and name HB% )
   (( segid "   B" and resid 40   and name HG1 ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.91530E-03 ppm1      1.483 ppm2      2.431 CV     1
 ASSI {  122}
   (( segid "   B" and resid 44   and name HE1 ))
   (( segid "   B" and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10789E-02 ppm1      3.009 ppm2      2.244 CV     1
 OR {  122}
   (( segid "   B" and resid 44   and name HE2 ))
   (( segid "   B" and resid 40   and name HB2 ))
 ASSI {  123}
   (( segid "   B" and resid 40   and name HG1 ))
   (( segid "   B" and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.93599E-02 ppm1      2.438 ppm2      2.241 CV     1
 ASSI {  127}
   (  segid "   B" and resid 43   and name HB% )
   (( segid "   B" and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.11040E-02 ppm1      1.476 ppm2      2.219 CV     1
 OR {  127}
   (  segid "   B" and resid 42   and name HB% )
   (( segid "   B" and resid 40   and name HB1 ))
 ASSI {  132}
   (  segid "   B" and resid 27   and name HG1%)
   (( segid "   B" and resid 27   and name HB  ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.10212E-01 ppm1      0.880 ppm2      2.018 CV     1
 OR {  132}
   (  segid "   B" and resid 27   and name HG2%)
   (( segid "   B" and resid 27   and name HB  ))
 ASSI {  135}
   (  segid "   B" and resid 41   and name HG2%)
   (( segid "   B" and resid 41   and name HB  ))
      6.000     4.500     0.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.19083E-02 ppm1      0.962 ppm2      1.980 CV     1
 ASSI {  136}
   (  segid "   B" and resid 41   and name HD1%)
   (( segid "   B" and resid 41   and name HB  ))
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.11234E-02 ppm1      0.982 ppm2      1.983 CV     1
 ASSI {  138}
   (( segid "   B" and resid 41   and name HG11))
   (( segid "   B" and resid 41   and name HB  ))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.90088E-03 ppm1      1.369 ppm2      1.960 CV     1
 ASSI {  139}
   (( segid "   B" and resid 44   and name HG2 ))
   (( segid "   B" and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.44655E-02 ppm1      1.550 ppm2      1.959 CV     1
 OR {  139}
   (( segid "   B" and resid 44   and name HG2 ))
   (( segid "   B" and resid 44   and name HB1 ))
 ASSI {  140}
   (( segid "   B" and resid 44   and name HG1 ))
   (( segid "   B" and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.53062E-02 ppm1      1.508 ppm2      1.958 CV     1
 OR {  140}
   (( segid "   B" and resid 44   and name HG1 ))
   (( segid "   B" and resid 44   and name HB2 ))
 ASSI {  141}
   (( segid "   B" and resid 40   and name HA  ))
   (( segid "   B" and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.86452E-03 ppm1      4.135 ppm2      1.949 CV     1
 OR {  141}
   (( segid "   B" and resid 40   and name HA  ))
   (( segid "   B" and resid 44   and name HB1 ))
 ASSI {  142}
   (( segid "   B" and resid 32   and name HE1 ))
   (( segid "   B" and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.68083E-02 ppm1      3.007 ppm2      1.947 CV     1
 OR {  142}
   (( segid "   B" and resid 44   and name HE1 ))
   (( segid "   B" and resid 44   and name HB1 ))
 OR {  142}
   (( segid "   B" and resid 32   and name HE2 ))
   (( segid "   B" and resid 32   and name HB2 ))
 OR {  142}
   (( segid "   B" and resid 44   and name HE2 ))
   (( segid "   B" and resid 44   and name HB1 ))
 OR {  142}
   (( segid "   B" and resid 32   and name HE1 ))
   (( segid "   B" and resid 32   and name HB1 ))
 OR {  142}
   (( segid "   B" and resid 44   and name HE1 ))
   (( segid "   B" and resid 44   and name HB2 ))
 ASSI {  143}
   (( segid "   B" and resid 33   and name HB1 ))
   (( segid "   B" and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.66829E-03 ppm1      2.798 ppm2      1.935 CV     1
 OR {  143}
   (( segid "   B" and resid 33   and name HB1 ))
   (( segid "   B" and resid 32   and name HB2 ))
 ASSI {  144}
   (( segid "   B" and resid 33   and name HB2 ))
   (( segid "   B" and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.11071E-02 ppm1      2.742 ppm2      1.929 CV     1
 OR {  144}
   (( segid "   B" and resid 33   and name HB2 ))
   (( segid "   B" and resid 32   and name HB2 ))
 ASSI {  145}
   (( segid "   B" and resid 40   and name HG1 ))
   (( segid "   B" and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.12388E-02 ppm1      2.440 ppm2      1.939 CV     1
 OR {  145}
   (( segid "   B" and resid 40   and name HG1 ))
   (( segid "   B" and resid 44   and name HB2 ))
 ASSI {  146}
   (( segid "   B" and resid 32   and name HD1 ))
   (( segid "   B" and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.13378E-01 ppm1      1.731 ppm2      1.941 CV     1
 OR {  146}
   (( segid "   B" and resid 32   and name HD1 ))
   (( segid "   B" and resid 32   and name HB1 ))
 OR {  146}
   (( segid "   B" and resid 32   and name HD2 ))
   (( segid "   B" and resid 32   and name HB1 ))
 ASSI {  147}
   (( segid "   B" and resid 40   and name HB2 ))
   (( segid "   B" and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.13924E-02 ppm1      2.259 ppm2      1.931 CV     1
 OR {  147}
   (( segid "   B" and resid 36   and name HB1 ))
   (( segid "   B" and resid 39   and name HB2 ))
 OR {  147}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 32   and name HB2 ))
 OR {  147}
   (( segid "   B" and resid 40   and name HB2 ))
   (( segid "   B" and resid 44   and name HB1 ))
 OR {  147}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 39   and name HB2 ))
 OR {  147}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 32   and name HB1 ))
 ASSI {  148}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.10952E-02 ppm1      2.301 ppm2      1.930 CV     1
 OR {  148}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 39   and name HB2 ))
 OR {  148}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 32   and name HB1 ))
 ASSI {  149}
   (  segid "   B" and resid 43   and name HB% )
   (( segid "   B" and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.16087E-02 ppm1      1.476 ppm2      1.950 CV     1
 OR {  149}
   (  segid "   B" and resid 42   and name HB% )
   (( segid "   B" and resid 39   and name HB2 ))
 OR {  149}
   (  segid "   B" and resid 43   and name HB% )
   (( segid "   B" and resid 44   and name HB2 ))
 ASSI {  152}
   (( segid "   B" and resid 29   and name HA  ))
   (( segid "   B" and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.37170E-02 ppm1      4.479 ppm2      1.922 CV     1
 ASSI {  154}
   (( segid "   B" and resid 36   and name HG1 ))
   (( segid "   B" and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.15886E-02 ppm1      2.482 ppm2      1.916 CV     1
 OR {  154}
   (( segid "   B" and resid 36   and name HG1 ))
   (( segid "   B" and resid 32   and name HB1 ))
 ASSI {  156}
   (( segid "   B" and resid 32   and name HG2 ))
   (( segid "   B" and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.44442E-02 ppm1      1.661 ppm2      1.921 CV     1
 OR {  156}
   (( segid "   B" and resid 32   and name HG2 ))
   (( segid "   B" and resid 32   and name HB1 ))
 ASSI {  157}
   (( segid "   B" and resid 32   and name HG1 ))
   (( segid "   B" and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.52849E-02 ppm1      1.473 ppm2      1.921 CV     1
 OR {  157}
   (( segid "   B" and resid 32   and name HG1 ))
   (( segid "   B" and resid 32   and name HB2 ))
 ASSI {  158}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.29484E-02 ppm1      0.837 ppm2      1.913 CV     1
 OR {  158}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 32   and name HB1 ))
 ASSI {  161}
   (  segid "   B" and resid 45   and name HG2%)
   (( segid "   B" and resid 45   and name HB  ))
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.15510E-02 ppm1      0.798 ppm2      1.901 CV     1
 ASSI {  162}
   (( segid "   B" and resid 37   and name HD2 ))
   (( segid "   B" and resid 37   and name HG2 ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.11447E-02 ppm1      3.470 ppm2      1.879 CV     1
 ASSI {  163}
   (( segid "   B" and resid 38   and name HA  ))
   (( segid "   B" and resid 39   and name HG2 ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.86452E-03 ppm1      3.977 ppm2      1.758 CV     1
 OR {  163}
   (( segid "   B" and resid 38   and name HA  ))
   (( segid "   B" and resid 39   and name HG1 ))
 ASSI {  164}
   (( segid "   B" and resid 44   and name HA  ))
   (( segid "   B" and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.15936E-02 ppm1      4.235 ppm2      1.723 CV     1
 OR {  164}
   (( segid "   B" and resid 44   and name HA  ))
   (( segid "   B" and resid 44   and name HD1 ))
 ASSI {  165}
   (( segid "   B" and resid 29   and name HA  ))
   (( segid "   B" and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.25070E-02 ppm1      4.482 ppm2      1.724 CV     1
 OR {  165}
   (( segid "   B" and resid 29   and name HA  ))
   (( segid "   B" and resid 32   and name HD1 ))
 ASSI {  166}
   (( segid "   B" and resid 44   and name HE2 ))
   (( segid "   B" and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.25584E-01 ppm1      3.009 ppm2      1.729 CV     1
 OR {  166}
   (( segid "   B" and resid 32   and name HE1 ))
   (( segid "   B" and resid 32   and name HD1 ))
 OR {  166}
   (( segid "   B" and resid 32   and name HE2 ))
   (( segid "   B" and resid 32   and name HD2 ))
 OR {  166}
   (( segid "   B" and resid 44   and name HE1 ))
   (( segid "   B" and resid 44   and name HD1 ))
 OR {  166}
   (( segid "   B" and resid 44   and name HE1 ))
   (( segid "   B" and resid 44   and name HD2 ))
 OR {  166}
   (( segid "   B" and resid 32   and name HE1 ))
   (( segid "   B" and resid 32   and name HD2 ))
 ASSI {  167}
   (( segid "   B" and resid 44   and name HB1 ))
   (( segid "   B" and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.70904E-02 ppm1      1.948 ppm2      1.721 CV     1
 OR {  167}
   (( segid "   B" and resid 44   and name HB2 ))
   (( segid "   B" and resid 44   and name HD2 ))
 OR {  167}
   (( segid "   B" and resid 44   and name HB1 ))
   (( segid "   B" and resid 44   and name HD2 ))
 OR {  167}
   (( segid "   B" and resid 44   and name HB2 ))
   (( segid "   B" and resid 44   and name HD1 ))
 ASSI {  168}
   (( segid "   B" and resid 44   and name HG2 ))
   (( segid "   B" and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.10601E-01 ppm1      1.553 ppm2      1.723 CV     1
 OR {  168}
   (( segid "   B" and resid 44   and name HG2 ))
   (( segid "   B" and resid 44   and name HD1 ))
 ASSI {  169}
   (( segid "   B" and resid 44   and name HG1 ))
   (( segid "   B" and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.11767E-01 ppm1      1.509 ppm2      1.723 CV     1
 OR {  169}
   (( segid "   B" and resid 44   and name HG1 ))
   (( segid "   B" and resid 44   and name HD2 ))
 ASSI {  170}
   (( segid "   B" and resid 35   and name HB1 ))
   (( segid "   B" and resid 35   and name HB2 ))
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.33747E-02 ppm1      1.475 ppm2      1.701 CV     1
 ASSI {  171}
   (( segid "   B" and resid 41   and name HB  ))
   (( segid "   B" and resid 41   and name HG12))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.11466E-02 ppm1      1.990 ppm2      1.713 CV     1
 ASSI {  172}
   (( segid "   B" and resid 40   and name HG1 ))
   (( segid "   B" and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.83192E-03 ppm1      2.442 ppm2      1.710 CV     1
 OR {  172}
   (( segid "   B" and resid 40   and name HG1 ))
   (( segid "   B" and resid 44   and name HD2 ))
 OR {  172}
   (( segid "   B" and resid 40   and name HG1 ))
   (( segid "   B" and resid 41   and name HG12))
 ASSI {  173}
   (( segid "   B" and resid 36   and name HG2 ))
   (( segid "   B" and resid 35   and name HB2 ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.12388E-02 ppm1      2.544 ppm2      1.696 CV     1
 OR {  173}
   (( segid "   B" and resid 40   and name HG2 ))
   (( segid "   B" and resid 41   and name HG12))
 ASSI {  174}
   (( segid "   B" and resid 40   and name HB2 ))
   (( segid "   B" and resid 41   and name HG12))
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.85323E-03 ppm1      2.289 ppm2      1.708 CV     1
 OR {  174}
   (( segid "   B" and resid 36   and name HB2 ))
   (( segid "   B" and resid 35   and name HB2 ))
 OR {  174}
   (( segid "   B" and resid 36   and name HB1 ))
   (( segid "   B" and resid 35   and name HB2 ))
 OR {  174}
   (( segid "   B" and resid 40   and name HB2 ))
   (( segid "   B" and resid 44   and name HD1 ))
 ASSI {  175}
   (( segid "   B" and resid 35   and name HG  ))
   (( segid "   B" and resid 35   and name HB2 ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.22437E-02 ppm1      1.338 ppm2      1.698 CV     1
 ASSI {  176}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 35   and name HB2 ))
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.57551E-02 ppm1      0.837 ppm2      1.706 CV     1
 ASSI {  177}
   (  segid "   B" and resid 35   and name HD2%)
   (( segid "   B" and resid 35   and name HB2 ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.44442E-02 ppm1      0.773 ppm2      1.698 CV     1
 ASSI {  183}
   (  segid "   B" and resid 27   and name HG1%)
   (( segid "   B" and resid 32   and name HG2 ))
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.96420E-03 ppm1      0.897 ppm2      1.676 CV     1
 ASSI {  184}
   (  segid "   B" and resid 41   and name HD1%)
   (( segid "   B" and resid 41   and name HG12))
      6.000     4.500     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.13335E-02 ppm1      0.983 ppm2      1.680 CV     1
 ASSI {  185}
   (( segid "   B" and resid 35   and name HA  ))
   (( segid "   B" and resid 37   and name HG1 ))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.92157E-03 ppm1      3.966 ppm2      1.657 CV     1
 ASSI {  186}
   (( segid "   B" and resid 37   and name HD2 ))
   (( segid "   B" and resid 37   and name HG1 ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.10244E-02 ppm1      3.470 ppm2      1.649 CV     1
 ASSI {  187}
   (( segid "   B" and resid 36   and name HG1 ))
   (( segid "   B" and resid 37   and name HG1 ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.97674E-03 ppm1      2.496 ppm2      1.661 CV     1
 OR {  187}
   (( segid "   B" and resid 36   and name HG1 ))
   (( segid "   B" and resid 32   and name HG2 ))
 ASSI {  188}
   (( segid "   B" and resid 32   and name HG1 ))
   (( segid "   B" and resid 32   and name HG2 ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.13899E-01 ppm1      1.471 ppm2      1.670 CV     1
 ASSI {  189}
   (( segid "   B" and resid 38   and name HA  ))
   (  segid "   B" and resid 38   and name HB% )
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16795E-02 ppm1      3.973 ppm2      1.615 CV     1
 ASSI {  191}
   (( segid "   B" and resid 44   and name HE1 ))
   (( segid "   B" and resid 44   and name HG1 ))
      6.000     4.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.10413E-01 ppm1      3.003 ppm2      1.516 CV     1
 OR {  191}
   (( segid "   B" and resid 44   and name HE2 ))
   (( segid "   B" and resid 44   and name HG1 ))
 ASSI {  192}
   (( segid "   B" and resid 44   and name HB1 ))
   (( segid "   B" and resid 44   and name HG1 ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.62942E-02 ppm1      1.958 ppm2      1.511 CV     1
 OR {  192}
   (( segid "   B" and resid 44   and name HB2 ))
   (( segid "   B" and resid 44   and name HG1 ))
 ASSI {  193}
   (( segid "   B" and resid 44   and name HD1 ))
   (( segid "   B" and resid 44   and name HG1 ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.25910E-01 ppm1      1.729 ppm2      1.526 CV     1
 OR {  193}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 44   and name HG1 ))
 ASSI {  194}
   (( segid "   B" and resid 45   and name HA  ))
   (( segid "   B" and resid 45   and name HG12))
      6.000     4.500     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      4.103 ppm2      1.470 CV     1
 ASSI {  196}
   (( segid "   B" and resid 40   and name HA  ))
   (  segid "   B" and resid 43   and name HB% )
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.27315E-02 ppm1      4.145 ppm2      1.478 CV     1
 ASSI {  198}
   (( segid "   B" and resid 34   and name HA  ))
   (( segid "   B" and resid 35   and name HB1 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.16062E-02 ppm1      3.936 ppm2      1.469 CV     1
 ASSI {  200}
   (( segid "   B" and resid 39   and name HD1 ))
   (( segid "   B" and resid 35   and name HB1 ))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.86326E-03 ppm1      3.189 ppm2      1.471 CV     1
 OR {  200}
   (( segid "   B" and resid 39   and name HD2 ))
   (  segid "   B" and resid 42   and name HB% )
 OR {  200}
   (( segid "   B" and resid 39   and name HD2 ))
   (( segid "   B" and resid 35   and name HB1 ))
 OR {  200}
   (( segid "   B" and resid 39   and name HD1 ))
   (  segid "   B" and resid 42   and name HB% )
 ASSI {  202}
   (( segid "   B" and resid 45   and name HB  ))
   (( segid "   B" and resid 45   and name HG12))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.13817E-02 ppm1      1.904 ppm2      1.475 CV     1
 ASSI {  205}
   (( segid "   B" and resid 36   and name HG1 ))
   (( segid "   B" and resid 35   and name HB1 ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.71656E-03 ppm1      2.484 ppm2      1.481 CV     1
 ASSI {  206}
   (( segid "   B" and resid 40   and name HB1 ))
   (  segid "   B" and resid 43   and name HB% )
      6.000     4.500     0.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.88709E-03 ppm1      2.200 ppm2      1.477 CV     1
 OR {  206}
   (( segid "   B" and resid 40   and name HB1 ))
   (  segid "   B" and resid 42   and name HB% )
 ASSI {  207}
   (( segid "   B" and resid 35   and name HG  ))
   (( segid "   B" and resid 35   and name HB1 ))
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.31477E-02 ppm1      1.335 ppm2      1.465 CV     1
 ASSI {  209}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 35   and name HB1 ))
      6.000     4.500     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.67770E-02 ppm1      0.836 ppm2      1.471 CV     1
 ASSI {  210}
   (  segid "   B" and resid 35   and name HD2%)
   (( segid "   B" and resid 35   and name HB1 ))
      6.000     4.500     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.67393E-02 ppm1      0.773 ppm2      1.472 CV     1
 ASSI {  211}
   (  segid "   B" and resid 27   and name HG1%)
   (( segid "   B" and resid 32   and name HG1 ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.98300E-03 ppm1      0.891 ppm2      1.464 CV     1
 ASSI {  212}
   (( segid "   B" and resid 45   and name HG11))
   (( segid "   B" and resid 45   and name HG12))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.13529E-02 ppm1      1.098 ppm2      1.456 CV     1
 ASSI {  216}
   (  segid "   B" and resid 41   and name HD1%)
   (( segid "   B" and resid 41   and name HG11))
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.13015E-02 ppm1      0.980 ppm2      1.374 CV     1
 ASSI {  218}
   (( segid "   B" and resid 32   and name HA  ))
   (( segid "   B" and resid 35   and name HG  ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.85449E-03 ppm1      3.832 ppm2      1.336 CV     1
 ASSI {  220}
   (( segid "   B" and resid 39   and name HD2 ))
   (( segid "   B" and resid 35   and name HG  ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.84069E-03 ppm1      3.193 ppm2      1.325 CV     1
 OR {  220}
   (( segid "   B" and resid 39   and name HD1 ))
   (( segid "   B" and resid 35   and name HG  ))
 ASSI {  222}
   (  segid "   B" and resid 35   and name HD1%)
   (( segid "   B" and resid 35   and name HG  ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.72722E-02 ppm1      0.836 ppm2      1.337 CV     1
 ASSI {  223}
   (  segid "   B" and resid 35   and name HD2%)
   (( segid "   B" and resid 35   and name HG  ))
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.79681E-02 ppm1      0.773 ppm2      1.336 CV     1
 ASSI {  224}
   (( segid "   B" and resid 31   and name HA  ))
   (  segid "   B" and resid 34   and name HB% )
      6.000     4.500     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.65701E-03 ppm1      4.233 ppm2      1.301 CV     1
 ASSI {  225}
   (( segid "   B" and resid 34   and name HA  ))
   (  segid "   B" and resid 34   and name HB% )
      6.000     4.500     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.12106E-02 ppm1      3.924 ppm2      1.292 CV     1
 ASSI {  230}
   (( segid "   B" and resid 33   and name HB2 ))
   (  segid "   B" and resid 30   and name HB% )
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.69086E-03 ppm1      2.760 ppm2      1.194 CV     1
 ASSI {  231}
   (( segid "   B" and resid 44   and name HE2 ))
   (( segid "   B" and resid 45   and name HG11))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.11053E-02 ppm1      3.006 ppm2      1.113 CV     1
 OR {  231}
   (( segid "   B" and resid 44   and name HE1 ))
   (( segid "   B" and resid 45   and name HG11))
 ASSI {  232}
   (( segid "   B" and resid 45   and name HA  ))
   (( segid "   B" and resid 45   and name HG11))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.14990E-02 ppm1      4.104 ppm2      1.088 CV     1
 ASSI {  233}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 45   and name HG11))
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      1.730 ppm2      1.098 CV     1
 OR {  233}
   (( segid "   B" and resid 44   and name HD1 ))
   (( segid "   B" and resid 45   and name HG11))
 ASSI {  235}
   (( segid "   B" and resid 45   and name HB  ))
   (( segid "   B" and resid 45   and name HG11))
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      1.898 ppm2      1.079 CV     1
 ASSI {  236}
   (( segid "   B" and resid 38   and name HA  ))
   (  segid "   B" and resid 41   and name HD1%)
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.14833E-02 ppm1      3.971 ppm2      0.975 CV     1
 ASSI {  239}
   (( segid "   B" and resid 41   and name HG11))
   (  segid "   B" and resid 41   and name HG2%)
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.17547E-02 ppm1      1.367 ppm2      0.962 CV     1
 ASSI {  240}
   (( segid "   B" and resid 27   and name HA  ))
   (  segid "   B" and resid 27   and name HG1%)
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.10056E-01 ppm1      3.991 ppm2      0.886 CV     1
 OR {  240}
   (( segid "   B" and resid 27   and name HA  ))
   (  segid "   B" and resid 27   and name HG2%)
 ASSI {  241}
   (( segid "   B" and resid 28   and name HB1 ))
   (  segid "   B" and resid 27   and name HG1%)
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.83693E-03 ppm1      2.899 ppm2      0.892 CV     1
 OR {  241}
   (( segid "   B" and resid 28   and name HB2 ))
   (  segid "   B" and resid 27   and name HG1%)
 OR {  241}
   (( segid "   B" and resid 28   and name HB1 ))
   (  segid "   B" and resid 27   and name HG2%)
 ASSI {  243}
   (( segid "   B" and resid 27   and name HB  ))
   (  segid "   B" and resid 27   and name HG1%)
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.15209E-01 ppm1      2.020 ppm2      0.887 CV     1
 OR {  243}
   (( segid "   B" and resid 27   and name HB  ))
   (  segid "   B" and resid 27   and name HG2%)
 ASSI {  245}
   (( segid "   B" and resid 34   and name HA  ))
   (  segid "   B" and resid 35   and name HD1%)
      6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11730E-02 ppm1      3.924 ppm2      0.846 CV     1
 ASSI {  246}
   (( segid "   B" and resid 39   and name HD1 ))
   (  segid "   B" and resid 35   and name HD1%)
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.11040E-02 ppm1      3.187 ppm2      0.840 CV     1
 OR {  246}
   (( segid "   B" and resid 39   and name HD2 ))
   (  segid "   B" and resid 35   and name HD1%)
 ASSI {  247}
   (( segid "   B" and resid 36   and name HG2 ))
   (  segid "   B" and resid 35   and name HD1%)
      6.000     4.500     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.81562E-03 ppm1      2.540 ppm2      0.843 CV     1
 ASSI {  248}
   (( segid "   B" and resid 32   and name HB2 ))
   (  segid "   B" and resid 35   and name HD1%)
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.80057E-03 ppm1      1.902 ppm2      0.840 CV     1
 OR {  248}
   (( segid "   B" and resid 32   and name HB1 ))
   (  segid "   B" and resid 35   and name HD1%)
 ASSI {  249}
   (( segid "   B" and resid 32   and name HG1 ))
   (  segid "   B" and resid 35   and name HD1%)
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.97799E-03 ppm1      1.475 ppm2      0.839 CV     1
 ASSI {  252}
   (( segid "   B" and resid 32   and name HD2 ))
   (  segid "   B" and resid 35   and name HD1%)
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.23221E-02 ppm1      1.733 ppm2      0.825 CV     1
 OR {  252}
   (( segid "   B" and resid 32   and name HD1 ))
   (  segid "   B" and resid 35   and name HD1%)
 ASSI {  255}
   (( segid "   B" and resid 39   and name HD2 ))
   (  segid "   B" and resid 35   and name HD2%)
      6.000     4.500     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.10570E-02 ppm1      3.182 ppm2      0.798 CV     1
 OR {  255}
   (( segid "   B" and resid 39   and name HD1 ))
   (  segid "   B" and resid 35   and name HD2%)
 ASSI {  257}
   (( segid "   B" and resid 45   and name HG12))
   (  segid "   B" and resid 45   and name HG2%)
      6.000     4.500     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.73537E-03 ppm1      1.460 ppm2      0.783 CV     1
 ASSI {  259}
   (( segid "   B" and resid 28   and name HA  ))
   (( segid "   B" and resid 27   and name HA  ))
      6.000     4.500     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.10952E-02 ppm1      4.638 ppm2      3.992 CV     1
 ASSI {  260}
   (( segid "   B" and resid 28   and name HA  ))
   (( segid "   B" and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.15886E-02 ppm1      4.646 ppm2      3.225 CV     1
 OR {  260}
   (( segid "   B" and resid 28   and name HA  ))
   (( segid "   B" and resid 31   and name HB1 ))
 ASSI {  261}
   (( segid "   B" and resid 28   and name HA  ))
   (( segid "   B" and resid 28   and name HB1 ))
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.10557E-01 ppm1      4.652 ppm2      2.898 CV     1
 OR {  261}
   (( segid "   B" and resid 28   and name HA  ))
   (( segid "   B" and resid 28   and name HB2 ))
 ASSI {  263}
   (( segid "   B" and resid 28   and name HA  ))
   (( segid "   B" and resid 32   and name HG1 ))
      6.000     4.500     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.75105E-03 ppm1      4.646 ppm2      1.451 CV     1
 ASSI {  264}
   (( segid "   B" and resid 28   and name HA  ))
   (  segid "   B" and resid 27   and name HG1%)
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.11053E-02 ppm1      4.648 ppm2      0.895 CV     1
 ASSI {  266}
   (( segid "   B" and resid 29   and name HA  ))
   (( segid "   B" and resid 32   and name HG1 ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.11610E-02 ppm1      4.481 ppm2      1.481 CV     1
 ASSI {  267}
   (( segid "   B" and resid 29   and name HA  ))
   (  segid "   B" and resid 27   and name HG1%)
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.78427E-03 ppm1      4.480 ppm2      0.882 CV     1
 OR {  267}
   (( segid "   B" and resid 29   and name HA  ))
   (  segid "   B" and resid 27   and name HG2%)
 ASSI {  268}
   (( segid "   B" and resid 29   and name HA  ))
   (( segid "   B" and resid 30   and name HA  ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.90339E-03 ppm1      4.474 ppm2      4.091 CV     1
 OR {  268}
   (( segid "   B" and resid 33   and name HA  ))
   (( segid "   B" and resid 36   and name HA  ))
 ASSI {  274}
   (( segid "   B" and resid 33   and name HA  ))
   (( segid "   B" and resid 33   and name HB2 ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.88771E-02 ppm1      4.481 ppm2      2.746 CV     1
 ASSI {  275}
   (( segid "   B" and resid 33   and name HA  ))
   (( segid "   B" and resid 33   and name HB1 ))
      6.000     4.500     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.51783E-02 ppm1      4.469 ppm2      2.809 CV     1
 ASSI {  283}
   (( segid "   B" and resid 40   and name HA  ))
   (( segid "   B" and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.43063E-02 ppm1      4.148 ppm2      2.250 CV     1
 ASSI {  284}
   (( segid "   B" and resid 41   and name HG12))
   (  segid "   B" and resid 41   and name HG2%)
      6.000     4.500     0.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.76923E-03 ppm1      1.725 ppm2      0.961 CV     1
 ASSI {  285}
   (( segid "   B" and resid 43   and name HA  ))
   (  segid "   B" and resid 43   and name HB% )
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.13842E-01 ppm1      4.173 ppm2      1.477 CV     1
 ASSI {  290}
   (  segid "   B" and resid 35   and name HD1%)
   (  segid "   B" and resid 31   and name HD% )
      6.000     4.500     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.16287E-02 ppm1      0.834 ppm2      7.223 CV     1
 ASSI {  292}
   (  segid "   B" and resid 35   and name HD2%)
   (  segid "   B" and resid 31   and name HD% )
      6.000     4.500     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.32988E-02 ppm1      0.773 ppm2      7.208 CV     1
 ASSI {  295}
   (( segid "   B" and resid 36   and name HG2 ))
   (( segid "   B" and resid 36   and name HB2 ))
      6.000     4.500     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.14689E-01 ppm1      2.545 ppm2      2.275 CV     1
 ASSI {  296}
   (( segid "   B" and resid 36   and name HG1 ))
   (( segid "   B" and resid 36   and name HB1 ))
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.11679E-01 ppm1      2.486 ppm2      2.281 CV     1
 ASSI {  300}
   (( segid "   B" and resid 39   and name HD1 ))
   (( segid "   B" and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.85511E-02 ppm1      3.193 ppm2      1.948 CV     1
 ASSI {  301}
   (( segid "   B" and resid 44   and name HB2 ))
   (( segid "   B" and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.55482E-02 ppm1      1.957 ppm2      1.552 CV     1
 OR {  301}
   (( segid "   B" and resid 44   and name HB1 ))
   (( segid "   B" and resid 44   and name HG2 ))
 ASSI {  307}
   (( segid "   B" and resid 32   and name HD1 ))
   (( segid "   B" and resid 32   and name HE1 ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.16018E-01 ppm1      1.732 ppm2      3.007 CV     1
 OR {  307}
   (( segid "   B" and resid 32   and name HD2 ))
   (( segid "   B" and resid 32   and name HE2 ))
 OR {  307}
   (( segid "   B" and resid 32   and name HD2 ))
   (( segid "   B" and resid 32   and name HE1 ))
 ASSI {  308}
   (( segid "   B" and resid 44   and name HD1 ))
   (( segid "   B" and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.13378E-01 ppm1      1.731 ppm2      1.941 CV     1
 OR {  308}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 44   and name HB2 ))
 OR {  308}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 44   and name HB1 ))
 OR {  308}
   (( segid "   B" and resid 44   and name HD1 ))
   (( segid "   B" and resid 44   and name HB2 ))
 ASSI {  309}
   (( segid "   B" and resid 44   and name HD2 ))
   (( segid "   B" and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.25910E-01 ppm1      1.729 ppm2      1.526 CV     1
 OR {  309}
   (( segid "   B" and resid 44   and name HD1 ))
   (( segid "   B" and resid 44   and name HG2 ))
 ASSI {    1}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.43451E-03 ppm1      8.884 ppm2      4.757 CV     1
 OR {    1}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 275  and name HA  ))
 ASSI {    2}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.46580E-03 ppm1      8.891 ppm2      1.579 CV     1
 ASSI {    3}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 161  and name HN  ))
      6.000     4.500     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.57299E-03 ppm1      9.489 ppm2      8.725 CV     1
 OR {    3}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 138  and name HN  ))
 ASSI {    4}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.65730E-03 ppm1      8.897 ppm2      8.064 CV     1
 ASSI {    5}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.10754E-02 ppm1      8.890 ppm2      3.864 CV     1
 ASSI {    6}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.23843E-02 ppm1      8.890 ppm2      3.431 CV     1
 ASSI {    7}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 217  and name HB2 ))
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.16621E-02 ppm1      8.890 ppm2      3.040 CV     1
 ASSI {    8}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 217  and name HB1 ))
      6.000     4.500     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.15427E-02 ppm1      8.889 ppm2      2.764 CV     1
 ASSI {    9}
   (( segid "   A" and resid 217  and name HN  ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.20719E-02 ppm1      8.890 ppm2      0.880 CV     1
 ASSI {   10}
   (( segid "   A" and resid 217  and name HN  ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.17510E-02 ppm1      8.890 ppm2      0.645 CV     1
 ASSI {   11}
   (( segid "   A" and resid 217  and name HN  ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.77137E-03 ppm1      8.890 ppm2      0.351 CV     1
 ASSI {   12}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.19525E-02 ppm1      9.483 ppm2      7.694 CV     1
 ASSI {   13}
   (( segid "   A" and resid 139  and name HN  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.41048E-03 ppm1      9.481 ppm2      6.781 CV     1
 ASSI {   14}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.14455E-02 ppm1      9.486 ppm2      5.070 CV     1
 ASSI {   15}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 139  and name HA  ))
      6.000     4.500     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.12089E-02 ppm1      9.485 ppm2      4.289 CV     1
 ASSI {   16}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 138  and name HA  ))
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      9.484 ppm2      3.725 CV     1
 ASSI {   17}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 159  and name HG1 ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.51997E-03 ppm1      9.486 ppm2      1.996 CV     1
 OR {   17}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 159  and name HB2 ))
 OR {   17}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 159  and name HG2 ))
 ASSI {   18}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.14195E-02 ppm1      9.485 ppm2      1.506 CV     1
 ASSI {   19}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.16576E-02 ppm1      9.484 ppm2      1.384 CV     1
 ASSI {   20}
   (( segid "   A" and resid 139  and name HN  ))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.14020E-02 ppm1      9.484 ppm2      0.512 CV     1
 ASSI {   21}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.24518E-02 ppm1      8.620 ppm2      8.076 CV     1
 ASSI {   22}
   (( segid "   A" and resid 133  and name HN  ))
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.68782E-03 ppm1      8.617 ppm2      7.925 CV     1
 OR {   22}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 130  and name HN  ))
 ASSI {   23}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 131  and name HN  ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.63937E-03 ppm1      8.618 ppm2      7.713 CV     1
 ASSI {   24}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 133  and name HA  ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.24640E-02 ppm1      8.621 ppm2      4.694 CV     1
 ASSI {   25}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.84194E-03 ppm1      8.620 ppm2      4.008 CV     1
 ASSI {   26}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 134  and name HD1 ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.19338E-02 ppm1      8.621 ppm2      3.684 CV     1
 ASSI {   27}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 132  and name HB2 ))
      6.000     4.500     0.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.45397E-03 ppm1      8.621 ppm2      3.512 CV     1
 ASSI {   28}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 134  and name HD2 ))
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.11841E-02 ppm1      8.623 ppm2      3.050 CV     1
 ASSI {   29}
   (( segid "   A" and resid 133  and name HN  ))
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.70308E-03 ppm1      8.615 ppm2      2.824 CV     1
 ASSI {   30}
   (( segid "   A" and resid 133  and name HN  ))
   (  segid "   A" and resid 133  and name HB% )
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.63632E-02 ppm1      8.620 ppm2      1.588 CV     1
 ASSI {   31}
   (( segid "   A" and resid 133  and name HN  ))
   (  segid "   A" and resid 131  and name HB% )
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.74962E-03 ppm1      8.623 ppm2      1.431 CV     1
 ASSI {   32}
   (( segid "   A" and resid 133  and name HN  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1      8.622 ppm2      0.739 CV     1
 ASSI {   33}
   (( segid "   A" and resid 145  and name HE1 ))
   (( segid "   A" and resid 145  and name HZ2 ))
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.28173E-02 ppm1     10.088 ppm2      7.417 CV     1
 ASSI {   34}
   (( segid "   A" and resid 145  and name HE1 ))
   (( segid "   A" and resid 145  and name HD1 ))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.55468E-02 ppm1     10.088 ppm2      7.096 CV     1
 ASSI {   35}
   (( segid "   A" and resid 145  and name HE1 ))
   (( segid "   A" and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.44901E-03 ppm1     10.089 ppm2      2.171 CV     1
 OR {   35}
   (( segid "   A" and resid 145  and name HE1 ))
   (( segid "   A" and resid 125  and name HG2 ))
 ASSI {   36}
   (( segid "   A" and resid 145  and name HE1 ))
   (( segid "   A" and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.82020E-03 ppm1     10.088 ppm2      1.630 CV     1
 OR {   36}
   (( segid "   A" and resid 145  and name HE1 ))
   (( segid "   A" and resid 143  and name HB1 ))
 ASSI {   37}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.60809E-03 ppm1      8.462 ppm2      9.220 CV     1
 ASSI {   38}
   (( segid "   A" and resid 275  and name HN  ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.48106E-03 ppm1      8.461 ppm2      6.945 CV     1
 ASSI {   39}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.13543E-02 ppm1      8.464 ppm2      2.201 CV     1
 OR {   39}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 274  and name HB1 ))
 ASSI {   40}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 275  and name HG  ))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.54133E-03 ppm1      8.466 ppm2      1.558 CV     1
 ASSI {   41}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 274  and name HN  ))
      6.000     4.500     0.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.42574E-03 ppm1      8.465 ppm2      7.891 CV     1
 ASSI {   42}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.11292E-02 ppm1      8.467 ppm2      7.098 CV     1
 ASSI {   43}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 275  and name HA  ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.26418E-02 ppm1      8.461 ppm2      4.763 CV     1
 ASSI {   44}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.53332E-02 ppm1      8.462 ppm2      4.290 CV     1
 ASSI {   45}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 274  and name HB2 ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.74543E-03 ppm1      8.458 ppm2      2.439 CV     1
 ASSI {   46}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 275  and name HB2 ))
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.13737E-02 ppm1      8.461 ppm2      2.069 CV     1
 ASSI {   47}
   (( segid "   A" and resid 275  and name HN  ))
   (( segid "   A" and resid 275  and name HB1 ))
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.12410E-02 ppm1      8.463 ppm2      1.427 CV     1
 ASSI {   48}
   (( segid "   A" and resid 275  and name HN  ))
   (  segid "   A" and resid 275  and name HD1%)
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      8.462 ppm2      1.013 CV     1
 ASSI {   49}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 234  and name HN  ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.42116E-03 ppm1      9.269 ppm2      8.001 CV     1
 ASSI {   50}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.44367E-03 ppm1      9.261 ppm2      4.812 CV     1
 ASSI {   51}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 234  and name HA  ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.53828E-02 ppm1      9.258 ppm2      4.237 CV     1
 ASSI {   52}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.75725E-03 ppm1      9.261 ppm2      4.029 CV     1
 ASSI {   53}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 230  and name HG1 ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.96669E-03 ppm1      9.259 ppm2      2.538 CV     1
 OR {   53}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 230  and name HG2 ))
 ASSI {   54}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.80494E-03 ppm1      9.260 ppm2      1.892 CV     1
 ASSI {   55}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 234  and name HB1 ))
      6.000     4.500     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.21115E-02 ppm1      9.257 ppm2      1.738 CV     1
 OR {   55}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 234  and name HB2 ))
 ASSI {   56}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 235  and name HB  ))
      6.000     4.500     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.27955E-02 ppm1      9.259 ppm2      1.578 CV     1
 ASSI {   57}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 234  and name HG2 ))
      6.000     4.500     0.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.94990E-03 ppm1      9.261 ppm2      1.475 CV     1
 ASSI {   58}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 234  and name HG1 ))
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.65272E-03 ppm1      9.265 ppm2      1.357 CV     1
 ASSI {   59}
   (( segid "   A" and resid 235  and name HN  ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.13653E-02 ppm1      9.257 ppm2      0.555 CV     1
 ASSI {   60}
   (( segid "   A" and resid 235  and name HN  ))
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.59436E-03 ppm1      9.253 ppm2      0.001 CV     1
 ASSI {   62}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 157  and name HN  ))
      6.000     4.500     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.96974E-03 ppm1      8.887 ppm2      8.419 CV     1
 ASSI {   63}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 258  and name HN  ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.48411E-03 ppm1      8.981 ppm2      8.273 CV     1
 ASSI {   64}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 237  and name HN  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.22100E-02 ppm1      8.977 ppm2      7.422 CV     1
 ASSI {   65}
   (( segid "   A" and resid 236  and name HN  ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.40171E-03 ppm1      8.980 ppm2      6.921 CV     1
 ASSI {   66}
   (( segid "   A" and resid 116  and name HN  ))
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.55545E-03 ppm1      8.362 ppm2      5.429 CV     1
 ASSI {   67}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 142  and name HA  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      8.886 ppm2      4.999 CV     1
 ASSI {   68}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.16904E-02 ppm1      8.979 ppm2      4.825 CV     1
 ASSI {   69}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.70651E-03 ppm1      8.891 ppm2      4.745 CV     1
 ASSI {   70}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.50280E-02 ppm1      8.889 ppm2      4.570 CV     1
 ASSI {   71}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.18334E-02 ppm1      8.978 ppm2      4.276 CV     1
 ASSI {   72}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.76259E-03 ppm1      8.889 ppm2      4.073 CV     1
 ASSI {   73}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.30729E-02 ppm1      8.980 ppm2      4.032 CV     1
 ASSI {   74}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.17316E-02 ppm1      8.890 ppm2      2.793 CV     1
 ASSI {   75}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.19063E-02 ppm1      8.889 ppm2      2.584 CV     1
 ASSI {   76}
   (( segid "   A" and resid 116  and name HN  ))
   (( segid "   A" and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.38759E-03 ppm1      8.363 ppm2      2.415 CV     1
 OR {   76}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 250  and name HB2 ))
 ASSI {   77}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 256  and name HB1 ))
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.50013E-03 ppm1      8.976 ppm2      2.160 CV     1
 OR {   77}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 256  and name HG2 ))
 OR {   77}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 258  and name HG1 ))
 ASSI {   78}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.38950E-03 ppm1      8.978 ppm2      1.897 CV     1
 OR {   78}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 258  and name HB2 ))
 ASSI {   79}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 236  and name HB1 ))
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.19952E-02 ppm1      8.978 ppm2      1.670 CV     1
 ASSI {   80}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 141  and name HB  ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.57681E-03 ppm1      8.883 ppm2      1.601 CV     1
 ASSI {   81}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 236  and name HB2 ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.18269E-02 ppm1      8.978 ppm2      1.464 CV     1
 ASSI {   82}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 236  and name HG2 ))
      6.000     4.500     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.16145E-02 ppm1      8.978 ppm2      1.318 CV     1
 OR {   82}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 236  and name HG1 ))
 ASSI {   83}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 141  and name HG11))
      6.000     4.500     0.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.13177E-02 ppm1      8.886 ppm2      0.794 CV     1
 OR {   83}
   (( segid "   A" and resid 142  and name HN  ))
   (  segid "   A" and resid 156  and name HB% )
 ASSI {   84}
   (( segid "   A" and resid 236  and name HN  ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.21913E-02 ppm1      8.979 ppm2      0.549 CV     1
 ASSI {   85}
   (( segid "   A" and resid 142  and name HN  ))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.24182E-02 ppm1      8.889 ppm2      0.568 CV     1
 ASSI {   86}
   (( segid "   A" and resid 236  and name HN  ))
   (( segid "   A" and resid 235  and name HG11))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.45435E-03 ppm1      8.977 ppm2      0.014 CV     1
 ASSI {   87}
   (( segid "   A" and resid 116  and name HN  ))
   (( segid "   A" and resid 156  and name HN  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.57605E-03 ppm1      8.360 ppm2      9.058 CV     1
 ASSI {   88}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.73360E-03 ppm1      8.337 ppm2      8.587 CV     1
 ASSI {   89}
   (( segid "   A" and resid 142  and name HN  ))
   (( segid "   A" and resid 141  and name HN  ))
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.38568E-03 ppm1      8.893 ppm2      8.174 CV     1
 ASSI {   90}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.41468E-03 ppm1      8.332 ppm2      7.783 CV     1
 ASSI {   91}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.40781E-03 ppm1      8.332 ppm2      7.100 CV     1
 ASSI {   92}
   (( segid "   A" and resid 241  and name HN  ))
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.56994E-03 ppm1      8.336 ppm2      6.782 CV     1
 OR {   92}
   (( segid "   A" and resid 241  and name HN  ))
   (  segid "   A" and resid 252  and name HE% )
 OR {   92}
   (( segid "   A" and resid 116  and name HN  ))
   (  segid "   A" and resid 155  and name HD% )
 ASSI {   93}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 239  and name HA  ))
      6.000     4.500     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.53752E-03 ppm1      8.332 ppm2      4.821 CV     1
 ASSI {   94}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.41506E-02 ppm1      8.336 ppm2      4.554 CV     1
 ASSI {   95}
   (( segid "   A" and resid 116  and name HN  ))
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.17747E-02 ppm1      8.364 ppm2      4.468 CV     1
 ASSI {   96}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 241  and name HA  ))
      6.000     4.500     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.31553E-02 ppm1      8.334 ppm2      4.096 CV     1
 ASSI {   97}
   (( segid "   A" and resid 116  and name HN  ))
   (( segid "   A" and resid 116  and name HB  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.91099E-03 ppm1      8.358 ppm2      1.525 CV     1
 ASSI {   98}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 240  and name HB2 ))
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.11414E-02 ppm1      8.333 ppm2      1.450 CV     1
 ASSI {   99}
   (( segid "   A" and resid 241  and name HN  ))
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.72483E-02 ppm1      8.335 ppm2      0.754 CV     1
 ASSI {  100}
   (( segid "   A" and resid 116  and name HN  ))
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.11643E-02 ppm1      8.361 ppm2      0.263 CV     1
 ASSI {  101}
   (( segid "   A" and resid 241  and name HN  ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.21024E-02 ppm1      8.335 ppm2      0.062 CV     1
 ASSI {  102}
   (( segid "   A" and resid 241  and name HN  ))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.55621E-03 ppm1      8.331 ppm2     -0.108 CV     1
 ASSI {  103}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.40667E-03 ppm1      8.330 ppm2      8.753 CV     1
 ASSI {  104}
   (( segid "   A" and resid 241  and name HN  ))
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.51844E-03 ppm1      8.333 ppm2      1.110 CV     1
 ASSI {  105}
   (( segid "   A" and resid 138  and name HN  ))
   (( segid "   A" and resid 138  and name HA  ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.62030E-03 ppm1      8.743 ppm2      3.721 CV     1
 ASSI {  106}
   (( segid "   A" and resid 138  and name HN  ))
   (( segid "   A" and resid 138  and name HG11))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.84843E-03 ppm1      8.742 ppm2      0.295 CV     1
 ASSI {  108}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.68591E-03 ppm1      7.880 ppm2      7.569 CV     1
 ASSI {  109}
   (( segid "   A" and resid 274  and name HN  ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12639E-02 ppm1      7.882 ppm2      7.139 CV     1
 ASSI {  110}
   (( segid "   A" and resid 274  and name HN  ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.77022E-03 ppm1      7.882 ppm2      6.954 CV     1
 ASSI {  111}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.10327E-02 ppm1      7.881 ppm2      4.774 CV     1
 OR {  111}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 275  and name HA  ))
 ASSI {  112}
   (( segid "   A" and resid 138  and name HN  ))
   (( segid "   A" and resid 137  and name HA  ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.33418E-02 ppm1      8.741 ppm2      4.616 CV     1
 ASSI {  113}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.97088E-02 ppm1      7.882 ppm2      4.279 CV     1
 ASSI {  114}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.10937E-02 ppm1      7.881 ppm2      3.290 CV     1
 ASSI {  115}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.54286E-03 ppm1      7.886 ppm2      2.944 CV     1
 ASSI {  116}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 274  and name HB2 ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.41697E-02 ppm1      7.883 ppm2      2.440 CV     1
 ASSI {  117}
   (( segid "   A" and resid 138  and name HN  ))
   (( segid "   A" and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.73246E-03 ppm1      8.741 ppm2      2.323 CV     1
 ASSI {  118}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 274  and name HB1 ))
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.42002E-02 ppm1      7.882 ppm2      2.189 CV     1
 ASSI {  119}
   (( segid "   A" and resid 138  and name HN  ))
   (( segid "   A" and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.73894E-03 ppm1      8.746 ppm2      2.018 CV     1
 ASSI {  120}
   (( segid "   A" and resid 138  and name HN  ))
   (( segid "   A" and resid 138  and name HG12))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.12700E-02 ppm1      8.738 ppm2      1.874 CV     1
 ASSI {  121}
   (( segid "   A" and resid 138  and name HN  ))
   (( segid "   A" and resid 138  and name HB  ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.27650E-02 ppm1      8.740 ppm2      1.618 CV     1
 ASSI {  122}
   (( segid "   A" and resid 138  and name HN  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      8.738 ppm2      0.737 CV     1
 ASSI {  123}
   (( segid "   A" and resid 138  and name HN  ))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.11948E-02 ppm1      8.736 ppm2      0.510 CV     1
 ASSI {  124}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 158  and name HN  ))
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.12379E-02 ppm1      8.615 ppm2      8.893 CV     1
 ASSI {  126}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.11231E-02 ppm1      8.617 ppm2      7.690 CV     1
 ASSI {  127}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.11139E-02 ppm1      8.616 ppm2      4.985 CV     1
 ASSI {  128}
   (( segid "   A" and resid 240  and name HN  ))
   (( segid "   A" and resid 239  and name HA  ))
      6.000     4.500     0.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.74390E-02 ppm1      8.580 ppm2      4.837 CV     1
 ASSI {  129}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.52912E-02 ppm1      8.616 ppm2      4.063 CV     1
 ASSI {  130}
   (( segid "   A" and resid 240  and name HN  ))
   (( segid "   A" and resid 239  and name HB  ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.94533E-03 ppm1      8.578 ppm2      3.923 CV     1
 ASSI {  131}
   (( segid "   A" and resid 240  and name HN  ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.46732E-03 ppm1      8.585 ppm2      3.684 CV     1
 ASSI {  132}
   (( segid "   A" and resid 240  and name HN  ))
   (( segid "   A" and resid 222  and name HB1 ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.67828E-03 ppm1      8.578 ppm2      2.594 CV     1
 ASSI {  133}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.30340E-02 ppm1      8.616 ppm2      2.009 CV     1
 ASSI {  134}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 159  and name HB1 ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.15256E-02 ppm1      8.616 ppm2      1.660 CV     1
 ASSI {  135}
   (( segid "   A" and resid 240  and name HN  ))
   (( segid "   A" and resid 240  and name HB2 ))
      6.000     4.500     0.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.17793E-02 ppm1      8.584 ppm2      1.445 CV     1
 ASSI {  136}
   (( segid "   A" and resid 240  and name HN  ))
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.36623E-02 ppm1      8.581 ppm2      1.130 CV     1
 ASSI {  137}
   (( segid "   A" and resid 240  and name HN  ))
   (( segid "   A" and resid 240  and name HB1 ))
      6.000     4.500     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.13024E-02 ppm1      8.582 ppm2      0.748 CV     1
 ASSI {  138}
   (( segid "   A" and resid 159  and name HN  ))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.12379E-02 ppm1      8.618 ppm2      0.527 CV     1
 ASSI {  139}
   (( segid "   A" and resid 159  and name HN  ))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.27784E-02 ppm1      8.616 ppm2      0.099 CV     1
 ASSI {  140}
   (( segid "   A" and resid 240  and name HN  ))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.13222E-02 ppm1      8.579 ppm2     -0.112 CV     1
 ASSI {  141}
   (( segid "   A" and resid 214  and name HN  ))
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12917E-02 ppm1      8.903 ppm2      7.740 CV     1
 ASSI {  142}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 181  and name HN  ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.49250E-03 ppm1      8.512 ppm2      7.367 CV     1
 ASSI {  143}
   (( segid "   A" and resid 214  and name HN  ))
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.13848E-02 ppm1      8.904 ppm2      5.359 CV     1
 ASSI {  144}
   (( segid "   A" and resid 214  and name HN  ))
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.72826E-02 ppm1      8.903 ppm2      4.567 CV     1
 ASSI {  145}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 177  and name HA  ))
      6.000     4.500     0.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.55125E-02 ppm1      8.515 ppm2      4.564 CV     1
 ASSI {  146}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 177  and name HB1 ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.10357E-02 ppm1      8.514 ppm2      1.896 CV     1
 ASSI {  147}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 177  and name HB2 ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      8.514 ppm2      1.767 CV     1
 ASSI {  148}
   (( segid "   A" and resid 214  and name HN  ))
   (( segid "   A" and resid 281  and name HB1 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.79426E-03 ppm1      8.905 ppm2      1.731 CV     1
 OR {  148}
   (( segid "   A" and resid 214  and name HN  ))
   (( segid "   A" and resid 281  and name HB2 ))
 ASSI {  149}
   (( segid "   A" and resid 214  and name HN  ))
   (  segid "   A" and resid 214  and name HB% )
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.39484E-02 ppm1      8.903 ppm2      1.233 CV     1
 ASSI {  150}
   (( segid "   A" and resid 214  and name HN  ))
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.25590E-02 ppm1      8.901 ppm2      0.961 CV     1
 OR {  150}
   (( segid "   A" and resid 214  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
 OR {  150}
   (( segid "   A" and resid 214  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
 OR {  150}
   (( segid "   A" and resid 214  and name HN  ))
   (( segid "   A" and resid 281  and name HG2 ))
 ASSI {  151}
   (( segid "   A" and resid 214  and name HN  ))
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.31206E-02 ppm1      8.903 ppm2      0.351 CV     1
 OR {  151}
   (( segid "   A" and resid 214  and name HN  ))
   (  segid "   A" and resid 213  and name HG1%)
 ASSI {  152}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 183  and name HN  ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.78434E-03 ppm1      8.513 ppm2      8.335 CV     1
 ASSI {  153}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.26742E-02 ppm1      8.882 ppm2      8.303 CV     1
 ASSI {  154}
   (( segid "   A" and resid 214  and name HN  ))
   (( segid "   A" and resid 213  and name HN  ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.11796E-02 ppm1      8.884 ppm2      7.639 CV     1
 OR {  154}
   (( segid "   A" and resid 230  and name HN  ))
   (  segid "   A" and resid 229  and name HD% )
 ASSI {  155}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 231  and name HN  ))
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.23812E-02 ppm1      8.882 ppm2      7.441 CV     1
 ASSI {  156}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 228  and name HN  ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.42955E-03 ppm1      8.880 ppm2      7.246 CV     1
 ASSI {  157}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.26666E-02 ppm1      8.883 ppm2      5.023 CV     1
 ASSI {  158}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      8.514 ppm2      4.813 CV     1
 ASSI {  159}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.18224E-02 ppm1      8.883 ppm2      4.170 CV     1
 OR {  159}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 227  and name HA  ))
 ASSI {  160}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 229  and name HB1 ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.59436E-03 ppm1      8.884 ppm2      3.453 CV     1
 ASSI {  161}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.10312E-02 ppm1      8.884 ppm2      2.781 CV     1
 ASSI {  162}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 230  and name HG2 ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.21054E-02 ppm1      8.882 ppm2      2.537 CV     1
 OR {  162}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 230  and name HG1 ))
 ASSI {  163}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 230  and name HB1 ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.39789E-02 ppm1      8.883 ppm2      2.270 CV     1
 ASSI {  164}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 177  and name HG2 ))
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.95143E-03 ppm1      8.517 ppm2      2.262 CV     1
 OR {  164}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 177  and name HG1 ))
 ASSI {  165}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 230  and name HB2 ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.37405E-02 ppm1      8.882 ppm2      2.054 CV     1
 ASSI {  166}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 178  and name HB1 ))
      6.000     4.500     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.11872E-02 ppm1      8.516 ppm2      1.542 CV     1
 ASSI {  167}
   (( segid "   A" and resid 178  and name HN  ))
   (( segid "   A" and resid 178  and name HB2 ))
      6.000     4.500     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.16534E-02 ppm1      8.516 ppm2      1.396 CV     1
 ASSI {  168}
   (( segid "   A" and resid 178  and name HN  ))
   (  segid "   A" and resid 183  and name HG2%)
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.13631E-02 ppm1      8.514 ppm2      0.913 CV     1
 ASSI {  169}
   (( segid "   A" and resid 178  and name HN  ))
   (  segid "   A" and resid 178  and name HD1%)
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.93922E-03 ppm1      8.511 ppm2      0.810 CV     1
 OR {  169}
   (( segid "   A" and resid 178  and name HN  ))
   (  segid "   A" and resid 178  and name HD2%)
 ASSI {  170}
   (( segid "   A" and resid 230  and name HN  ))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.25163E-02 ppm1      8.883 ppm2      0.647 CV     1
 ASSI {  171}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 219  and name HN  ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.70651E-03 ppm1      8.049 ppm2     11.137 CV     1
 ASSI {  172}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 220  and name HN  ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.49479E-03 ppm1      8.043 ppm2      7.860 CV     1
 ASSI {  173}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 217  and name HB2 ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.70842E-03 ppm1      8.047 ppm2      3.038 CV     1
 ASSI {  175}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.63441E-02 ppm1      8.047 ppm2      3.863 CV     1
 ASSI {  176}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 218  and name HA  ))
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.23172E-02 ppm1      8.047 ppm2      3.610 CV     1
 ASSI {  177}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 217  and name HB1 ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.56155E-03 ppm1      8.046 ppm2      2.770 CV     1
 ASSI {  178}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 218  and name HG1 ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.95143E-03 ppm1      8.050 ppm2      2.186 CV     1
 ASSI {  179}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 218  and name HG2 ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.14409E-02 ppm1      8.045 ppm2      2.085 CV     1
 ASSI {  180}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 218  and name HB2 ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.35150E-02 ppm1      8.044 ppm2      1.783 CV     1
 ASSI {  181}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 255  and name HB  ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.53828E-03 ppm1      8.809 ppm2      1.205 CV     1
 ASSI {  182}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.45206E-03 ppm1      8.912 ppm2      9.463 CV     1
 ASSI {  183}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 258  and name HN  ))
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.40628E-03 ppm1      8.800 ppm2      8.264 CV     1
 ASSI {  184}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 237  and name HN  ))
      6.000     4.500     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.13413E-02 ppm1      8.808 ppm2      7.421 CV     1
 ASSI {  185}
   (( segid "   A" and resid 146  and name HN  ))
   (( segid "   A" and resid 145  and name HE3 ))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.64815E-03 ppm1      8.240 ppm2      7.300 CV     1
 ASSI {  186}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.89039E-03 ppm1      8.809 ppm2      5.710 CV     1
 ASSI {  187}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.75954E-03 ppm1      8.916 ppm2      5.333 CV     1
 ASSI {  188}
   (( segid "   A" and resid 146  and name HN  ))
   (( segid "   A" and resid 152  and name HA  ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.10205E-02 ppm1      8.244 ppm2      4.967 CV     1
 ASSI {  189}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.23324E-02 ppm1      8.802 ppm2      4.737 CV     1
 ASSI {  191}
   (( segid "   A" and resid 146  and name HN  ))
   (( segid "   A" and resid 145  and name HA  ))
      6.000     4.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.34849E-02 ppm1      8.241 ppm2      4.582 CV     1
 ASSI {  192}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 255  and name HA  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.43528E-02 ppm1      8.808 ppm2      4.522 CV     1
 ASSI {  193}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 112  and name HA  ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.45969E-03 ppm1      8.918 ppm2      4.120 CV     1
 ASSI {  194}
   (( segid "   A" and resid 146  and name HN  ))
   (( segid "   A" and resid 146  and name HB1 ))
      6.000     4.500     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.17270E-02 ppm1      8.240 ppm2      3.052 CV     1
 ASSI {  195}
   (( segid "   A" and resid 146  and name HN  ))
   (( segid "   A" and resid 146  and name HB2 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.14497E-02 ppm1      8.241 ppm2      2.283 CV     1
 ASSI {  196}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 256  and name HB1 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.31900E-02 ppm1      8.806 ppm2      2.152 CV     1
 ASSI {  197}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 256  and name HB2 ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.22435E-02 ppm1      8.808 ppm2      1.739 CV     1
 ASSI {  198}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 236  and name HB2 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.49021E-03 ppm1      8.811 ppm2      1.455 CV     1
 OR {  198}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 210  and name HG1 ))
 OR {  198}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 236  and name HB2 ))
 OR {  198}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 210  and name HG1 ))
 ASSI {  199}
   (( segid "   A" and resid 160  and name HN  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.73665E-03 ppm1      8.916 ppm2      1.418 CV     1
 ASSI {  200}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 255  and name HG11))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.61419E-03 ppm1      8.809 ppm2      1.019 CV     1
 OR {  200}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 211  and name HG11))
 ASSI {  201}
   (( segid "   A" and resid 256  and name HN  ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.21115E-02 ppm1      8.809 ppm2      0.550 CV     1
 OR {  201}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 255  and name HG12))
 ASSI {  202}
   (( segid "   A" and resid 256  and name HN  ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.26052E-02 ppm1      8.808 ppm2      0.197 CV     1
 ASSI {  203}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.47343E-03 ppm1      8.804 ppm2      9.507 CV     1
 OR {  203}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 211  and name HN  ))
 ASSI {  204}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 159  and name HN  ))
      6.000     4.500     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.48106E-03 ppm1      8.913 ppm2      8.616 CV     1
 ASSI {  205}
   (( segid "   A" and resid 257  and name HN  ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.12532E-02 ppm1      8.808 ppm2      6.924 CV     1
 ASSI {  206}
   (( segid "   A" and resid 160  and name HN  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.17316E-02 ppm1      8.915 ppm2      6.779 CV     1
 ASSI {  207}
   (( segid "   A" and resid 257  and name HN  ))
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.49708E-03 ppm1      8.809 ppm2      6.614 CV     1
 OR {  207}
   (( segid "   A" and resid 256  and name HN  ))
   (  segid "   A" and resid 257  and name HE% )
 OR {  207}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 209  and name HD22))
 ASSI {  208}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.34155E-02 ppm1      8.806 ppm2      5.001 CV     1
 ASSI {  209}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.29863E-02 ppm1      8.916 ppm2      4.989 CV     1
 ASSI {  210}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 112  and name HB1 ))
      6.000     4.500     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.88391E-03 ppm1      8.915 ppm2      3.548 CV     1
 ASSI {  211}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 257  and name HB2 ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.13760E-02 ppm1      8.805 ppm2      3.540 CV     1
 ASSI {  212}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 160  and name HB1 ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.11872E-02 ppm1      8.920 ppm2      3.079 CV     1
 ASSI {  213}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 160  and name HB2 ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.11948E-02 ppm1      8.913 ppm2      2.728 CV     1
 ASSI {  214}
   (( segid "   A" and resid 257  and name HN  ))
   (( segid "   A" and resid 257  and name HB1 ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.13802E-02 ppm1      8.806 ppm2      2.717 CV     1
 ASSI {  215}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.17251E-02 ppm1      8.917 ppm2      2.003 CV     1
 ASSI {  216}
   (( segid "   A" and resid 160  and name HN  ))
   (( segid "   A" and resid 159  and name HB1 ))
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.87437E-03 ppm1      8.911 ppm2      1.671 CV     1
 ASSI {  217}
   (( segid "   A" and resid 160  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.41391E-03 ppm1      8.918 ppm2      0.615 CV     1
 ASSI {  218}
   (( segid "   A" and resid 115  and name HN  ))
   (( segid "   A" and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.36539E-02 ppm1      8.790 ppm2      4.695 CV     1
 ASSI {  219}
   (( segid "   A" and resid 115  and name HN  ))
   (( segid "   A" and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.20841E-02 ppm1      8.790 ppm2      2.370 CV     1
 ASSI {  220}
   (( segid "   A" and resid 115  and name HN  ))
   (  segid "   A" and resid 114  and name HG2%)
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.18910E-02 ppm1      8.790 ppm2      0.892 CV     1
 OR {  220}
   (( segid "   A" and resid 115  and name HN  ))
   (  segid "   A" and resid 114  and name HG1%)
 ASSI {  221}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      9.140 ppm2      8.996 CV     1
 ASSI {  222}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.80608E-03 ppm1      9.137 ppm2      7.678 CV     1
 ASSI {  225}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.29603E-02 ppm1      9.139 ppm2      5.051 CV     1
 ASSI {  226}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 212  and name HA  ))
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.82668E-03 ppm1      9.141 ppm2      4.706 CV     1
 ASSI {  227}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 284  and name HA  ))
      6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.91023E-03 ppm1      9.137 ppm2      4.386 CV     1
 ASSI {  228}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 212  and name HB2 ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.10586E-02 ppm1      9.139 ppm2      2.480 CV     1
 ASSI {  229}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 212  and name HB1 ))
      6.000     4.500     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.16621E-02 ppm1      9.137 ppm2      2.290 CV     1
 ASSI {  230}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 211  and name HB  ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.27479E-02 ppm1      9.139 ppm2      1.963 CV     1
 ASSI {  231}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 211  and name HG12))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.72254E-03 ppm1      9.140 ppm2      1.223 CV     1
 ASSI {  232}
   (( segid "   A" and resid 212  and name HN  ))
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.31118E-02 ppm1      9.138 ppm2      0.949 CV     1
 OR {  232}
   (( segid "   A" and resid 212  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
 OR {  232}
   (( segid "   A" and resid 212  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
 ASSI {  233}
   (( segid "   A" and resid 212  and name HN  ))
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      9.139 ppm2      0.709 CV     1
 ASSI {  234}
   (( segid "   A" and resid 212  and name HN  ))
   (  segid "   A" and resid 212  and name HD% )
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.47114E-03 ppm1      9.139 ppm2      6.416 CV     1
 ASSI {  235}
   (( segid "   A" and resid 212  and name HN  ))
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.47800E-03 ppm1      9.134 ppm2      1.500 CV     1
 OR {  235}
   (( segid "   A" and resid 212  and name HN  ))
   (( segid "   A" and resid 284  and name HG1 ))
 ASSI {  236}
   (( segid "   A" and resid 158  and name HN  ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.12105E-02 ppm1      8.873 ppm2      9.056 CV     1
 ASSI {  239}
   (( segid "   A" and resid 158  and name HN  ))
   (  segid "   A" and resid 157  and name HD% )
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.52378E-03 ppm1      8.870 ppm2      7.161 CV     1
 ASSI {  240}
   (( segid "   A" and resid 158  and name HN  ))
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.47304E-02 ppm1      8.873 ppm2      5.427 CV     1
 ASSI {  241}
   (( segid "   A" and resid 158  and name HN  ))
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.56918E-03 ppm1      8.875 ppm2      4.452 CV     1
 ASSI {  242}
   (( segid "   A" and resid 158  and name HN  ))
   (( segid "   A" and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.79426E-03 ppm1      8.872 ppm2      4.058 CV     1
 ASSI {  243}
   (( segid "   A" and resid 158  and name HN  ))
   (( segid "   A" and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.54972E-03 ppm1      8.876 ppm2      2.894 CV     1
 ASSI {  244}
   (( segid "   A" and resid 158  and name HN  ))
   (( segid "   A" and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.94265E-03 ppm1      8.874 ppm2      2.712 CV     1
 ASSI {  245}
   (( segid "   A" and resid 158  and name HN  ))
   (( segid "   A" and resid 158  and name HB  ))
      6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.25777E-02 ppm1      8.874 ppm2      1.407 CV     1
 ASSI {  246}
   (( segid "   A" and resid 158  and name HN  ))
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.15626E-02 ppm1      8.873 ppm2      0.859 CV     1
 ASSI {  247}
   (( segid "   A" and resid 158  and name HN  ))
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.71491E-03 ppm1      8.875 ppm2      0.262 CV     1
 ASSI {  248}
   (( segid "   A" and resid 158  and name HN  ))
   (  segid "   A" and resid 158  and name HG2%)
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.19525E-02 ppm1      8.872 ppm2      0.011 CV     1
 ASSI {  249}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.44787E-03 ppm1      7.605 ppm2      9.137 CV     1
 ASSI {  250}
   (( segid "   A" and resid 143  and name HN  ))
   (( segid "   A" and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.38454E-03 ppm1      8.569 ppm2      8.903 CV     1
 ASSI {  251}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.74848E-03 ppm1      7.616 ppm2      8.910 CV     1
 ASSI {  252}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.18636E-02 ppm1      7.612 ppm2      8.752 CV     1
 ASSI {  253}
   (( segid "   A" and resid 213  and name HN  ))
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.57376E-03 ppm1      7.608 ppm2      7.242 CV     1
 ASSI {  254}
   (( segid "   A" and resid 213  and name HN  ))
   (  segid "   A" and resid 212  and name HD% )
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.45511E-03 ppm1      7.612 ppm2      6.416 CV     1
 ASSI {  256}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.90794E-03 ppm1      7.613 ppm2      5.707 CV     1
 ASSI {  257}
   (( segid "   A" and resid 143  and name HN  ))
   (( segid "   A" and resid 142  and name HA  ))
      6.000     4.500     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.35803E-02 ppm1      8.571 ppm2      4.998 CV     1
 ASSI {  258}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 212  and name HA  ))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.56880E-02 ppm1      7.611 ppm2      4.686 CV     1
 ASSI {  259}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 213  and name HA  ))
      6.000     4.500     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.16881E-02 ppm1      7.612 ppm2      4.584 CV     1
 ASSI {  260}
   (( segid "   A" and resid 143  and name HN  ))
   (( segid "   A" and resid 143  and name HA  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.66264E-03 ppm1      8.574 ppm2      4.381 CV     1
 ASSI {  261}
   (( segid "   A" and resid 143  and name HN  ))
   (( segid "   A" and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.41010E-03 ppm1      8.565 ppm2      2.601 CV     1
 ASSI {  262}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 212  and name HB2 ))
      6.000     4.500     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.76717E-03 ppm1      7.612 ppm2      2.484 CV     1
 ASSI {  263}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 212  and name HB1 ))
      6.000     4.500     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.62945E-03 ppm1      7.604 ppm2      2.279 CV     1
 ASSI {  264}
   (( segid "   A" and resid 143  and name HN  ))
   (( segid "   A" and resid 143  and name HG2 ))
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.69125E-03 ppm1      8.569 ppm2      2.224 CV     1
 ASSI {  265}
   (( segid "   A" and resid 143  and name HN  ))
   (( segid "   A" and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.99416E-03 ppm1      8.572 ppm2      1.624 CV     1
 OR {  265}
   (( segid "   A" and resid 143  and name HN  ))
   (( segid "   A" and resid 143  and name HB2 ))
 ASSI {  266}
   (( segid "   A" and resid 213  and name HN  ))
   (( segid "   A" and resid 213  and name HB  ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.26418E-02 ppm1      7.612 ppm2      1.202 CV     1
 ASSI {  267}
   (( segid "   A" and resid 213  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.91099E-03 ppm1      7.612 ppm2      0.968 CV     1
 OR {  267}
   (( segid "   A" and resid 213  and name HN  ))
   (  segid "   A" and resid 168  and name HD2%)
 OR {  267}
   (( segid "   A" and resid 213  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI {  268}
   (( segid "   A" and resid 213  and name HN  ))
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.30988E-02 ppm1      7.611 ppm2      0.350 CV     1
 ASSI {  269}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.81905E-03 ppm1      8.395 ppm2      8.580 CV     1
 ASSI {  270}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.49937E-03 ppm1      8.397 ppm2      7.894 CV     1
 ASSI {  271}
   (( segid "   A" and resid 280  and name HN  ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.38492E-03 ppm1      9.216 ppm2      6.956 CV     1
 OR {  271}
   (( segid "   A" and resid 272  and name HN  ))
   (  segid "   A" and resid 279  and name HD% )
 ASSI {  272}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.15061E-02 ppm1      8.399 ppm2      5.348 CV     1
 ASSI {  273}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 243  and name HA  ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.19277E-02 ppm1      8.400 ppm2      4.893 CV     1
 ASSI {  274}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.22588E-02 ppm1      9.216 ppm2      4.785 CV     1
 ASSI {  275}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 242  and name HA  ))
      6.000     4.500     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.36798E-02 ppm1      8.399 ppm2      4.691 CV     1
 ASSI {  276}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 248  and name HA  ))
      6.000     4.500     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.52454E-03 ppm1      8.397 ppm2      4.395 CV     1
 OR {  276}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 250  and name HA  ))
 ASSI {  277}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.62869E-03 ppm1      9.218 ppm2      4.296 CV     1
 OR {  277}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 273  and name HA  ))
 ASSI {  278}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 243  and name HB1 ))
      6.000     4.500     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.29428E-02 ppm1      8.398 ppm2      3.132 CV     1
 ASSI {  279}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 250  and name HE2 ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.90260E-03 ppm1      8.399 ppm2      2.943 CV     1
 OR {  279}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 242  and name HD1 ))
 ASSI {  280}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 243  and name HB2 ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.30122E-02 ppm1      8.398 ppm2      2.380 CV     1
 ASSI {  281}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 242  and name HB1 ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.18224E-02 ppm1      8.398 ppm2      1.589 CV     1
 ASSI {  282}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 280  and name HB1 ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.68248E-03 ppm1      9.218 ppm2      1.342 CV     1
 ASSI {  283}
   (( segid "   A" and resid 243  and name HN  ))
   (( segid "   A" and resid 242  and name HB2 ))
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.31206E-02 ppm1      8.399 ppm2      1.331 CV     1
 ASSI {  284}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.65349E-03 ppm1      9.208 ppm2      8.658 CV     1
 OR {  284}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 282  and name HN  ))
 ASSI {  285}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 273  and name HN  ))
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.13222E-02 ppm1      9.209 ppm2      7.568 CV     1
 ASSI {  286}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.46045E-03 ppm1      9.207 ppm2      5.244 CV     1
 OR {  286}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 281  and name HA  ))
 ASSI {  287}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 280  and name HA  ))
      6.000     4.500     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.36798E-02 ppm1      9.208 ppm2      4.436 CV     1
 OR {  287}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 271  and name HA  ))
 ASSI {  288}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.26574E-02 ppm1      9.207 ppm2      3.865 CV     1
 ASSI {  289}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 271  and name HB2 ))
      6.000     4.500     0.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.77137E-03 ppm1      9.210 ppm2      2.904 CV     1
 ASSI {  290}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 279  and name HB2 ))
      6.000     4.500     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.73246E-03 ppm1      9.211 ppm2      2.720 CV     1
 ASSI {  291}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 279  and name HB1 ))
      6.000     4.500     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.73246E-03 ppm1      9.211 ppm2      2.513 CV     1
 ASSI {  292}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 280  and name HB2 ))
      6.000     4.500     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.27002E-02 ppm1      9.220 ppm2      2.227 CV     1
 ASSI {  293}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 272  and name HB2 ))
      6.000     4.500     0.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.68591E-03 ppm1      9.211 ppm2      2.021 CV     1
 ASSI {  294}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 281  and name HB2 ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.55239E-03 ppm1      9.204 ppm2      1.740 CV     1
 OR {  294}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 282  and name HB  ))
 OR {  294}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 281  and name HB1 ))
 OR {  294}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 282  and name HB  ))
 ASSI {  295}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 272  and name HB1 ))
      6.000     4.500     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.13867E-02 ppm1      9.207 ppm2      1.503 CV     1
 ASSI {  296}
   (( segid "   A" and resid 272  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.14302E-02 ppm1      9.208 ppm2      0.973 CV     1
 OR {  296}
   (( segid "   A" and resid 272  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
 OR {  296}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 281  and name HG2 ))
 OR {  296}
   (( segid "   A" and resid 280  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
 OR {  296}
   (( segid "   A" and resid 280  and name HN  ))
   (  segid "   A" and resid 228  and name HG1%)
 ASSI {  297}
   (( segid "   A" and resid 280  and name HN  ))
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.11078E-02 ppm1      9.213 ppm2      0.832 CV     1
 ASSI {  298}
   (( segid "   A" and resid 272  and name HN  ))
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.18441E-02 ppm1      9.209 ppm2      0.676 CV     1
 ASSI {  299}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.16232E-02 ppm1      7.946 ppm2      8.620 CV     1
 ASSI {  300}
   (( segid "   A" and resid 177  and name HN  ))
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.44558E-03 ppm1      8.234 ppm2      8.522 CV     1
 ASSI {  301}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 227  and name HN  ))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.20383E-02 ppm1      8.343 ppm2      7.894 CV     1
 ASSI {  302}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 224  and name HN  ))
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.61343E-03 ppm1      8.344 ppm2      7.612 CV     1
 ASSI {  303}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.52226E-03 ppm1      7.946 ppm2      7.627 CV     1
 ASSI {  304}
   (( segid "   A" and resid 177  and name HN  ))
   (( segid "   A" and resid 176  and name HN  ))
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.84194E-03 ppm1      8.236 ppm2      7.358 CV     1
 ASSI {  305}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.18700E-02 ppm1      8.344 ppm2      7.305 CV     1
 ASSI {  306}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.25716E-02 ppm1      7.944 ppm2      7.124 CV     1
 ASSI {  307}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 212  and name HA  ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.92091E-03 ppm1      8.743 ppm2      4.716 CV     1
 ASSI {  308}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 223  and name HA  ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.18311E-02 ppm1      8.344 ppm2      4.338 CV     1
 ASSI {  309}
   (( segid "   A" and resid 177  and name HN  ))
   (( segid "   A" and resid 176  and name HA  ))
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.66837E-02 ppm1      8.233 ppm2      4.025 CV     1
 ASSI {  310}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.18052E-02 ppm1      7.944 ppm2      3.850 CV     1
 ASSI {  311}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.63174E-03 ppm1      8.339 ppm2      3.804 CV     1
 ASSI {  312}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.22466E-02 ppm1      8.343 ppm2      3.645 CV     1
 ASSI {  313}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.16923E-02 ppm1      7.944 ppm2      3.517 CV     1
 ASSI {  314}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HE2 ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.50013E-03 ppm1      8.342 ppm2      2.798 CV     1
 OR {  314}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HE1 ))
 ASSI {  315}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 196  and name HB2 ))
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.48258E-03 ppm1      7.946 ppm2      2.348 CV     1
 OR {  315}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 195  and name HG2 ))
 ASSI {  316}
   (( segid "   A" and resid 177  and name HN  ))
   (( segid "   A" and resid 177  and name HG2 ))
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.16534E-02 ppm1      8.233 ppm2      2.266 CV     1
 ASSI {  317}
   (( segid "   A" and resid 177  and name HN  ))
   (( segid "   A" and resid 176  and name HB  ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.22466E-02 ppm1      8.233 ppm2      2.046 CV     1
 ASSI {  318}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HB1 ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.49326E-02 ppm1      8.344 ppm2      1.951 CV     1
 OR {  318}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HB2 ))
 ASSI {  319}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 198  and name HB  ))
      6.000     4.500     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.42841E-02 ppm1      7.944 ppm2      1.968 CV     1
 ASSI {  320}
   (( segid "   A" and resid 177  and name HN  ))
   (( segid "   A" and resid 177  and name HB1 ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.32594E-02 ppm1      8.233 ppm2      1.893 CV     1
 ASSI {  321}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 225  and name HB  ))
      6.000     4.500     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.24766E-02 ppm1      8.342 ppm2      1.819 CV     1
 ASSI {  322}
   (( segid "   A" and resid 177  and name HN  ))
   (( segid "   A" and resid 177  and name HB2 ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.24610E-02 ppm1      8.233 ppm2      1.763 CV     1
 ASSI {  323}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HD2 ))
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.12425E-02 ppm1      8.343 ppm2      1.613 CV     1
 OR {  323}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HD1 ))
 ASSI {  324}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 198  and name HG12))
      6.000     4.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.18788E-02 ppm1      7.945 ppm2      1.599 CV     1
 ASSI {  325}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.56689E-03 ppm1      8.346 ppm2      1.508 CV     1
 ASSI {  326}
   (( segid "   A" and resid 198  and name HN  ))
   (  segid "   A" and resid 194  and name HB% )
      6.000     4.500     0.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.17140E-02 ppm1      7.945 ppm2      1.431 CV     1
 OR {  326}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 197  and name HG12))
 OR {  326}
   (( segid "   A" and resid 198  and name HN  ))
   (  segid "   A" and resid 107  and name HB% )
 ASSI {  327}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HG2 ))
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.63403E-03 ppm1      8.343 ppm2      1.313 CV     1
 ASSI {  328}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 198  and name HG11))
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.17140E-02 ppm1      7.943 ppm2      1.195 CV     1
 ASSI {  329}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 226  and name HG1 ))
      6.000     4.500     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.75382E-03 ppm1      8.345 ppm2      1.168 CV     1
 ASSI {  330}
   (( segid "   A" and resid 226  and name HN  ))
   (( segid "   A" and resid 225  and name HG11))
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.60504E-03 ppm1      8.341 ppm2      1.000 CV     1
 ASSI {  331}
   (( segid "   A" and resid 177  and name HN  ))
   (  segid "   A" and resid 176  and name HG1%)
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.21821E-02 ppm1      8.234 ppm2      0.994 CV     1
 ASSI {  332}
   (( segid "   A" and resid 177  and name HN  ))
   (  segid "   A" and resid 176  and name HG2%)
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.34414E-02 ppm1      8.233 ppm2      0.866 CV     1
 ASSI {  333}
   (( segid "   A" and resid 198  and name HN  ))
   (  segid "   A" and resid 198  and name HG2%)
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.20596E-02 ppm1      7.946 ppm2      0.881 CV     1
 ASSI {  334}
   (( segid "   A" and resid 198  and name HN  ))
   (  segid "   A" and resid 198  and name HD1%)
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.18288E-02 ppm1      7.945 ppm2      0.713 CV     1
 ASSI {  335}
   (( segid "   A" and resid 226  and name HN  ))
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.21607E-02 ppm1      8.343 ppm2      0.597 CV     1
 ASSI {  336}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 211  and name HN  ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.82020E-03 ppm1      8.739 ppm2      9.514 CV     1
 ASSI {  337}
   (( segid "   A" and resid 255  and name HN  ))
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.91671E-03 ppm1      8.744 ppm2      7.229 CV     1
 ASSI {  338}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.40094E-02 ppm1      8.742 ppm2      5.708 CV     1
 ASSI {  339}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 255  and name HA  ))
      6.000     4.500     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.70194E-03 ppm1      8.741 ppm2      4.534 CV     1
 ASSI {  340}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 254  and name HB2 ))
      6.000     4.500     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.18529E-02 ppm1      8.742 ppm2      2.721 CV     1
 ASSI {  341}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 255  and name HB  ))
      6.000     4.500     0.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.21485E-02 ppm1      8.740 ppm2      1.211 CV     1
 ASSI {  342}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 255  and name HG11))
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.15214E-02 ppm1      8.741 ppm2      1.027 CV     1
 ASSI {  343}
   (( segid "   A" and resid 255  and name HN  ))
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.62564E-03 ppm1      8.740 ppm2      0.705 CV     1
 ASSI {  344}
   (( segid "   A" and resid 266  and name HN  ))
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.64891E-03 ppm1      7.899 ppm2      0.706 CV     1
 ASSI {  345}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 255  and name HG12))
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.61419E-03 ppm1      8.738 ppm2      0.553 CV     1
 ASSI {  346}
   (( segid "   A" and resid 255  and name HN  ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.58139E-03 ppm1      8.740 ppm2      0.193 CV     1
 ASSI {  347}
   (( segid "   A" and resid 255  and name HN  ))
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.55926E-03 ppm1      8.745 ppm2     -0.154 CV     1
 ASSI {  349}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.27437E-02 ppm1      7.892 ppm2      8.294 CV     1
 ASSI {  350}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.33937E-02 ppm1      7.891 ppm2      7.682 CV     1
 ASSI {  351}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 233  and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.10094E-02 ppm1      7.442 ppm2      7.572 CV     1
 ASSI {  352}
   (( segid "   A" and resid 266  and name HN  ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.15385E-02 ppm1      7.892 ppm2      7.337 CV     1
 OR {  352}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 269  and name HN  ))
 ASSI {  353}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 232  and name HN  ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.20841E-02 ppm1      7.439 ppm2      7.062 CV     1
 ASSI {  354}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.81676E-03 ppm1      7.436 ppm2      5.014 CV     1
 ASSI {  355}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 265  and name HA  ))
      6.000     4.500     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.16186E-02 ppm1      7.892 ppm2      4.223 CV     1
 ASSI {  356}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 227  and name HA  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11536E-02 ppm1      7.440 ppm2      4.162 CV     1
 OR {  356}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 229  and name HA  ))
 ASSI {  357}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 262  and name HA  ))
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.61801E-03 ppm1      7.887 ppm2      3.974 CV     1
 ASSI {  358}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 231  and name HA  ))
      6.000     4.500     0.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.35368E-02 ppm1      7.440 ppm2      3.848 CV     1
 ASSI {  359}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 263  and name HA  ))
      6.000     4.500     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.82439E-03 ppm1      7.892 ppm2      3.657 CV     1
 ASSI {  360}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.93388E-03 ppm1      7.892 ppm2      3.428 CV     1
 OR {  360}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 232  and name HB1 ))
 ASSI {  361}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 265  and name HB2 ))
      6.000     4.500     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.35410E-02 ppm1      7.891 ppm2      2.709 CV     1
 ASSI {  362}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 232  and name HB2 ))
      6.000     4.500     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.53599E-03 ppm1      7.437 ppm2      2.687 CV     1
 ASSI {  363}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 230  and name HG2 ))
      6.000     4.500     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.47190E-03 ppm1      7.445 ppm2      2.523 CV     1
 OR {  363}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 230  and name HG1 ))
 ASSI {  364}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 266  and name HA  ))
      6.000     4.500     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.30511E-02 ppm1      7.891 ppm2      2.373 CV     1
 ASSI {  365}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 230  and name HB1 ))
      6.000     4.500     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.38950E-03 ppm1      7.440 ppm2      2.273 CV     1
 ASSI {  366}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 264  and name HB1 ))
      6.000     4.500     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.13024E-02 ppm1      7.891 ppm2      2.042 CV     1
 OR {  366}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 267  and name HB  ))
 OR {  366}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 264  and name HB2 ))
 ASSI {  367}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 230  and name HB2 ))
      6.000     4.500     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.65959E-03 ppm1      7.440 ppm2      2.056 CV     1
 ASSI {  368}
   (( segid "   A" and resid 266  and name HN  ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.72978E-02 ppm1      7.892 ppm2      1.222 CV     1
 ASSI {  370}
   (( segid "   A" and resid 266  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
      6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.18071E-02 ppm1      7.891 ppm2      0.952 CV     1
 OR {  370}
   (( segid "   A" and resid 266  and name HN  ))
   (  segid "   A" and resid 267  and name HG2%)
 OR {  370}
   (( segid "   A" and resid 266  and name HN  ))
   (  segid "   A" and resid 211  and name HG2%)
 ASSI {  371}
   (( segid "   A" and resid 231  and name HN  ))
   (  segid "   A" and resid 231  and name HB% )
      6.000     4.500     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.64853E-02 ppm1      7.440 ppm2      0.908 CV     1
 ASSI {  372}
   (( segid "   A" and resid 231  and name HN  ))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.46503E-03 ppm1      7.439 ppm2      0.647 CV     1
 ASSI {  373}
   (( segid "   A" and resid 145  and name HN  ))
   (( segid "   A" and resid 145  and name HA  ))
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.33025E-02 ppm1      8.228 ppm2      4.580 CV     1
 ASSI {  374}
   (( segid "   A" and resid 145  and name HN  ))
   (( segid "   A" and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.13207E-02 ppm1      8.227 ppm2      3.008 CV     1
 ASSI {  375}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.46999E-02 ppm1      7.623 ppm2      8.613 CV     1
 ASSI {  377}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 202  and name HN  ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.98653E-03 ppm1      7.622 ppm2      7.956 CV     1
 ASSI {  378}
   (( segid "   A" and resid 164  and name HN  ))
   (  segid "   A" and resid 254  and name HE% )
      6.000     4.500     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.58902E-03 ppm1      9.454 ppm2      7.300 CV     1
 ASSI {  379}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.13436E-02 ppm1      9.453 ppm2      6.285 CV     1
 ASSI {  380}
   (( segid "   A" and resid 156  and name HN  ))
   (( segid "   A" and resid 155  and name HA  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.99568E-03 ppm1      9.066 ppm2      5.504 CV     1
 ASSI {  381}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 162  and name HA  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.42192E-03 ppm1      9.451 ppm2      4.831 CV     1
 ASSI {  382}
   (( segid "   A" and resid 156  and name HN  ))
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.81028E-03 ppm1      9.063 ppm2      4.746 CV     1
 ASSI {  383}
   (( segid "   A" and resid 145  and name HN  ))
   (( segid "   A" and resid 144  and name HA  ))
      6.000     4.500     0.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.24305E-02 ppm1      8.227 ppm2      4.459 CV     1
 ASSI {  384}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 163  and name HA  ))
      6.000     4.500     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.53370E-03 ppm1      9.456 ppm2      4.107 CV     1
 ASSI {  385}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 200  and name HA  ))
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.37622E-02 ppm1      7.623 ppm2      4.104 CV     1
 ASSI {  386}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 163  and name HD1 ))
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.50623E-03 ppm1      9.452 ppm2      4.006 CV     1
 ASSI {  387}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.22557E-02 ppm1      7.623 ppm2      3.855 CV     1
 ASSI {  388}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 163  and name HD2 ))
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.58368E-03 ppm1      9.452 ppm2      3.582 CV     1
 ASSI {  389}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12745E-02 ppm1      9.456 ppm2      3.279 CV     1
 ASSI {  390}
   (( segid "   A" and resid 156  and name HN  ))
   (( segid "   A" and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.64090E-03 ppm1      9.068 ppm2      2.914 CV     1
 ASSI {  391}
   (( segid "   A" and resid 156  and name HN  ))
   (( segid "   A" and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.83622E-03 ppm1      9.069 ppm2      2.735 CV     1
 ASSI {  392}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 199  and name HB2 ))
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.34891E-02 ppm1      7.622 ppm2      2.671 CV     1
 ASSI {  393}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 286  and name HB  ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.64815E-03 ppm1      9.457 ppm2      2.327 CV     1
 ASSI {  395}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 162  and name HB  ))
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.10617E-02 ppm1      9.454 ppm2      2.168 CV     1
 ASSI {  396}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 163  and name HG1 ))
      6.000     4.500     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.13932E-02 ppm1      9.452 ppm2      1.960 CV     1
 ASSI {  397}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 198  and name HB  ))
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.90794E-03 ppm1      7.621 ppm2      1.962 CV     1
 OR {  397}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 226  and name HB1 ))
 OR {  397}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 226  and name HB2 ))
 OR {  397}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 197  and name HB  ))
 ASSI {  398}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 163  and name HB1 ))
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.75954E-03 ppm1      9.455 ppm2      1.666 CV     1
 ASSI {  399}
   (( segid "   A" and resid 156  and name HN  ))
   (( segid "   A" and resid 116  and name HB  ))
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.37844E-03 ppm1      9.056 ppm2      1.539 CV     1
 ASSI {  400}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.62564E-03 ppm1      7.622 ppm2      1.522 CV     1
 ASSI {  401}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.62716E-03 ppm1      7.624 ppm2      1.441 CV     1
 OR {  401}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 240  and name HB2 ))
 ASSI {  402}
   (( segid "   A" and resid 164  and name HN  ))
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.12578E-02 ppm1      9.453 ppm2      1.040 CV     1
 OR {  402}
   (( segid "   A" and resid 164  and name HN  ))
   (  segid "   A" and resid 287  and name HG2%)
 ASSI {  403}
   (( segid "   A" and resid 156  and name HN  ))
   (  segid "   A" and resid 156  and name HB% )
      6.000     4.500     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.99568E-03 ppm1      9.065 ppm2      0.810 CV     1
 ASSI {  404}
   (( segid "   A" and resid 200  and name HN  ))
   (  segid "   A" and resid 197  and name HD1%)
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.98653E-03 ppm1      7.621 ppm2      0.791 CV     1
 OR {  404}
   (( segid "   A" and resid 200  and name HN  ))
   (  segid "   A" and resid 201  and name HD2%)
 OR {  404}
   (( segid "   A" and resid 200  and name HN  ))
   (  segid "   A" and resid 201  and name HD1%)
 ASSI {  405}
   (( segid "   A" and resid 164  and name HN  ))
   (( segid "   A" and resid 164  and name HB1 ))
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.31900E-02 ppm1      9.452 ppm2      0.739 CV     1
 ASSI {  406}
   (( segid "   A" and resid 156  and name HN  ))
   (  segid "   A" and resid 116  and name HG2%)
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.40743E-03 ppm1      9.065 ppm2      0.677 CV     1
 ASSI {  407}
   (( segid "   A" and resid 156  and name HN  ))
   (  segid "   A" and resid 119  and name HD1%)
      6.000     4.500     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.78129E-03 ppm1      9.062 ppm2      0.230 CV     1
 ASSI {  408}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 221  and name HN  ))
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.80379E-03 ppm1      7.600 ppm2      9.327 CV     1
 ASSI {  410}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 225  and name HN  ))
      6.000     4.500     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      7.602 ppm2      7.307 CV     1
 ASSI {  411}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.40132E-02 ppm1      7.604 ppm2      4.341 CV     1
 ASSI {  412}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 238  and name HB2 ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.94685E-03 ppm1      8.158 ppm2      2.775 CV     1
 ASSI {  413}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.39293E-02 ppm1      7.605 ppm2      2.493 CV     1
 ASSI {  414}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 201  and name HG  ))
      6.000     4.500     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.76908E-03 ppm1      7.607 ppm2      1.815 CV     1
 OR {  414}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 225  and name HB  ))
 ASSI {  415}
   (( segid "   A" and resid 224  and name HN  ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.11170E-02 ppm1      7.605 ppm2      0.873 CV     1
 OR {  415}
   (( segid "   A" and resid 200  and name HN  ))
   (  segid "   A" and resid 197  and name HG2%)
 OR {  415}
   (( segid "   A" and resid 200  and name HN  ))
   (  segid "   A" and resid 198  and name HG2%)
 ASSI {  416}
   (( segid "   A" and resid 224  and name HN  ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.81142E-03 ppm1      7.601 ppm2      0.641 CV     1
 OR {  416}
   (( segid "   A" and resid 224  and name HN  ))
   (  segid "   A" and resid 220  and name HD1%)
 ASSI {  417}
   (( segid "   A" and resid 239  and name HN  ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.51081E-03 ppm1      8.159 ppm2      0.187 CV     1
 ASSI {  418}
   (( segid "   A" and resid 239  and name HN  ))
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.49631E-03 ppm1      8.158 ppm2     -0.141 CV     1
 ASSI {  419}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 256  and name HN  ))
      6.000     4.500     0.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.52378E-03 ppm1      8.157 ppm2      8.812 CV     1
 ASSI {  420}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 240  and name HN  ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.68248E-03 ppm1      8.157 ppm2      8.590 CV     1
 ASSI {  421}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 184  and name HN  ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.41162E-03 ppm1      8.567 ppm2      7.937 CV     1
 ASSI {  422}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.14561E-02 ppm1      8.160 ppm2      7.778 CV     1
 ASSI {  423}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.91862E-03 ppm1      8.569 ppm2      5.326 CV     1
 ASSI {  424}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.53065E-02 ppm1      8.571 ppm2      4.927 CV     1
 ASSI {  425}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 238  and name HA  ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.88009E-02 ppm1      8.158 ppm2      4.754 CV     1
 ASSI {  426}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 174  and name HA  ))
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.10754E-02 ppm1      8.572 ppm2      4.435 CV     1
 ASSI {  427}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 239  and name HB  ))
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.26784E-02 ppm1      8.157 ppm2      3.913 CV     1
 ASSI {  428}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 224  and name HB1 ))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      7.602 ppm2      2.983 CV     1
 ASSI {  429}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 174  and name HB2 ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.53141E-03 ppm1      8.569 ppm2      2.934 CV     1
 ASSI {  430}
   (( segid "   A" and resid 219  and name HN  ))
   (( segid "   A" and resid 219  and name HB1 ))
      6.000     4.500     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.65578E-03 ppm1     11.143 ppm2      2.685 CV     1
 ASSI {  431}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 238  and name HB1 ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.10708E-02 ppm1      8.159 ppm2      2.307 CV     1
 ASSI {  432}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 185  and name HB  ))
      6.000     4.500     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.15797E-02 ppm1      8.572 ppm2      1.859 CV     1
 ASSI {  433}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 184  and name HB2 ))
      6.000     4.500     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.16251E-02 ppm1      8.571 ppm2      1.707 CV     1
 ASSI {  434}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 184  and name HB1 ))
      6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.10174E-02 ppm1      8.571 ppm2      1.566 CV     1
 ASSI {  435}
   (( segid "   A" and resid 224  and name HN  ))
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.52989E-03 ppm1      7.601 ppm2      1.502 CV     1
 ASSI {  436}
   (( segid "   A" and resid 185  and name HN  ))
   (( segid "   A" and resid 184  and name HG2 ))
      6.000     4.500     0.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.65044E-03 ppm1      8.574 ppm2      1.351 CV     1
 ASSI {  437}
   (( segid "   A" and resid 239  and name HN  ))
   (  segid "   A" and resid 239  and name HG2%)
      6.000     4.500     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.17812E-02 ppm1      8.157 ppm2      1.145 CV     1
 ASSI {  438}
   (( segid "   A" and resid 185  and name HN  ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.26479E-02 ppm1      8.572 ppm2      0.969 CV     1
 ASSI {  439}
   (( segid "   A" and resid 141  and name HN  ))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.14130E-02 ppm1      8.158 ppm2      0.543 CV     1
 OR {  439}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 255  and name HG12))
 ASSI {  441}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.55926E-03 ppm1      8.657 ppm2      8.988 CV     1
 ASSI {  442}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.28692E-02 ppm1      7.372 ppm2      8.292 CV     1
 ASSI {  443}
   (( segid "   A" and resid 107  and name HN  ))
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.16492E-02 ppm1      7.804 ppm2      8.119 CV     1
 ASSI {  444}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 170  and name HN  ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.25010E-02 ppm1      7.685 ppm2      7.981 CV     1
 ASSI {  445}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 266  and name HN  ))
      6.000     4.500     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.55773E-03 ppm1      7.377 ppm2      7.901 CV     1
 ASSI {  447}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.10205E-02 ppm1      8.658 ppm2      7.753 CV     1
 ASSI {  448}
   (( segid "   A" and resid 148  and name HN  ))
   (( segid "   A" and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.72025E-03 ppm1      8.292 ppm2      7.695 CV     1
 ASSI {  449}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 267  and name HN  ))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.46160E-03 ppm1      7.370 ppm2      7.677 CV     1
 ASSI {  450}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.27738E-02 ppm1      7.684 ppm2      7.432 CV     1
 ASSI {  451}
   (( segid "   A" and resid 107  and name HN  ))
   (( segid "   A" and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.53752E-03 ppm1      7.805 ppm2      7.388 CV     1
 ASSI {  453}
   (( segid "   A" and resid 169  and name HN  ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.66951E-03 ppm1      7.687 ppm2      7.276 CV     1
 ASSI {  454}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 263  and name HN  ))
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.50852E-03 ppm1      8.288 ppm2      6.860 CV     1
 ASSI {  455}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 263  and name HN  ))
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.25438E-02 ppm1      7.372 ppm2      6.851 CV     1
 ASSI {  456}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.39789E-02 ppm1      8.658 ppm2      5.244 CV     1
 ASSI {  457}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 271  and name HA  ))
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.21272E-02 ppm1      8.658 ppm2      4.432 CV     1
 ASSI {  458}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 265  and name HA  ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.28390E-02 ppm1      8.292 ppm2      4.224 CV     1
 ASSI {  459}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 265  and name HA  ))
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.48487E-03 ppm1      7.378 ppm2      4.202 CV     1
 ASSI {  460}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.91328E-03 ppm1      7.686 ppm2      3.993 CV     1
 ASSI {  461}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.20627E-02 ppm1      8.293 ppm2      3.913 CV     1
 ASSI {  462}
   (( segid "   A" and resid 107  and name HN  ))
   (( segid "   A" and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.31511E-02 ppm1      7.805 ppm2      3.923 CV     1
 ASSI {  463}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.42917E-02 ppm1      7.373 ppm2      3.910 CV     1
 ASSI {  464}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 263  and name HB1 ))
      6.000     4.500     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.26635E-02 ppm1      7.373 ppm2      3.777 CV     1
 ASSI {  465}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 166  and name HA  ))
      6.000     4.500     0.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.13825E-02 ppm1      7.686 ppm2      3.621 CV     1
 ASSI {  466}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.45435E-03 ppm1      7.685 ppm2      3.421 CV     1
 ASSI {  467}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 281  and name HD1 ))
      6.000     4.500     0.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.63556E-03 ppm1      8.660 ppm2      3.132 CV     1
 ASSI {  468}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 271  and name HB2 ))
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.63785E-03 ppm1      8.659 ppm2      2.889 CV     1
 ASSI {  469}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 265  and name HB1 ))
      6.000     4.500     0.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.41315E-02 ppm1      8.290 ppm2      2.715 CV     1
 ASSI {  470}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 265  and name HB2 ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.73780E-03 ppm1      7.373 ppm2      2.721 CV     1
 OR {  470}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 265  and name HB1 ))
 OR {  470}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 257  and name HB1 ))
 ASSI {  471}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.48716E-03 ppm1      7.687 ppm2      2.602 CV     1
 ASSI {  472}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 169  and name HA  ))
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.26784E-02 ppm1      7.686 ppm2      2.363 CV     1
 ASSI {  473}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 264  and name HG2 ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.14996E-02 ppm1      8.291 ppm2      2.356 CV     1
 OR {  473}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 264  and name HG1 ))
 ASSI {  474}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 264  and name HG1 ))
      6.000     4.500     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.38874E-02 ppm1      7.373 ppm2      2.346 CV     1
 OR {  474}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 264  and name HG2 ))
 ASSI {  475}
   (( segid "   A" and resid 148  and name HN  ))
   (( segid "   A" and resid 148  and name HB  ))
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.84614E-03 ppm1      8.299 ppm2      2.203 CV     1
 ASSI {  476}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 264  and name HB1 ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.40399E-02 ppm1      8.291 ppm2      2.051 CV     1
 OR {  476}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 264  and name HB2 ))
 ASSI {  477}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 264  and name HB2 ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.84843E-02 ppm1      7.373 ppm2      2.054 CV     1
 OR {  477}
   (( segid "   A" and resid 264  and name HN  ))
   (( segid "   A" and resid 264  and name HB1 ))
 ASSI {  478}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 168  and name HB2 ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.29687E-02 ppm1      7.685 ppm2      1.850 CV     1
 ASSI {  479}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 282  and name HB  ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.33548E-02 ppm1      8.658 ppm2      1.742 CV     1
 ASSI {  480}
   (( segid "   A" and resid 184  and name HN  ))
   (( segid "   A" and resid 184  and name HB2 ))
      6.000     4.500     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.82554E-03 ppm1      7.944 ppm2      1.713 CV     1
 ASSI {  481}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 281  and name HG1 ))
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.57223E-03 ppm1      8.664 ppm2      1.516 CV     1
 ASSI {  482}
   (( segid "   A" and resid 107  and name HN  ))
   (  segid "   A" and resid 107  and name HB% )
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.67447E-02 ppm1      7.805 ppm2      1.448 CV     1
 ASSI {  483}
   (( segid "   A" and resid 169  and name HN  ))
   (  segid "   A" and resid 169  and name HB% )
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.66074E-02 ppm1      7.685 ppm2      1.319 CV     1
 ASSI {  484}
   (( segid "   A" and resid 265  and name HN  ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.73436E-03 ppm1      8.292 ppm2      1.213 CV     1
 ASSI {  485}
   (( segid "   A" and resid 282  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
      6.000     4.500     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.44787E-02 ppm1      8.659 ppm2      0.960 CV     1
 OR {  485}
   (( segid "   A" and resid 282  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
 ASSI {  486}
   (( segid "   A" and resid 148  and name HN  ))
   (  segid "   A" and resid 148  and name HG1%)
      6.000     4.500     0.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.16167E-02 ppm1      8.297 ppm2      0.935 CV     1
 ASSI {  487}
   (( segid "   A" and resid 264  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
      6.000     4.500     0.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.87742E-03 ppm1      7.373 ppm2      0.949 CV     1
 OR {  487}
   (( segid "   A" and resid 264  and name HN  ))
   (  segid "   A" and resid 211  and name HG2%)
 OR {  487}
   (( segid "   A" and resid 264  and name HN  ))
   (  segid "   A" and resid 267  and name HG2%)
 ASSI {  488}
   (( segid "   A" and resid 169  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.44138E-03 ppm1      7.682 ppm2      0.637 CV     1
 ASSI {  489}
   (( segid "   A" and resid 184  and name HN  ))
   (( segid "   A" and resid 117  and name HN  ))
      6.000     4.500     0.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.43108E-03 ppm1      7.943 ppm2      9.102 CV     1
 ASSI {  491}
   (( segid "   A" and resid 128  and name HN  ))
   (( segid "   A" and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.15191E-02 ppm1      7.405 ppm2      8.862 CV     1
 ASSI {  492}
   (( segid "   A" and resid 141  and name HN  ))
   (( segid "   A" and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.65120E-03 ppm1      8.168 ppm2      7.689 CV     1
 ASSI {  493}
   (( segid "   A" and resid 184  and name HN  ))
   (( segid "   A" and resid 184  and name HA  ))
      6.000     4.500     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.63479E-03 ppm1      7.941 ppm2      4.922 CV     1
 ASSI {  494}
   (( segid "   A" and resid 184  and name HN  ))
   (( segid "   A" and resid 183  and name HA  ))
      6.000     4.500     0.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.11902E-02 ppm1      7.939 ppm2      4.607 CV     1
 ASSI {  495}
   (( segid "   A" and resid 141  and name HN  ))
   (( segid "   A" and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.34544E-02 ppm1      8.169 ppm2      4.573 CV     1
 ASSI {  496}
   (( segid "   A" and resid 141  and name HN  ))
   (( segid "   A" and resid 140  and name HA  ))
      6.000     4.500     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.69965E-02 ppm1      8.170 ppm2      4.458 CV     1
 ASSI {  497}
   (( segid "   A" and resid 128  and name HN  ))
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.10388E-02 ppm1      7.404 ppm2      4.143 CV     1
 ASSI {  498}
   (( segid "   A" and resid 128  and name HN  ))
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.22435E-02 ppm1      7.404 ppm2      3.690 CV     1
 ASSI {  499}
   (( segid "   A" and resid 141  and name HN  ))
   (( segid "   A" and resid 140  and name HB2 ))
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.26666E-02 ppm1      8.171 ppm2      3.675 CV     1
 ASSI {  500}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 243  and name HB2 ))
      6.000     4.500     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.10449E-02 ppm1      7.901 ppm2      2.377 CV     1
 ASSI {  501}
   (( segid "   A" and resid 184  and name HN  ))
   (( segid "   A" and resid 183  and name HB  ))
      6.000     4.500     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      7.945 ppm2      1.994 CV     1
 ASSI {  502}
   (( segid "   A" and resid 141  and name HN  ))
   (( segid "   A" and resid 141  and name HB  ))
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.25991E-02 ppm1      8.171 ppm2      1.596 CV     1
 ASSI {  503}
   (( segid "   A" and resid 141  and name HN  ))
   (( segid "   A" and resid 141  and name HG12))
      6.000     4.500     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.11200E-02 ppm1      8.172 ppm2      1.480 CV     1
 ASSI {  504}
   (( segid "   A" and resid 128  and name HN  ))
   (( segid "   A" and resid 128  and name HG11))
      6.000     4.500     0.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.26387E-02 ppm1      7.407 ppm2      1.179 CV     1
 ASSI {  505}
   (( segid "   A" and resid 184  and name HN  ))
   (  segid "   A" and resid 183  and name HG2%)
      6.000     4.500     0.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.10754E-02 ppm1      7.950 ppm2      0.907 CV     1
 OR {  505}
   (( segid "   A" and resid 202  and name HN  ))
   (  segid "   A" and resid 198  and name HG2%)
 ASSI {  506}
   (( segid "   A" and resid 285  and name HN  ))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.79845E-03 ppm1      7.687 ppm2      0.761 CV     1
 OR {  506}
   (( segid "   A" and resid 169  and name HN  ))
   (  segid "   A" and resid 170  and name HD2%)
 OR {  506}
   (( segid "   A" and resid 169  and name HN  ))
   (  segid "   A" and resid 170  and name HD1%)
 OR {  506}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 164  and name HB2 ))
 OR {  506}
   (( segid "   A" and resid 169  and name HN  ))
   (( segid "   A" and resid 164  and name HB2 ))
 ASSI {  507}
   (( segid "   A" and resid 141  and name HN  ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.90565E-03 ppm1      8.170 ppm2      0.736 CV     1
 ASSI {  508}
   (( segid "   A" and resid 128  and name HN  ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.53523E-03 ppm1      7.410 ppm2      0.743 CV     1
 OR {  508}
   (( segid "   A" and resid 128  and name HN  ))
   (  segid "   A" and resid 138  and name HD1%)
 ASSI {  509}
   (( segid "   A" and resid 141  and name HN  ))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.14497E-02 ppm1      8.170 ppm2      0.540 CV     1
 ASSI {  510}
   (( segid "   A" and resid 128  and name HN  ))
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.19429E-02 ppm1      7.406 ppm2      0.509 CV     1
 ASSI {  511}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 286  and name HN  ))
      6.000     4.500     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.38111E-03 ppm1      7.699 ppm2      9.841 CV     1
 ASSI {  513}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 212  and name HN  ))
      6.000     4.500     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.93274E-03 ppm1      7.691 ppm2      9.147 CV     1
 ASSI {  514}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 284  and name HN  ))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.63403E-03 ppm1      7.694 ppm2      8.587 CV     1
 ASSI {  515}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 247  and name HN  ))
      6.000     4.500     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      7.902 ppm2      8.398 CV     1
 ASSI {  517}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 281  and name HN  ))
      6.000     4.500     0.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.46961E-03 ppm1      7.564 ppm2      7.755 CV     1
 ASSI {  518}
   (( segid "   A" and resid 273  and name HN  ))
   (  segid "   A" and resid 273  and name HD% )
      6.000     4.500     0.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.16881E-02 ppm1      7.563 ppm2      7.140 CV     1
 ASSI {  520}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.26784E-02 ppm1      7.690 ppm2      5.050 CV     1
 ASSI {  521}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 270  and name HA  ))
      6.000     4.500     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.96974E-03 ppm1      7.563 ppm2      4.914 CV     1
 ASSI {  522}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 243  and name HA  ))
      6.000     4.500     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.88619E-03 ppm1      7.903 ppm2      4.878 CV     1
 ASSI {  523}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.58291E-03 ppm1      7.562 ppm2      4.775 CV     1
 ASSI {  524}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 285  and name HA  ))
      6.000     4.500     0.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.17922E-02 ppm1      7.697 ppm2      4.737 CV     1
 ASSI {  525}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 271  and name HA  ))
      6.000     4.500     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.12852E-02 ppm1      7.563 ppm2      4.431 CV     1
 ASSI {  526}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 248  and name HA  ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.38301E-02 ppm1      7.903 ppm2      4.401 CV     1
 ASSI {  527}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 284  and name HA  ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.58062E-02 ppm1      7.690 ppm2      4.389 CV     1
 ASSI {  528}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 273  and name HA  ))
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.24640E-02 ppm1      7.562 ppm2      4.274 CV     1
 ASSI {  530}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.15839E-02 ppm1      7.563 ppm2      3.865 CV     1
 ASSI {  531}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 247  and name HA2 ))
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.11582E-02 ppm1      7.902 ppm2      3.740 CV     1
 ASSI {  532}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 273  and name HB1 ))
      6.000     4.500     0.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.31900E-02 ppm1      7.563 ppm2      3.288 CV     1
 ASSI {  533}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 243  and name HB1 ))
      6.000     4.500     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      7.902 ppm2      3.131 CV     1
 ASSI {  534}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 273  and name HB2 ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.33418E-02 ppm1      7.563 ppm2      2.937 CV     1
 ASSI {  535}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 286  and name HB  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.20074E-02 ppm1      7.702 ppm2      2.340 CV     1
 ASSI {  536}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 280  and name HB2 ))
      6.000     4.500     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.16663E-02 ppm1      7.563 ppm2      2.228 CV     1
 ASSI {  537}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 272  and name HB2 ))
      6.000     4.500     0.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.70423E-03 ppm1      7.563 ppm2      2.015 CV     1
 ASSI {  538}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 284  and name HB2 ))
      6.000     4.500     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.34803E-02 ppm1      7.690 ppm2      1.959 CV     1
 ASSI {  539}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 270  and name HB1 ))
      6.000     4.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.45397E-03 ppm1      7.563 ppm2      1.914 CV     1
 OR {  539}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 270  and name HG2 ))
 ASSI {  540}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 248  and name HB2 ))
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.32983E-02 ppm1      7.902 ppm2      1.807 CV     1
 ASSI {  541}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 248  and name HB1 ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.55926E-02 ppm1      7.903 ppm2      1.588 CV     1
 ASSI {  542}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 272  and name HB1 ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.84385E-03 ppm1      7.564 ppm2      1.514 CV     1
 ASSI {  543}
   (( segid "   A" and resid 285  and name HN  ))
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.60504E-02 ppm1      7.689 ppm2      1.495 CV     1
 ASSI {  544}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.17400E-02 ppm1      7.956 ppm2      1.408 CV     1
 ASSI {  545}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 248  and name HG1 ))
      6.000     4.500     0.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.59550E-02 ppm1      7.902 ppm2      1.337 CV     1
 OR {  545}
   (( segid "   A" and resid 248  and name HN  ))
   (( segid "   A" and resid 248  and name HG2 ))
 ASSI {  546}
   (( segid "   A" and resid 273  and name HN  ))
   (( segid "   A" and resid 280  and name HB1 ))
      6.000     4.500     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.54133E-03 ppm1      7.562 ppm2      1.340 CV     1
 ASSI {  547}
   (( segid "   A" and resid 242  and name HN  ))
   (( segid "   A" and resid 242  and name HB2 ))
      6.000     4.500     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.19368E-02 ppm1      8.452 ppm2      1.329 CV     1
 ASSI {  548}
   (( segid "   A" and resid 248  and name HN  ))
   (  segid "   A" and resid 246  and name HG2%)
      6.000     4.500     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.11796E-02 ppm1      7.901 ppm2      1.170 CV     1
 ASSI {  549}
   (( segid "   A" and resid 273  and name HN  ))
   (  segid "   A" and resid 280  and name HD1%)
      6.000     4.500     0.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.15385E-02 ppm1      7.563 ppm2      1.009 CV     1
 OR {  549}
   (( segid "   A" and resid 273  and name HN  ))
   (  segid "   A" and resid 275  and name HD1%)
 ASSI {  550}
   (( segid "   A" and resid 285  and name HN  ))
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.28344E-02 ppm1      7.688 ppm2      0.942 CV     1
 OR {  550}
   (( segid "   A" and resid 169  and name HN  ))
   (  segid "   A" and resid 185  and name HG1%)
 OR {  550}
   (( segid "   A" and resid 285  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
 OR {  550}
   (( segid "   A" and resid 285  and name HN  ))
   (  segid "   A" and resid 267  and name HG2%)
 ASSI {  551}
   (( segid "   A" and resid 273  and name HN  ))
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.78434E-03 ppm1      7.567 ppm2      0.835 CV     1
 ASSI {  553}
   (( segid "   A" and resid 273  and name HN  ))
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.78853E-03 ppm1      7.567 ppm2      0.678 CV     1
 ASSI {  554}
   (( segid "   A" and resid 273  and name HN  ))
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.51005E-03 ppm1      7.570 ppm2      0.171 CV     1
 ASSI {  555}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.71185E-03 ppm1      8.216 ppm2      9.219 CV     1
 ASSI {  556}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 201  and name HN  ))
      6.000     4.500     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.30122E-02 ppm1      7.959 ppm2      8.607 CV     1
 ASSI {  557}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.80608E-03 ppm1      7.960 ppm2      8.444 CV     1
 ASSI {  558}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.53217E-03 ppm1      7.958 ppm2      8.181 CV     1
 ASSI {  559}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.22954E-02 ppm1      8.859 ppm2      7.912 CV     1
 ASSI {  560}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.36493E-02 ppm1      7.959 ppm2      7.773 CV     1
 ASSI {  561}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.54057E-03 ppm1      8.860 ppm2      7.710 CV     1
 ASSI {  563}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 278  and name HN  ))
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.75611E-03 ppm1      8.216 ppm2      7.090 CV     1
 ASSI {  564}
   (( segid "   A" and resid 279  and name HN  ))
   (  segid "   A" and resid 279  and name HD% )
      6.000     4.500     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.16251E-02 ppm1      8.215 ppm2      6.955 CV     1
 ASSI {  565}
   (( segid "   A" and resid 279  and name HN  ))
   (  segid "   A" and resid 279  and name HE% )
      6.000     4.500     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.37729E-03 ppm1      8.219 ppm2      6.730 CV     1
 ASSI {  566}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 279  and name HA  ))
      6.000     4.500     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.28085E-02 ppm1      8.214 ppm2      4.781 CV     1
 ASSI {  567}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 199  and name HA  ))
      6.000     4.500     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.15927E-02 ppm1      7.958 ppm2      4.373 CV     1
 ASSI {  568}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 278  and name HA  ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.96860E-02 ppm1      8.215 ppm2      4.317 CV     1
 ASSI {  569}
   (( segid "   A" and resid 242  and name HN  ))
   (( segid "   A" and resid 241  and name HA  ))
      6.000     4.500     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.64052E-02 ppm1      8.451 ppm2      4.106 CV     1
 ASSI {  570}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 203  and name HA  ))
      6.000     4.500     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.77785E-03 ppm1      7.959 ppm2      4.053 CV     1
 ASSI {  571}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.57757E-03 ppm1      8.860 ppm2      4.000 CV     1
 ASSI {  572}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 202  and name HA  ))
      6.000     4.500     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.46694E-02 ppm1      7.958 ppm2      3.901 CV     1
 ASSI {  573}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 272  and name HA  ))
      6.000     4.500     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.44634E-03 ppm1      8.213 ppm2      3.867 CV     1
 ASSI {  574}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.45702E-03 ppm1      7.955 ppm2      3.520 CV     1
 ASSI {  575}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 279  and name HB2 ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.27913E-02 ppm1      8.215 ppm2      2.710 CV     1
 ASSI {  576}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 199  and name HB1 ))
      6.000     4.500     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.51463E-03 ppm1      7.953 ppm2      2.639 CV     1
 OR {  576}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 199  and name HB2 ))
 ASSI {  577}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 279  and name HB1 ))
      6.000     4.500     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.18746E-02 ppm1      8.215 ppm2      2.512 CV     1
 ASSI {  578}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 278  and name HG2 ))
      6.000     4.500     0.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.96364E-03 ppm1      8.212 ppm2      2.303 CV     1
 ASSI {  579}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.10708E-02 ppm1      8.215 ppm2      2.217 CV     1
 ASSI {  580}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 201  and name HB2 ))
      6.000     4.500     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.30298E-02 ppm1      7.958 ppm2      2.132 CV     1
 ASSI {  581}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 278  and name HB2 ))
      6.000     4.500     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.23019E-02 ppm1      8.215 ppm2      2.103 CV     1
 ASSI {  582}
   (( segid "   A" and resid 279  and name HN  ))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.14867E-02 ppm1      8.215 ppm2      1.923 CV     1
 ASSI {  583}
   (( segid "   A" and resid 202  and name HN  ))
   (( segid "   A" and resid 201  and name HG  ))
      6.000     4.500     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.98042E-03 ppm1      7.962 ppm2      1.838 CV     1
 ASSI {  584}
   (( segid "   A" and resid 242  and name HN  ))
   (( segid "   A" and resid 242  and name HB1 ))
      6.000     4.500     0.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.23385E-02 ppm1      8.453 ppm2      1.581 CV     1
 ASSI {  585}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 129  and name HG1 ))
      6.000     4.500     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.16251E-02 ppm1      8.859 ppm2      1.514 CV     1
 OR {  585}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 129  and name HG2 ))
 ASSI {  586}
   (( segid "   A" and resid 202  and name HN  ))
   (  segid "   A" and resid 202  and name HB% )
      6.000     4.500     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.94151E-02 ppm1      7.959 ppm2      1.538 CV     1
 ASSI {  587}
   (( segid "   A" and resid 202  and name HN  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.54667E-03 ppm1      7.959 ppm2      1.114 CV     1
 ASSI {  588}
   (( segid "   A" and resid 242  and name HN  ))
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.32854E-02 ppm1      8.451 ppm2      0.759 CV     1
 ASSI {  589}
   (( segid "   A" and resid 202  and name HN  ))
   (  segid "   A" and resid 201  and name HD1%)
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.18830E-02 ppm1      7.959 ppm2      0.775 CV     1
 OR {  589}
   (( segid "   A" and resid 202  and name HN  ))
   (  segid "   A" and resid 201  and name HD2%)
 ASSI {  590}
   (( segid "   A" and resid 129  and name HN  ))
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.17075E-02 ppm1      8.860 ppm2      0.507 CV     1
 ASSI {  591}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 177  and name HN  ))
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.82020E-03 ppm1      7.351 ppm2      8.248 CV     1
 ASSI {  592}
   (( segid "   A" and resid 204  and name HN  ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.22893E-02 ppm1      8.445 ppm2      8.183 CV     1
 ASSI {  594}
   (( segid "   A" and resid 204  and name HN  ))
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.26052E-02 ppm1      8.444 ppm2      7.771 CV     1
 ASSI {  595}
   (( segid "   A" and resid 204  and name HN  ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.38683E-03 ppm1      8.446 ppm2      7.439 CV     1
 ASSI {  597}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.79731E-03 ppm1      7.355 ppm2      5.002 CV     1
 ASSI {  598}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 174  and name HA  ))
      6.000     4.500     0.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.59893E-03 ppm1      7.350 ppm2      4.427 CV     1
 OR {  598}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 172  and name HA  ))
 ASSI {  599}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 126  and name HA  ))
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10937E-02 ppm1      8.860 ppm2      4.328 CV     1
 ASSI {  600}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 175  and name HA  ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.95906E-03 ppm1      7.351 ppm2      4.324 CV     1
 ASSI {  601}
   (( segid "   A" and resid 204  and name HN  ))
   (( segid "   A" and resid 204  and name HA  ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.46084E-02 ppm1      8.446 ppm2      4.042 CV     1
 ASSI {  602}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 176  and name HA  ))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.28951E-02 ppm1      7.353 ppm2      4.024 CV     1
 ASSI {  603}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 129  and name HA  ))
      6.000     4.500     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.28997E-02 ppm1      8.859 ppm2      3.655 CV     1
 ASSI {  604}
   (( segid "   A" and resid 204  and name HN  ))
   (( segid "   A" and resid 204  and name HG2 ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.33807E-02 ppm1      8.446 ppm2      2.635 CV     1
 ASSI {  605}
   (( segid "   A" and resid 204  and name HN  ))
   (( segid "   A" and resid 204  and name HG1 ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.43337E-02 ppm1      8.446 ppm2      2.276 CV     1
 ASSI {  607}
   (( segid "   A" and resid 204  and name HN  ))
   (( segid "   A" and resid 204  and name HB2 ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.59359E-02 ppm1      8.445 ppm2      2.139 CV     1
 ASSI {  608}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 176  and name HB  ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.43032E-02 ppm1      7.351 ppm2      2.046 CV     1
 ASSI {  609}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.48296E-02 ppm1      8.859 ppm2      1.920 CV     1
 ASSI {  610}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.60733E-03 ppm1      7.358 ppm2      1.890 CV     1
 OR {  610}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 177  and name HB1 ))
 ASSI {  611}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 183  and name HG12))
      6.000     4.500     0.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16362E-02 ppm1      7.352 ppm2      1.483 CV     1
 OR {  611}
   (( segid "   A" and resid 176  and name HN  ))
   (( segid "   A" and resid 183  and name HG11))
 ASSI {  612}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 128  and name HG11))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.76374E-03 ppm1      8.861 ppm2      1.183 CV     1
 OR {  612}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 128  and name HG12))
 ASSI {  613}
   (( segid "   A" and resid 204  and name HN  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.84614E-03 ppm1      8.446 ppm2      1.122 CV     1
 OR {  613}
   (( segid "   A" and resid 204  and name HN  ))
   (  segid "   A" and resid 207  and name HB% )
 ASSI {  614}
   (( segid "   A" and resid 176  and name HN  ))
   (  segid "   A" and resid 176  and name HG1%)
      6.000     4.500     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.55468E-02 ppm1      7.352 ppm2      0.994 CV     1
 ASSI {  615}
   (( segid "   A" and resid 176  and name HN  ))
   (  segid "   A" and resid 176  and name HG2%)
      6.000     4.500     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.42803E-02 ppm1      7.352 ppm2      0.865 CV     1
 ASSI {  616}
   (( segid "   A" and resid 129  and name HN  ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.21085E-02 ppm1      8.860 ppm2      0.721 CV     1
 OR {  616}
   (( segid "   A" and resid 129  and name HN  ))
   (  segid "   A" and resid 138  and name HD1%)
 ASSI {  617}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 219  and name HN  ))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.16167E-02 ppm1      7.839 ppm2     11.148 CV     1
 ASSI {  618}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 221  and name HN  ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.59741E-03 ppm1      7.839 ppm2      9.340 CV     1
 ASSI {  619}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 204  and name HN  ))
      6.000     4.500     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.64662E-03 ppm1      8.617 ppm2      8.457 CV     1
 ASSI {  620}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.52760E-03 ppm1      7.839 ppm2      8.045 CV     1
 ASSI {  621}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.40552E-03 ppm1      8.465 ppm2      7.907 CV     1
 ASSI {  622}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 203  and name HN  ))
      6.000     4.500     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.62564E-03 ppm1      8.613 ppm2      7.777 CV     1
 ASSI {  623}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 219  and name HA  ))
      6.000     4.500     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      7.840 ppm2      4.730 CV     1
 ASSI {  624}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 220  and name HA  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.19982E-02 ppm1      7.839 ppm2      4.583 CV     1
 ASSI {  625}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 200  and name HA  ))
      6.000     4.500     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      8.610 ppm2      4.103 CV     1
 ASSI {  626}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 201  and name HA  ))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.20287E-02 ppm1      8.609 ppm2      3.925 CV     1
 ASSI {  627}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.94838E-03 ppm1      8.609 ppm2      3.521 CV     1
 ASSI {  628}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 219  and name HB1 ))
      6.000     4.500     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      7.841 ppm2      2.713 CV     1
 ASSI {  630}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 220  and name HB1 ))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.26635E-02 ppm1      7.841 ppm2      1.967 CV     1
 ASSI {  631}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 201  and name HG  ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.29733E-02 ppm1      8.609 ppm2      1.829 CV     1
 ASSI {  632}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 220  and name HG  ))
      6.000     4.500     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.30557E-02 ppm1      7.840 ppm2      1.584 CV     1
 ASSI {  633}
   (( segid "   A" and resid 201  and name HN  ))
   (  segid "   A" and resid 202  and name HB% )
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10403E-02 ppm1      8.612 ppm2      1.545 CV     1
 OR {  633}
   (( segid "   A" and resid 199  and name HN  ))
   (  segid "   A" and resid 202  and name HB% )
 ASSI {  634}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 201  and name HB1 ))
      6.000     4.500     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.19891E-02 ppm1      8.610 ppm2      1.410 CV     1
 ASSI {  635}
   (( segid "   A" and resid 220  and name HN  ))
   (( segid "   A" and resid 220  and name HB2 ))
      6.000     4.500     0.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.20810E-02 ppm1      7.840 ppm2      1.259 CV     1
 ASSI {  636}
   (( segid "   A" and resid 220  and name HN  ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.22161E-02 ppm1      7.841 ppm2      0.883 CV     1
 ASSI {  637}
   (( segid "   A" and resid 201  and name HN  ))
   (  segid "   A" and resid 201  and name HD1%)
      6.000     4.500     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.35238E-02 ppm1      8.609 ppm2      0.776 CV     1
 ASSI {  638}
   (( segid "   A" and resid 220  and name HN  ))
   (  segid "   A" and resid 220  and name HD1%)
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.28085E-02 ppm1      7.842 ppm2      0.669 CV     1
 ASSI {  639}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 114  and name HN  ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.74543E-03 ppm1      7.385 ppm2      9.063 CV     1
 ASSI {  640}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.24030E-02 ppm1      8.614 ppm2      7.621 CV     1
 ASSI {  641}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.29169E-02 ppm1      7.388 ppm2      7.204 CV     1
 ASSI {  642}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 249  and name HD2 ))
      6.000     4.500     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.69774E-03 ppm1      8.476 ppm2      7.053 CV     1
 ASSI {  643}
   (( segid "   A" and resid 123  and name HN  ))
   (  segid "   A" and resid 120  and name HD% )
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.64815E-03 ppm1      7.746 ppm2      7.056 CV     1
 ASSI {  644}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.79960E-03 ppm1      8.472 ppm2      5.350 CV     1
 ASSI {  645}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      7.387 ppm2      5.335 CV     1
 ASSI {  646}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 248  and name HA  ))
      6.000     4.500     0.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.52035E-02 ppm1      8.472 ppm2      4.403 CV     1
 ASSI {  647}
   (( segid "   A" and resid 123  and name HN  ))
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      7.747 ppm2      4.374 CV     1
 ASSI {  648}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 112  and name HA  ))
      6.000     4.500     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.13737E-02 ppm1      7.389 ppm2      4.117 CV     1
 ASSI {  649}
   (( segid "   A" and resid 125  and name HN  ))
   (( segid "   A" and resid 124  and name HA1 ))
      6.000     4.500     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.88391E-03 ppm1      8.881 ppm2      3.904 CV     1
 ASSI {  650}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.14737E-02 ppm1      8.612 ppm2      3.880 CV     1
 OR {  650}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 197  and name HA  ))
 OR {  650}
   (( segid "   A" and resid 201  and name HN  ))
   (( segid "   A" and resid 202  and name HA  ))
 ASSI {  651}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 111  and name HA  ))
      6.000     4.500     0.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.59359E-03 ppm1      7.384 ppm2      3.866 CV     1
 ASSI {  652}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.97279E-03 ppm1      7.389 ppm2      3.642 CV     1
 ASSI {  653}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 249  and name HB1 ))
      6.000     4.500     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.70651E-03 ppm1      8.470 ppm2      3.255 CV     1
 ASSI {  654}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 112  and name HB2 ))
      6.000     4.500     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      7.388 ppm2      3.048 CV     1
 ASSI {  656}
   (( segid "   A" and resid 125  and name HN  ))
   (( segid "   A" and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.99416E-03 ppm1      8.878 ppm2      2.135 CV     1
 ASSI {  657}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 248  and name HB2 ))
      6.000     4.500     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.20226E-02 ppm1      8.472 ppm2      1.804 CV     1
 ASSI {  658}
   (( segid "   A" and resid 123  and name HN  ))
   (( segid "   A" and resid 123  and name HG  ))
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.30382E-02 ppm1      7.748 ppm2      1.800 CV     1
 ASSI {  659}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 113  and name HB2 ))
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.54972E-02 ppm1      7.388 ppm2      1.720 CV     1
 ASSI {  660}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 248  and name HB1 ))
      6.000     4.500     0.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.22130E-02 ppm1      8.472 ppm2      1.583 CV     1
 ASSI {  661}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 248  and name HG2 ))
      6.000     4.500     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      8.472 ppm2      1.334 CV     1
 OR {  661}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 248  and name HG1 ))
 OR {  661}
   (( segid "   A" and resid 249  and name HN  ))
   (( segid "   A" and resid 242  and name HB2 ))
 ASSI {  662}
   (( segid "   A" and resid 123  and name HN  ))
   (( segid "   A" and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.20013E-02 ppm1      7.748 ppm2      1.341 CV     1
 ASSI {  663}
   (( segid "   A" and resid 123  and name HN  ))
   (  segid "   A" and resid 123  and name HD1%)
      6.000     4.500     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.29516E-02 ppm1      7.748 ppm2      0.912 CV     1
 ASSI {  664}
   (( segid "   A" and resid 123  and name HN  ))
   (  segid "   A" and resid 119  and name HG2%)
      6.000     4.500     0.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.74962E-03 ppm1      7.749 ppm2      0.670 CV     1
 ASSI {  668}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 197  and name HN  ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.48411E-03 ppm1      8.616 ppm2      7.122 CV     1
 ASSI {  669}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 199  and name HA  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.40590E-02 ppm1      8.618 ppm2      4.379 CV     1
 ASSI {  670}
   (( segid "   A" and resid 203  and name HN  ))
   (( segid "   A" and resid 203  and name HA  ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.53256E-02 ppm1      7.771 ppm2      4.047 CV     1
 ASSI {  671}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 198  and name HA  ))
      6.000     4.500     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.93045E-03 ppm1      8.617 ppm2      3.517 CV     1
 ASSI {  672}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 199  and name HB2 ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.54247E-02 ppm1      8.617 ppm2      2.666 CV     1
 ASSI {  673}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 198  and name HB  ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.32507E-02 ppm1      8.618 ppm2      1.970 CV     1
 ASSI {  674}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 198  and name HG11))
      6.000     4.500     0.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.60656E-03 ppm1      8.612 ppm2      1.208 CV     1
 ASSI {  675}
   (( segid "   A" and resid 199  and name HN  ))
   (  segid "   A" and resid 198  and name HG2%)
      6.000     4.500     0.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.22405E-02 ppm1      8.615 ppm2      0.890 CV     1
 ASSI {  677}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.17964E-02 ppm1      8.268 ppm2      8.782 CV     1
 ASSI {  679}
   (( segid "   A" and resid 203  and name HN  ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.74962E-03 ppm1      7.768 ppm2      8.188 CV     1
 ASSI {  680}
   (( segid "   A" and resid 258  and name HN  ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.95906E-03 ppm1      8.268 ppm2      6.928 CV     1
 ASSI {  681}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.35757E-02 ppm1      8.270 ppm2      4.826 CV     1
 ASSI {  682}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 258  and name HA  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.31942E-02 ppm1      8.269 ppm2      4.052 CV     1
 ASSI {  683}
   (( segid "   A" and resid 203  and name HN  ))
   (( segid "   A" and resid 202  and name HA  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.15774E-02 ppm1      7.772 ppm2      3.901 CV     1
 ASSI {  684}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 257  and name HB2 ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.92205E-03 ppm1      8.269 ppm2      3.535 CV     1
 ASSI {  685}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 257  and name HB1 ))
      6.000     4.500     0.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.83622E-03 ppm1      8.268 ppm2      2.718 CV     1
 ASSI {  686}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 258  and name HB1 ))
      6.000     4.500     0.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.40514E-02 ppm1      8.269 ppm2      2.176 CV     1
 ASSI {  687}
   (( segid "   A" and resid 203  and name HN  ))
   (( segid "   A" and resid 203  and name HB1 ))
      6.000     4.500     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.10567E-01 ppm1      7.771 ppm2      2.156 CV     1
 OR {  687}
   (( segid "   A" and resid 203  and name HN  ))
   (( segid "   A" and resid 203  and name HB2 ))
 ASSI {  688}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 258  and name HB2 ))
      6.000     4.500     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.28779E-02 ppm1      8.269 ppm2      1.918 CV     1
 ASSI {  689}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 234  and name HB1 ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.10373E-02 ppm1      8.271 ppm2      1.737 CV     1
 OR {  689}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 256  and name HB2 ))
 OR {  689}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 234  and name HB2 ))
 ASSI {  690}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 259  and name HG1 ))
      6.000     4.500     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.48563E-03 ppm1      8.270 ppm2      1.572 CV     1
 OR {  690}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 235  and name HB  ))
 OR {  690}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 234  and name HD2 ))
 ASSI {  691}
   (( segid "   A" and resid 203  and name HN  ))
   (  segid "   A" and resid 202  and name HB% )
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.50204E-02 ppm1      7.770 ppm2      1.538 CV     1
 ASSI {  692}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 236  and name HB2 ))
      6.000     4.500     0.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.50318E-03 ppm1      8.269 ppm2      1.468 CV     1
 ASSI {  693}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 236  and name HG2 ))
      6.000     4.500     0.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.79311E-03 ppm1      8.267 ppm2      1.314 CV     1
 OR {  693}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 236  and name HG1 ))
 ASSI {  694}
   (( segid "   A" and resid 281  and name HN  ))
   (( segid "   A" and resid 280  and name HN  ))
      6.000     4.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.48182E-03 ppm1      7.744 ppm2      9.228 CV     1
 ASSI {  695}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 283  and name HN  ))
      6.000     4.500     0.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.10109E-02 ppm1      8.580 ppm2      8.993 CV     1
 ASSI {  697}
   (( segid "   A" and resid 109  and name HN  ))
   (( segid "   A" and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.23969E-02 ppm1      7.389 ppm2      8.133 CV     1
 ASSI {  700}
   (( segid "   A" and resid 109  and name HN  ))
   (( segid "   A" and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.23477E-02 ppm1      7.388 ppm2      7.567 CV     1
 ASSI {  701}
   (( segid "   A" and resid 281  and name HN  ))
   (( segid "   A" and resid 281  and name HA  ))
      6.000     4.500     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.64090E-03 ppm1      7.746 ppm2      5.246 CV     1
 ASSI {  702}
   (( segid "   A" and resid 281  and name HN  ))
   (( segid "   A" and resid 280  and name HA  ))
      6.000     4.500     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.47152E-02 ppm1      7.744 ppm2      4.447 CV     1
 ASSI {  703}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 284  and name HA  ))
      6.000     4.500     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.31900E-02 ppm1      8.581 ppm2      4.397 CV     1
 ASSI {  704}
   (( segid "   A" and resid 109  and name HN  ))
   (( segid "   A" and resid 109  and name HA  ))
      6.000     4.500     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.42841E-02 ppm1      7.388 ppm2      4.068 CV     1
 ASSI {  705}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 283  and name HA2 ))
      6.000     4.500     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.50204E-02 ppm1      8.579 ppm2      4.005 CV     1
 ASSI {  706}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 284  and name HB2 ))
      6.000     4.500     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.38606E-02 ppm1      8.580 ppm2      1.961 CV     1
 ASSI {  707}
   (( segid "   A" and resid 109  and name HN  ))
   (( segid "   A" and resid 108  and name HB1 ))
      6.000     4.500     0.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.29645E-02 ppm1      7.386 ppm2      1.789 CV     1
 ASSI {  708}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 284  and name HG2 ))
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.50890E-02 ppm1      8.579 ppm2      1.514 CV     1
 OR {  708}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 284  and name HG1 ))
 ASSI {  709}
   (( segid "   A" and resid 109  and name HN  ))
   (  segid "   A" and resid 109  and name HB% )
      6.000     4.500     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.11147E-01 ppm1      7.388 ppm2      1.423 CV     1
 ASSI {  710}
   (( segid "   A" and resid 281  and name HN  ))
   (( segid "   A" and resid 281  and name HG2 ))
      6.000     4.500     0.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.21394E-02 ppm1      7.745 ppm2      0.956 CV     1
 ASSI {  711}
   (( segid "   A" and resid 284  and name HN  ))
   (  segid "   A" and resid 267  and name HG2%)
      6.000     4.500     0.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.54247E-02 ppm1      8.579 ppm2      0.948 CV     1
 OR {  711}
   (( segid "   A" and resid 284  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
 OR {  711}
   (( segid "   A" and resid 284  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
 ASSI {  712}
   (( segid "   A" and resid 281  and name HN  ))
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.22649E-02 ppm1      7.743 ppm2      0.856 CV     1
 ASSI {  713}
   (( segid "   A" and resid 109  and name HN  ))
   (  segid "   A" and resid 108  and name HD2%)
      6.000     4.500     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.19338E-02 ppm1      7.387 ppm2      0.821 CV     1
 OR {  713}
   (( segid "   A" and resid 109  and name HN  ))
   (  segid "   A" and resid 108  and name HD1%)
 OR {  713}
   (( segid "   A" and resid 109  and name HN  ))
   (  segid "   A" and resid 110  and name HG2%)
 ASSI {  714}
   (( segid "   A" and resid 281  and name HN  ))
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.66417E-03 ppm1      7.748 ppm2      0.348 CV     1
 OR {  714}
   (( segid "   A" and resid 281  and name HN  ))
   (  segid "   A" and resid 216  and name HG2%)
 ASSI {  718}
   (( segid "   A" and resid 205  and name HN  ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.30298E-02 ppm1      8.181 ppm2      7.443 CV     1
 ASSI {  719}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.82134E-03 ppm1      8.580 ppm2      5.033 CV     1
 ASSI {  720}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 283  and name HA1 ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.61038E-02 ppm1      8.582 ppm2      4.557 CV     1
 ASSI {  721}
   (( segid "   A" and resid 194  and name HN  ))
   (( segid "   A" and resid 194  and name HA  ))
      6.000     4.500     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.13520E-02 ppm1      7.639 ppm2      4.466 CV     1
 ASSI {  722}
   (( segid "   A" and resid 205  and name HN  ))
   (( segid "   A" and resid 206  and name HA  ))
      6.000     4.500     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.46351E-03 ppm1      8.180 ppm2      4.171 CV     1
 ASSI {  723}
   (( segid "   A" and resid 205  and name HN  ))
   (( segid "   A" and resid 204  and name HA  ))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      8.180 ppm2      4.020 CV     1
 ASSI {  724}
   (( segid "   A" and resid 205  and name HN  ))
   (( segid "   A" and resid 205  and name HA  ))
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.38606E-02 ppm1      8.181 ppm2      3.872 CV     1
 ASSI {  725}
   (( segid "   A" and resid 205  and name HN  ))
   (( segid "   A" and resid 204  and name HB2 ))
      6.000     4.500     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.28390E-02 ppm1      8.181 ppm2      2.112 CV     1
 ASSI {  726}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 284  and name HB1 ))
      6.000     4.500     0.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.57566E-02 ppm1      8.582 ppm2      1.807 CV     1
 ASSI {  727}
   (( segid "   A" and resid 205  and name HN  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.87170E-02 ppm1      8.181 ppm2      1.120 CV     1
 ASSI {  728}
   (( segid "   A" and resid 284  and name HN  ))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.11841E-02 ppm1      8.587 ppm2      0.776 CV     1
 ASSI {  729}
   (( segid "   A" and resid 181  and name HN  ))
   (( segid "   A" and resid 178  and name HN  ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.11185E-02 ppm1      7.366 ppm2      8.518 CV     1
 ASSI {  730}
   (( segid "   A" and resid 131  and name HN  ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.28303E-02 ppm1      7.720 ppm2      8.075 CV     1
 ASSI {  731}
   (( segid "   A" and resid 131  and name HN  ))
   (( segid "   A" and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.35326E-02 ppm1      7.719 ppm2      7.912 CV     1
 ASSI {  732}
   (( segid "   A" and resid 131  and name HN  ))
   (( segid "   A" and resid 131  and name HA  ))
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.37664E-02 ppm1      7.719 ppm2      4.173 CV     1
 ASSI {  733}
   (( segid "   A" and resid 194  and name HN  ))
   (( segid "   A" and resid 193  and name HA  ))
      6.000     4.500     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.51844E-03 ppm1      7.634 ppm2      4.153 CV     1
 ASSI {  734}
   (( segid "   A" and resid 131  and name HN  ))
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.18269E-02 ppm1      7.718 ppm2      3.998 CV     1
 ASSI {  735}
   (( segid "   A" and resid 131  and name HN  ))
   (( segid "   A" and resid 128  and name HA  ))
      6.000     4.500     0.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.13932E-02 ppm1      7.718 ppm2      3.689 CV     1
 ASSI {  736}
   (( segid "   A" and resid 131  and name HN  ))
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.47495E-03 ppm1      7.719 ppm2      2.829 CV     1
 ASSI {  737}
   (( segid "   A" and resid 109  and name HN  ))
   (( segid "   A" and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.88619E-03 ppm1      7.368 ppm2      2.265 CV     1
 OR {  737}
   (( segid "   A" and resid 181  and name HN  ))
   (( segid "   A" and resid 177  and name HG2 ))
 OR {  737}
   (( segid "   A" and resid 181  and name HN  ))
   (( segid "   A" and resid 177  and name HG1 ))
 ASSI {  738}
   (( segid "   A" and resid 131  and name HN  ))
   (( segid "   A" and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.39713E-02 ppm1      7.719 ppm2      2.146 CV     1
 ASSI {  740}
   (( segid "   A" and resid 194  and name HN  ))
   (( segid "   A" and resid 193  and name HB2 ))
      6.000     4.500     0.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.52073E-03 ppm1      7.640 ppm2      2.059 CV     1
 ASSI {  741}
   (( segid "   A" and resid 181  and name HN  ))
   (  segid "   A" and resid 177  and name HE% )
      6.000     4.500     0.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.22740E-02 ppm1      7.368 ppm2      1.879 CV     1
 OR {  741}
   (( segid "   A" and resid 181  and name HN  ))
   (( segid "   A" and resid 177  and name HB1 ))
 ASSI {  742}
   (( segid "   A" and resid 131  and name HN  ))
   (  segid "   A" and resid 133  and name HB% )
      6.000     4.500     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.76488E-03 ppm1      7.719 ppm2      1.559 CV     1
 ASSI {  743}
   (( segid "   A" and resid 131  and name HN  ))
   (  segid "   A" and resid 131  and name HB% )
      6.000     4.500     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.76984E-02 ppm1      7.719 ppm2      1.418 CV     1
 ASSI {  744}
   (( segid "   A" and resid 194  and name HN  ))
   (  segid "   A" and resid 194  and name HB% )
      6.000     4.500     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.39408E-02 ppm1      7.640 ppm2      1.410 CV     1
 ASSI {  745}
   (( segid "   A" and resid 194  and name HN  ))
   (  segid "   A" and resid 191  and name HG2%)
      6.000     4.500     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.68248E-03 ppm1      7.637 ppm2      0.837 CV     1
 OR {  745}
   (( segid "   A" and resid 194  and name HN  ))
   (  segid "   A" and resid 110  and name HG2%)
 OR {  745}
   (( segid "   A" and resid 194  and name HN  ))
   (  segid "   A" and resid 197  and name HG2%)
 ASSI {  746}
   (( segid "   A" and resid 131  and name HN  ))
   (  segid "   A" and resid 178  and name HD1%)
      6.000     4.500     0.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12608E-02 ppm1      7.719 ppm2      0.792 CV     1
 OR {  746}
   (( segid "   A" and resid 131  and name HN  ))
   (  segid "   A" and resid 178  and name HD2%)
 OR {  746}
   (( segid "   A" and resid 281  and name HN  ))
   (  segid "   A" and resid 272  and name HD1%)
 ASSI {  747}
   (( segid "   A" and resid 194  and name HN  ))
   (  segid "   A" and resid 110  and name HD1%)
      6.000     4.500     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.61648E-03 ppm1      7.640 ppm2      0.705 CV     1
 OR {  747}
   (( segid "   A" and resid 194  and name HN  ))
   (  segid "   A" and resid 198  and name HD1%)
 ASSI {  748}
   (( segid "   A" and resid 131  and name HN  ))
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak   748 spectrum    1 weight  0.10000E+01 volume  0.63098E-03 ppm1      7.716 ppm2      0.499 CV     1
 ASSI {  749}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.47648E-03 ppm1      8.091 ppm2      8.887 CV     1
 OR {  749}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 214  and name HN  ))
 ASSI {  750}
   (( segid "   A" and resid 211  and name HN  ))
   (( segid "   A" and resid 255  and name HN  ))
      6.000     4.500     0.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.10571E-02 ppm1      9.508 ppm2      8.762 CV     1
 ASSI {  751}
   (( segid "   A" and resid 207  and name HN  ))
   (( segid "   A" and resid 205  and name HN  ))
      6.000     4.500     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.42116E-03 ppm1      7.272 ppm2      8.182 CV     1
 ASSI {  752}
   (( segid "   A" and resid 207  and name HN  ))
   (( segid "   A" and resid 208  and name HN  ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.31164E-02 ppm1      7.273 ppm2      7.675 CV     1
 ASSI {  753}
   (( segid "   A" and resid 207  and name HN  ))
   (( segid "   A" and resid 206  and name HN  ))
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.36276E-02 ppm1      7.273 ppm2      7.440 CV     1
 ASSI {  754}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.50776E-03 ppm1      8.086 ppm2      7.401 CV     1
 ASSI {  756}
   (( segid "   A" and resid 211  and name HN  ))
   (( segid "   A" and resid 210  and name HA  ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.35757E-02 ppm1      9.507 ppm2      5.708 CV     1
 ASSI {  757}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.47648E-03 ppm1      8.082 ppm2      5.589 CV     1
 ASSI {  759}
   (( segid "   A" and resid 207  and name HN  ))
   (( segid "   A" and resid 207  and name HA  ))
      6.000     4.500     0.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.52226E-02 ppm1      7.273 ppm2      4.095 CV     1
 ASSI {  760}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 163  and name HA  ))
      6.000     4.500     0.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.81676E-03 ppm1      6.290 ppm2      4.103 CV     1
 ASSI {  761}
   (( segid "   A" and resid 207  and name HN  ))
   (( segid "   A" and resid 205  and name HA  ))
      6.000     4.500     0.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.60733E-03 ppm1      7.269 ppm2      3.838 CV     1
 ASSI {  762}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.88085E-03 ppm1      6.287 ppm2      3.276 CV     1
 ASSI {  763}
   (( segid "   A" and resid 211  and name HN  ))
   (( segid "   A" and resid 211  and name HB  ))
      6.000     4.500     0.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.64967E-03 ppm1      9.508 ppm2      1.965 CV     1
 ASSI {  764}
   (( segid "   A" and resid 207  and name HN  ))
   (( segid "   A" and resid 206  and name HB2 ))
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.40743E-02 ppm1      7.273 ppm2      1.971 CV     1
 OR {  764}
   (( segid "   A" and resid 207  and name HN  ))
   (( segid "   A" and resid 206  and name HB1 ))
 ASSI {  765}
   (( segid "   A" and resid 211  and name HN  ))
   (( segid "   A" and resid 210  and name HB2 ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.57528E-03 ppm1      9.509 ppm2      1.825 CV     1
 ASSI {  766}
   (( segid "   A" and resid 207  and name HN  ))
   (( segid "   A" and resid 206  and name HG2 ))
      6.000     4.500     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.81142E-03 ppm1      7.274 ppm2      1.731 CV     1
 ASSI {  767}
   (( segid "   A" and resid 211  and name HN  ))
   (( segid "   A" and resid 210  and name HG2 ))
      6.000     4.500     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.63708E-03 ppm1      9.508 ppm2      1.690 CV     1
 ASSI {  768}
   (( segid "   A" and resid 211  and name HN  ))
   (( segid "   A" and resid 210  and name HG1 ))
      6.000     4.500     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.85377E-03 ppm1      9.506 ppm2      1.467 CV     1
 OR {  768}
   (( segid "   A" and resid 211  and name HN  ))
   (  segid "   A" and resid 285  and name HB% )
 ASSI {  769}
   (( segid "   A" and resid 211  and name HN  ))
   (( segid "   A" and resid 211  and name HG12))
      6.000     4.500     0.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      9.506 ppm2      1.215 CV     1
 ASSI {  770}
   (( segid "   A" and resid 207  and name HN  ))
   (  segid "   A" and resid 207  and name HB% )
      6.000     4.500     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.11445E-01 ppm1      7.273 ppm2      1.127 CV     1
 ASSI {  771}
   (( segid "   A" and resid 211  and name HN  ))
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.18205E-02 ppm1      9.506 ppm2      0.961 CV     1
 ASSI {  772}
   (( segid "   A" and resid 211  and name HN  ))
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.65807E-03 ppm1      9.506 ppm2      0.710 CV     1
 ASSI {  774}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 272  and name HN  ))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.72483E-03 ppm1      7.806 ppm2      9.208 CV     1
 ASSI {  775}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.42994E-03 ppm1      7.799 ppm2      8.650 CV     1
 ASSI {  776}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 215  and name HN  ))
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.28215E-02 ppm1      8.086 ppm2      8.225 CV     1
 ASSI {  777}
   (( segid "   A" and resid 110  and name HN  ))
   (( segid "   A" and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.20226E-02 ppm1      7.573 ppm2      8.161 CV     1
 ASSI {  778}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 167  and name HN  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.59512E-03 ppm1      6.283 ppm2      7.396 CV     1
 ASSI {  779}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.53523E-03 ppm1      7.800 ppm2      7.316 CV     1
 ASSI {  780}
   (( segid "   A" and resid 110  and name HN  ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.43718E-03 ppm1      7.578 ppm2      7.218 CV     1
 ASSI {  781}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.57910E-03 ppm1      6.284 ppm2      6.792 CV     1
 OR {  781}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 252  and name HD% )
 OR {  781}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 252  and name HE% )
 ASSI {  782}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 166  and name HN  ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.37706E-02 ppm1      6.285 ppm2      5.891 CV     1
 ASSI {  783}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.98042E-03 ppm1      8.090 ppm2      5.074 CV     1
 ASSI {  784}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 270  and name HA  ))
      6.000     4.500     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.11582E-02 ppm1      7.802 ppm2      4.919 CV     1
 ASSI {  785}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 271  and name HA  ))
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.19093E-02 ppm1      7.803 ppm2      4.433 CV     1
 ASSI {  786}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 251  and name HA2 ))
      6.000     4.500     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.51234E-03 ppm1      8.089 ppm2      4.295 CV     1
 ASSI {  787}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 251  and name HA1 ))
      6.000     4.500     0.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.10357E-02 ppm1      8.087 ppm2      4.127 CV     1
 ASSI {  788}
   (( segid "   A" and resid 110  and name HN  ))
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.12791E-02 ppm1      7.570 ppm2      3.988 CV     1
 ASSI {  789}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 215  and name HA  ))
      6.000     4.500     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.30775E-02 ppm1      8.086 ppm2      3.832 CV     1
 ASSI {  790}
   (( segid "   A" and resid 110  and name HN  ))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.17987E-02 ppm1      7.573 ppm2      3.650 CV     1
 ASSI {  791}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 165  and name HA  ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.22252E-02 ppm1      6.285 ppm2      3.596 CV     1
 ASSI {  792}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 216  and name HA  ))
      6.000     4.500     0.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.12440E-02 ppm1      8.087 ppm2      3.431 CV     1
 ASSI {  793}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 271  and name HB2 ))
      6.000     4.500     0.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.46694E-02 ppm1      7.803 ppm2      2.879 CV     1
 ASSI {  794}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 162  and name HB  ))
      6.000     4.500     0.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.38950E-03 ppm1      6.282 ppm2      2.184 CV     1
 ASSI {  795}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 270  and name HB1 ))
      6.000     4.500     0.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.11841E-02 ppm1      7.803 ppm2      1.907 CV     1
 ASSI {  796}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 168  and name HG  ))
      6.000     4.500     0.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.47419E-03 ppm1      6.285 ppm2      1.883 CV     1
 OR {  796}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 163  and name HG2 ))
 ASSI {  797}
   (( segid "   A" and resid 110  and name HN  ))
   (( segid "   A" and resid 110  and name HB  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.51501E-02 ppm1      7.571 ppm2      1.850 CV     1
 ASSI {  798}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 282  and name HB  ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.11998E-02 ppm1      7.802 ppm2      1.759 CV     1
 ASSI {  799}
   (( segid "   A" and resid 110  and name HN  ))
   (( segid "   A" and resid 110  and name HG11))
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.29603E-02 ppm1      7.572 ppm2      1.685 CV     1
 ASSI {  800}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.14062E-02 ppm1      6.286 ppm2      1.438 CV     1
 ASSI {  801}
   (( segid "   A" and resid 110  and name HN  ))
   (  segid "   A" and resid 109  and name HB% )
      6.000     4.500     0.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.41544E-02 ppm1      7.573 ppm2      1.417 CV     1
 ASSI {  802}
   (( segid "   A" and resid 216  and name HN  ))
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.45664E-02 ppm1      8.087 ppm2      1.255 CV     1
 ASSI {  803}
   (( segid "   A" and resid 110  and name HN  ))
   (( segid "   A" and resid 110  and name HG12))
      6.000     4.500     0.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.15691E-02 ppm1      7.573 ppm2      1.015 CV     1
 ASSI {  804}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.13253E-02 ppm1      6.285 ppm2      1.035 CV     1
 ASSI {  805}
   (( segid "   A" and resid 216  and name HN  ))
   (  segid "   A" and resid 280  and name HD2%)
      6.000     4.500     0.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.97890E-03 ppm1      8.086 ppm2      0.856 CV     1
 ASSI {  806}
   (( segid "   A" and resid 110  and name HN  ))
   (  segid "   A" and resid 110  and name HG2%)
      6.000     4.500     0.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.33201E-02 ppm1      7.570 ppm2      0.833 CV     1
 ASSI {  807}
   (( segid "   A" and resid 165  and name HN  ))
   (( segid "   A" and resid 164  and name HB1 ))
      6.000     4.500     0.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.47304E-02 ppm1      6.285 ppm2      0.748 CV     1
 ASSI {  808}
   (( segid "   A" and resid 110  and name HN  ))
   (  segid "   A" and resid 110  and name HD1%)
      6.000     4.500     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.17335E-02 ppm1      7.571 ppm2      0.715 CV     1
 ASSI {  809}
   (( segid "   A" and resid 216  and name HN  ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      8.086 ppm2      0.641 CV     1
 ASSI {  810}
   (( segid "   A" and resid 165  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.63174E-02 ppm1      6.286 ppm2      0.628 CV     1
 ASSI {  811}
   (( segid "   A" and resid 216  and name HN  ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.52531E-02 ppm1      8.086 ppm2      0.349 CV     1
 ASSI {  812}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 251  and name HN  ))
      6.000     4.500     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.81676E-03 ppm1      8.601 ppm2     11.189 CV     1
 ASSI {  815}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 249  and name HN  ))
      6.000     4.500     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.67714E-03 ppm1      8.598 ppm2      8.479 CV     1
 ASSI {  816}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 243  and name HN  ))
      6.000     4.500     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.62182E-03 ppm1      8.599 ppm2      8.382 CV     1
 ASSI {  817}
   (( segid "   A" and resid 228  and name HN  ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.17941E-02 ppm1      7.240 ppm2      8.303 CV     1
 ASSI {  818}
   (( segid "   A" and resid 228  and name HN  ))
   (( segid "   A" and resid 227  and name HN  ))
      6.000     4.500     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.11414E-02 ppm1      7.241 ppm2      7.891 CV     1
 ASSI {  820}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.85682E-03 ppm1      8.164 ppm2      7.387 CV     1
 OR {  820}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 109  and name HN  ))
 ASSI {  821}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1      8.164 ppm2      7.208 CV     1
 ASSI {  822}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 249  and name HA  ))
      6.000     4.500     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.18765E-02 ppm1      8.599 ppm2      5.344 CV     1
 ASSI {  823}
   (( segid "   A" and resid 183  and name HN  ))
   (( segid "   A" and resid 182  and name HA  ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.42727E-02 ppm1      8.318 ppm2      4.820 CV     1
 ASSI {  824}
   (( segid "   A" and resid 222  and name HN  ))
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.59626E-02 ppm1      9.235 ppm2      4.748 CV     1
 ASSI {  825}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.13848E-02 ppm1      8.600 ppm2      4.398 CV     1
 ASSI {  826}
   (( segid "   A" and resid 222  and name HN  ))
   (( segid "   A" and resid 221  and name HB2 ))
      6.000     4.500     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.24858E-02 ppm1      9.236 ppm2      4.187 CV     1
 ASSI {  827}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 109  and name HA  ))
      6.000     4.500     0.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.49937E-03 ppm1      8.164 ppm2      4.092 CV     1
 ASSI {  828}
   (( segid "   A" and resid 228  and name HN  ))
   (( segid "   A" and resid 227  and name HB2 ))
      6.000     4.500     0.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.11029E-02 ppm1      7.241 ppm2      4.023 CV     1
 ASSI {  829}
   (( segid "   A" and resid 222  and name HN  ))
   (( segid "   A" and resid 221  and name HB1 ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.18269E-02 ppm1      9.236 ppm2      3.931 CV     1
 ASSI {  830}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 111  and name HA  ))
      6.000     4.500     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.23908E-02 ppm1      8.164 ppm2      3.887 CV     1
 ASSI {  831}
   (( segid "   A" and resid 228  and name HN  ))
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.66493E-03 ppm1      7.244 ppm2      3.799 CV     1
 ASSI {  832}
   (( segid "   A" and resid 222  and name HN  ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.19124E-02 ppm1      9.236 ppm2      3.680 CV     1
 ASSI {  833}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 110  and name HA  ))
      6.000     4.500     0.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.64166E-03 ppm1      8.166 ppm2      3.646 CV     1
 ASSI {  834}
   (( segid "   A" and resid 228  and name HN  ))
   (( segid "   A" and resid 228  and name HA  ))
      6.000     4.500     0.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      7.239 ppm2      3.559 CV     1
 ASSI {  835}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 249  and name HB1 ))
      6.000     4.500     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.13039E-02 ppm1      8.601 ppm2      3.254 CV     1
 ASSI {  836}
   (( segid "   A" and resid 222  and name HN  ))
   (( segid "   A" and resid 222  and name HB2 ))
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.22679E-02 ppm1      9.236 ppm2      2.566 CV     1
 ASSI {  837}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 249  and name HB2 ))
      6.000     4.500     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      8.601 ppm2      2.542 CV     1
 ASSI {  838}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 111  and name HG2 ))
      6.000     4.500     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.17228E-02 ppm1      8.166 ppm2      2.562 CV     1
 OR {  838}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 111  and name HG1 ))
 ASSI {  839}
   (( segid "   A" and resid 183  and name HN  ))
   (( segid "   A" and resid 182  and name HB2 ))
      6.000     4.500     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.13520E-02 ppm1      8.318 ppm2      2.486 CV     1
 OR {  839}
   (( segid "   A" and resid 183  and name HN  ))
   (( segid "   A" and resid 182  and name HB1 ))
 ASSI {  840}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 250  and name HB2 ))
      6.000     4.500     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.12547E-02 ppm1      8.601 ppm2      2.427 CV     1
 ASSI {  841}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.38606E-02 ppm1      8.164 ppm2      2.283 CV     1
 ASSI {  842}
   (( segid "   A" and resid 183  and name HN  ))
   (( segid "   A" and resid 177  and name HG2 ))
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.41162E-03 ppm1      8.314 ppm2      2.262 CV     1
 OR {  842}
   (( segid "   A" and resid 183  and name HN  ))
   (( segid "   A" and resid 177  and name HG1 ))
 ASSI {  843}
   (( segid "   A" and resid 228  and name HN  ))
   (( segid "   A" and resid 228  and name HB  ))
      6.000     4.500     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.31900E-02 ppm1      7.241 ppm2      2.044 CV     1
 ASSI {  844}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 110  and name HB  ))
      6.000     4.500     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      8.164 ppm2      1.849 CV     1
 ASSI {  845}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 242  and name HB1 ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.57299E-03 ppm1      8.594 ppm2      1.580 CV     1
 OR {  845}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 242  and name HG1 ))
 ASSI {  846}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 250  and name HG2 ))
      6.000     4.500     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.17075E-02 ppm1      8.599 ppm2      1.443 CV     1
 ASSI {  847}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 250  and name HG1 ))
      6.000     4.500     0.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.31511E-02 ppm1      8.599 ppm2      1.327 CV     1
 ASSI {  848}
   (( segid "   A" and resid 222  and name HN  ))
   (( segid "   A" and resid 240  and name HG  ))
      6.000     4.500     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.56536E-03 ppm1      9.228 ppm2      1.109 CV     1
 ASSI {  849}
   (( segid "   A" and resid 271  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
      6.000     4.500     0.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.20104E-02 ppm1      7.802 ppm2      0.956 CV     1
 OR {  849}
   (( segid "   A" and resid 271  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
 ASSI {  850}
   (( segid "   A" and resid 228  and name HN  ))
   (  segid "   A" and resid 228  and name HG1%)
      6.000     4.500     0.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.37664E-02 ppm1      7.241 ppm2      0.960 CV     1
 ASSI {  851}
   (( segid "   A" and resid 183  and name HN  ))
   (  segid "   A" and resid 183  and name HG2%)
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.28650E-02 ppm1      8.319 ppm2      0.907 CV     1
 ASSI {  852}
   (( segid "   A" and resid 111  and name HN  ))
   (  segid "   A" and resid 110  and name HG2%)
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.27784E-02 ppm1      8.163 ppm2      0.817 CV     1
 ASSI {  853}
   (( segid "   A" and resid 250  and name HN  ))
   (  segid "   A" and resid 241  and name HB% )
      6.000     4.500     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.11826E-02 ppm1      8.599 ppm2      0.756 CV     1
 OR {  853}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 240  and name HB1 ))
 ASSI {  854}
   (( segid "   A" and resid 228  and name HN  ))
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.56536E-03 ppm1      7.238 ppm2      0.603 CV     1
 OR {  854}
   (( segid "   A" and resid 228  and name HN  ))
   (  segid "   A" and resid 225  and name HD1%)
 ASSI {  855}
   (( segid "   A" and resid 228  and name HN  ))
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.12791E-02 ppm1      7.238 ppm2      0.456 CV     1
 ASSI {  856}
   (( segid "   A" and resid 222  and name HN  ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.42307E-03 ppm1      9.239 ppm2      0.056 CV     1
 ASSI {  857}
   (( segid "   A" and resid 222  and name HN  ))
   (  segid "   A" and resid 240  and name HD1%)
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.20165E-02 ppm1      9.234 ppm2     -0.110 CV     1
 ASSI {  858}
   (( segid "   A" and resid 183  and name HN  ))
   (( segid "   A" and resid 181  and name HN  ))
      6.000     4.500     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.39369E-03 ppm1      8.321 ppm2      7.370 CV     1
 ASSI {  859}
   (( segid "   A" and resid 183  and name HN  ))
   (( segid "   A" and resid 183  and name HB  ))
      6.000     4.500     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.11445E-02 ppm1      8.319 ppm2      1.996 CV     1
 ASSI {  860}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 250  and name HD1 ))
      6.000     4.500     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.51615E-03 ppm1      8.591 ppm2      1.737 CV     1
 ASSI {  861}
   (( segid "   A" and resid 183  and name HN  ))
   (( segid "   A" and resid 183  and name HG12))
      6.000     4.500     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.37229E-02 ppm1      8.318 ppm2      1.486 CV     1
 ASSI {  864}
   (( segid "   A" and resid 108  and name HN  ))
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.34715E-02 ppm1      8.116 ppm2      3.954 CV     1
 ASSI {  865}
   (( segid "   A" and resid 108  and name HN  ))
   (( segid "   A" and resid 108  and name HB1 ))
      6.000     4.500     0.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.39598E-02 ppm1      8.117 ppm2      1.775 CV     1
 ASSI {  866}
   (( segid "   A" and resid 108  and name HN  ))
   (( segid "   A" and resid 108  and name HG  ))
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.42917E-02 ppm1      8.117 ppm2      1.702 CV     1
 ASSI {  867}
   (( segid "   A" and resid 108  and name HN  ))
   (( segid "   A" and resid 108  and name HB2 ))
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.64395E-02 ppm1      8.117 ppm2      1.444 CV     1
 ASSI {  868}
   (( segid "   A" and resid 108  and name HN  ))
   (  segid "   A" and resid 108  and name HD1%)
      6.000     4.500     0.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.40323E-02 ppm1      8.117 ppm2      0.820 CV     1
 ASSI {  869}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 276  and name HN  ))
      6.000     4.500     0.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.39789E-03 ppm1      7.090 ppm2      9.019 CV     1
 ASSI {  870}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 277  and name HN  ))
      6.000     4.500     0.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.45740E-02 ppm1      7.087 ppm2      8.446 CV     1
 ASSI {  872}
   (( segid "   A" and resid 127  and name HN  ))
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.58749E-03 ppm1      7.604 ppm2      7.412 CV     1
 ASSI {  873}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 275  and name HA  ))
      6.000     4.500     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.11735E-02 ppm1      7.086 ppm2      4.760 CV     1
 OR {  873}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 279  and name HA  ))
 ASSI {  874}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 278  and name HA  ))
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.42803E-02 ppm1      7.087 ppm2      4.313 CV     1
 ASSI {  875}
   (( segid "   A" and resid 127  and name HN  ))
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.71720E-03 ppm1      7.607 ppm2      4.145 CV     1
 ASSI {  876}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 277  and name HA1 ))
      6.000     4.500     0.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.17270E-02 ppm1      7.088 ppm2      4.041 CV     1
 ASSI {  877}
   (( segid "   A" and resid 127  and name HN  ))
   (( segid "   A" and resid 127  and name HA  ))
      6.000     4.500     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.64891E-03 ppm1      7.608 ppm2      3.971 CV     1
 ASSI {  878}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 277  and name HA2 ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.21852E-02 ppm1      7.086 ppm2      3.548 CV     1
 ASSI {  879}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.16492E-02 ppm1      7.086 ppm2      2.231 CV     1
 ASSI {  880}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 278  and name HB2 ))
      6.000     4.500     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.22252E-02 ppm1      7.088 ppm2      2.102 CV     1
 ASSI {  881}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.26960E-02 ppm1      7.087 ppm2      1.922 CV     1
 ASSI {  882}
   (( segid "   A" and resid 127  and name HN  ))
   (  segid "   A" and resid 127  and name HG2%)
      6.000     4.500     0.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.64242E-03 ppm1      7.604 ppm2      1.293 CV     1
 ASSI {  885}
   (( segid "   A" and resid 114  and name HN  ))
   (( segid "   A" and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.47381E-02 ppm1      9.060 ppm2      5.334 CV     1
 ASSI {  886}
   (( segid "   A" and resid 114  and name HN  ))
   (( segid "   A" and resid 159  and name HA  ))
      6.000     4.500     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.12364E-02 ppm1      9.061 ppm2      4.984 CV     1
 ASSI {  887}
   (( segid "   A" and resid 114  and name HN  ))
   (( segid "   A" and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.90336E-03 ppm1      9.061 ppm2      4.710 CV     1
 ASSI {  888}
   (( segid "   A" and resid 114  and name HN  ))
   (( segid "   A" and resid 114  and name HB  ))
      6.000     4.500     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.16362E-02 ppm1      9.059 ppm2      2.057 CV     1
 ASSI {  889}
   (( segid "   A" and resid 114  and name HN  ))
   (( segid "   A" and resid 113  and name HB2 ))
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.19368E-02 ppm1      9.061 ppm2      1.716 CV     1
 ASSI {  891}
   (( segid "   A" and resid 114  and name HN  ))
   (  segid "   A" and resid 114  and name HG1%)
      6.000     4.500     0.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.34326E-02 ppm1      9.061 ppm2      0.871 CV     1
 ASSI {  895}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 171  and name HN  ))
      6.000     4.500     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.22222E-02 ppm1      7.981 ppm2      7.571 CV     1
 ASSI {  896}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 168  and name HN  ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.64090E-03 ppm1      7.982 ppm2      7.425 CV     1
 ASSI {  897}
   (( segid "   A" and resid 166  and name HN  ))
   (( segid "   A" and resid 167  and name HN  ))
      6.000     4.500     0.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.16251E-02 ppm1      5.890 ppm2      7.388 CV     1
 ASSI {  899}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.90145E-03 ppm1      7.301 ppm2      4.336 CV     1
 ASSI {  900}
   (( segid "   A" and resid 166  and name HN  ))
   (( segid "   A" and resid 163  and name HA  ))
      6.000     4.500     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.91214E-03 ppm1      5.891 ppm2      4.117 CV     1
 ASSI {  901}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.57528E-03 ppm1      7.982 ppm2      4.001 CV     1
 ASSI {  902}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 225  and name HA  ))
      6.000     4.500     0.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.10800E-02 ppm1      7.301 ppm2      3.805 CV     1
 ASSI {  903}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.33720E-02 ppm1      7.981 ppm2      3.707 CV     1
 ASSI {  904}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 222  and name HA  ))
      6.000     4.500     0.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.43718E-03 ppm1      7.302 ppm2      3.668 CV     1
 ASSI {  905}
   (( segid "   A" and resid 166  and name HN  ))
   (( segid "   A" and resid 166  and name HA  ))
      6.000     4.500     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.18830E-02 ppm1      5.891 ppm2      3.610 CV     1
 ASSI {  906}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 224  and name HB1 ))
      6.000     4.500     0.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.94265E-03 ppm1      7.299 ppm2      2.984 CV     1
 ASSI {  907}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.10586E-02 ppm1      7.307 ppm2      2.493 CV     1
 ASSI {  908}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 169  and name HA  ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      7.981 ppm2      2.356 CV     1
 ASSI {  909}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 171  and name HB1 ))
      6.000     4.500     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.45168E-03 ppm1      7.983 ppm2      2.144 CV     1
 OR {  909}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 167  and name HG1 ))
 ASSI {  910}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 171  and name HB2 ))
      6.000     4.500     0.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.41773E-03 ppm1      7.981 ppm2      2.011 CV     1
 ASSI {  911}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 226  and name HB1 ))
      6.000     4.500     0.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.51539E-03 ppm1      7.304 ppm2      1.933 CV     1
 OR {  911}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 226  and name HB2 ))
 ASSI {  912}
   (( segid "   A" and resid 166  and name HN  ))
   (( segid "   A" and resid 168  and name HG  ))
      6.000     4.500     0.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.40132E-03 ppm1      5.891 ppm2      1.882 CV     1
 OR {  912}
   (( segid "   A" and resid 166  and name HN  ))
   (( segid "   A" and resid 163  and name HG2 ))
 ASSI {  913}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 225  and name HB  ))
      6.000     4.500     0.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.24949E-02 ppm1      7.303 ppm2      1.810 CV     1
 ASSI {  914}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 170  and name HB2 ))
      6.000     4.500     0.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.47495E-02 ppm1      7.982 ppm2      1.763 CV     1
 ASSI {  915}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 170  and name HB1 ))
      6.000     4.500     0.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.34715E-02 ppm1      7.981 ppm2      1.550 CV     1
 ASSI {  916}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 225  and name HG12))
      6.000     4.500     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.16923E-02 ppm1      7.302 ppm2      1.496 CV     1
 ASSI {  917}
   (( segid "   A" and resid 166  and name HN  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.42917E-02 ppm1      5.890 ppm2      1.436 CV     1
 ASSI {  918}
   (( segid "   A" and resid 170  and name HN  ))
   (  segid "   A" and resid 169  and name HB% )
      6.000     4.500     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.34979E-02 ppm1      7.981 ppm2      1.320 CV     1
 ASSI {  919}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 225  and name HG11))
      6.000     4.500     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.13024E-02 ppm1      7.301 ppm2      1.003 CV     1
 ASSI {  920}
   (( segid "   A" and resid 170  and name HN  ))
   (  segid "   A" and resid 114  and name HG2%)
      6.000     4.500     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.19399E-02 ppm1      7.981 ppm2      0.905 CV     1
 ASSI {  921}
   (( segid "   A" and resid 170  and name HN  ))
   (  segid "   A" and resid 170  and name HD1%)
      6.000     4.500     0.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      7.982 ppm2      0.769 CV     1
 ASSI {  922}
   (( segid "   A" and resid 166  and name HN  ))
   (  segid "   A" and resid 162  and name HG2%)
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.77900E-03 ppm1      5.894 ppm2      0.754 CV     1
 OR {  922}
   (( segid "   A" and resid 166  and name HN  ))
   (( segid "   A" and resid 164  and name HB1 ))
 ASSI {  923}
   (( segid "   A" and resid 168  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.54286E-03 ppm1      7.439 ppm2      0.638 CV     1
 ASSI {  924}
   (( segid "   A" and resid 225  and name HN  ))
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.21424E-02 ppm1      7.304 ppm2      0.605 CV     1
 ASSI {  925}
   (( segid "   A" and resid 166  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.22679E-02 ppm1      5.889 ppm2      0.626 CV     1
 ASSI {  930}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.64319E-03 ppm1      7.676 ppm2      7.347 CV     1
 OR {  930}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 264  and name HN  ))
 ASSI {  931}
   (( segid "   A" and resid 166  and name HN  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.65425E-03 ppm1      5.888 ppm2      6.778 CV     1
 ASSI {  932}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 196  and name HA  ))
      6.000     4.500     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.11185E-02 ppm1      7.124 ppm2      4.434 CV     1
 ASSI {  933}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 265  and name HA  ))
      6.000     4.500     0.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.55621E-03 ppm1      7.680 ppm2      4.196 CV     1
 ASSI {  934}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 197  and name HA  ))
      6.000     4.500     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.27566E-02 ppm1      7.125 ppm2      3.851 CV     1
 ASSI {  935}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 196  and name HD2 ))
      6.000     4.500     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.52683E-03 ppm1      7.122 ppm2      3.663 CV     1
 ASSI {  936}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 167  and name HA  ))
      6.000     4.500     0.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.11582E-02 ppm1      7.441 ppm2      3.662 CV     1
 ASSI {  937}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 196  and name HD1 ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.15427E-02 ppm1      7.125 ppm2      3.495 CV     1
 ASSI {  938}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 196  and name HB2 ))
      6.000     4.500     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.98195E-03 ppm1      7.124 ppm2      2.355 CV     1
 ASSI {  939}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 167  and name HG2 ))
      6.000     4.500     0.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.99416E-03 ppm1      7.441 ppm2      2.316 CV     1
 ASSI {  940}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 200  and name HB2 ))
      6.000     4.500     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.46694E-03 ppm1      7.127 ppm2      2.166 CV     1
 ASSI {  941}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 197  and name HB  ))
      6.000     4.500     0.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.59893E-02 ppm1      7.125 ppm2      1.968 CV     1
 ASSI {  942}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 196  and name HB1 ))
      6.000     4.500     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.12963E-02 ppm1      7.125 ppm2      1.736 CV     1
 ASSI {  944}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 168  and name HB1 ))
      6.000     4.500     0.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.22771E-02 ppm1      7.441 ppm2      1.505 CV     1
 ASSI {  945}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 197  and name HG12))
      6.000     4.500     0.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.37706E-02 ppm1      7.125 ppm2      1.440 CV     1
 ASSI {  946}
   (( segid "   A" and resid 168  and name HN  ))
   (  segid "   A" and resid 169  and name HB% )
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.87094E-03 ppm1      7.438 ppm2      1.316 CV     1
 ASSI {  947}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 197  and name HG11))
      6.000     4.500     0.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.23660E-02 ppm1      7.125 ppm2      1.293 CV     1
 ASSI {  948}
   (( segid "   A" and resid 168  and name HN  ))
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.14886E-02 ppm1      7.440 ppm2      0.990 CV     1
 ASSI {  949}
   (( segid "   A" and resid 168  and name HN  ))
   (  segid "   A" and resid 168  and name HD1%)
      6.000     4.500     0.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.15927E-02 ppm1      7.440 ppm2      0.873 CV     1
 ASSI {  950}
   (( segid "   A" and resid 225  and name HN  ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.50242E-03 ppm1      7.306 ppm2      0.887 CV     1
 ASSI {  951}
   (( segid "   A" and resid 166  and name HN  ))
   (  segid "   A" and resid 114  and name HG2%)
      6.000     4.500     0.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.56002E-03 ppm1      5.890 ppm2      0.879 CV     1
 OR {  951}
   (( segid "   A" and resid 166  and name HN  ))
   (  segid "   A" and resid 168  and name HD1%)
 ASSI {  952}
   (( segid "   A" and resid 197  and name HN  ))
   (  segid "   A" and resid 197  and name HG2%)
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.24732E-02 ppm1      7.125 ppm2      0.839 CV     1
 ASSI {  953}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 164  and name HB2 ))
      6.000     4.500     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.70728E-03 ppm1      7.438 ppm2      0.769 CV     1
 OR {  953}
   (( segid "   A" and resid 168  and name HN  ))
   (  segid "   A" and resid 286  and name HG1%)
 OR {  953}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 164  and name HB1 ))
 OR {  953}
   (( segid "   A" and resid 168  and name HN  ))
   (  segid "   A" and resid 170  and name HD2%)
 ASSI {  955}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.48716E-03 ppm1      7.687 ppm2      8.313 CV     1
 ASSI {  958}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 200  and name HN  ))
      6.000     4.500     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.40628E-03 ppm1      7.127 ppm2      7.646 CV     1
 OR {  958}
   (( segid "   A" and resid 197  and name HN  ))
   (( segid "   A" and resid 194  and name HN  ))
 ASSI {  959}
   (( segid "   A" and resid 234  and name HN  ))
   (( segid "   A" and resid 233  and name HN  ))
      6.000     4.500     0.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.58749E-03 ppm1      8.016 ppm2      7.588 CV     1
 ASSI {  961}
   (( segid "   A" and resid 234  and name HN  ))
   (( segid "   A" and resid 234  and name HA  ))
      6.000     4.500     0.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.12822E-02 ppm1      8.019 ppm2      4.237 CV     1
 ASSI {  962}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 206  and name HA  ))
      6.000     4.500     0.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.52454E-02 ppm1      7.448 ppm2      4.170 CV     1
 ASSI {  963}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.33243E-02 ppm1      7.444 ppm2      4.023 CV     1
 OR {  963}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 203  and name HA  ))
 ASSI {  964}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.16686E-02 ppm1      7.681 ppm2      3.910 CV     1
 ASSI {  965}
   (( segid "   A" and resid 234  and name HN  ))
   (( segid "   A" and resid 233  and name HA2 ))
      6.000     4.500     0.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.22988E-02 ppm1      8.020 ppm2      3.867 CV     1
 ASSI {  966}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 205  and name HA  ))
      6.000     4.500     0.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      7.447 ppm2      3.856 CV     1
 ASSI {  967}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.29821E-02 ppm1      7.681 ppm2      3.447 CV     1
 ASSI {  968}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.14043E-02 ppm1      7.447 ppm2      3.250 CV     1
 OR {  968}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 206  and name HD1 ))
 OR {  968}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 206  and name HD2 ))
 ASSI {  969}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 266  and name HA  ))
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.10922E-02 ppm1      7.681 ppm2      2.367 CV     1
 ASSI {  970}
   (( segid "   A" and resid 234  and name HN  ))
   (( segid "   A" and resid 258  and name HG1 ))
      6.000     4.500     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.67371E-03 ppm1      8.020 ppm2      2.182 CV     1
 ASSI {  971}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 167  and name HG1 ))
      6.000     4.500     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.15256E-02 ppm1      7.445 ppm2      2.129 CV     1
 OR {  971}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 203  and name HB2 ))
 OR {  971}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 204  and name HB2 ))
 ASSI {  972}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 267  and name HB  ))
      6.000     4.500     0.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.59741E-02 ppm1      7.681 ppm2      2.038 CV     1
 ASSI {  973}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 206  and name HB2 ))
      6.000     4.500     0.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.15252E-01 ppm1      7.447 ppm2      1.966 CV     1
 ASSI {  974}
   (( segid "   A" and resid 234  and name HN  ))
   (( segid "   A" and resid 234  and name HB2 ))
      6.000     4.500     0.000 peak   974 spectrum    1 weight  0.10000E+01 volume  0.50204E-02 ppm1      8.019 ppm2      1.750 CV     1
 OR {  974}
   (( segid "   A" and resid 234  and name HN  ))
   (( segid "   A" and resid 234  and name HB1 ))
 ASSI {  975}
   (( segid "   A" and resid 206  and name HN  ))
   (( segid "   A" and resid 206  and name HG2 ))
      6.000     4.500     0.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.30557E-02 ppm1      7.447 ppm2      1.734 CV     1
 ASSI {  976}
   (( segid "   A" and resid 234  and name HN  ))
   (( segid "   A" and resid 234  and name HG2 ))
      6.000     4.500     0.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.10109E-02 ppm1      8.018 ppm2      1.458 CV     1
 ASSI {  977}
   (( segid "   A" and resid 234  and name HN  ))
   (( segid "   A" and resid 234  and name HG1 ))
      6.000     4.500     0.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.81791E-03 ppm1      8.018 ppm2      1.361 CV     1
 ASSI {  978}
   (( segid "   A" and resid 267  and name HN  ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.37317E-02 ppm1      7.681 ppm2      1.223 CV     1
 ASSI {  979}
   (( segid "   A" and resid 206  and name HN  ))
   (  segid "   A" and resid 205  and name HB% )
      6.000     4.500     0.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.48373E-02 ppm1      7.448 ppm2      1.121 CV     1
 ASSI {  980}
   (( segid "   A" and resid 267  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
      6.000     4.500     0.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.93541E-02 ppm1      7.681 ppm2      0.956 CV     1
 ASSI {  981}
   (( segid "   A" and resid 267  and name HN  ))
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.63479E-03 ppm1      7.681 ppm2      0.719 CV     1
 ASSI {  984}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 172  and name HN  ))
      6.000     4.500     0.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.18941E-02 ppm1      7.570 ppm2      8.149 CV     1
 ASSI {  985}
   (( segid "   A" and resid 174  and name HN  ))
   (( segid "   A" and resid 173  and name HN  ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.11490E-02 ppm1      7.158 ppm2      8.071 CV     1
 ASSI {  987}
   (( segid "   A" and resid 223  and name HN  ))
   (( segid "   A" and resid 224  and name HN  ))
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.43642E-03 ppm1      8.238 ppm2      7.614 CV     1
 ASSI {  988}
   (( segid "   A" and resid 259  and name HN  ))
   (  segid "   A" and resid 257  and name HD% )
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.88085E-03 ppm1      8.775 ppm2      6.921 CV     1
 ASSI {  989}
   (( segid "   A" and resid 174  and name HN  ))
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.95753E-03 ppm1      7.161 ppm2      5.007 CV     1
 ASSI {  991}
   (( segid "   A" and resid 174  and name HN  ))
   (( segid "   A" and resid 174  and name HA  ))
      6.000     4.500     0.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.12578E-02 ppm1      7.160 ppm2      4.436 CV     1
 ASSI {  992}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.43375E-03 ppm1      9.327 ppm2      4.337 CV     1
 ASSI {  993}
   (( segid "   A" and resid 259  and name HN  ))
   (( segid "   A" and resid 258  and name HA  ))
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.10663E-02 ppm1      8.774 ppm2      4.051 CV     1
 ASSI {  994}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 171  and name HA  ))
      6.000     4.500     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.35585E-02 ppm1      7.571 ppm2      4.006 CV     1
 ASSI {  995}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 170  and name HA  ))
      6.000     4.500     0.000 peak   995 spectrum    1 weight  0.10000E+01 volume  0.12715E-02 ppm1      7.571 ppm2      3.711 CV     1
 ASSI {  996}
   (( segid "   A" and resid 259  and name HN  ))
   (( segid "   A" and resid 257  and name HB2 ))
      6.000     4.500     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.14996E-02 ppm1      8.773 ppm2      3.531 CV     1
 ASSI {  997}
   (( segid "   A" and resid 174  and name HN  ))
   (( segid "   A" and resid 174  and name HB2 ))
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.17163E-02 ppm1      7.158 ppm2      2.939 CV     1
 ASSI {  998}
   (( segid "   A" and resid 174  and name HN  ))
   (( segid "   A" and resid 174  and name HB1 ))
      6.000     4.500     0.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.16469E-02 ppm1      7.159 ppm2      2.862 CV     1
 ASSI {  999}
   (( segid "   A" and resid 259  and name HN  ))
   (( segid "   A" and resid 257  and name HB1 ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.93388E-03 ppm1      8.773 ppm2      2.720 CV     1
 ASSI { 1000}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 171  and name HG2 ))
      6.000     4.500     0.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.25010E-02 ppm1      7.569 ppm2      2.627 CV     1
 ASSI { 1001}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 169  and name HA  ))
      6.000     4.500     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.77442E-03 ppm1      7.570 ppm2      2.367 CV     1
 ASSI { 1002}
   (( segid "   A" and resid 259  and name HN  ))
   (( segid "   A" and resid 258  and name HB1 ))
      6.000     4.500     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.24030E-02 ppm1      8.774 ppm2      2.179 CV     1
 ASSI { 1003}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 171  and name HB1 ))
      6.000     4.500     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.32636E-02 ppm1      7.563 ppm2      2.141 CV     1
 ASSI { 1004}
   (( segid "   A" and resid 174  and name HN  ))
   (( segid "   A" and resid 173  and name HB2 ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.37653E-03 ppm1      7.155 ppm2      2.111 CV     1
 ASSI { 1005}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 171  and name HB2 ))
      6.000     4.500     0.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.24980E-02 ppm1      7.572 ppm2      2.026 CV     1
 ASSI { 1007}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.69316E-03 ppm1      7.570 ppm2      1.863 CV     1
 OR { 1007}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 168  and name HB2 ))
 OR { 1007}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 168  and name HG  ))
 ASSI { 1008}
   (( segid "   A" and resid 174  and name HN  ))
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.61801E-03 ppm1      7.158 ppm2      1.871 CV     1
 ASSI { 1009}
   (( segid "   A" and resid 259  and name HN  ))
   (( segid "   A" and resid 259  and name HD2 ))
      6.000     4.500     0.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.11628E-02 ppm1      8.775 ppm2      1.742 CV     1
 OR { 1009}
   (( segid "   A" and resid 259  and name HN  ))
   (( segid "   A" and resid 259  and name HD1 ))
 ASSI { 1010}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 170  and name HB2 ))
      6.000     4.500     0.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.21146E-02 ppm1      7.571 ppm2      1.738 CV     1
 ASSI { 1011}
   (( segid "   A" and resid 259  and name HN  ))
   (( segid "   A" and resid 259  and name HG1 ))
      6.000     4.500     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.14474E-02 ppm1      8.773 ppm2      1.555 CV     1
 ASSI { 1012}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 170  and name HB1 ))
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.18910E-02 ppm1      7.570 ppm2      1.549 CV     1
 ASSI { 1013}
   (( segid "   A" and resid 259  and name HN  ))
   (( segid "   A" and resid 259  and name HG2 ))
      6.000     4.500     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.13436E-02 ppm1      8.774 ppm2      1.456 CV     1
 ASSI { 1014}
   (( segid "   A" and resid 174  and name HN  ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.93617E-03 ppm1      7.161 ppm2      0.970 CV     1
 OR { 1014}
   (( segid "   A" and resid 174  and name HN  ))
   (  segid "   A" and resid 185  and name HG1%)
 ASSI { 1015}
   (( segid "   A" and resid 171  and name HN  ))
   (  segid "   A" and resid 114  and name HG2%)
      6.000     4.500     0.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.60885E-03 ppm1      7.567 ppm2      0.895 CV     1
 OR { 1015}
   (( segid "   A" and resid 171  and name HN  ))
   (  segid "   A" and resid 168  and name HD1%)
 ASSI { 1016}
   (( segid "   A" and resid 171  and name HN  ))
   (  segid "   A" and resid 170  and name HD1%)
      6.000     4.500     0.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.89039E-03 ppm1      7.569 ppm2      0.774 CV     1
 ASSI { 1018}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 224  and name HN  ))
      6.000     4.500     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.66722E-03 ppm1      9.334 ppm2      7.601 CV     1
 ASSI { 1019}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 221  and name HA  ))
      6.000     4.500     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.20658E-02 ppm1      9.333 ppm2      4.749 CV     1
 ASSI { 1020}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 220  and name HA  ))
      6.000     4.500     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.39675E-02 ppm1      9.332 ppm2      4.584 CV     1
 ASSI { 1021}
   (( segid "   A" and resid 223  and name HN  ))
   (( segid "   A" and resid 223  and name HA  ))
      6.000     4.500     0.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.71376E-03 ppm1      8.249 ppm2      4.352 CV     1
 ASSI { 1022}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 221  and name HB2 ))
      6.000     4.500     0.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.71300E-03 ppm1      9.332 ppm2      4.183 CV     1
 ASSI { 1023}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 221  and name HB1 ))
      6.000     4.500     0.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.10510E-02 ppm1      9.335 ppm2      3.935 CV     1
 ASSI { 1024}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 224  and name HB1 ))
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.15645E-02 ppm1      9.333 ppm2      2.983 CV     1
 ASSI { 1025}
   (( segid "   A" and resid 223  and name HN  ))
   (( segid "   A" and resid 223  and name HB1 ))
      6.000     4.500     0.000 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.10968E-02 ppm1      8.246 ppm2      2.584 CV     1
 ASSI { 1026}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 224  and name HB2 ))
      6.000     4.500     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.14172E-02 ppm1      9.335 ppm2      2.496 CV     1
 ASSI { 1027}
   (( segid "   A" and resid 223  and name HN  ))
   (( segid "   A" and resid 223  and name HB2 ))
      6.000     4.500     0.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.73894E-03 ppm1      8.241 ppm2      2.491 CV     1
 ASSI { 1028}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 220  and name HB1 ))
      6.000     4.500     0.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.91748E-03 ppm1      9.332 ppm2      1.963 CV     1
 ASSI { 1029}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 220  and name HG  ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.40552E-03 ppm1      9.336 ppm2      1.592 CV     1
 ASSI { 1030}
   (( segid "   A" and resid 171  and name HN  ))
   (  segid "   A" and resid 169  and name HB% )
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.48640E-03 ppm1      7.572 ppm2      1.322 CV     1
 ASSI { 1031}
   (( segid "   A" and resid 221  and name HN  ))
   (( segid "   A" and resid 220  and name HB2 ))
      6.000     4.500     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      9.332 ppm2      1.264 CV     1
 ASSI { 1032}
   (( segid "   A" and resid 221  and name HN  ))
   (  segid "   A" and resid 220  and name HD2%)
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.98805E-03 ppm1      9.333 ppm2      0.885 CV     1
 ASSI { 1033}
   (( segid "   A" and resid 221  and name HN  ))
   (  segid "   A" and resid 220  and name HD1%)
      6.000     4.500     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.23263E-02 ppm1      9.333 ppm2      0.675 CV     1
 ASSI { 1034}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.38950E-03 ppm1      7.390 ppm2      7.694 CV     1
 ASSI { 1035}
   (( segid "   A" and resid 270  and name HN  ))
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.42765E-03 ppm1      7.717 ppm2      6.730 CV     1
 ASSI { 1038}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 167  and name HA  ))
      6.000     4.500     0.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.25930E-02 ppm1      7.382 ppm2      3.669 CV     1
 ASSI { 1039}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 164  and name HA  ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.90145E-03 ppm1      7.380 ppm2      3.282 CV     1
 ASSI { 1040}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 167  and name HG2 ))
      6.000     4.500     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      7.380 ppm2      2.311 CV     1
 ASSI { 1041}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 167  and name HG1 ))
      6.000     4.500     0.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.12181E-02 ppm1      7.381 ppm2      2.132 CV     1
 ASSI { 1042}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 167  and name HB2 ))
      6.000     4.500     0.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.39484E-02 ppm1      7.381 ppm2      1.928 CV     1
 OR { 1042}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 167  and name HB1 ))
 ASSI { 1043}
   (( segid "   A" and resid 167  and name HN  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.32335E-02 ppm1      7.381 ppm2      1.439 CV     1
 ASSI { 1044}
   (( segid "   A" and resid 167  and name HN  ))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.12013E-02 ppm1      7.381 ppm2      0.764 CV     1
 OR { 1044}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 164  and name HB2 ))
 OR { 1044}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 164  and name HB1 ))
 OR { 1044}
   (( segid "   A" and resid 167  and name HN  ))
   (  segid "   A" and resid 162  and name HG2%)
 ASSI { 1045}
   (( segid "   A" and resid 157  and name HN  ))
   (  segid "   A" and resid 141  and name HG2%)
      6.000     4.500     0.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.44939E-03 ppm1      8.428 ppm2      0.558 CV     1
 ASSI { 1047}
   (( segid "   A" and resid 173  and name HN  ))
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.56155E-03 ppm1      8.074 ppm2      7.322 CV     1
 OR { 1047}
   (( segid "   A" and resid 173  and name HN  ))
   (( segid "   A" and resid 176  and name HN  ))
 ASSI { 1048}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.26387E-02 ppm1      7.725 ppm2      7.332 CV     1
 ASSI { 1049}
   (( segid "   A" and resid 157  and name HN  ))
   (  segid "   A" and resid 157  and name HD% )
      6.000     4.500     0.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.87856E-03 ppm1      8.423 ppm2      7.157 CV     1
 ASSI { 1050}
   (( segid "   A" and resid 270  and name HN  ))
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.72025E-03 ppm1      7.722 ppm2      7.030 CV     1
 ASSI { 1051}
   (( segid "   A" and resid 157  and name HN  ))
   (( segid "   A" and resid 157  and name HA  ))
      6.000     4.500     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.85491E-03 ppm1      8.423 ppm2      5.427 CV     1
 ASSI { 1052}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 270  and name HA  ))
      6.000     4.500     0.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.17293E-02 ppm1      7.723 ppm2      4.918 CV     1
 ASSI { 1053}
   (( segid "   A" and resid 157  and name HN  ))
   (( segid "   A" and resid 156  and name HA  ))
      6.000     4.500     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.37229E-02 ppm1      8.425 ppm2      4.746 CV     1
 ASSI { 1054}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 269  and name HA  ))
      6.000     4.500     0.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.87742E-03 ppm1      7.724 ppm2      4.550 CV     1
 ASSI { 1055}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 163  and name HA  ))
      6.000     4.500     0.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.38072E-03 ppm1      7.378 ppm2      4.124 CV     1
 ASSI { 1056}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 269  and name HB2 ))
      6.000     4.500     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.96974E-03 ppm1      7.723 ppm2      3.497 CV     1
 ASSI { 1057}
   (( segid "   A" and resid 157  and name HN  ))
   (( segid "   A" and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      8.425 ppm2      2.899 CV     1
 ASSI { 1059}
   (( segid "   A" and resid 157  and name HN  ))
   (( segid "   A" and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.58520E-03 ppm1      8.424 ppm2      2.586 CV     1
 ASSI { 1060}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 266  and name HA  ))
      6.000     4.500     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.55468E-03 ppm1      7.722 ppm2      2.376 CV     1
 ASSI { 1061}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 270  and name HB1 ))
      6.000     4.500     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.38492E-02 ppm1      7.724 ppm2      1.913 CV     1
 ASSI { 1062}
   (( segid "   A" and resid 167  and name HN  ))
   (( segid "   A" and resid 170  and name HB2 ))
      6.000     4.500     0.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.52378E-03 ppm1      7.379 ppm2      1.737 CV     1
 ASSI { 1063}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 270  and name HG1 ))
      6.000     4.500     0.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.11109E-02 ppm1      7.727 ppm2      1.586 CV     1
 ASSI { 1064}
   (( segid "   A" and resid 270  and name HN  ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.38988E-03 ppm1      7.726 ppm2      1.231 CV     1
 ASSI { 1065}
   (( segid "   A" and resid 270  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
      6.000     4.500     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.16381E-02 ppm1      7.723 ppm2      0.962 CV     1
 OR { 1065}
   (( segid "   A" and resid 270  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
 ASSI { 1066}
   (( segid "   A" and resid 157  and name HN  ))
   (  segid "   A" and resid 156  and name HB% )
      6.000     4.500     0.000 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.28562E-02 ppm1      8.425 ppm2      0.815 CV     1
 ASSI { 1067}
   (( segid "   A" and resid 167  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.71948E-03 ppm1      7.380 ppm2      0.628 CV     1
 ASSI { 1068}
   (( segid "   A" and resid 270  and name HN  ))
   (  segid "   A" and resid 270  and name HE% )
      6.000     4.500     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.59817E-03 ppm1      7.726 ppm2      0.157 CV     1
 ASSI { 1069}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.80608E-03 ppm1      7.907 ppm2      8.045 CV     1
 ASSI { 1070}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.44100E-03 ppm1      7.906 ppm2      7.404 CV     1
 ASSI { 1072}
   (( segid "   A" and resid 173  and name HN  ))
   (( segid "   A" and resid 173  and name HA  ))
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.16923E-02 ppm1      8.073 ppm2      5.015 CV     1
 ASSI { 1073}
   (( segid "   A" and resid 173  and name HN  ))
   (( segid "   A" and resid 172  and name HA  ))
      6.000     4.500     0.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.94838E-03 ppm1      8.073 ppm2      4.435 CV     1
 ASSI { 1074}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 126  and name HA  ))
      6.000     4.500     0.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.48868E-03 ppm1      7.903 ppm2      4.340 CV     1
 ASSI { 1075}
   (( segid "   A" and resid 173  and name HN  ))
   (( segid "   A" and resid 172  and name HB1 ))
      6.000     4.500     0.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.17381E-02 ppm1      8.072 ppm2      2.360 CV     1
 ASSI { 1076}
   (( segid "   A" and resid 173  and name HN  ))
   (( segid "   A" and resid 173  and name HB2 ))
      6.000     4.500     0.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.23355E-02 ppm1      8.071 ppm2      2.120 CV     1
 ASSI { 1077}
   (( segid "   A" and resid 173  and name HN  ))
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.30729E-02 ppm1      8.071 ppm2      1.892 CV     1
 ASSI { 1078}
   (( segid "   A" and resid 173  and name HN  ))
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.18269E-02 ppm1      8.071 ppm2      1.745 CV     1
 ASSI { 1079}
   (( segid "   A" and resid 173  and name HN  ))
   (  segid "   A" and resid 173  and name HE% )
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.98958E-03 ppm1      8.071 ppm2      1.344 CV     1
 ASSI { 1080}
   (( segid "   A" and resid 173  and name HN  ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.16469E-02 ppm1      8.074 ppm2      0.968 CV     1
 OR { 1080}
   (( segid "   A" and resid 173  and name HN  ))
   (  segid "   A" and resid 185  and name HG1%)
 OR { 1080}
   (( segid "   A" and resid 173  and name HN  ))
   (  segid "   A" and resid 176  and name HG1%)
 ASSI { 1081}
   (( segid "   A" and resid 195  and name HE21))
   (  segid "   A" and resid 198  and name HD1%)
      6.000     4.500     0.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.51157E-03 ppm1      6.546 ppm2      0.705 CV     1
 ASSI { 1083}
   (( segid "   A" and resid 195  and name HE22))
   (( segid "   A" and resid 199  and name HN  ))
      6.000     4.500     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.49937E-03 ppm1      7.870 ppm2      8.614 CV     1
 ASSI { 1084}
   (( segid "   A" and resid 229  and name HN  ))
   (( segid "   A" and resid 227  and name HN  ))
      6.000     4.500     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.49631E-03 ppm1      8.307 ppm2      7.875 CV     1
 ASSI { 1085}
   (( segid "   A" and resid 195  and name HE21))
   (( segid "   A" and resid 195  and name HE22))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.88505E-02 ppm1      6.541 ppm2      7.869 CV     1
 ASSI { 1087}
   (( segid "   A" and resid 229  and name HN  ))
   (  segid "   A" and resid 229  and name HE% )
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.60428E-03 ppm1      8.302 ppm2      6.737 CV     1
 ASSI { 1089}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.46770E-02 ppm1      7.905 ppm2      3.998 CV     1
 ASSI { 1091}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.12868E-02 ppm1      7.903 ppm2      3.645 CV     1
 ASSI { 1092}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 130  and name HG2 ))
      6.000     4.500     0.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.21577E-02 ppm1      7.904 ppm2      2.520 CV     1
 ASSI { 1093}
   (( segid "   A" and resid 195  and name HE22))
   (( segid "   A" and resid 195  and name HG2 ))
      6.000     4.500     0.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.39179E-02 ppm1      7.867 ppm2      2.349 CV     1
 OR { 1093}
   (( segid "   A" and resid 195  and name HE22))
   (( segid "   A" and resid 195  and name HG1 ))
 ASSI { 1094}
   (( segid "   A" and resid 195  and name HE21))
   (( segid "   A" and resid 195  and name HG2 ))
      6.000     4.500     0.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.29081E-02 ppm1      6.542 ppm2      2.348 CV     1
 OR { 1094}
   (( segid "   A" and resid 195  and name HE21))
   (( segid "   A" and resid 195  and name HG1 ))
 ASSI { 1095}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.88124E-02 ppm1      7.905 ppm2      2.146 CV     1
 ASSI { 1096}
   (( segid "   A" and resid 195  and name HE21))
   (( segid "   A" and resid 198  and name HB  ))
      6.000     4.500     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.72788E-03 ppm1      6.543 ppm2      1.969 CV     1
 ASSI { 1097}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.29386E-02 ppm1      7.905 ppm2      1.908 CV     1
 ASSI { 1099}
   (( segid "   A" and resid 195  and name HE22))
   (  segid "   A" and resid 198  and name HG2%)
      6.000     4.500     0.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.14538E-02 ppm1      7.867 ppm2      0.897 CV     1
 ASSI { 1100}
   (( segid "   A" and resid 195  and name HE21))
   (  segid "   A" and resid 198  and name HG2%)
      6.000     4.500     0.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.19586E-02 ppm1      6.542 ppm2      0.895 CV     1
 ASSI { 1101}
   (( segid "   A" and resid 130  and name HN  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.71071E-03 ppm1      7.903 ppm2      0.730 CV     1
 OR { 1101}
   (( segid "   A" and resid 130  and name HN  ))
   (  segid "   A" and resid 141  and name HD1%)
 ASSI { 1102}
   (( segid "   A" and resid 195  and name HE22))
   (  segid "   A" and resid 198  and name HD1%)
      6.000     4.500     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.52378E-03 ppm1      7.868 ppm2      0.703 CV     1
 ASSI { 1104}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.46313E-03 ppm1      8.154 ppm2      7.695 CV     1
 ASSI { 1105}
   (( segid "   A" and resid 229  and name HN  ))
   (  segid "   A" and resid 229  and name HD% )
      6.000     4.500     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.33201E-02 ppm1      8.300 ppm2      7.651 CV     1
 ASSI { 1106}
   (( segid "   A" and resid 208  and name HN  ))
   (  segid "   A" and resid 208  and name HE% )
      6.000     4.500     0.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.46351E-02 ppm1      7.674 ppm2      7.346 CV     1
 ASSI { 1107}
   (( segid "   A" and resid 172  and name HN  ))
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.49021E-03 ppm1      8.164 ppm2      7.317 CV     1
 ASSI { 1109}
   (( segid "   A" and resid 286  and name HN  ))
   (( segid "   A" and resid 287  and name HN  ))
      6.000     4.500     0.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.20013E-02 ppm1      9.823 ppm2      7.202 CV     1
 ASSI { 1110}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.19677E-02 ppm1      8.709 ppm2      5.068 CV     1
 ASSI { 1111}
   (( segid "   A" and resid 286  and name HN  ))
   (( segid "   A" and resid 285  and name HA  ))
      6.000     4.500     0.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.18853E-02 ppm1      9.823 ppm2      4.726 CV     1
 ASSI { 1112}
   (( segid "   A" and resid 286  and name HN  ))
   (( segid "   A" and resid 286  and name HA  ))
      6.000     4.500     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.76603E-03 ppm1      9.827 ppm2      4.490 CV     1
 ASSI { 1113}
   (( segid "   A" and resid 208  and name HN  ))
   (( segid "   A" and resid 208  and name HA  ))
      6.000     4.500     0.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.20318E-02 ppm1      7.674 ppm2      4.459 CV     1
 ASSI { 1114}
   (( segid "   A" and resid 229  and name HN  ))
   (( segid "   A" and resid 229  and name HA  ))
      6.000     4.500     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.17857E-02 ppm1      8.298 ppm2      4.157 CV     1
 ASSI { 1115}
   (( segid "   A" and resid 208  and name HN  ))
   (( segid "   A" and resid 207  and name HA  ))
      6.000     4.500     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.16209E-02 ppm1      7.673 ppm2      4.105 CV     1
 ASSI { 1116}
   (( segid "   A" and resid 229  and name HN  ))
   (( segid "   A" and resid 229  and name HB1 ))
      6.000     4.500     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.15126E-02 ppm1      8.299 ppm2      3.453 CV     1
 ASSI { 1117}
   (( segid "   A" and resid 208  and name HN  ))
   (( segid "   A" and resid 208  and name HB1 ))
      6.000     4.500     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.15492E-02 ppm1      7.674 ppm2      2.976 CV     1
 ASSI { 1118}
   (( segid "   A" and resid 208  and name HN  ))
   (( segid "   A" and resid 208  and name HB2 ))
      6.000     4.500     0.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      7.674 ppm2      2.901 CV     1
 ASSI { 1119}
   (( segid "   A" and resid 229  and name HN  ))
   (( segid "   A" and resid 229  and name HB2 ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.22222E-02 ppm1      8.298 ppm2      2.782 CV     1
 ASSI { 1120}
   (( segid "   A" and resid 286  and name HN  ))
   (( segid "   A" and resid 286  and name HB  ))
      6.000     4.500     0.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.13085E-02 ppm1      9.824 ppm2      2.339 CV     1
 ASSI { 1121}
   (( segid "   A" and resid 229  and name HN  ))
   (( segid "   A" and resid 228  and name HB  ))
      6.000     4.500     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.24980E-02 ppm1      8.300 ppm2      2.047 CV     1
 ASSI { 1122}
   (( segid "   A" and resid 208  and name HN  ))
   (( segid "   A" and resid 206  and name HB2 ))
      6.000     4.500     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.66646E-03 ppm1      7.677 ppm2      1.969 CV     1
 OR { 1122}
   (( segid "   A" and resid 208  and name HN  ))
   (( segid "   A" and resid 206  and name HB1 ))
 OR { 1122}
   (( segid "   A" and resid 208  and name HN  ))
   (( segid "   A" and resid 206  and name HG1 ))
 ASSI { 1123}
   (( segid "   A" and resid 286  and name HN  ))
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.15279E-02 ppm1      9.826 ppm2      1.492 CV     1
 ASSI { 1124}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.41430E-03 ppm1      8.700 ppm2      1.393 CV     1
 ASSI { 1125}
   (( segid "   A" and resid 208  and name HN  ))
   (  segid "   A" and resid 207  and name HB% )
      6.000     4.500     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.30858E-02 ppm1      7.674 ppm2      1.126 CV     1
 ASSI { 1126}
   (( segid "   A" and resid 286  and name HN  ))
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.42879E-03 ppm1      9.831 ppm2      1.065 CV     1
 ASSI { 1127}
   (( segid "   A" and resid 229  and name HN  ))
   (  segid "   A" and resid 228  and name HG1%)
      6.000     4.500     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.15103E-02 ppm1      8.300 ppm2      0.964 CV     1
 ASSI { 1128}
   (( segid "   A" and resid 172  and name HN  ))
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.49937E-03 ppm1      8.155 ppm2      0.965 CV     1
 OR { 1128}
   (( segid "   A" and resid 172  and name HN  ))
   (  segid "   A" and resid 185  and name HG1%)
 OR { 1128}
   (( segid "   A" and resid 172  and name HN  ))
   (  segid "   A" and resid 185  and name HG2%)
 ASSI { 1129}
   (( segid "   A" and resid 286  and name HN  ))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.11719E-02 ppm1      9.822 ppm2      0.751 CV     1
 ASSI { 1130}
   (( segid "   A" and resid 229  and name HN  ))
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.12917E-02 ppm1      8.302 ppm2      0.619 CV     1
 ASSI { 1131}
   (( segid "   A" and resid 286  and name HN  ))
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.19154E-02 ppm1      9.824 ppm2      0.525 CV     1
 ASSI { 1132}
   (( segid "   A" and resid 229  and name HN  ))
   (  segid "   A" and resid 228  and name HG2%)
      6.000     4.500     0.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.10846E-02 ppm1      8.301 ppm2      0.456 CV     1
 ASSI { 1133}
   (( segid "   A" and resid 229  and name HN  ))
   (  segid "   A" and resid 255  and name HD1%)
      6.000     4.500     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.49555E-03 ppm1      8.300 ppm2     -0.151 CV     1
 ASSI { 1134}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.61343E-03 ppm1      8.706 ppm2      9.487 CV     1
 ASSI { 1135}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.52531E-03 ppm1      8.706 ppm2      8.899 CV     1
 ASSI { 1136}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 169  and name HN  ))
      6.000     4.500     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.42955E-03 ppm1      8.147 ppm2      7.703 CV     1
 ASSI { 1138}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 162  and name HN  ))
      6.000     4.500     0.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.18811E-02 ppm1      8.710 ppm2      6.804 CV     1
 ASSI { 1139}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 172  and name HA  ))
      6.000     4.500     0.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.18594E-02 ppm1      8.156 ppm2      4.433 CV     1
 ASSI { 1140}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 161  and name HA  ))
      6.000     4.500     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.12963E-02 ppm1      8.710 ppm2      4.184 CV     1
 ASSI { 1141}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 171  and name HA  ))
      6.000     4.500     0.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.13802E-02 ppm1      8.155 ppm2      4.001 CV     1
 ASSI { 1142}
   (( segid "   A" and resid 208  and name HN  ))
   (( segid "   A" and resid 205  and name HA  ))
      6.000     4.500     0.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.50471E-03 ppm1      7.670 ppm2      3.837 CV     1
 ASSI { 1143}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.48640E-03 ppm1      8.709 ppm2      3.721 CV     1
 ASSI { 1144}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 160  and name HB1 ))
      6.000     4.500     0.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.91862E-03 ppm1      8.712 ppm2      3.118 CV     1
 ASSI { 1145}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 172  and name HG2 ))
      6.000     4.500     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      8.157 ppm2      2.742 CV     1
 ASSI { 1146}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 160  and name HB2 ))
      6.000     4.500     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.59283E-03 ppm1      8.713 ppm2      2.726 CV     1
 ASSI { 1147}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 172  and name HB1 ))
      6.000     4.500     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.33632E-02 ppm1      8.155 ppm2      2.361 CV     1
 ASSI { 1148}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 161  and name HB2 ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.23999E-02 ppm1      8.709 ppm2      2.197 CV     1
 ASSI { 1149}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 171  and name HB1 ))
      6.000     4.500     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.15969E-02 ppm1      8.156 ppm2      2.147 CV     1
 ASSI { 1150}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 171  and name HB2 ))
      6.000     4.500     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.12993E-02 ppm1      8.155 ppm2      2.029 CV     1
 ASSI { 1151}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 161  and name HB1 ))
      6.000     4.500     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.14779E-02 ppm1      8.710 ppm2      1.958 CV     1
 ASSI { 1152}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 173  and name HB1 ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.75382E-03 ppm1      8.153 ppm2      1.884 CV     1
 OR { 1152}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 168  and name HG  ))
 ASSI { 1153}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.22801E-02 ppm1      8.155 ppm2      1.723 CV     1
 ASSI { 1154}
   (( segid "   A" and resid 161  and name HN  ))
   (  segid "   A" and resid 162  and name HG2%)
      6.000     4.500     0.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.48182E-03 ppm1      8.705 ppm2      0.756 CV     1
 ASSI { 1155}
   (( segid "   A" and resid 251  and name HN  ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.40361E-03 ppm1     11.185 ppm2      0.657 CV     1
 ASSI { 1157}
   (( segid "   A" and resid 251  and name HN  ))
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.87856E-03 ppm1     11.188 ppm2      7.400 CV     1
 ASSI { 1158}
   (( segid "   A" and resid 251  and name HN  ))
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.13146E-02 ppm1     11.187 ppm2      7.107 CV     1
 ASSI { 1159}
   (( segid "   A" and resid 251  and name HN  ))
   (( segid "   A" and resid 250  and name HA  ))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.95448E-03 ppm1     11.190 ppm2      4.385 CV     1
 ASSI { 1160}
   (( segid "   A" and resid 251  and name HN  ))
   (( segid "   A" and resid 251  and name HA2 ))
      6.000     4.500     0.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.21085E-02 ppm1     11.188 ppm2      4.286 CV     1
 ASSI { 1161}
   (( segid "   A" and resid 251  and name HN  ))
   (( segid "   A" and resid 251  and name HA1 ))
      6.000     4.500     0.000 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.19463E-02 ppm1     11.188 ppm2      4.111 CV     1
 ASSI { 1163}
   (( segid "   A" and resid 251  and name HN  ))
   (( segid "   A" and resid 250  and name HG2 ))
      6.000     4.500     0.000 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.43871E-03 ppm1     11.192 ppm2      1.437 CV     1
 ASSI { 1164}
   (( segid "   A" and resid 251  and name HN  ))
   (( segid "   A" and resid 250  and name HG1 ))
      6.000     4.500     0.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.75840E-03 ppm1     11.191 ppm2      1.299 CV     1
 ASSI { 1165}
   (( segid "   A" and resid 276  and name HN  ))
   (  segid "   A" and resid 275  and name HD1%)
      6.000     4.500     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.65044E-03 ppm1      9.024 ppm2      1.019 CV     1
 ASSI { 1166}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.42612E-03 ppm1      7.199 ppm2      8.928 CV     1
 ASSI { 1170}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 112  and name HA  ))
      6.000     4.500     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.31770E-02 ppm1      7.202 ppm2      4.113 CV     1
 ASSI { 1171}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.76374E-03 ppm1      7.201 ppm2      3.871 CV     1
 ASSI { 1172}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 112  and name HB1 ))
      6.000     4.500     0.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.23507E-02 ppm1      7.201 ppm2      3.549 CV     1
 ASSI { 1173}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 112  and name HB2 ))
      6.000     4.500     0.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.36752E-02 ppm1      7.202 ppm2      3.049 CV     1
 ASSI { 1174}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.13825E-02 ppm1      7.204 ppm2      2.269 CV     1
 OR { 1174}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 111  and name HB1 ))
 ASSI { 1175}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 113  and name HB2 ))
      6.000     4.500     0.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.12120E-02 ppm1      7.201 ppm2      1.696 CV     1
 OR { 1175}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 113  and name HG2 ))
 OR { 1175}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 110  and name HG11))
 OR { 1175}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 163  and name HB1 ))
 ASSI { 1176}
   (( segid "   A" and resid 112  and name HN  ))
   (  segid "   A" and resid 109  and name HB% )
      6.000     4.500     0.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.11796E-02 ppm1      7.203 ppm2      1.423 CV     1
 ASSI { 1177}
   (( segid "   A" and resid 112  and name HN  ))
   (  segid "   A" and resid 108  and name HD1%)
      6.000     4.500     0.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.63632E-03 ppm1      7.204 ppm2      0.819 CV     1
 OR { 1177}
   (( segid "   A" and resid 112  and name HN  ))
   (  segid "   A" and resid 110  and name HG2%)
 ASSI { 1178}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.46618E-03 ppm1      6.855 ppm2      8.796 CV     1
 OR { 1178}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 257  and name HN  ))
 ASSI { 1180}
   (( segid "   A" and resid 271  and name HD22))
   (( segid "   A" and resid 271  and name HD21))
      6.000     4.500     0.000 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.42650E-02 ppm1      6.514 ppm2      7.862 CV     1
 ASSI { 1182}
   (( segid "   A" and resid 271  and name HD21))
   (( segid "   A" and resid 172  and name HE22))
      6.000     4.500     0.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.58596E-03 ppm1      7.863 ppm2      6.824 CV     1
 ASSI { 1184}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 257  and name HA  ))
      6.000     4.500     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.87208E-03 ppm1      6.852 ppm2      4.813 CV     1
 ASSI { 1185}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 260  and name HA  ))
      6.000     4.500     0.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.12902E-02 ppm1      6.854 ppm2      3.902 CV     1
 ASSI { 1186}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 263  and name HB1 ))
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.31858E-02 ppm1      6.853 ppm2      3.770 CV     1
 ASSI { 1187}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 263  and name HA  ))
      6.000     4.500     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.23721E-02 ppm1      6.853 ppm2      3.668 CV     1
 ASSI { 1188}
   (( segid "   A" and resid 209  and name HD21))
   (( segid "   A" and resid 209  and name HB2 ))
      6.000     4.500     0.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.16034E-02 ppm1      6.600 ppm2      3.541 CV     1
 ASSI { 1189}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 262  and name HB1 ))
      6.000     4.500     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.14973E-02 ppm1      6.854 ppm2      3.476 CV     1
 ASSI { 1190}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 262  and name HB2 ))
      6.000     4.500     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.88085E-03 ppm1      6.853 ppm2      2.843 CV     1
 ASSI { 1191}
   (( segid "   A" and resid 271  and name HD22))
   (( segid "   A" and resid 271  and name HB1 ))
      6.000     4.500     0.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.13566E-02 ppm1      6.515 ppm2      2.809 CV     1
 ASSI { 1192}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 257  and name HB1 ))
      6.000     4.500     0.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.61725E-03 ppm1      6.853 ppm2      2.712 CV     1
 ASSI { 1193}
   (( segid "   A" and resid 209  and name HD22))
   (( segid "   A" and resid 209  and name HB1 ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.74962E-03 ppm1      6.602 ppm2      2.649 CV     1
 ASSI { 1194}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 264  and name HB2 ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.83088E-03 ppm1      6.854 ppm2      2.043 CV     1
 OR { 1194}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 264  and name HB1 ))
 ASSI { 1195}
   (( segid "   A" and resid 112  and name HN  ))
   (  segid "   A" and resid 111  and name HE% )
      6.000     4.500     0.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.59359E-03 ppm1      7.202 ppm2      1.966 CV     1
 OR { 1195}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 163  and name HG1 ))
 ASSI { 1196}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 110  and name HB  ))
      6.000     4.500     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.74085E-03 ppm1      7.205 ppm2      1.833 CV     1
 OR { 1196}
   (( segid "   A" and resid 112  and name HN  ))
   (( segid "   A" and resid 163  and name HG2 ))
 ASSI { 1197}
   (( segid "   A" and resid 271  and name HD21))
   (( segid "   A" and resid 272  and name HG  ))
      6.000     4.500     0.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.88200E-03 ppm1      7.862 ppm2      1.484 CV     1
 OR { 1197}
   (( segid "   A" and resid 271  and name HD21))
   (( segid "   A" and resid 281  and name HG1 ))
 ASSI { 1198}
   (( segid "   A" and resid 263  and name HN  ))
   (  segid "   A" and resid 211  and name HG2%)
      6.000     4.500     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.64815E-03 ppm1      6.855 ppm2      0.941 CV     1
 OR { 1198}
   (( segid "   A" and resid 263  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
 ASSI { 1199}
   (( segid "   A" and resid 271  and name HD22))
   (  segid "   A" and resid 272  and name HD1%)
      6.000     4.500     0.000 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.80265E-03 ppm1      6.513 ppm2      0.782 CV     1
 ASSI { 1200}
   (( segid "   A" and resid 271  and name HD21))
   (  segid "   A" and resid 272  and name HD1%)
      6.000     4.500     0.000 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.93922E-03 ppm1      7.863 ppm2      0.775 CV     1
 ASSI { 1201}
   (( segid "   A" and resid 271  and name HD22))
   (  segid "   A" and resid 272  and name HD2%)
      6.000     4.500     0.000 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.42421E-03 ppm1      6.513 ppm2      0.684 CV     1
 ASSI { 1202}
   (( segid "   A" and resid 167  and name HE21))
   (( segid "   A" and resid 167  and name HE22))
      6.000     4.500     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.98920E-02 ppm1      6.691 ppm2      7.999 CV     1
 ASSI { 1203}
   (( segid "   A" and resid 271  and name HD22))
   (( segid "   A" and resid 172  and name HE22))
      6.000     4.500     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.53370E-03 ppm1      6.520 ppm2      6.828 CV     1
 ASSI { 1205}
   (( segid "   A" and resid 271  and name HD21))
   (( segid "   A" and resid 271  and name HB1 ))
      6.000     4.500     0.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.22832E-02 ppm1      7.864 ppm2      2.813 CV     1
 ASSI { 1206}
   (( segid "   A" and resid 167  and name HE21))
   (( segid "   A" and resid 171  and name HG2 ))
      6.000     4.500     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.49174E-03 ppm1      6.691 ppm2      2.625 CV     1
 ASSI { 1207}
   (( segid "   A" and resid 167  and name HE21))
   (( segid "   A" and resid 167  and name HG2 ))
      6.000     4.500     0.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.10846E-02 ppm1      6.692 ppm2      2.304 CV     1
 ASSI { 1208}
   (( segid "   A" and resid 167  and name HE22))
   (( segid "   A" and resid 167  and name HG2 ))
      6.000     4.500     0.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.14691E-02 ppm1      7.999 ppm2      2.300 CV     1
 ASSI { 1209}
   (( segid "   A" and resid 167  and name HE22))
   (( segid "   A" and resid 167  and name HG1 ))
      6.000     4.500     0.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.22374E-02 ppm1      7.999 ppm2      2.140 CV     1
 ASSI { 1210}
   (( segid "   A" and resid 167  and name HE21))
   (( segid "   A" and resid 167  and name HG1 ))
      6.000     4.500     0.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.22191E-02 ppm1      6.692 ppm2      2.146 CV     1
 ASSI { 1212}
   (( segid "   A" and resid 271  and name HD22))
   (( segid "   A" and resid 272  and name HG  ))
      6.000     4.500     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.73551E-03 ppm1      6.515 ppm2      1.492 CV     1
 OR { 1212}
   (( segid "   A" and resid 271  and name HD22))
   (( segid "   A" and resid 272  and name HB1 ))
 OR { 1212}
   (( segid "   A" and resid 271  and name HD22))
   (( segid "   A" and resid 281  and name HG1 ))
 ASSI { 1213}
   (( segid "   A" and resid 209  and name HD21))
   (  segid "   A" and resid 260  and name HB% )
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.53828E-03 ppm1      6.599 ppm2      1.401 CV     1
 OR { 1213}
   (( segid "   A" and resid 209  and name HD22))
   (  segid "   A" and resid 260  and name HB% )
 ASSI { 1214}
   (( segid "   A" and resid 167  and name HE22))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.78434E-03 ppm1      7.994 ppm2      0.767 CV     1
 ASSI { 1215}
   (( segid "   A" and resid 167  and name HE21))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.11674E-02 ppm1      6.689 ppm2      0.766 CV     1
 ASSI { 1216}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      7.778 ppm2      8.745 CV     1
 OR { 1216}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 255  and name HN  ))
 ASSI { 1217}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 241  and name HN  ))
      6.000     4.500     0.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.64319E-03 ppm1      7.779 ppm2      8.339 CV     1
 ASSI { 1219}
   (( segid "   A" and resid 218  and name HE22))
   (( segid "   A" and resid 218  and name HE21))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.61191E-02 ppm1      6.697 ppm2      7.377 CV     1
 ASSI { 1220}
   (( segid "   A" and resid 254  and name HN  ))
   (  segid "   A" and resid 254  and name HD% )
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.20074E-02 ppm1      7.779 ppm2      7.232 CV     1
 ASSI { 1221}
   (( segid "   A" and resid 254  and name HN  ))
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.57757E-03 ppm1      7.778 ppm2      6.785 CV     1
 OR { 1221}
   (( segid "   A" and resid 254  and name HN  ))
   (  segid "   A" and resid 252  and name HE% )
 ASSI { 1223}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 254  and name HA  ))
      6.000     4.500     0.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      7.776 ppm2      5.708 CV     1
 ASSI { 1224}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.15904E-02 ppm1      7.777 ppm2      4.559 CV     1
 ASSI { 1227}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 253  and name HA1 ))
      6.000     4.500     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.36928E-02 ppm1      7.774 ppm2      3.992 CV     1
 ASSI { 1228}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 254  and name HB2 ))
      6.000     4.500     0.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.26174E-02 ppm1      7.777 ppm2      2.717 CV     1
 ASSI { 1229}
   (( segid "   A" and resid 167  and name HE22))
   (( segid "   A" and resid 171  and name HG2 ))
      6.000     4.500     0.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.91214E-03 ppm1      8.001 ppm2      2.636 CV     1
 ASSI { 1230}
   (( segid "   A" and resid 218  and name HE21))
   (( segid "   A" and resid 218  and name HG1 ))
      6.000     4.500     0.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.11307E-02 ppm1      7.375 ppm2      2.180 CV     1
 ASSI { 1231}
   (( segid "   A" and resid 218  and name HE21))
   (( segid "   A" and resid 218  and name HG2 ))
      6.000     4.500     0.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.13222E-02 ppm1      7.376 ppm2      2.088 CV     1
 ASSI { 1232}
   (( segid "   A" and resid 167  and name HE22))
   (( segid "   A" and resid 167  and name HB2 ))
      6.000     4.500     0.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.47724E-03 ppm1      8.004 ppm2      1.957 CV     1
 OR { 1232}
   (( segid "   A" and resid 167  and name HE22))
   (( segid "   A" and resid 167  and name HB1 ))
 ASSI { 1233}
   (( segid "   A" and resid 218  and name HE21))
   (( segid "   A" and resid 218  and name HB1 ))
      6.000     4.500     0.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.48029E-03 ppm1      7.379 ppm2      1.805 CV     1
 ASSI { 1234}
   (( segid "   A" and resid 254  and name HN  ))
   (  segid "   A" and resid 239  and name HG2%)
      6.000     4.500     0.000 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.65730E-03 ppm1      7.780 ppm2      1.148 CV     1
 ASSI { 1235}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 240  and name HB1 ))
      6.000     4.500     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.48411E-03 ppm1      7.789 ppm2      0.750 CV     1
 OR { 1235}
   (( segid "   A" and resid 254  and name HN  ))
   (  segid "   A" and resid 241  and name HB% )
 ASSI { 1236}
   (( segid "   A" and resid 254  and name HN  ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.12730E-02 ppm1      7.778 ppm2      0.061 CV     1
 ASSI { 1238}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 253  and name HN  ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.90565E-03 ppm1      7.111 ppm2      8.748 CV     1
 ASSI { 1239}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 250  and name HN  ))
      6.000     4.500     0.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.83202E-03 ppm1      7.106 ppm2      8.607 CV     1
 ASSI { 1241}
   (( segid "   A" and resid 245  and name HN  ))
   (( segid "   A" and resid 246  and name HN  ))
      6.000     4.500     0.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.54820E-03 ppm1      8.406 ppm2      7.610 CV     1
 ASSI { 1242}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 249  and name HE1 ))
      6.000     4.500     0.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.62182E-03 ppm1      7.110 ppm2      7.378 CV     1
 ASSI { 1243}
   (( segid "   A" and resid 252  and name HN  ))
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.37706E-02 ppm1      7.109 ppm2      6.782 CV     1
 ASSI { 1244}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.19647E-02 ppm1      7.108 ppm2      5.582 CV     1
 ASSI { 1245}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.48640E-03 ppm1      7.107 ppm2      5.067 CV     1
 ASSI { 1246}
   (( segid "   A" and resid 245  and name HN  ))
   (( segid "   A" and resid 246  and name HA  ))
      6.000     4.500     0.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.74733E-03 ppm1      8.411 ppm2      4.393 CV     1
 ASSI { 1247}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 251  and name HA2 ))
      6.000     4.500     0.000 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      7.108 ppm2      4.288 CV     1
 ASSI { 1248}
   (( segid "   A" and resid 245  and name HN  ))
   (( segid "   A" and resid 245  and name HB  ))
      6.000     4.500     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.15214E-02 ppm1      8.406 ppm2      4.251 CV     1
 ASSI { 1249}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 251  and name HA1 ))
      6.000     4.500     0.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.19677E-02 ppm1      7.107 ppm2      4.110 CV     1
 ASSI { 1250}
   (( segid "   A" and resid 245  and name HN  ))
   (( segid "   A" and resid 244  and name HD2 ))
      6.000     4.500     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.39751E-03 ppm1      8.398 ppm2      4.035 CV     1
 ASSI { 1251}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.86140E-03 ppm1      7.108 ppm2      2.985 CV     1
 ASSI { 1252}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.92511E-03 ppm1      7.107 ppm2      2.737 CV     1
 ASSI { 1253}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 250  and name HB2 ))
      6.000     4.500     0.000 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.42345E-03 ppm1      7.106 ppm2      2.431 CV     1
 ASSI { 1254}
   (( segid "   A" and resid 245  and name HN  ))
   (( segid "   A" and resid 244  and name HG2 ))
      6.000     4.500     0.000 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.98653E-03 ppm1      8.406 ppm2      2.044 CV     1
 ASSI { 1255}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 216  and name HB  ))
      6.000     4.500     0.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.14626E-02 ppm1      7.109 ppm2      1.283 CV     1
 ASSI { 1256}
   (( segid "   A" and resid 245  and name HN  ))
   (  segid "   A" and resid 245  and name HG2%)
      6.000     4.500     0.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.13268E-02 ppm1      8.408 ppm2      1.209 CV     1
 ASSI { 1257}
   (( segid "   A" and resid 252  and name HN  ))
   (( segid "   A" and resid 240  and name HB1 ))
      6.000     4.500     0.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.18636E-02 ppm1      7.108 ppm2      0.752 CV     1
 OR { 1257}
   (( segid "   A" and resid 252  and name HN  ))
   (  segid "   A" and resid 241  and name HB% )
 ASSI { 1258}
   (( segid "   A" and resid 252  and name HN  ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.74085E-03 ppm1      7.107 ppm2      0.351 CV     1
 ASSI { 1259}
   (( segid "   A" and resid 252  and name HN  ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.10983E-02 ppm1      7.111 ppm2      0.057 CV     1
 ASSI { 1261}
   (( segid "   A" and resid 269  and name HN  ))
   (  segid "   A" and resid 232  and name HE% )
      6.000     4.500     0.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.67905E-03 ppm1      7.330 ppm2      7.038 CV     1
 ASSI { 1262}
   (( segid "   A" and resid 186  and name HN  ))
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.50547E-03 ppm1      8.970 ppm2      5.333 CV     1
 ASSI { 1263}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 270  and name HA  ))
      6.000     4.500     0.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.55621E-03 ppm1      7.328 ppm2      4.917 CV     1
 ASSI { 1264}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 269  and name HA  ))
      6.000     4.500     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.30729E-02 ppm1      7.330 ppm2      4.560 CV     1
 ASSI { 1265}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 268  and name HA  ))
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.15691E-02 ppm1      7.329 ppm2      4.198 CV     1
 ASSI { 1266}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 268  and name HB1 ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.20658E-02 ppm1      7.329 ppm2      3.920 CV     1
 ASSI { 1267}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 269  and name HB1 ))
      6.000     4.500     0.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.15385E-02 ppm1      7.328 ppm2      3.675 CV     1
 ASSI { 1268}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 269  and name HB2 ))
      6.000     4.500     0.000 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      7.330 ppm2      3.494 CV     1
 ASSI { 1269}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 266  and name HA  ))
      6.000     4.500     0.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.65349E-03 ppm1      7.328 ppm2      2.370 CV     1
 ASSI { 1270}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 270  and name HB1 ))
      6.000     4.500     0.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.13566E-02 ppm1      7.329 ppm2      1.916 CV     1
 ASSI { 1271}
   (( segid "   A" and resid 186  and name HN  ))
   (  segid "   A" and resid 185  and name HG1%)
      6.000     4.500     0.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.52760E-03 ppm1      8.980 ppm2      0.958 CV     1
 ASSI { 1272}
   (( segid "   A" and resid 269  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
      6.000     4.500     0.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      7.330 ppm2      0.949 CV     1
 OR { 1272}
   (( segid "   A" and resid 269  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
 OR { 1272}
   (( segid "   A" and resid 269  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
 OR { 1272}
   (( segid "   A" and resid 269  and name HN  ))
   (  segid "   A" and resid 267  and name HG2%)
 ASSI { 1273}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 259  and name HN  ))
      6.000     4.500     0.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.55926E-03 ppm1      6.797 ppm2      8.783 CV     1
 ASSI { 1274}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 265  and name HN  ))
      6.000     4.500     0.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.41544E-03 ppm1      7.726 ppm2      8.304 CV     1
 ASSI { 1275}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 264  and name HN  ))
      6.000     4.500     0.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.41544E-03 ppm1      6.797 ppm2      7.375 CV     1
 ASSI { 1276}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 262  and name HA  ))
      6.000     4.500     0.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.16167E-02 ppm1      6.796 ppm2      3.981 CV     1
 ASSI { 1277}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 263  and name HB1 ))
      6.000     4.500     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.80837E-03 ppm1      6.795 ppm2      3.784 CV     1
 ASSI { 1278}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 269  and name HB1 ))
      6.000     4.500     0.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.38606E-03 ppm1      7.724 ppm2      3.688 CV     1
 ASSI { 1279}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 262  and name HB1 ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      6.797 ppm2      3.467 CV     1
 ASSI { 1280}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 262  and name HB2 ))
      6.000     4.500     0.000 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.10800E-02 ppm1      6.796 ppm2      2.842 CV     1
 ASSI { 1281}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 258  and name HG1 ))
      6.000     4.500     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.67905E-03 ppm1      6.796 ppm2      2.182 CV     1
 OR { 1281}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 258  and name HB1 ))
 ASSI { 1282}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 259  and name HB1 ))
      6.000     4.500     0.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.11109E-02 ppm1      6.798 ppm2      1.997 CV     1
 ASSI { 1283}
   (( segid "   A" and resid 262  and name HN  ))
   (( segid "   A" and resid 259  and name HB2 ))
      6.000     4.500     0.000 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.23568E-02 ppm1      6.796 ppm2      1.869 CV     1
 ASSI { 1284}
   (( segid "   A" and resid 262  and name HN  ))
   (  segid "   A" and resid 260  and name HB% )
      6.000     4.500     0.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.44024E-03 ppm1      6.798 ppm2      1.423 CV     1
 ASSI { 1285}
   (( segid "   A" and resid 132  and name HN  ))
   (( segid "   A" and resid 160  and name HH  ))
      6.000     4.500     0.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.49479E-03 ppm1      8.069 ppm2      9.333 CV     1
 ASSI { 1287}
   (( segid "   A" and resid 132  and name HN  ))
   (  segid "   A" and resid 132  and name HD% )
      6.000     4.500     0.000 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.29733E-02 ppm1      8.073 ppm2      7.926 CV     1
 ASSI { 1289}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 269  and name HN  ))
      6.000     4.500     0.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.27391E-02 ppm1      7.723 ppm2      7.330 CV     1
 ASSI { 1290}
   (( segid "   A" and resid 132  and name HN  ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.43451E-03 ppm1      8.072 ppm2      7.272 CV     1
 ASSI { 1291}
   (( segid "   A" and resid 132  and name HN  ))
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.16576E-02 ppm1      8.072 ppm2      4.720 CV     1
 ASSI { 1292}
   (( segid "   A" and resid 132  and name HN  ))
   (( segid "   A" and resid 131  and name HA  ))
      6.000     4.500     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.81257E-03 ppm1      8.073 ppm2      4.183 CV     1
 ASSI { 1293}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 268  and name HA  ))
      6.000     4.500     0.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.55926E-02 ppm1      7.722 ppm2      4.197 CV     1
 ASSI { 1294}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 268  and name HB1 ))
      6.000     4.500     0.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.74810E-02 ppm1      7.722 ppm2      3.919 CV     1
 ASSI { 1295}
   (( segid "   A" and resid 132  and name HN  ))
   (( segid "   A" and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.11063E-02 ppm1      8.073 ppm2      3.664 CV     1
 ASSI { 1296}
   (( segid "   A" and resid 132  and name HN  ))
   (( segid "   A" and resid 132  and name HB2 ))
      6.000     4.500     0.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      8.073 ppm2      3.506 CV     1
 ASSI { 1297}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.16316E-02 ppm1      7.722 ppm2      3.454 CV     1
 ASSI { 1298}
   (( segid "   A" and resid 132  and name HN  ))
   (( segid "   A" and resid 132  and name HB1 ))
      6.000     4.500     0.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.18334E-02 ppm1      8.073 ppm2      2.822 CV     1
 ASSI { 1299}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 266  and name HA  ))
      6.000     4.500     0.000 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.75725E-03 ppm1      7.721 ppm2      2.360 CV     1
 ASSI { 1300}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 267  and name HB  ))
      6.000     4.500     0.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.41353E-02 ppm1      7.722 ppm2      2.039 CV     1
 ASSI { 1301}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 270  and name HB1 ))
      6.000     4.500     0.000 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.46465E-03 ppm1      7.722 ppm2      1.915 CV     1
 ASSI { 1302}
   (( segid "   A" and resid 132  and name HN  ))
   (  segid "   A" and resid 133  and name HB% )
      6.000     4.500     0.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.10785E-02 ppm1      8.073 ppm2      1.587 CV     1
 ASSI { 1303}
   (( segid "   A" and resid 132  and name HN  ))
   (  segid "   A" and resid 131  and name HB% )
      6.000     4.500     0.000 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.22893E-02 ppm1      8.073 ppm2      1.416 CV     1
 ASSI { 1304}
   (( segid "   A" and resid 268  and name HN  ))
   (  segid "   A" and resid 266  and name HB% )
      6.000     4.500     0.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.79616E-03 ppm1      7.721 ppm2      1.218 CV     1
 ASSI { 1305}
   (( segid "   A" and resid 268  and name HN  ))
   (  segid "   A" and resid 267  and name HG1%)
      6.000     4.500     0.000 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.50280E-02 ppm1      7.722 ppm2      0.949 CV     1
 OR { 1305}
   (( segid "   A" and resid 268  and name HN  ))
   (  segid "   A" and resid 267  and name HG2%)
 ASSI { 1306}
   (( segid "   A" and resid 132  and name HN  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.10003E-02 ppm1      8.076 ppm2      0.741 CV     1
 ASSI { 1307}
   (( segid "   A" and resid 132  and name HN  ))
   (  segid "   A" and resid 128  and name HG2%)
      6.000     4.500     0.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.61648E-03 ppm1      8.076 ppm2      0.511 CV     1
 ASSI { 1309}
   (( segid "   A" and resid 132  and name HN  ))
   (  segid "   A" and resid 132  and name HE% )
      6.000     4.500     0.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.47114E-03 ppm1      8.073 ppm2      6.865 CV     1
 ASSI { 1310}
   (( segid "   A" and resid 117  and name HN  ))
   (( segid "   A" and resid 185  and name HA  ))
      6.000     4.500     0.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.55316E-03 ppm1      9.101 ppm2      5.332 CV     1
 ASSI { 1311}
   (( segid "   A" and resid 117  and name HN  ))
   (( segid "   A" and resid 117  and name HA1 ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.97737E-03 ppm1      9.085 ppm2      4.764 CV     1
 ASSI { 1312}
   (( segid "   A" and resid 117  and name HN  ))
   (( segid "   A" and resid 116  and name HA  ))
      6.000     4.500     0.000 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.24671E-02 ppm1      9.090 ppm2      4.570 CV     1
 ASSI { 1313}
   (( segid "   A" and resid 117  and name HN  ))
   (( segid "   A" and resid 117  and name HA2 ))
      6.000     4.500     0.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.78129E-03 ppm1      9.085 ppm2      3.505 CV     1
 ASSI { 1314}
   (( segid "   A" and resid 117  and name HN  ))
   (( segid "   A" and resid 116  and name HB  ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.78434E-03 ppm1      9.090 ppm2      1.557 CV     1
 ASSI { 1315}
   (( segid "   A" and resid 117  and name HN  ))
   (  segid "   A" and resid 185  and name HG2%)
      6.000     4.500     0.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.57223E-03 ppm1      9.085 ppm2      0.956 CV     1
 OR { 1315}
   (( segid "   A" and resid 117  and name HN  ))
   (  segid "   A" and resid 185  and name HG1%)
 ASSI { 1316}
   (( segid "   A" and resid 117  and name HN  ))
   (  segid "   A" and resid 116  and name HG2%)
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.10018E-02 ppm1      9.094 ppm2      0.694 CV     1
 ASSI { 1317}
   (( segid "   A" and resid 117  and name HN  ))
   (  segid "   A" and resid 116  and name HG1%)
      6.000     4.500     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.63022E-03 ppm1      9.090 ppm2      0.274 CV     1
 ASSI { 1318}
   (( segid "   A" and resid 118  and name HN  ))
   (( segid "   A" and resid 117  and name HN  ))
      6.000     4.500     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.43871E-03 ppm1      8.284 ppm2      9.070 CV     1
 ASSI { 1320}
   (( segid "   A" and resid 118  and name HN  ))
   (( segid "   A" and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.50700E-03 ppm1      8.284 ppm2      8.111 CV     1
 ASSI { 1322}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 224  and name HA  ))
      6.000     4.500     0.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.18506E-02 ppm1      7.894 ppm2      4.337 CV     1
 ASSI { 1323}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 227  and name HA  ))
      6.000     4.500     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.35539E-02 ppm1      7.893 ppm2      4.180 CV     1
 ASSI { 1325}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 227  and name HB2 ))
      6.000     4.500     0.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.32854E-02 ppm1      7.893 ppm2      3.998 CV     1
 ASSI { 1326}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 226  and name HA  ))
      6.000     4.500     0.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.81257E-03 ppm1      7.898 ppm2      3.641 CV     1
 ASSI { 1327}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 226  and name HE2 ))
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.49631E-03 ppm1      7.897 ppm2      2.815 CV     1
 OR { 1327}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 229  and name HB2 ))
 OR { 1327}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 226  and name HE1 ))
 ASSI { 1328}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 226  and name HD1 ))
      6.000     4.500     0.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.92396E-03 ppm1      7.896 ppm2      1.613 CV     1
 OR { 1328}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 226  and name HD2 ))
 ASSI { 1329}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 226  and name HG2 ))
      6.000     4.500     0.000 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.56460E-03 ppm1      7.893 ppm2      1.307 CV     1
 ASSI { 1330}
   (( segid "   A" and resid 227  and name HN  ))
   (  segid "   A" and resid 228  and name HG1%)
      6.000     4.500     0.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.55392E-03 ppm1      7.893 ppm2      0.949 CV     1
 ASSI { 1331}
   (( segid "   A" and resid 227  and name HN  ))
   (  segid "   A" and resid 225  and name HG2%)
      6.000     4.500     0.000 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.58215E-03 ppm1      7.899 ppm2      0.583 CV     1
 OR { 1331}
   (( segid "   A" and resid 227  and name HN  ))
   (  segid "   A" and resid 225  and name HD1%)
 ASSI { 1332}
   (( segid "   A" and resid 118  and name HN  ))
   (( segid "   A" and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.47877E-03 ppm1      8.298 ppm2      4.336 CV     1
 ASSI { 1333}
   (( segid "   A" and resid 118  and name HN  ))
   (( segid "   A" and resid 118  and name HA  ))
      6.000     4.500     0.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.21913E-02 ppm1      8.291 ppm2      3.975 CV     1
 ASSI { 1334}
   (( segid "   A" and resid 118  and name HN  ))
   (( segid "   A" and resid 117  and name HA2 ))
      6.000     4.500     0.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      8.292 ppm2      3.503 CV     1
 ASSI { 1335}
   (( segid "   A" and resid 215  and name HN  ))
   (( segid "   A" and resid 214  and name HN  ))
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.51234E-03 ppm1      8.224 ppm2      8.901 CV     1
 ASSI { 1337}
   (( segid "   A" and resid 200  and name HE21))
   (( segid "   A" and resid 200  and name HE22))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.14252E-01 ppm1      6.666 ppm2      7.627 CV     1
 ASSI { 1339}
   (( segid "   A" and resid 215  and name HN  ))
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.54972E-03 ppm1      8.218 ppm2      5.570 CV     1
 ASSI { 1340}
   (( segid "   A" and resid 215  and name HN  ))
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.25407E-02 ppm1      8.225 ppm2      5.071 CV     1
 ASSI { 1341}
   (( segid "   A" and resid 215  and name HN  ))
   (( segid "   A" and resid 215  and name HB1 ))
      6.000     4.500     0.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.76488E-03 ppm1      8.224 ppm2      4.434 CV     1
 ASSI { 1342}
   (( segid "   A" and resid 215  and name HN  ))
   (( segid "   A" and resid 215  and name HB2 ))
      6.000     4.500     0.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.96974E-03 ppm1      8.223 ppm2      4.162 CV     1
 ASSI { 1343}
   (( segid "   A" and resid 215  and name HN  ))
   (( segid "   A" and resid 215  and name HA  ))
      6.000     4.500     0.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.53675E-02 ppm1      8.224 ppm2      3.831 CV     1
 ASSI { 1344}
   (( segid "   A" and resid 200  and name HE22))
   (( segid "   A" and resid 199  and name HB1 ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.43108E-03 ppm1      7.625 ppm2      2.632 CV     1
 ASSI { 1345}
   (( segid "   A" and resid 200  and name HE22))
   (( segid "   A" and resid 200  and name HG1 ))
      6.000     4.500     0.000 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      7.628 ppm2      2.523 CV     1
 ASSI { 1346}
   (( segid "   A" and resid 200  and name HE21))
   (( segid "   A" and resid 200  and name HG1 ))
      6.000     4.500     0.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.61877E-03 ppm1      6.663 ppm2      2.525 CV     1
 ASSI { 1347}
   (( segid "   A" and resid 200  and name HE22))
   (( segid "   A" and resid 200  and name HG2 ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.14584E-02 ppm1      7.626 ppm2      2.313 CV     1
 ASSI { 1348}
   (( segid "   A" and resid 200  and name HE21))
   (( segid "   A" and resid 200  and name HG2 ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.94533E-03 ppm1      6.664 ppm2      2.319 CV     1
 ASSI { 1349}
   (( segid "   A" and resid 200  and name HE22))
   (( segid "   A" and resid 200  and name HB2 ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.50547E-03 ppm1      7.624 ppm2      2.172 CV     1
 ASSI { 1350}
   (( segid "   A" and resid 215  and name HN  ))
   (  segid "   A" and resid 214  and name HB% )
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.40628E-02 ppm1      8.224 ppm2      1.248 CV     1
 ASSI { 1351}
   (( segid "   A" and resid 215  and name HN  ))
   (  segid "   A" and resid 216  and name HG1%)
      6.000     4.500     0.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.42879E-03 ppm1      8.222 ppm2      0.631 CV     1
 OR { 1351}
   (( segid "   A" and resid 215  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
 ASSI { 1358}
   (( segid "   A" and resid 247  and name HN  ))
   (( segid "   A" and resid 246  and name HN  ))
      6.000     4.500     0.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.12593E-02 ppm1      8.387 ppm2      7.611 CV     1
 ASSI { 1359}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.61877E-03 ppm1      7.690 ppm2      5.062 CV     1
 ASSI { 1360}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.94533E-03 ppm1      7.434 ppm2      4.997 CV     1
 ASSI { 1361}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 237  and name HA  ))
      6.000     4.500     0.000 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.16557E-02 ppm1      7.425 ppm2      4.472 CV     1
 ASSI { 1362}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 140  and name HA  ))
      6.000     4.500     0.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.18830E-02 ppm1      7.688 ppm2      4.455 CV     1
 ASSI { 1363}
   (( segid "   A" and resid 247  and name HN  ))
   (( segid "   A" and resid 246  and name HA  ))
      6.000     4.500     0.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.14367E-02 ppm1      8.389 ppm2      4.402 CV     1
 ASSI { 1364}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 139  and name HA  ))
      6.000     4.500     0.000 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.12517E-02 ppm1      7.688 ppm2      4.290 CV     1
 ASSI { 1365}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 236  and name HA  ))
      6.000     4.500     0.000 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.18830E-02 ppm1      7.425 ppm2      4.274 CV     1
 ASSI { 1366}
   (( segid "   A" and resid 247  and name HN  ))
   (( segid "   A" and resid 247  and name HA1 ))
      6.000     4.500     0.000 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.27349E-02 ppm1      8.390 ppm2      4.204 CV     1
 ASSI { 1367}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 235  and name HA  ))
      6.000     4.500     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.12181E-02 ppm1      7.423 ppm2      4.028 CV     1
 ASSI { 1368}
   (( segid "   A" and resid 247  and name HN  ))
   (( segid "   A" and resid 247  and name HA2 ))
      6.000     4.500     0.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.24701E-02 ppm1      8.391 ppm2      3.745 CV     1
 ASSI { 1369}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 140  and name HB1 ))
      6.000     4.500     0.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.25808E-02 ppm1      7.687 ppm2      3.719 CV     1
 ASSI { 1370}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 256  and name HB1 ))
      6.000     4.500     0.000 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.17793E-02 ppm1      7.425 ppm2      2.153 CV     1
 OR { 1370}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 256  and name HG2 ))
 ASSI { 1371}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 159  and name HB2 ))
      6.000     4.500     0.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.24980E-02 ppm1      7.688 ppm2      2.009 CV     1
 OR { 1371}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 159  and name HG1 ))
 ASSI { 1372}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 235  and name HG12))
      6.000     4.500     0.000 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.44634E-03 ppm1      7.434 ppm2      1.895 CV     1
 ASSI { 1373}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 236  and name HB1 ))
      6.000     4.500     0.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.27219E-02 ppm1      7.424 ppm2      1.679 CV     1
 ASSI { 1374}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 159  and name HB1 ))
      6.000     4.500     0.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.15733E-02 ppm1      7.688 ppm2      1.635 CV     1
 ASSI { 1375}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.28520E-02 ppm1      7.688 ppm2      1.501 CV     1
 ASSI { 1376}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 236  and name HB2 ))
      6.000     4.500     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.22924E-02 ppm1      7.425 ppm2      1.467 CV     1
 ASSI { 1377}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.25499E-02 ppm1      7.688 ppm2      1.384 CV     1
 ASSI { 1378}
   (( segid "   A" and resid 247  and name HN  ))
   (( segid "   A" and resid 248  and name HG1 ))
      6.000     4.500     0.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.67714E-03 ppm1      8.389 ppm2      1.338 CV     1
 OR { 1378}
   (( segid "   A" and resid 247  and name HN  ))
   (( segid "   A" and resid 248  and name HG2 ))
 ASSI { 1379}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 236  and name HG2 ))
      6.000     4.500     0.000 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.13672E-02 ppm1      7.424 ppm2      1.318 CV     1
 OR { 1379}
   (( segid "   A" and resid 237  and name HN  ))
   (( segid "   A" and resid 236  and name HG1 ))
 ASSI { 1380}
   (( segid "   A" and resid 247  and name HN  ))
   (  segid "   A" and resid 246  and name HG2%)
      6.000     4.500     0.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.97890E-03 ppm1      8.389 ppm2      1.172 CV     1
 ASSI { 1381}
   (( segid "   A" and resid 140  and name HN  ))
   (  segid "   A" and resid 141  and name HD1%)
      6.000     4.500     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.60046E-03 ppm1      7.692 ppm2      0.738 CV     1
 OR { 1381}
   (( segid "   A" and resid 140  and name HN  ))
   (  segid "   A" and resid 138  and name HD1%)
 ASSI { 1382}
   (( segid "   A" and resid 237  and name HN  ))
   (  segid "   A" and resid 235  and name HG2%)
      6.000     4.500     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.51119E-02 ppm1      7.424 ppm2      0.548 CV     1
 ASSI { 1383}
   (( segid "   A" and resid 140  and name HN  ))
   (  segid "   A" and resid 138  and name HG2%)
      6.000     4.500     0.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.35627E-02 ppm1      7.689 ppm2      0.511 CV     1
 ASSI { 1384}
   (( segid "   A" and resid 215  and name HN  ))
   (  segid "   A" and resid 216  and name HG2%)
      6.000     4.500     0.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.11521E-02 ppm1      8.223 ppm2      0.352 CV     1
 OR { 1384}
   (( segid "   A" and resid 215  and name HN  ))
   (  segid "   A" and resid 213  and name HG2%)
 ASSI { 1385}
   (( segid "   A" and resid 237  and name HN  ))
   (  segid "   A" and resid 255  and name HG2%)
      6.000     4.500     0.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.73360E-03 ppm1      7.420 ppm2      0.196 CV     1
 ASSI { 1386}
   (( segid "   A" and resid 140  and name HN  ))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.38225E-03 ppm1      7.688 ppm2      0.109 CV     1
 ASSI { 1389}
   (( segid "   A" and resid 283  and name HN  ))
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.54629E-02 ppm1      8.989 ppm2      5.358 CV     1
 ASSI { 1390}
   (( segid "   A" and resid 283  and name HN  ))
   (( segid "   A" and resid 211  and name HA  ))
      6.000     4.500     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.41582E-03 ppm1      8.999 ppm2      5.043 CV     1
 ASSI { 1391}
   (( segid "   A" and resid 283  and name HN  ))
   (( segid "   A" and resid 212  and name HA  ))
      6.000     4.500     0.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.46045E-03 ppm1      8.988 ppm2      4.722 CV     1
 ASSI { 1392}
   (( segid "   A" and resid 283  and name HN  ))
   (( segid "   A" and resid 283  and name HA1 ))
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.24640E-02 ppm1      8.989 ppm2      4.550 CV     1
 ASSI { 1393}
   (( segid "   A" and resid 283  and name HN  ))
   (( segid "   A" and resid 283  and name HA2 ))
      6.000     4.500     0.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.19185E-02 ppm1      8.989 ppm2      4.003 CV     1
 ASSI { 1394}
   (( segid "   A" and resid 283  and name HN  ))
   (( segid "   A" and resid 211  and name HB  ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.65425E-03 ppm1      8.987 ppm2      1.959 CV     1
 ASSI { 1395}
   (( segid "   A" and resid 283  and name HN  ))
   (( segid "   A" and resid 282  and name HB  ))
      6.000     4.500     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.79960E-03 ppm1      8.991 ppm2      1.751 CV     1
 ASSI { 1396}
   (( segid "   A" and resid 283  and name HN  ))
   (  segid "   A" and resid 282  and name HG2%)
      6.000     4.500     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.69278E-02 ppm1      8.989 ppm2      0.967 CV     1
 OR { 1396}
   (( segid "   A" and resid 283  and name HN  ))
   (  segid "   A" and resid 282  and name HG1%)
 OR { 1396}
   (( segid "   A" and resid 283  and name HN  ))
   (  segid "   A" and resid 168  and name HD2%)
 ASSI { 1397}
   (( segid "   A" and resid 283  and name HN  ))
   (  segid "   A" and resid 211  and name HD1%)
      6.000     4.500     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.46427E-03 ppm1      8.989 ppm2      0.716 CV     1
 ASSI { 1398}
   (( segid "   A" and resid 172  and name HE22))
   (( segid "   A" and resid 282  and name HN  ))
      6.000     4.500     0.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.56994E-03 ppm1      6.838 ppm2      8.666 CV     1
 ASSI { 1399}
   (( segid "   A" and resid 172  and name HE22))
   (( segid "   A" and resid 172  and name HE21))
      6.000     4.500     0.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.59054E-02 ppm1      6.836 ppm2      7.740 CV     1
 ASSI { 1401}
   (( segid "   A" and resid 172  and name HE21))
   (( segid "   A" and resid 271  and name HD22))
      6.000     4.500     0.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.56460E-03 ppm1      7.739 ppm2      6.517 CV     1
 ASSI { 1402}
   (( segid "   A" and resid 172  and name HE22))
   (( segid "   A" and resid 271  and name HD22))
      6.000     4.500     0.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.78129E-03 ppm1      6.834 ppm2      6.513 CV     1
 ASSI { 1403}
   (( segid "   A" and resid 172  and name HE21))
   (( segid "   A" and resid 172  and name HA  ))
      6.000     4.500     0.000 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.44939E-03 ppm1      7.741 ppm2      4.430 CV     1
 ASSI { 1404}
   (( segid "   A" and resid 172  and name HE21))
   (( segid "   A" and resid 172  and name HG2 ))
      6.000     4.500     0.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.14626E-02 ppm1      7.739 ppm2      2.742 CV     1
 ASSI { 1405}
   (( segid "   A" and resid 172  and name HE22))
   (( segid "   A" and resid 172  and name HG2 ))
      6.000     4.500     0.000 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      6.835 ppm2      2.750 CV     1
 ASSI { 1406}
   (( segid "   A" and resid 172  and name HE21))
   (( segid "   A" and resid 172  and name HG1 ))
      6.000     4.500     0.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.12837E-02 ppm1      7.738 ppm2      2.375 CV     1
 ASSI { 1407}
   (( segid "   A" and resid 172  and name HE22))
   (( segid "   A" and resid 172  and name HG1 ))
      6.000     4.500     0.000 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.11307E-02 ppm1      6.835 ppm2      2.375 CV     1
 ASSI { 1408}
   (( segid "   A" and resid 283  and name HN  ))
   (( segid "   A" and resid 212  and name HB1 ))
      6.000     4.500     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.54362E-03 ppm1      8.995 ppm2      2.292 CV     1
 ASSI { 1409}
   (( segid "   A" and resid 172  and name HE21))
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.74199E-03 ppm1      7.741 ppm2      1.720 CV     1
 OR { 1409}
   (( segid "   A" and resid 172  and name HE21))
   (( segid "   A" and resid 281  and name HB1 ))
 ASSI { 1410}
   (( segid "   A" and resid 172  and name HE22))
   (( segid "   A" and resid 172  and name HB2 ))
      6.000     4.500     0.000 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.52073E-03 ppm1      6.835 ppm2      1.736 CV     1
 OR { 1410}
   (( segid "   A" and resid 172  and name HE22))
   (( segid "   A" and resid 281  and name HB1 ))
 ASSI { 1411}
   (( segid "   A" and resid 172  and name HE21))
   (( segid "   A" and resid 281  and name HG1 ))
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.51692E-03 ppm1      7.738 ppm2      1.520 CV     1
 OR { 1411}
   (( segid "   A" and resid 172  and name HE21))
   (( segid "   A" and resid 168  and name HB1 ))
 ASSI { 1412}
   (( segid "   A" and resid 172  and name HE22))
   (  segid "   A" and resid 168  and name HD2%)
      6.000     4.500     0.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.81371E-03 ppm1      6.839 ppm2      0.963 CV     1
 OR { 1412}
   (( segid "   A" and resid 172  and name HE22))
   (( segid "   A" and resid 281  and name HG2 ))
 OR { 1412}
   (( segid "   A" and resid 172  and name HE22))
   (  segid "   A" and resid 282  and name HG1%)
 ASSI { 1413}
   (( segid "   A" and resid 172  and name HE21))
   (  segid "   A" and resid 168  and name HD1%)
      6.000     4.500     0.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.11170E-02 ppm1      7.741 ppm2      0.879 CV     1
 OR { 1413}
   (( segid "   A" and resid 172  and name HE21))
   (  segid "   A" and resid 176  and name HG2%)
 ASSI { 1414}
   (( segid "   A" and resid 172  and name HE22))
   (  segid "   A" and resid 168  and name HD1%)
      6.000     4.500     0.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.10785E-02 ppm1      6.835 ppm2      0.882 CV     1
 ASSI { 1415}
   (( segid "   A" and resid 283  and name HN  ))
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.42612E-03 ppm1      8.989 ppm2      0.336 CV     1
 ASSI { 1416}
   (( segid "   A" and resid 278  and name HE22))
   (( segid "   A" and resid 217  and name HN  ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.40438E-03 ppm1      6.707 ppm2      8.891 CV     1
 ASSI { 1417}
   (( segid "   A" and resid 278  and name HE21))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.48487E-03 ppm1      6.886 ppm2      8.049 CV     1
 ASSI { 1418}
   (( segid "   A" and resid 278  and name HE22))
   (( segid "   A" and resid 218  and name HN  ))
      6.000     4.500     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.50929E-03 ppm1      6.703 ppm2      8.052 CV     1
 OR { 1418}
   (( segid "   A" and resid 278  and name HE22))
   (( segid "   A" and resid 216  and name HN  ))
 ASSI { 1419}
   (( segid "   A" and resid 232  and name HN  ))
   (( segid "   A" and resid 233  and name HN  ))
      6.000     4.500     0.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.29516E-02 ppm1      7.067 ppm2      7.585 CV     1
 ASSI { 1421}
   (( segid "   A" and resid 232  and name HN  ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.40399E-02 ppm1      7.066 ppm2      7.321 CV     1
 ASSI { 1422}
   (( segid "   A" and resid 278  and name HE22))
   (( segid "   A" and resid 278  and name HE21))
      6.000     4.500     0.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.14355E-01 ppm1      6.707 ppm2      6.890 CV     1
 ASSI { 1424}
   (( segid "   A" and resid 232  and name HN  ))
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.86025E-03 ppm1      7.066 ppm2      5.015 CV     1
 ASSI { 1425}
   (( segid "   A" and resid 232  and name HN  ))
   (( segid "   A" and resid 232  and name HA  ))
      6.000     4.500     0.000 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.24518E-02 ppm1      7.066 ppm2      4.218 CV     1
 ASSI { 1426}
   (( segid "   A" and resid 232  and name HN  ))
   (( segid "   A" and resid 231  and name HA  ))
      6.000     4.500     0.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.12993E-02 ppm1      7.067 ppm2      3.853 CV     1
 ASSI { 1427}
   (( segid "   A" and resid 278  and name HE21))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.16793E-02 ppm1      6.891 ppm2      3.849 CV     1
 ASSI { 1428}
   (( segid "   A" and resid 278  and name HE22))
   (( segid "   A" and resid 217  and name HA  ))
      6.000     4.500     0.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.14325E-02 ppm1      6.708 ppm2      3.847 CV     1
 ASSI { 1429}
   (( segid "   A" and resid 232  and name HN  ))
   (( segid "   A" and resid 232  and name HB1 ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.17594E-02 ppm1      7.064 ppm2      3.410 CV     1
 ASSI { 1430}
   (( segid "   A" and resid 232  and name HN  ))
   (( segid "   A" and resid 232  and name HB2 ))
      6.000     4.500     0.000 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.24549E-02 ppm1      7.067 ppm2      2.687 CV     1
 ASSI { 1431}
   (( segid "   A" and resid 278  and name HE21))
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      6.891 ppm2      2.220 CV     1
 ASSI { 1432}
   (( segid "   A" and resid 278  and name HE22))
   (( segid "   A" and resid 278  and name HG1 ))
      6.000     4.500     0.000 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.59207E-03 ppm1      6.710 ppm2      2.225 CV     1
 ASSI { 1433}
   (( segid "   A" and resid 278  and name HE21))
   (( segid "   A" and resid 278  and name HB2 ))
      6.000     4.500     0.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.15168E-02 ppm1      6.892 ppm2      2.109 CV     1
 ASSI { 1434}
   (( segid "   A" and resid 278  and name HE22))
   (( segid "   A" and resid 278  and name HB2 ))
      6.000     4.500     0.000 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.63556E-03 ppm1      6.708 ppm2      2.107 CV     1
 ASSI { 1435}
   (( segid "   A" and resid 278  and name HE21))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.13283E-02 ppm1      6.891 ppm2      1.925 CV     1
 ASSI { 1436}
   (( segid "   A" and resid 278  and name HE22))
   (( segid "   A" and resid 278  and name HB1 ))
      6.000     4.500     0.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.63937E-03 ppm1      6.707 ppm2      1.926 CV     1
 ASSI { 1437}
   (( segid "   A" and resid 232  and name HN  ))
   (  segid "   A" and resid 231  and name HB% )
      6.000     4.500     0.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.22893E-02 ppm1      7.066 ppm2      0.908 CV     1
 ASSI { 1439}
   (( segid "   A" and resid 246  and name HN  ))
   (( segid "   A" and resid 248  and name HN  ))
      6.000     4.500     0.000 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.42460E-03 ppm1      7.603 ppm2      7.913 CV     1
 ASSI { 1440}
   (( segid "   A" and resid 246  and name HN  ))
   (( segid "   A" and resid 246  and name HA  ))
      6.000     4.500     0.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.17964E-02 ppm1      7.607 ppm2      4.413 CV     1
 ASSI { 1441}
   (( segid "   A" and resid 246  and name HN  ))
   (( segid "   A" and resid 246  and name HB  ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.26296E-02 ppm1      7.602 ppm2      4.237 CV     1
 ASSI { 1442}
   (( segid "   A" and resid 149  and name HN  ))
   (( segid "   A" and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.64662E-03 ppm1      7.706 ppm2      4.074 CV     1
 ASSI { 1443}
   (( segid "   A" and resid 149  and name HN  ))
   (( segid "   A" and resid 148  and name HB  ))
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.79197E-03 ppm1      7.710 ppm2      2.213 CV     1
 ASSI { 1444}
   (( segid "   A" and resid 246  and name HN  ))
   (  segid "   A" and resid 246  and name HG2%)
      6.000     4.500     0.000 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.28173E-02 ppm1      7.607 ppm2      1.174 CV     1
 ASSI { 1445}
   (( segid "   A" and resid 149  and name HN  ))
   (  segid "   A" and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.10205E-02 ppm1      7.710 ppm2      1.081 CV     1
 ASSI { 1446}
   (( segid "   A" and resid 149  and name HN  ))
   (  segid "   A" and resid 148  and name HG2%)
      6.000     4.500     0.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.53065E-03 ppm1      7.710 ppm2      0.874 CV     1
 ASSI { 1448}
   (( segid "   A" and resid 233  and name HN  ))
   (  segid "   A" and resid 232  and name HD% )
      6.000     4.500     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.11109E-02 ppm1      7.584 ppm2      7.321 CV     1
 ASSI { 1450}
   (( segid "   A" and resid 233  and name HN  ))
   (  segid "   A" and resid 257  and name HE% )
      6.000     4.500     0.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.11231E-02 ppm1      7.580 ppm2      6.626 CV     1
 ASSI { 1451}
   (( segid "   A" and resid 233  and name HN  ))
   (( segid "   A" and resid 230  and name HA  ))
      6.000     4.500     0.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.23721E-02 ppm1      7.583 ppm2      5.015 CV     1
 ASSI { 1452}
   (( segid "   A" and resid 233  and name HN  ))
   (( segid "   A" and resid 233  and name HA1 ))
      6.000     4.500     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.21577E-02 ppm1      7.583 ppm2      4.513 CV     1
 ASSI { 1453}
   (( segid "   A" and resid 233  and name HN  ))
   (( segid "   A" and resid 232  and name HA  ))
      6.000     4.500     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.22161E-02 ppm1      7.590 ppm2      4.226 CV     1
 ASSI { 1454}
   (( segid "   A" and resid 233  and name HN  ))
   (( segid "   A" and resid 233  and name HA2 ))
      6.000     4.500     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.35108E-02 ppm1      7.583 ppm2      3.861 CV     1
 ASSI { 1455}
   (( segid "   A" and resid 233  and name HN  ))
   (( segid "   A" and resid 232  and name HB1 ))
      6.000     4.500     0.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.63632E-03 ppm1      7.582 ppm2      3.414 CV     1
 ASSI { 1456}
   (( segid "   A" and resid 233  and name HN  ))
   (( segid "   A" and resid 232  and name HB2 ))
      6.000     4.500     0.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.10479E-02 ppm1      7.583 ppm2      2.697 CV     1
 ASSI { 1457}
   (( segid "   A" and resid 233  and name HN  ))
   (  segid "   A" and resid 231  and name HB% )
      6.000     4.500     0.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.67371E-03 ppm1      7.587 ppm2      0.909 CV     1
 ASSI { 1458}
   (( segid "   A" and resid 233  and name HN  ))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.46427E-03 ppm1      7.586 ppm2      0.646 CV     1
 ASSI { 1459}
   (( segid "   A" and resid 233  and name HN  ))
   (( segid "   A" and resid 234  and name HN  ))
      6.000     4.500     0.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.47343E-03 ppm1      7.585 ppm2      8.023 CV     1
 ASSI { 1460}
   (( segid "   A" and resid 162  and name HN  ))
   (  segid "   A" and resid 166  and name HB% )
      6.000     4.500     0.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.43909E-03 ppm1      6.826 ppm2      1.435 CV     1
 ASSI { 1462}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 160  and name HN  ))
      6.000     4.500     0.000 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.52073E-03 ppm1      6.830 ppm2      8.912 CV     1
 ASSI { 1464}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 160  and name HA  ))
      6.000     4.500     0.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.88619E-03 ppm1      6.830 ppm2      5.066 CV     1
 ASSI { 1465}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 162  and name HA  ))
      6.000     4.500     0.000 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.16534E-02 ppm1      6.828 ppm2      4.838 CV     1
 ASSI { 1466}
   (( segid "   A" and resid 287  and name HN  ))
   (( segid "   A" and resid 285  and name HA  ))
      6.000     4.500     0.000 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.20074E-02 ppm1      7.200 ppm2      4.727 CV     1
 ASSI { 1467}
   (( segid "   A" and resid 287  and name HN  ))
   (( segid "   A" and resid 287  and name HA  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.81371E-03 ppm1      7.199 ppm2      4.602 CV     1
 ASSI { 1468}
   (( segid "   A" and resid 287  and name HN  ))
   (( segid "   A" and resid 286  and name HA  ))
      6.000     4.500     0.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.14344E-02 ppm1      7.199 ppm2      4.485 CV     1
 ASSI { 1469}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 161  and name HA  ))
      6.000     4.500     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.97127E-03 ppm1      6.831 ppm2      4.179 CV     1
 ASSI { 1470}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 163  and name HD2 ))
      6.000     4.500     0.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.65959E-03 ppm1      6.829 ppm2      3.572 CV     1
 OR { 1470}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 112  and name HB1 ))
 ASSI { 1471}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 160  and name HB1 ))
      6.000     4.500     0.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.20318E-02 ppm1      6.829 ppm2      3.116 CV     1
 ASSI { 1472}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 160  and name HB2 ))
      6.000     4.500     0.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.15233E-02 ppm1      6.827 ppm2      2.725 CV     1
 ASSI { 1473}
   (( segid "   A" and resid 287  and name HN  ))
   (( segid "   A" and resid 286  and name HB  ))
      6.000     4.500     0.000 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.11998E-02 ppm1      7.198 ppm2      2.339 CV     1
 ASSI { 1474}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 162  and name HB  ))
      6.000     4.500     0.000 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.21791E-02 ppm1      6.829 ppm2      2.201 CV     1
 ASSI { 1475}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 161  and name HB1 ))
      6.000     4.500     0.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.97584E-03 ppm1      6.828 ppm2      1.963 CV     1
 ASSI { 1476}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.40552E-03 ppm1      6.507 ppm2      1.730 CV     1
 ASSI { 1477}
   (( segid "   A" and resid 135  and name HN  ))
   (  segid "   A" and resid 133  and name HB% )
      6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.45550E-03 ppm1      6.504 ppm2      1.592 CV     1
 ASSI { 1478}
   (( segid "   A" and resid 287  and name HN  ))
   (  segid "   A" and resid 285  and name HB% )
      6.000     4.500     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.28867E-02 ppm1      7.199 ppm2      1.491 CV     1
 ASSI { 1479}
   (( segid "   A" and resid 287  and name HN  ))
   (  segid "   A" and resid 287  and name HG2%)
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.26418E-02 ppm1      7.199 ppm2      1.084 CV     1
 ASSI { 1480}
   (( segid "   A" and resid 162  and name HN  ))
   (  segid "   A" and resid 162  and name HG1%)
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.11719E-02 ppm1      6.828 ppm2      1.035 CV     1
 ASSI { 1481}
   (( segid "   A" and resid 287  and name HN  ))
   (  segid "   A" and resid 286  and name HG1%)
      6.000     4.500     0.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.15279E-02 ppm1      7.201 ppm2      0.766 CV     1
 ASSI { 1482}
   (( segid "   A" and resid 162  and name HN  ))
   (  segid "   A" and resid 162  and name HG2%)
      6.000     4.500     0.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.29863E-02 ppm1      6.828 ppm2      0.756 CV     1
 ASSI { 1483}
   (( segid "   A" and resid 162  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      6.829 ppm2      0.628 CV     1
 ASSI { 1484}
   (( segid "   A" and resid 287  and name HN  ))
   (  segid "   A" and resid 286  and name HG2%)
      6.000     4.500     0.000 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.20444E-02 ppm1      7.197 ppm2      0.527 CV     1
 ASSI { 1485}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.53065E-03 ppm1      6.504 ppm2      0.264 CV     1
 ASSI { 1486}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 160  and name HH  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.70537E-03 ppm1      6.503 ppm2      9.344 CV     1
 ASSI { 1487}
   (( segid "   A" and resid 287  and name HN  ))
   (( segid "   A" and resid 285  and name HN  ))
      6.000     4.500     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.37844E-03 ppm1      7.200 ppm2      7.691 CV     1
 ASSI { 1488}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 136  and name HN  ))
      6.000     4.500     0.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.28604E-02 ppm1      6.505 ppm2      7.694 CV     1
 ASSI { 1489}
   (( segid "   A" and resid 135  and name HN  ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.29298E-02 ppm1      6.506 ppm2      7.246 CV     1
 ASSI { 1490}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 132  and name HA  ))
      6.000     4.500     0.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.61038E-03 ppm1      6.510 ppm2      4.710 CV     1
 OR { 1490}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 133  and name HA  ))
 ASSI { 1491}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.71376E-03 ppm1      6.506 ppm2      4.010 CV     1
 ASSI { 1492}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.15279E-02 ppm1      6.506 ppm2      3.849 CV     1
 ASSI { 1493}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 134  and name HD1 ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.45817E-03 ppm1      6.508 ppm2      3.689 CV     1
 ASSI { 1494}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.12562E-02 ppm1      6.506 ppm2      3.418 CV     1
 ASSI { 1495}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 134  and name HD2 ))
      6.000     4.500     0.000 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.52378E-03 ppm1      6.507 ppm2      3.048 CV     1
 ASSI { 1496}
   (( segid "   A" and resid 135  and name HN  ))
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.14996E-02 ppm1      6.505 ppm2      2.591 CV     1
 ASSI { 1497}
   (( segid "   A" and resid 124  and name HN  ))
   (( segid "   A" and resid 124  and name HA2 ))
      6.000     4.500     0.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.11674E-02 ppm1      8.236 ppm2      4.482 CV     1
 ASSI { 1498}
   (( segid "   A" and resid 124  and name HN  ))
   (( segid "   A" and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.33155E-02 ppm1      8.237 ppm2      4.367 CV     1
 ASSI { 1499}
   (( segid "   A" and resid 124  and name HN  ))
   (( segid "   A" and resid 127  and name HB  ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.39255E-03 ppm1      8.237 ppm2      4.145 CV     1
 ASSI { 1500}
   (( segid "   A" and resid 124  and name HN  ))
   (( segid "   A" and resid 124  and name HA1 ))
      6.000     4.500     0.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      8.235 ppm2      3.901 CV     1
 ASSI { 1501}
   (( segid "   A" and resid 124  and name HN  ))
   (( segid "   A" and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.49250E-03 ppm1      8.231 ppm2      1.893 CV     1
 ASSI { 1502}
   (( segid "   A" and resid 124  and name HN  ))
   (( segid "   A" and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.10663E-02 ppm1      8.232 ppm2      1.320 CV     1
 ASSI { 1503}
   (( segid "   A" and resid 124  and name HN  ))
   (  segid "   A" and resid 123  and name HD1%)
      6.000     4.500     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.12074E-02 ppm1      8.236 ppm2      0.906 CV     1
 OR { 1503}
   (( segid "   A" and resid 124  and name HN  ))
   (  segid "   A" and resid 123  and name HD2%)
 ASSI { 1504}
   (( segid "   A" and resid 277  and name HN  ))
   (( segid "   A" and resid 276  and name HN  ))
      6.000     4.500     0.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.56384E-03 ppm1      8.445 ppm2      9.031 CV     1
 ASSI { 1506}
   (( segid "   A" and resid 277  and name HN  ))
   (( segid "   A" and resid 274  and name HA  ))
      6.000     4.500     0.000 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.60428E-03 ppm1      8.436 ppm2      4.311 CV     1
 OR { 1506}
   (( segid "   A" and resid 277  and name HN  ))
   (( segid "   A" and resid 278  and name HA  ))
 ASSI { 1507}
   (( segid "   A" and resid 277  and name HN  ))
   (( segid "   A" and resid 277  and name HA1 ))
      6.000     4.500     0.000 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.36146E-02 ppm1      8.436 ppm2      4.042 CV     1
 ASSI { 1508}
   (( segid "   A" and resid 277  and name HN  ))
   (( segid "   A" and resid 277  and name HA2 ))
      6.000     4.500     0.000 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.47800E-02 ppm1      8.436 ppm2      3.548 CV     1
 ASSI { 1509}
   (( segid "   A" and resid 136  and name HN  ))
   (( segid "   A" and resid 212  and name HH  ))
      6.000     4.500     0.000 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.54515E-03 ppm1      7.692 ppm2      9.066 CV     1
 ASSI { 1510}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 254  and name HN  ))
      6.000     4.500     0.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.59207E-03 ppm1      8.743 ppm2      7.782 CV     1
 ASSI { 1512}
   (( segid "   A" and resid 136  and name HN  ))
   (  segid "   A" and resid 135  and name HD% )
      6.000     4.500     0.000 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.89688E-03 ppm1      7.690 ppm2      7.247 CV     1
 ASSI { 1513}
   (( segid "   A" and resid 253  and name HN  ))
   (  segid "   A" and resid 252  and name HD% )
      6.000     4.500     0.000 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.22557E-02 ppm1      8.747 ppm2      6.780 CV     1
 ASSI { 1514}
   (( segid "   A" and resid 136  and name HN  ))
   (  segid "   A" and resid 160  and name HD% )
      6.000     4.500     0.000 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.90031E-03 ppm1      7.690 ppm2      6.780 CV     1
 OR { 1514}
   (( segid "   A" and resid 136  and name HN  ))
   (  segid "   A" and resid 252  and name HD% )
 ASSI { 1516}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 252  and name HA  ))
      6.000     4.500     0.000 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.31164E-02 ppm1      8.746 ppm2      5.583 CV     1
 ASSI { 1517}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.10968E-02 ppm1      8.747 ppm2      5.068 CV     1
 ASSI { 1518}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 212  and name HA  ))
      6.000     4.500     0.000 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.39217E-03 ppm1      8.751 ppm2      4.710 CV     1
 ASSI { 1519}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 253  and name HA2 ))
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      8.745 ppm2      4.037 CV     1
 ASSI { 1520}
   (( segid "   A" and resid 136  and name HN  ))
   (( segid "   A" and resid 136  and name HA2 ))
      6.000     4.500     0.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.20196E-02 ppm1      7.691 ppm2      4.056 CV     1
 ASSI { 1521}
   (( segid "   A" and resid 136  and name HN  ))
   (( segid "   A" and resid 136  and name HA1 ))
      6.000     4.500     0.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.27566E-02 ppm1      7.691 ppm2      3.890 CV     1
 ASSI { 1522}
   (( segid "   A" and resid 136  and name HN  ))
   (( segid "   A" and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.10693E-02 ppm1      7.693 ppm2      3.436 CV     1
 ASSI { 1523}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 252  and name HB2 ))
      6.000     4.500     0.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.19891E-02 ppm1      8.747 ppm2      2.987 CV     1
 ASSI { 1524}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 252  and name HB1 ))
      6.000     4.500     0.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.16969E-02 ppm1      8.747 ppm2      2.737 CV     1
 ASSI { 1525}
   (( segid "   A" and resid 136  and name HN  ))
   (  segid "   A" and resid 133  and name HB% )
      6.000     4.500     0.000 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.47648E-03 ppm1      7.695 ppm2      1.580 CV     1
 ASSI { 1526}
   (( segid "   A" and resid 136  and name HN  ))
   (  segid "   A" and resid 214  and name HB% )
      6.000     4.500     0.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.85377E-03 ppm1      7.692 ppm2      1.257 CV     1
 ASSI { 1527}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 213  and name HB  ))
      6.000     4.500     0.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.13672E-02 ppm1      8.747 ppm2      1.229 CV     1
 OR { 1527}
   (( segid "   A" and resid 253  and name HN  ))
   (  segid "   A" and resid 214  and name HB% )
 ASSI { 1528}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 240  and name HB1 ))
      6.000     4.500     0.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.62335E-03 ppm1      8.750 ppm2      0.756 CV     1
 OR { 1528}
   (( segid "   A" and resid 253  and name HN  ))
   (  segid "   A" and resid 241  and name HB% )
 OR { 1528}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 164  and name HB2 ))
 ASSI { 1529}
   (( segid "   A" and resid 136  and name HN  ))
   (  segid "   A" and resid 138  and name HD1%)
      6.000     4.500     0.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.50013E-03 ppm1      7.692 ppm2      0.748 CV     1
 OR { 1529}
   (( segid "   A" and resid 136  and name HN  ))
   (  segid "   A" and resid 162  and name HG2%)
 ASSI { 1530}
   (( segid "   A" and resid 253  and name HN  ))
   (  segid "   A" and resid 213  and name HG1%)
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.22710E-02 ppm1      8.747 ppm2      0.354 CV     1
 OR { 1530}
   (( segid "   A" and resid 253  and name HN  ))
   (  segid "   A" and resid 216  and name HG2%)
 ASSI { 1531}
   (( segid "   A" and resid 253  and name HN  ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.98347E-03 ppm1      8.748 ppm2      0.058 CV     1
 ASSI { 1532}
   (( segid "   A" and resid 136  and name HN  ))
   (( segid "   A" and resid 160  and name HH  ))
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.50089E-03 ppm1      7.691 ppm2      9.344 CV     1
 ASSI { 1533}
   (( segid "   A" and resid 136  and name HN  ))
   (( segid "   A" and resid 165  and name HN  ))
      6.000     4.500     0.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.50623E-03 ppm1      7.692 ppm2      6.290 CV     1
 ASSI { 1534}
   (( segid "   A" and resid 136  and name HN  ))
   (( segid "   A" and resid 133  and name HA  ))
      6.000     4.500     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.10434E-02 ppm1      7.693 ppm2      4.690 CV     1
 ASSI { 1535}
   (( segid "   A" and resid 136  and name HN  ))
   (( segid "   A" and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.61801E-03 ppm1      7.692 ppm2      2.588 CV     1
 ASSI { 1536}
   (( segid "   A" and resid 136  and name HN  ))
   (  segid "   A" and resid 165  and name HB% )
      6.000     4.500     0.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      7.693 ppm2      0.627 CV     1
 ASSI { 1537}
   (( segid "   A" and resid 287  and name HN  ))
   (( segid "   A" and resid 287  and name HB  ))
      6.000     4.500     0.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.36699E-03 ppm1      7.197 ppm2      4.185 CV     1
 ASSI { 1538}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 284  and name HD1 ))
      6.000     4.500     0.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.16839E-02 ppm1      8.577 ppm2      1.701 CV     1
 OR { 1538}
   (( segid "   A" and resid 284  and name HN  ))
   (( segid "   A" and resid 284  and name HD2 ))
 ASSI { 1539}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 282  and name HA  ))
      6.000     4.500     0.000 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.13314E-02 ppm1      8.659 ppm2      5.355 CV     1
 ASSI { 1540}
   (( segid "   A" and resid 281  and name HN  ))
   (( segid "   A" and resid 281  and name HB2 ))
      6.000     4.500     0.000 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.16316E-02 ppm1      7.744 ppm2      1.730 CV     1
 OR { 1540}
   (( segid "   A" and resid 281  and name HN  ))
   (( segid "   A" and resid 281  and name HB1 ))
 ASSI { 1541}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 280  and name HA  ))
      6.000     4.500     0.000 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.23385E-02 ppm1      9.218 ppm2      4.441 CV     1
 ASSI { 1542}
   (( segid "   A" and resid 280  and name HN  ))
   (( segid "   A" and resid 280  and name HG  ))
      6.000     4.500     0.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.27002E-02 ppm1      9.220 ppm2      2.227 CV     1
 ASSI { 1543}
   (( segid "   A" and resid 280  and name HN  ))
   (  segid "   A" and resid 280  and name HD1%)
      6.000     4.500     0.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.11918E-02 ppm1      9.218 ppm2      1.003 CV     1
 ASSI { 1544}
   (( segid "   A" and resid 278  and name HN  ))
   (( segid "   A" and resid 278  and name HG2 ))
      6.000     4.500     0.000 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.14130E-02 ppm1      7.091 ppm2      2.316 CV     1
 ASSI { 1545}
   (( segid "   A" and resid 275  and name HN  ))
   (  segid "   A" and resid 275  and name HD2%)
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.79616E-03 ppm1      8.462 ppm2      0.928 CV     1
 ASSI { 1546}
   (( segid "   A" and resid 272  and name HN  ))
   (( segid "   A" and resid 272  and name HG  ))
      6.000     4.500     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.13867E-02 ppm1      9.207 ppm2      1.503 CV     1
 ASSI { 1547}
   (( segid "   A" and resid 271  and name HN  ))
   (( segid "   A" and resid 271  and name HB1 ))
      6.000     4.500     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.44634E-02 ppm1      7.804 ppm2      2.815 CV     1
 ASSI { 1548}
   (( segid "   A" and resid 263  and name HN  ))
   (( segid "   A" and resid 263  and name HB2 ))
      6.000     4.500     0.000 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.23999E-02 ppm1      6.855 ppm2      3.735 CV     1
 ASSI { 1549}
   (( segid "   A" and resid 253  and name HN  ))
   (( segid "   A" and resid 253  and name HA1 ))
      6.000     4.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.16793E-02 ppm1      8.747 ppm2      4.005 CV     1
 ASSI { 1550}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 250  and name HB1 ))
      6.000     4.500     0.000 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.31511E-02 ppm1      8.599 ppm2      1.327 CV     1
 ASSI { 1551}
   (( segid "   A" and resid 245  and name HN  ))
   (( segid "   A" and resid 245  and name HA  ))
      6.000     4.500     0.000 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.16316E-02 ppm1      8.407 ppm2      4.212 CV     1
 ASSI { 1552}
   (( segid "   A" and resid 240  and name HN  ))
   (( segid "   A" and resid 240  and name HA  ))
      6.000     4.500     0.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.18529E-02 ppm1      8.575 ppm2      4.569 CV     1
 ASSI { 1553}
   (( segid "   A" and resid 240  and name HN  ))
   (  segid "   A" and resid 240  and name HD2%)
      6.000     4.500     0.000 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.14302E-02 ppm1      8.579 ppm2      0.062 CV     1
 ASSI { 1554}
   (( segid "   A" and resid 239  and name HN  ))
   (( segid "   A" and resid 239  and name HA  ))
      6.000     4.500     0.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.39064E-02 ppm1      8.156 ppm2      4.844 CV     1
 ASSI { 1555}
   (( segid "   A" and resid 235  and name HN  ))
   (  segid "   A" and resid 235  and name HD1%)
      6.000     4.500     0.000 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.87742E-03 ppm1      9.258 ppm2      0.641 CV     1
 ASSI { 1556}
   (( segid "   A" and resid 225  and name HN  ))
   (  segid "   A" and resid 225  and name HD1%)
      6.000     4.500     0.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.21424E-02 ppm1      7.304 ppm2      0.605 CV     1
 ASSI { 1557}
   (( segid "   A" and resid 218  and name HN  ))
   (( segid "   A" and resid 218  and name HB1 ))
      6.000     4.500     0.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.32377E-02 ppm1      8.044 ppm2      1.825 CV     1
 ASSI { 1558}
   (( segid "   A" and resid 214  and name HN  ))
   (( segid "   A" and resid 214  and name HA  ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.14432E-02 ppm1      8.901 ppm2      5.065 CV     1
 ASSI { 1559}
   (( segid "   A" and resid 213  and name HN  ))
   (  segid "   A" and resid 213  and name HG2%)
      6.000     4.500     0.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.30988E-02 ppm1      7.611 ppm2      0.350 CV     1
 ASSI { 1560}
   (( segid "   A" and resid 211  and name HN  ))
   (( segid "   A" and resid 211  and name HG11))
      6.000     4.500     0.000 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.14584E-02 ppm1      9.503 ppm2      1.021 CV     1
 ASSI { 1562}
   (( segid "   A" and resid 204  and name HN  ))
   (( segid "   A" and resid 204  and name HB1 ))
      6.000     4.500     0.000 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.28520E-02 ppm1      8.440 ppm2      2.061 CV     1
 ASSI { 1563}
   (( segid "   A" and resid 203  and name HN  ))
   (( segid "   A" and resid 203  and name HG2 ))
      6.000     4.500     0.000 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.39522E-02 ppm1      7.770 ppm2      2.274 CV     1
 ASSI { 1564}
   (( segid "   A" and resid 203  and name HN  ))
   (( segid "   A" and resid 203  and name HG1 ))
      6.000     4.500     0.000 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.35803E-02 ppm1      7.777 ppm2      2.274 CV     1
 ASSI { 1565}
   (( segid "   A" and resid 201  and name HN  ))
   (  segid "   A" and resid 201  and name HD2%)
      6.000     4.500     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.35238E-02 ppm1      8.609 ppm2      0.776 CV     1
 ASSI { 1566}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 200  and name HG1 ))
      6.000     4.500     0.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.22988E-02 ppm1      7.621 ppm2      2.533 CV     1
 ASSI { 1567}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 200  and name HB2 ))
      6.000     4.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.59741E-02 ppm1      7.621 ppm2      2.167 CV     1
 ASSI { 1568}
   (( segid "   A" and resid 199  and name HN  ))
   (( segid "   A" and resid 199  and name HB1 ))
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.46694E-02 ppm1      8.617 ppm2      2.629 CV     1
 ASSI { 1569}
   (( segid "   A" and resid 197  and name HN  ))
   (  segid "   A" and resid 197  and name HD1%)
      6.000     4.500     0.000 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.20963E-02 ppm1      7.122 ppm2      0.774 CV     1
 ASSI { 1570}
   (( segid "   A" and resid 285  and name HN  ))
   (( segid "   A" and resid 284  and name HB1 ))
      6.000     4.500     0.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.24766E-02 ppm1      7.687 ppm2      1.821 CV     1
 ASSI { 1572}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 281  and name HB1 ))
      6.000     4.500     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.33548E-02 ppm1      8.657 ppm2      1.715 CV     1
 OR { 1572}
   (( segid "   A" and resid 282  and name HN  ))
   (( segid "   A" and resid 281  and name HB2 ))
 ASSI { 1574}
   (( segid "   A" and resid 274  and name HN  ))
   (( segid "   A" and resid 273  and name HA  ))
      6.000     4.500     0.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.97088E-02 ppm1      7.882 ppm2      4.279 CV     1
 ASSI { 1575}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 269  and name HB1 ))
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.34067E-03 ppm1      7.725 ppm2      3.684 CV     1
 ASSI { 1576}
   (( segid "   A" and resid 270  and name HN  ))
   (( segid "   A" and resid 267  and name HA  ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.53370E-03 ppm1      7.726 ppm2      3.440 CV     1
 ASSI { 1578}
   (( segid "   A" and resid 267  and name HN  ))
   (( segid "   A" and resid 263  and name HA  ))
      6.000     4.500     0.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.31244E-03 ppm1      7.678 ppm2      3.664 CV     1
 ASSI { 1579}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 264  and name HA  ))
      6.000     4.500     0.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.71185E-03 ppm1      7.890 ppm2      3.908 CV     1
 ASSI { 1580}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 256  and name HA  ))
      6.000     4.500     0.000 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.34155E-02 ppm1      8.806 ppm2      5.001 CV     1
 ASSI { 1581}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 253  and name HA2 ))
      6.000     4.500     0.000 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.33071E-02 ppm1      7.773 ppm2      4.067 CV     1
 ASSI { 1582}
   (( segid "   A" and resid 250  and name HN  ))
   (( segid "   A" and resid 252  and name HN  ))
      6.000     4.500     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.37081E-03 ppm1      8.599 ppm2      7.088 CV     1
 ASSI { 1584}
   (( segid "   A" and resid 231  and name HN  ))
   (( segid "   A" and resid 229  and name HN  ))
      6.000     4.500     0.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.35974E-03 ppm1      7.442 ppm2      8.300 CV     1
 ASSI { 1585}
   (( segid "   A" and resid 230  and name HN  ))
   (( segid "   A" and resid 232  and name HN  ))
      6.000     4.500     0.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.35097E-03 ppm1      8.882 ppm2      7.067 CV     1
 ASSI { 1587}
   (( segid "   A" and resid 227  and name HN  ))
   (( segid "   A" and resid 226  and name HB2 ))
      6.000     4.500     0.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.27566E-02 ppm1      7.891 ppm2      1.952 CV     1
 ASSI { 1588}
   (( segid "   A" and resid 225  and name HN  ))
   (( segid "   A" and resid 227  and name HN  ))
      6.000     4.500     0.000 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.28459E-03 ppm1      7.292 ppm2      7.870 CV     1
 ASSI { 1589}
   (( segid "   A" and resid 217  and name HN  ))
   (( segid "   A" and resid 216  and name HN  ))
      6.000     4.500     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.65730E-03 ppm1      8.897 ppm2      8.064 CV     1
 ASSI { 1593}
   (( segid "   A" and resid 200  and name HN  ))
   (( segid "   A" and resid 199  and name HB1 ))
      6.000     4.500     0.000 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.30557E-02 ppm1      7.622 ppm2      2.635 CV     1
 ASSI { 1594}
   (( segid "   A" and resid 198  and name HN  ))
   (( segid "   A" and resid 197  and name HB  ))
      6.000     4.500     0.000 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.42841E-02 ppm1      7.944 ppm2      1.968 CV     1
 ASSI { 1595}
   (( segid "   A" and resid 184  and name HN  ))
   (( segid "   A" and resid 184  and name HB1 ))
      6.000     4.500     0.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.38301E-02 ppm1      7.942 ppm2      1.554 CV     1
 ASSI { 1596}
   (( segid "   A" and resid 183  and name HN  ))
   (  segid "   A" and resid 183  and name HD1%)
      6.000     4.500     0.000 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.22374E-02 ppm1      8.322 ppm2      0.851 CV     1
 ASSI { 1597}
   (( segid "   A" and resid 177  and name HN  ))
   (( segid "   A" and resid 177  and name HG1 ))
      6.000     4.500     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.16534E-02 ppm1      8.233 ppm2      2.266 CV     1
 ASSI { 1598}
   (( segid "   A" and resid 172  and name HN  ))
   (( segid "   A" and resid 172  and name HG1 ))
      6.000     4.500     0.000 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.33632E-02 ppm1      8.155 ppm2      2.361 CV     1
 ASSI { 1599}
   (( segid "   A" and resid 171  and name HN  ))
   (( segid "   A" and resid 171  and name HG1 ))
      6.000     4.500     0.000 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.32201E-02 ppm1      7.566 ppm2      2.197 CV     1
 ASSI { 1600}
   (( segid "   A" and resid 170  and name HN  ))
   (( segid "   A" and resid 170  and name HG  ))
      6.000     4.500     0.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.49708E-02 ppm1      7.980 ppm2      1.702 CV     1
 ASSI { 1601}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 168  and name HA  ))
      6.000     4.500     0.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.30382E-02 ppm1      7.446 ppm2      4.005 CV     1
 ASSI { 1602}
   (( segid "   A" and resid 168  and name HN  ))
   (( segid "   A" and resid 165  and name HA  ))
      6.000     4.500     0.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      7.438 ppm2      3.612 CV     1
 ASSI { 1603}
   (( segid "   A" and resid 166  and name HN  ))
   (( segid "   A" and resid 165  and name HA  ))
      6.000     4.500     0.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.18830E-02 ppm1      5.891 ppm2      3.610 CV     1
 ASSI { 1604}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 161  and name HG1 ))
      6.000     4.500     0.000 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.23721E-02 ppm1      8.709 ppm2      2.250 CV     1
 OR { 1604}
   (( segid "   A" and resid 161  and name HN  ))
   (( segid "   A" and resid 161  and name HG2 ))
 ASSI { 1605}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 159  and name HG1 ))
      6.000     4.500     0.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.30340E-02 ppm1      8.616 ppm2      2.009 CV     1
 OR { 1605}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 159  and name HG2 ))
 ASSI { 1606}
   (( segid "   A" and resid 158  and name HN  ))
   (  segid "   A" and resid 158  and name HG1%)
      6.000     4.500     0.000 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.11109E-02 ppm1      8.873 ppm2      0.101 CV     1
 ASSI { 1607}
   (( segid "   A" and resid 162  and name HN  ))
   (( segid "   A" and resid 161  and name HB2 ))
      6.000     4.500     0.000 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.21791E-02 ppm1      6.829 ppm2      2.201 CV     1
 ASSI { 1609}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 158  and name HB  ))
      6.000     4.500     0.000 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.11933E-02 ppm1      8.614 ppm2      1.413 CV     1
 ASSI { 1610}
   (( segid "   A" and resid 149  and name HN  ))
   (( segid "   A" and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.64662E-03 ppm1      7.706 ppm2      4.074 CV     1
 ASSI { 1612}
   (( segid "   A" and resid 145  and name HN  ))
   (( segid "   A" and resid 145  and name HB1 ))
      6.000     4.500     0.000 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.13207E-02 ppm1      8.227 ppm2      3.008 CV     1
 ASSI { 1613}
   (( segid "   A" and resid 141  and name HN  ))
   (( segid "   A" and resid 141  and name HG11))
      6.000     4.500     0.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.77556E-03 ppm1      8.171 ppm2      0.789 CV     1
 ASSI { 1614}
   (( segid "   A" and resid 140  and name HN  ))
   (( segid "   A" and resid 140  and name HB2 ))
      6.000     4.500     0.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.15061E-02 ppm1      7.691 ppm2      3.672 CV     1
 ASSI { 1615}
   (( segid "   A" and resid 141  and name HN  ))
   (( segid "   A" and resid 140  and name HB1 ))
      6.000     4.500     0.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.23110E-02 ppm1      8.169 ppm2      3.709 CV     1
 ASSI { 1616}
   (( segid "   A" and resid 139  and name HN  ))
   (( segid "   A" and resid 138  and name HB  ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.73894E-03 ppm1      9.485 ppm2      1.609 CV     1
 ASSI { 1617}
   (( segid "   A" and resid 130  and name HN  ))
   (( segid "   A" and resid 130  and name HG1 ))
      6.000     4.500     0.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      7.903 ppm2      2.378 CV     1
 ASSI { 1618}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.44367E-02 ppm1      8.862 ppm2      1.885 CV     1
 ASSI { 1619}
   (( segid "   A" and resid 128  and name HN  ))
   (( segid "   A" and resid 128  and name HB  ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.27307E-02 ppm1      7.405 ppm2      1.979 CV     1
 ASSI { 1620}
   (( segid "   A" and resid 128  and name HN  ))
   (  segid "   A" and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.18941E-02 ppm1      7.405 ppm2      0.471 CV     1
 ASSI { 1621}
   (( segid "   A" and resid 125  and name HN  ))
   (( segid "   A" and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.68362E-03 ppm1      8.877 ppm2      3.687 CV     1
 ASSI { 1622}
   (( segid "   A" and resid 125  and name HN  ))
   (( segid "   A" and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.80913E-03 ppm1      8.881 ppm2      2.186 CV     1
 ASSI { 1623}
   (( segid "   A" and resid 123  and name HN  ))
   (( segid "   A" and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      7.746 ppm2      1.884 CV     1
 ASSI { 1624}
   (( segid "   A" and resid 123  and name HN  ))
   (  segid "   A" and resid 123  and name HD2%)
      6.000     4.500     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.29516E-02 ppm1      7.748 ppm2      0.912 CV     1
 ASSI { 1625}
   (( segid "   A" and resid 129  and name HN  ))
   (( segid "   A" and resid 128  and name HB  ))
      6.000     4.500     0.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.43108E-02 ppm1      8.861 ppm2      1.977 CV     1
 ASSI { 1626}
   (( segid "   A" and resid 128  and name HN  ))
   (( segid "   A" and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.72368E-03 ppm1      7.405 ppm2      3.967 CV     1
 ASSI { 1627}
   (( segid "   A" and resid 115  and name HN  ))
   (( segid "   A" and resid 115  and name HA  ))
      6.000     4.500     0.000 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.80723E-03 ppm1      8.791 ppm2      4.470 CV     1
 ASSI { 1628}
   (( segid "   A" and resid 115  and name HN  ))
   (( segid "   A" and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.17812E-02 ppm1      8.789 ppm2      2.424 CV     1
 ASSI { 1629}
   (( segid "   A" and resid 114  and name HN  ))
   (  segid "   A" and resid 114  and name HG2%)
      6.000     4.500     0.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.34326E-02 ppm1      9.061 ppm2      0.871 CV     1
 ASSI { 1631}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 113  and name HG2 ))
      6.000     4.500     0.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.54972E-02 ppm1      7.386 ppm2      1.719 CV     1
 ASSI { 1632}
   (( segid "   A" and resid 113  and name HN  ))
   (( segid "   A" and resid 113  and name HB1 ))
      6.000     4.500     0.000 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.38568E-02 ppm1      7.386 ppm2      1.785 CV     1
 ASSI { 1633}
   (( segid "   A" and resid 108  and name HN  ))
   (  segid "   A" and resid 108  and name HD2%)
      6.000     4.500     0.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.40323E-02 ppm1      8.117 ppm2      0.820 CV     1
 ASSI { 1634}
   (( segid "   A" and resid 159  and name HN  ))
   (( segid "   A" and resid 139  and name HN  ))
      6.000     4.500     0.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.34868E-03 ppm1      8.616 ppm2      9.491 CV     1
 ASSI { 1635}
   (( segid "   A" and resid 109  and name HN  ))
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.17682E-02 ppm1      7.384 ppm2      3.956 CV     1
 ASSI { 1636}
   (( segid "   A" and resid 111  and name HN  ))
   (( segid "   A" and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.18811E-02 ppm1      8.162 ppm2      3.967 CV     1
 ASSI { 1639}
   (( segid "   A" and resid 205  and name HN  ))
   (( segid "   A" and resid 204  and name HB1 ))
      6.000     4.500     0.000 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.23660E-02 ppm1      8.179 ppm2      2.045 CV     1
 ASSI { 1640}
   (( segid "   A" and resid 256  and name HN  ))
   (( segid "   A" and resid 256  and name HG2 ))
      6.000     4.500     0.000 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.31900E-02 ppm1      8.806 ppm2      2.152 CV     1
 ASSI { 1641}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 258  and name HG1 ))
      6.000     4.500     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.40514E-02 ppm1      8.269 ppm2      2.176 CV     1
 ASSI { 1642}
   (( segid "   A" and resid 258  and name HN  ))
   (( segid "   A" and resid 258  and name HG2 ))
      6.000     4.500     0.000 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.18311E-02 ppm1      8.268 ppm2      2.111 CV     1
 ASSI { 1644}
   (( segid "   A" and resid 254  and name HN  ))
   (( segid "   A" and resid 254  and name HB1 ))
      6.000     4.500     0.000 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.26174E-02 ppm1      7.777 ppm2      2.717 CV     1
 ASSI { 1645}
   (( segid "   A" and resid 255  and name HN  ))
   (( segid "   A" and resid 254  and name HB1 ))
      6.000     4.500     0.000 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.18529E-02 ppm1      8.742 ppm2      2.721 CV     1
 ASSI { 1646}
   (( segid "   A" and resid 265  and name HN  ))
   (( segid "   A" and resid 265  and name HB2 ))
      6.000     4.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.41315E-02 ppm1      8.290 ppm2      2.715 CV     1
 ASSI { 1647}
   (( segid "   A" and resid 266  and name HN  ))
   (( segid "   A" and resid 265  and name HB1 ))
      6.000     4.500     0.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.35410E-02 ppm1      7.891 ppm2      2.709 CV     1
 ASSI { 1648}
   (( segid "   A" and resid 268  and name HN  ))
   (( segid "   A" and resid 268  and name HB2 ))
      6.000     4.500     0.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.74810E-02 ppm1      7.722 ppm2      3.919 CV     1
 ASSI { 1649}
   (( segid "   A" and resid 269  and name HN  ))
   (( segid "   A" and resid 268  and name HB2 ))
      6.000     4.500     0.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.20658E-02 ppm1      7.329 ppm2      3.920 CV     1
 ASSI { 1652}
   (( segid "   A" and resid 170  and name HN  ))
   (  segid "   A" and resid 170  and name HD2%)
      6.000     4.500     0.000 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      7.982 ppm2      0.769 CV     1
 ASSI { 1653}
   (( segid "   A" and resid 209  and name HD22))
   (( segid "   A" and resid 209  and name HB2 ))
      6.000     4.500     0.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.16034E-02 ppm1      6.600 ppm2      3.541 CV     1
 ASSI { 1654}
   (( segid "   A" and resid 209  and name HD21))
   (( segid "   A" and resid 209  and name HB1 ))
      6.000     4.500     0.000 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.74962E-03 ppm1      6.602 ppm2      2.649 CV     1
 ASSI { 1655}
   (( segid "   A" and resid 132  and name HN  ))
   (  segid "   A" and resid 135  and name HE% )
      6.000     4.500     0.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.43757E-03 ppm1      8.070 ppm2      7.327 CV     1


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, May 20, 2024 8:36:04 PM GMT (wattos1)