NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
607677 2n71 25789 cing 1-original 4 XPLOR/CNS distance NOE ambi


 ASSI {    1}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 14   and name HH2 ))
       3.500     1.500     1.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.52409E-03 ppm1      1.089 ppm2      7.151 CV     1
  OR {    1}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {    2}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       4.200     2.200     1.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.14422E-03 ppm1      7.245 ppm2      9.783 CV     1
  OR {    2}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {    9}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       4.300     2.300     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.13344E-03 ppm1      8.449 ppm2      9.788 CV     1
  OR {    9}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {   13}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.100     1.200     1.200 peak    13 spectrum    1 weight  0.10000E+01 volume  0.72108E-03 ppm1      1.090 ppm2      8.226 CV     1
  OR {   13}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 24   and name HN  ))
  ASSI {   19}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HD3 ))
       2.100     0.500     0.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.10445E-01 ppm1      4.518 ppm2      3.048 CV     1
  OR {   19}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 21   and name HB3 ))
  OR {   19}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
  ASSI {   28}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       3.600     1.600     1.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.47577E-03 ppm1      8.382 ppm2      8.235 CV     1
  OR {   28}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
  OR {   28}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {   40}
    (( segid "    " and resid 46   and name HE1 ))
    (( segid "    " and resid 18   and name HN  ))
       4.500     2.600     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.10556E-03 ppm1      8.730 ppm2      8.245 CV     1
  OR {   40}
    (( segid "    " and resid 46   and name HE1 ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {   50}
    (( segid "    " and resid 14   and name HZ3 ))
    (( segid "    " and resid 14   and name HE1 ))
       4.900     3.000     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.65047E-04 ppm1      7.056 ppm2     10.304 CV     1
  OR {   50}
    (  segid "    " and resid 15   and name HD% )
    (( segid "    " and resid 14   and name HE1 ))
  ASSI {   56}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       5.200     3.300     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.62445E-04 ppm1      8.383 ppm2      9.680 CV     1
  OR {   56}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {   57}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       3.300     1.300     1.300 peak    57 spectrum    1 weight  0.10000E+01 volume  0.70993E-03 ppm1      8.361 ppm2      9.531 CV     1
  OR {   57}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {   58}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
       4.200     2.200     1.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.18361E-03 ppm1      8.242 ppm2      9.682 CV     1
  OR {   58}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {   59}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       4.300     2.300     1.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.16095E-03 ppm1      8.228 ppm2      9.532 CV     1
  OR {   59}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {   71}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       5.000     3.100     1.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.63560E-04 ppm1      8.824 ppm2      9.197 CV     1
  OR {   71}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
  ASSI {   84}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 26   and name HN  ))
       4.400     2.400     1.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10594E-03 ppm1      7.191 ppm2      9.282 CV     1
  OR {   84}
    (( segid "    " and resid 14   and name HH2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {   89}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       2.800     1.000     1.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      8.452 ppm2      8.808 CV     1
  OR {   89}
    (( segid "    " and resid 3    and name HN  ))
    (( segid "    " and resid 2    and name HN  ))
  ASSI {   90}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
       3.000     1.100     1.100 peak    90 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      8.504 ppm2      8.839 CV     1
  OR {   90}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 43   and name HN  ))
  ASSI {   92}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 2    and name HN  ))
       5.000     3.100     1.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.58727E-04 ppm1      8.379 ppm2      8.814 CV     1
  OR {   92}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  105}
    (  segid "    " and resid 15   and name HD% )
    (( segid "    " and resid 14   and name HN  ))
       5.000     3.200     1.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.46090E-04 ppm1      7.067 ppm2      8.835 CV     1
  OR {  105}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 21   and name HN  ))
  OR {  105}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  107}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 6    and name HN  ))
       3.500     1.600     1.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.36910E-03 ppm1      6.894 ppm2      8.845 CV     1
  OR {  107}
    (  segid "    " and resid 31   and name HE% )
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  112}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 27   and name HD21))
       6.000     4.900     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.14682E-04 ppm1      7.342 ppm2      8.128 CV     1
  OR {  112}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
  ASSI {  115}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 31   and name HN  ))
       4.300     2.300     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.15797E-03 ppm1      7.258 ppm2      7.848 CV     1
  OR {  115}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  116}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 35   and name HE21))
       4.200     2.200     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.18956E-03 ppm1      7.256 ppm2      7.724 CV     1
  OR {  116}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 35   and name HN  ))
  OR {  116}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  122}
    (( segid "    " and resid 7    and name HE  ))
    (( segid "    " and resid 9    and name HN  ))
       4.400     2.500     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.74339E-04 ppm1      7.173 ppm2      8.308 CV     1
  OR {  122}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
  OR {  122}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 9    and name HN  ))
  OR {  122}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 4    and name HN  ))
  OR {  122}
    (( segid "    " and resid 14   and name HH2 ))
    (( segid "    " and resid 11   and name HN  ))
  ASSI {  128}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 30   and name HN  ))
       4.800     2.900     1.200 peak   128 spectrum    1 weight  0.10000E+01 volume  0.69135E-04 ppm1      7.039 ppm2      8.659 CV     1
  OR {  128}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  129}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 24   and name HN  ))
       4.400     2.400     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.82516E-04 ppm1      7.022 ppm2      8.190 CV     1
  OR {  129}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 24   and name HN  ))
  OR {  129}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 48   and name HN  ))
  OR {  129}
    (( segid "    " and resid 35   and name HE22))
    (( segid "    " and resid 41   and name HN  ))
  OR {  129}
    (( segid "    " and resid 14   and name HZ3 ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {  134}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 34   and name HE21))
       1.800     0.400     0.400 peak   134 spectrum    1 weight  0.10000E+01 volume  0.16131E-01 ppm1      6.904 ppm2      7.953 CV     1
  OR {  134}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  144}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 11   and name HN  ))
       4.000     2.000     2.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.18065E-03 ppm1      6.292 ppm2      8.278 CV     1
  OR {  144}
    (( segid "    " and resid 27   and name HD22))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  149}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 5    and name HN  ))
       3.200     1.300     1.300 peak   149 spectrum    1 weight  0.10000E+01 volume  0.91439E-03 ppm1      8.359 ppm2      8.496 CV     1
  OR {  149}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 3    and name HN  ))
  OR {  149}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  153}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 30   and name HN  ))
       5.000     3.100     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.65418E-04 ppm1      8.114 ppm2      8.667 CV     1
  OR {  153}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  162}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       3.900     1.900     1.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.17692E-03 ppm1      7.949 ppm2      8.308 CV     1
  OR {  162}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 4    and name HN  ))
  OR {  162}
    (( segid "    " and resid 37   and name HE21))
    (( segid "    " and resid 4    and name HN  ))
  ASSI {  171}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 44   and name HN  ))
       4.700     2.700     1.300 peak   171 spectrum    1 weight  0.10000E+01 volume  0.65418E-04 ppm1      7.682 ppm2      8.453 CV     1
  OR {  171}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 3    and name HN  ))
  OR {  171}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  174}
    (( segid "    " and resid 14   and name HZ2 ))
    (( segid "    " and resid 49   and name HN  ))
       4.700     2.800     1.300 peak   174 spectrum    1 weight  0.10000E+01 volume  0.83260E-04 ppm1      7.450 ppm2      8.240 CV     1
  OR {  174}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  177}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 37   and name HE21))
       3.900     1.900     1.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.22599E-03 ppm1      7.718 ppm2      7.982 CV     1
  OR {  177}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
  OR {  177}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  187}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 30   and name HD21))
       4.700     2.700     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.51294E-04 ppm1      6.932 ppm2      7.455 CV     1
  OR {  187}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 30   and name HD21))
  ASSI {  191}
    (  segid "    " and resid 25   and name HE% )
    (  segid "    " and resid 25   and name HD% )
       2.100     0.500     0.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.60586E-02 ppm1      6.773 ppm2      7.091 CV     1
  OR {  191}
    (  segid "    " and resid 15   and name HE% )
    (  segid "    " and resid 15   and name HD% )
  ASSI {  192}
    (  segid "    " and resid 31   and name HD% )
    (  segid "    " and resid 25   and name HD% )
       2.700     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.14867E-02 ppm1      6.736 ppm2      7.044 CV     1
  OR {  192}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 35   and name HE22))
  ASSI {  204}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.900     1.900     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.20704E-03 ppm1      5.454 ppm2      7.087 CV     1
  OR {  204}
    (( segid "    " and resid 27   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  208}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
       4.100     2.100     1.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.19142E-03 ppm1      5.213 ppm2      8.378 CV     1
  OR {  208}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  215}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HZ3 ))
       4.300     2.300     1.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.16912E-03 ppm1      5.122 ppm2      7.064 CV     1
  OR {  215}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  218}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 34   and name HE22))
       5.100     3.200     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.45347E-04 ppm1      5.028 ppm2      6.885 CV     1
  OR {  218}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 37   and name HE22))
  OR {  218}
    (( segid "    " and resid 39   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  225}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       3.900     1.900     1.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.20480E-03 ppm1      4.710 ppm2      8.189 CV     1
  OR {  225}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  228}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 25   and name HD% )
       2.900     1.000     1.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.11225E-02 ppm1      4.708 ppm2      7.033 CV     1
  OR {  228}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  230}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.400     1.400     1.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.50922E-03 ppm1      4.685 ppm2      7.728 CV     1
  OR {  230}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
  OR {  230}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HE21))
  ASSI {  237}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       3.000     1.200     1.200 peak   237 spectrum    1 weight  0.10000E+01 volume  0.95522E-03 ppm1      4.607 ppm2      7.242 CV     1
  OR {  237}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 30   and name HD22))
  ASSI {  239}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 13   and name HN  ))
       3.700     1.700     1.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.37541E-03 ppm1      4.584 ppm2      8.064 CV     1
  OR {  239}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 10   and name HN  ))
  ASSI {  243}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 3    and name HN  ))
       3.200     1.300     1.300 peak   243 spectrum    1 weight  0.10000E+01 volume  0.65047E-03 ppm1      4.551 ppm2      8.487 CV     1
  OR {  243}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  255}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.600     0.900     0.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.19922E-02 ppm1      4.509 ppm2      8.239 CV     1
  OR {  255}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {  258}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 14   and name HE3 ))
       4.700     2.800     1.300 peak   258 spectrum    1 weight  0.10000E+01 volume  0.79171E-04 ppm1      4.512 ppm2      7.766 CV     1
  OR {  258}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  260}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 46   and name HE1 ))
       4.800     2.800     1.200 peak   260 spectrum    1 weight  0.10000E+01 volume  0.87349E-04 ppm1      4.498 ppm2      8.726 CV     1
  OR {  260}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
  ASSI {  265}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 30   and name HD21))
       4.600     2.700     1.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.96643E-04 ppm1      4.460 ppm2      7.465 CV     1
  OR {  265}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 30   and name HD21))
  ASSI {  276}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 46   and name HD2 ))
       5.600     3.900     0.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.20295E-04 ppm1      4.386 ppm2      7.217 CV     1
  OR {  276}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
  OR {  276}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HD22))
  ASSI {  278}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       4.200     2.200     1.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.16949E-03 ppm1      4.373 ppm2      7.846 CV     1
  OR {  278}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  279}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       4.000     2.000     2.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.21150E-03 ppm1      4.369 ppm2      7.972 CV     1
  OR {  279}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  283}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       5.600     3.900     0.400 peak   283 spectrum    1 weight  0.10000E+01 volume  0.33006E-04 ppm1      4.354 ppm2      7.195 CV     1
  OR {  283}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  295}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       3.800     3.800     2.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.32263E-03 ppm1      4.306 ppm2      8.291 CV     1
  OR {  295}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  309}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.700     1.700     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.30739E-03 ppm1      4.214 ppm2      8.667 CV     1
  OR {  309}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  315}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HE3 ))
       3.300     3.300     2.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.68763E-03 ppm1      4.210 ppm2      7.773 CV     1
  OR {  315}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  317}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.200     3.200     2.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.76569E-03 ppm1      4.208 ppm2      7.062 CV     1
  OR {  317}
    (( segid "    " and resid 13   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  OR {  317}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
  OR {  317}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  320}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       2.900     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.13419E-02 ppm1      4.195 ppm2      7.254 CV     1
  OR {  320}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  324}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       5.900     4.400     0.100 peak   324 spectrum    1 weight  0.10000E+01 volume  0.41630E-04 ppm1      4.134 ppm2      7.271 CV     1
  OR {  324}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  330}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 14   and name HH2 ))
       5.000     3.100     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.59843E-04 ppm1      4.098 ppm2      7.148 CV     1
  OR {  330}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 14   and name HH2 ))
  ASSI {  331}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       5.600     3.900     0.400 peak   331 spectrum    1 weight  0.10000E+01 volume  0.26614E-04 ppm1      4.097 ppm2      7.067 CV     1
  OR {  331}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 14   and name HZ3 ))
  OR {  331}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 15   and name HD% )
  OR {  331}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 25   and name HD% )
  ASSI {  336}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       6.000     6.000     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.32524E-05 ppm1      4.039 ppm2      7.177 CV     1
  OR {  336}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  339}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.100     1.100 peak   339 spectrum    1 weight  0.10000E+01 volume  0.11745E-02 ppm1      3.994 ppm2      7.718 CV     1
  OR {  339}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI {  341}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 12   and name HE  ))
       4.100     2.100     1.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.15314E-03 ppm1      3.995 ppm2      7.263 CV     1
  OR {  341}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  342}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       4.200     2.200     1.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.18436E-03 ppm1      3.994 ppm2      7.180 CV     1
  OR {  342}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 14   and name HH2 ))
  ASSI {  344}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 5    and name HN  ))
       4.800     2.900     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.73967E-04 ppm1      3.988 ppm2      8.536 CV     1
  OR {  344}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  345}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 43   and name HN  ))
       2.900     1.000     1.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.12340E-02 ppm1      3.983 ppm2      8.847 CV     1
  OR {  345}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  362}
    (( segid "    " and resid 23   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.600     3.600     2.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.36389E-03 ppm1      3.836 ppm2      7.033 CV     1
  OR {  362}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  369}
    (( segid "    " and resid 43   and name HB  ))
    (( segid "    " and resid 31   and name HZ  ))
       3.800     1.800     1.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.40143E-03 ppm1      4.209 ppm2      6.672 CV     1
  OR {  369}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 31   and name HZ  ))
  ASSI {  370}
    (( segid "    " and resid 43   and name HB  ))
    (  segid "    " and resid 31   and name HE% )
       4.000     2.000     2.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.21037E-03 ppm1      4.205 ppm2      6.907 CV     1
  OR {  370}
    (( segid "    " and resid 42   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
  OR {  370}
    (( segid "    " and resid 28   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  371}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
       3.500     3.500     2.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.56497E-03 ppm1      4.035 ppm2      6.906 CV     1
  OR {  371}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
  OR {  371}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HE22))
  OR {  371}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 37   and name HE22))
  ASSI {  372}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 31   and name HD% )
       3.700     3.700     2.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.37170E-03 ppm1      4.037 ppm2      6.737 CV     1
  OR {  372}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
  ASSI {  374}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 34   and name HE22))
       4.000     2.000     2.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.22041E-03 ppm1      3.993 ppm2      6.904 CV     1
  OR {  374}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
  OR {  374}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  397}
    (( segid "    " and resid 3    and name HB3 ))
    (( segid "    " and resid 3    and name HN  ))
       3.300     1.300     1.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.65418E-03 ppm1      3.477 ppm2      8.505 CV     1
  OR {  397}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HN  ))
  ASSI {  402}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HZ2 ))
       4.500     2.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.11969E-03 ppm1      3.397 ppm2      7.455 CV     1
  OR {  402}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 30   and name HD21))
  ASSI {  407}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 49   and name HN  ))
       2.300     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.56126E-02 ppm1      3.390 ppm2      8.246 CV     1
  OR {  407}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  410}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 12   and name HE  ))
       2.900     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      3.392 ppm2      7.240 CV     1
  OR {  410}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI {  413}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 30   and name HD22))
       6.000     6.000     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.93665E-05 ppm1      3.321 ppm2      7.246 CV     1
  OR {  413}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 12   and name HE  ))
  ASSI {  423}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       4.400     2.500     1.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.71366E-04 ppm1      3.207 ppm2      9.273 CV     1
  OR {  423}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  425}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 35   and name HE22))
       3.300     1.400     1.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.51666E-03 ppm1      3.210 ppm2      7.044 CV     1
  OR {  425}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
  ASSI {  429}
    (( segid "    " and resid 7    and name HD3 ))
    (( segid "    " and resid 7    and name HE  ))
       2.800     1.000     1.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      3.202 ppm2      7.233 CV     1
  OR {  429}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HD1 ))
  OR {  429}
    (( segid "    " and resid 46   and name HB2 ))
    (( segid "    " and resid 46   and name HD2 ))
  ASSI {  430}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       3.400     1.400     1.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.81773E-03 ppm1      3.172 ppm2      8.961 CV     1
  OR {  430}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI {  435}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 34   and name HN  ))
       4.200     2.200     1.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.22450E-03 ppm1      3.083 ppm2      7.178 CV     1
  OR {  435}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  439}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 12   and name HE  ))
       3.200     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.64675E-03 ppm1      3.048 ppm2      7.244 CV     1
  OR {  439}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI {  441}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       2.500     0.800     0.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.29401E-02 ppm1      3.045 ppm2      8.845 CV     1
  OR {  441}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  446}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       3.800     1.800     1.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.28881E-03 ppm1      3.047 ppm2      7.174 CV     1
  OR {  446}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 14   and name HH2 ))
  OR {  446}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 7    and name HE  ))
  OR {  446}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  448}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
       3.100     1.200     1.200 peak   448 spectrum    1 weight  0.10000E+01 volume  0.11857E-02 ppm1      3.043 ppm2      6.890 CV     1
  OR {  448}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 34   and name HE22))
  OR {  448}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  449}
    (( segid "    " and resid 4    and name HB3 ))
    (( segid "    " and resid 5    and name HN  ))
       2.700     2.700     3.300 peak   449 spectrum    1 weight  0.10000E+01 volume  0.28992E-02 ppm1      3.012 ppm2      8.553 CV     1
  OR {  449}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 5    and name HN  ))
  ASSI {  454}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       3.100     3.100     2.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.12898E-02 ppm1      2.993 ppm2      7.341 CV     1
  OR {  454}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
  ASSI {  459}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       2.800     1.000     1.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.19291E-02 ppm1      2.888 ppm2      8.189 CV     1
  OR {  459}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 48   and name HN  ))
  ASSI {  462}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 4    and name HN  ))
       2.900     1.000     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.14125E-02 ppm1      2.874 ppm2      8.361 CV     1
  OR {  462}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  466}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 34   and name HE22))
       3.700     1.700     1.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.32857E-03 ppm1      2.865 ppm2      6.888 CV     1
  OR {  466}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  467}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 34   and name HE21))
       3.000     1.100     1.100 peak   467 spectrum    1 weight  0.10000E+01 volume  0.85115E-03 ppm1      2.863 ppm2      7.983 CV     1
  OR {  467}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  471}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       3.900     1.900     1.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.23565E-03 ppm1      2.821 ppm2      8.360 CV     1
  OR {  471}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 9    and name HN  ))
  ASSI {  472}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       2.700     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.28397E-02 ppm1      2.813 ppm2      9.305 CV     1
  OR {  472}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  475}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       4.700     2.800     1.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.98131E-04 ppm1      2.805 ppm2      8.281 CV     1
  OR {  475}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
  OR {  475}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  479}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HD22))
       2.900     1.000     1.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.15091E-02 ppm1      2.806 ppm2      7.249 CV     1
  OR {  479}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  505}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.700     1.800     1.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.38285E-03 ppm1      3.587 ppm2      7.826 CV     1
  OR {  505}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  515}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 27   and name HD22))
       4.000     2.100     2.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.19774E-03 ppm1      2.803 ppm2      6.291 CV     1
  OR {  515}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 27   and name HD22))
  ASSI {  520}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 38   and name HN  ))
       2.000     2.000     4.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.17470E-01 ppm1      2.456 ppm2      7.712 CV     1
  OR {  520}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 35   and name HN  ))
  OR {  520}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI {  522}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 37   and name HE22))
       3.300     3.300     2.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.85492E-03 ppm1      2.455 ppm2      6.905 CV     1
  OR {  522}
    (( segid "    " and resid 39   and name HB2 ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  545}
    (( segid "    " and resid 23   and name HB  ))
    (  segid "    " and resid 25   and name HD% )
       3.000     3.000     3.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.76197E-03 ppm1      2.224 ppm2      7.082 CV     1
  OR {  545}
    (( segid "    " and resid 49   and name HB3 ))
    (( segid "    " and resid 14   and name HZ3 ))
  ASSI {  546}
    (( segid "    " and resid 23   and name HB  ))
    (  segid "    " and resid 31   and name HD% )
       3.800     1.800     1.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.21521E-03 ppm1      2.222 ppm2      6.770 CV     1
  OR {  546}
    (( segid "    " and resid 23   and name HB  ))
    (  segid "    " and resid 25   and name HE% )
  ASSI {  549}
    (( segid "    " and resid 23   and name HB  ))
    (( segid "    " and resid 35   and name HE22))
       2.300     2.300     3.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.39771E-02 ppm1      2.216 ppm2      7.053 CV     1
  OR {  549}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  552}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 30   and name HD21))
       4.400     2.400     1.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.11039E-03 ppm1      2.192 ppm2      7.450 CV     1
  OR {  552}
    (( segid "    " and resid 49   and name HB3 ))
    (( segid "    " and resid 14   and name HZ2 ))
  ASSI {  555}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 43   and name HN  ))
       3.000     3.000     3.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.15425E-02 ppm1      2.174 ppm2      8.844 CV     1
  OR {  555}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 21   and name HN  ))
  OR {  555}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  556}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HE21))
       4.000     2.000     2.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.26911E-03 ppm1      2.178 ppm2      7.982 CV     1
  OR {  556}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  562}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HE21))
       2.500     0.800     0.800 peak   562 spectrum    1 weight  0.10000E+01 volume  0.26947E-02 ppm1      2.150 ppm2      7.723 CV     1
  OR {  562}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  563}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 30   and name HD22))
       4.000     2.000     2.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.25759E-03 ppm1      2.147 ppm2      7.263 CV     1
  OR {  563}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  564}
    (( segid "    " and resid 35   and name HG3 ))
    (  segid "    " and resid 31   and name HE% )
       4.600     2.700     1.400 peak   564 spectrum    1 weight  0.10000E+01 volume  0.10705E-03 ppm1      2.152 ppm2      6.901 CV     1
  OR {  564}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  571}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       3.100     1.200     1.200 peak   571 spectrum    1 weight  0.10000E+01 volume  0.89582E-03 ppm1      2.060 ppm2      7.649 CV     1
  OR {  571}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
  ASSI {  574}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HN  ))
       4.100     2.100     1.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.30256E-03 ppm1      2.045 ppm2      7.178 CV     1
  OR {  574}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  575}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HE21))
       2.800     1.000     1.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.15240E-02 ppm1      2.035 ppm2      7.985 CV     1
  OR {  575}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  576}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       4.000     2.000     2.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.25424E-03 ppm1      2.026 ppm2      7.829 CV     1
  OR {  576}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
  OR {  576}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
  OR {  576}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  577}
    (( segid "    " and resid 35   and name HG2 ))
    (  segid "    " and resid 31   and name HE% )
       2.300     2.300     3.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.56870E-02 ppm1      2.026 ppm2      6.888 CV     1
  OR {  577}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  578}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 32   and name HN  ))
       4.300     2.300     1.700 peak   578 spectrum    1 weight  0.10000E+01 volume  0.96643E-04 ppm1      2.012 ppm2      8.662 CV     1
  OR {  578}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 32   and name HN  ))
  OR {  578}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  579}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
       2.900     1.000     1.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.16540E-02 ppm1      2.013 ppm2      8.165 CV     1
  OR {  579}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  582}
    (( segid "    " and resid 35   and name HG2 ))
    (  segid "    " and resid 31   and name HD% )
       3.300     1.300     1.300 peak   582 spectrum    1 weight  0.10000E+01 volume  0.47577E-03 ppm1      2.005 ppm2      6.771 CV     1
  OR {  582}
    (( segid "    " and resid 13   and name HB3 ))
    (  segid "    " and resid 15   and name HE% )
  ASSI {  584}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       2.600     2.600     3.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.32524E-02 ppm1      1.999 ppm2      8.839 CV     1
  OR {  584}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  585}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 14   and name HZ2 ))
       5.300     3.500     0.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.46462E-04 ppm1      1.999 ppm2      7.453 CV     1
  OR {  585}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 41   and name HD22))
  ASSI {  589}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.300     1.400     1.400 peak   589 spectrum    1 weight  0.10000E+01 volume  0.10370E-02 ppm1      1.983 ppm2      8.236 CV     1
  OR {  589}
    (( segid "    " and resid 49   and name HB2 ))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {  591}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 34   and name HE21))
       3.700     1.700     1.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.37170E-03 ppm1      1.960 ppm2      7.959 CV     1
  OR {  591}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  597}
    (( segid "    " and resid 42   and name HB  ))
    (  segid "    " and resid 31   and name HE% )
       3.300     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.62073E-03 ppm1      1.953 ppm2      6.903 CV     1
  OR {  597}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  601}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
       4.800     2.900     1.200 peak   601 spectrum    1 weight  0.10000E+01 volume  0.62073E-04 ppm1      1.883 ppm2      7.265 CV     1
  OR {  601}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  604}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
       4.700     2.800     1.300 peak   604 spectrum    1 weight  0.10000E+01 volume  0.96266E-04 ppm1      1.874 ppm2      7.834 CV     1
  OR {  604}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  608}
    (  segid "    " and resid 47   and name HE% )
    (( segid "    " and resid 48   and name HN  ))
       3.600     1.600     1.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.41630E-03 ppm1      1.845 ppm2      8.169 CV     1
  OR {  608}
    (( segid "    " and resid 40   and name HG3 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  621}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 8    and name HN  ))
       3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.53524E-03 ppm1      1.741 ppm2      8.515 CV     1
  OR {  621}
    (( segid "    " and resid 8    and name HD3 ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  622}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 34   and name HE21))
       4.200     2.200     1.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.15611E-03 ppm1      1.736 ppm2      7.945 CV     1
  OR {  622}
    (( segid "    " and resid 8    and name HD3 ))
    (( segid "    " and resid 34   and name HE21))
  ASSI {  623}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 34   and name HE22))
       3.900     1.900     1.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.23454E-03 ppm1      1.737 ppm2      6.907 CV     1
  OR {  623}
    (( segid "    " and resid 8    and name HD3 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  624}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 25   and name HD% )
       3.600     3.600     2.400 peak   624 spectrum    1 weight  0.10000E+01 volume  0.26539E-03 ppm1      1.672 ppm2      7.085 CV     1
  OR {  624}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 25   and name HD% )
  OR {  624}
    (( segid "    " and resid 12   and name HG3 ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  626}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 31   and name HD% )
       3.700     1.800     1.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.20146E-03 ppm1      1.645 ppm2      6.743 CV     1
  OR {  626}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 31   and name HD% )
  OR {  626}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 25   and name HE% )
  ASSI {  630}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       4.500     2.500     1.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.79171E-04 ppm1      1.643 ppm2      7.831 CV     1
  OR {  630}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
  OR {  630}
    (( segid "    " and resid 42   and name HG13))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  631}
    (( segid "    " and resid 42   and name HG13))
    (( segid "    " and resid 42   and name HN  ))
       3.000     1.200     1.200 peak   631 spectrum    1 weight  0.10000E+01 volume  0.13827E-02 ppm1      1.644 ppm2      7.261 CV     1
  OR {  631}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 30   and name HD22))
  ASSI {  632}
    (( segid "    " and resid 42   and name HG13))
    (  segid "    " and resid 31   and name HE% )
       2.800     1.000     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.11560E-02 ppm1      1.639 ppm2      6.903 CV     1
  OR {  632}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HE22))
  ASSI {  634}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.000     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.11745E-02 ppm1      1.634 ppm2      7.719 CV     1
  OR {  634}
    (( segid "    " and resid 42   and name HG13))
    (( segid "    " and resid 35   and name HE21))
  ASSI {  635}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       2.900     1.100     1.100 peak   635 spectrum    1 weight  0.10000E+01 volume  0.12155E-02 ppm1      1.633 ppm2      7.176 CV     1
  OR {  635}
    (( segid "    " and resid 7    and name HG3 ))
    (( segid "    " and resid 7    and name HE  ))
  ASSI {  638}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 34   and name HE21))
       3.000     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.10854E-02 ppm1      1.585 ppm2      7.973 CV     1
  OR {  638}
    (  segid "    " and resid 1    and name HB% )
    (( segid "    " and resid 37   and name HE21))
  OR {  638}
    (( segid "    " and resid 7    and name HG2 ))
    (( segid "    " and resid 34   and name HE21))
  OR {  638}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  639}
    (( segid "    " and resid 7    and name HG2 ))
    (( segid "    " and resid 7    and name HE  ))
       4.400     2.400     1.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.10965E-03 ppm1      1.565 ppm2      7.228 CV     1
  OR {  639}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 30   and name HD22))
  ASSI {  643}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
       4.100     2.100     1.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.25052E-03 ppm1      1.423 ppm2      9.196 CV     1
  OR {  643}
    (( segid "    " and resid 44   and name HB  ))
    (( segid "    " and resid 45   and name HN  ))
  ASSI {  645}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 48   and name HN  ))
       5.600     4.000     0.400 peak   645 spectrum    1 weight  0.10000E+01 volume  0.36091E-04 ppm1      1.418 ppm2      8.165 CV     1
  OR {  645}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
  OR {  645}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
  ASSI {  651}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 46   and name HN  ))
       3.300     1.400     1.400 peak   651 spectrum    1 weight  0.10000E+01 volume  0.12564E-02 ppm1      1.388 ppm2      7.242 CV     1
  OR {  651}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI {  659}
    (  segid "    " and resid 11   and name HG2%)
    (( segid "    " and resid 14   and name HZ3 ))
       4.700     2.800     1.300 peak   659 spectrum    1 weight  0.10000E+01 volume  0.10259E-03 ppm1      1.329 ppm2      7.059 CV     1
  OR {  659}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  661}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 43   and name HN  ))
       2.900     1.100     1.100 peak   661 spectrum    1 weight  0.10000E+01 volume  0.18325E-02 ppm1      1.320 ppm2      8.844 CV     1
  OR {  661}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  662}
    (( segid "    " and resid 8    and name HG3 ))
    (( segid "    " and resid 7    and name HN  ))
       3.200     3.200     2.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.51294E-03 ppm1      1.319 ppm2      8.772 CV     1
  OR {  662}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 7    and name HN  ))
  OR {  662}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 7    and name HN  ))
  ASSI {  663}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 32   and name HN  ))
       3.700     1.800     1.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.32189E-03 ppm1      1.320 ppm2      8.665 CV     1
  OR {  663}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  664}
    (( segid "    " and resid 8    and name HG3 ))
    (( segid "    " and resid 8    and name HN  ))
       3.300     1.400     1.400 peak   664 spectrum    1 weight  0.10000E+01 volume  0.77312E-03 ppm1      1.323 ppm2      8.514 CV     1
  OR {  664}
    (  segid "    " and resid 9    and name HB% )
    (( segid "    " and resid 8    and name HN  ))
  ASSI {  665}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 31   and name HN  ))
       4.900     3.000     1.100 peak   665 spectrum    1 weight  0.10000E+01 volume  0.52409E-04 ppm1      1.322 ppm2      7.846 CV     1
  OR {  665}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  666}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 35   and name HE21))
       4.000     2.000     2.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.27914E-03 ppm1      1.319 ppm2      7.719 CV     1
  OR {  666}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  669}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 37   and name HE22))
       2.900     1.100     1.100 peak   669 spectrum    1 weight  0.10000E+01 volume  0.14719E-02 ppm1      1.323 ppm2      6.905 CV     1
  OR {  669}
    (( segid "    " and resid 42   and name HG12))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  670}
    (( segid "    " and resid 42   and name HG12))
    (  segid "    " and resid 31   and name HD% )
       6.000     4.600     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.11671E-04 ppm1      1.321 ppm2      6.736 CV     1
  OR {  670}
    (  segid "    " and resid 33   and name HB% )
    (  segid "    " and resid 31   and name HD% )
  ASSI {  678}
    (  segid "    " and resid 45   and name HB% )
    (  segid "    " and resid 25   and name HD% )
       3.800     1.800     1.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.15909E-03 ppm1      1.174 ppm2      7.063 CV     1
  OR {  678}
    (  segid "    " and resid 45   and name HB% )
    (( segid "    " and resid 35   and name HE22))
  OR {  678}
    (  segid "    " and resid 43   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  679}
    (  segid "    " and resid 43   and name HG2%)
    (  segid "    " and resid 31   and name HE% )
       4.500     2.500     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.85115E-04 ppm1      1.171 ppm2      6.904 CV     1
  OR {  679}
    (  segid "    " and resid 45   and name HB% )
    (  segid "    " and resid 31   and name HE% )
  ASSI {  692}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 14   and name HZ2 ))
       3.600     1.600     1.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.44232E-03 ppm1      1.093 ppm2      7.451 CV     1
  OR {  692}
    (( segid "    " and resid 16   and name HD2 ))
    (( segid "    " and resid 14   and name HZ2 ))
  ASSI {  695}
    (( segid "    " and resid 16   and name HD2 ))
    (  segid "    " and resid 15   and name HD% )
       3.500     1.500     1.500 peak   695 spectrum    1 weight  0.10000E+01 volume  0.50551E-03 ppm1      1.090 ppm2      7.060 CV     1
  OR {  695}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HE22))
  OR {  695}
    (  segid "    " and resid 24   and name HG2%)
    (( segid "    " and resid 14   and name HZ3 ))
  ASSI {  717}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 21   and name HN  ))
       2.600     0.800     0.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.33267E-02 ppm1      0.911 ppm2      8.835 CV     1
  OR {  717}
    (  segid "    " and resid 42   and name HG2%)
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  728}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 14   and name HZ3 ))
       4.600     2.600     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.11262E-03 ppm1      0.753 ppm2      7.060 CV     1
  OR {  728}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 25   and name HD% )
  OR {  728}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 15   and name HD% )
  ASSI {  732}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 21   and name HN  ))
       4.600     2.600     1.400 peak   732 spectrum    1 weight  0.10000E+01 volume  0.82516E-04 ppm1      0.711 ppm2      8.816 CV     1
  OR {  732}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 6    and name HN  ))
  ASSI {  736}
    (  segid "    " and resid 23   and name HG1%)
    (( segid "    " and resid 35   and name HE22))
       4.500     2.500     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.80286E-04 ppm1      0.714 ppm2      7.045 CV     1
  OR {  736}
    (  segid "    " and resid 23   and name HG1%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  741}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 19   and name HN  ))
       3.200     1.300     1.300 peak   741 spectrum    1 weight  0.10000E+01 volume  0.80658E-03 ppm1      0.627 ppm2      9.681 CV     1
  OR {  741}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 19   and name HN  ))
  ASSI {  742}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 45   and name HN  ))
       3.200     1.300     1.300 peak   742 spectrum    1 weight  0.10000E+01 volume  0.84747E-03 ppm1      0.624 ppm2      9.198 CV     1
  OR {  742}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 45   and name HN  ))
  ASSI {  743}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 21   and name HN  ))
       3.500     1.500     1.500 peak   743 spectrum    1 weight  0.10000E+01 volume  0.44232E-03 ppm1      0.623 ppm2      8.826 CV     1
  OR {  743}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  745}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 34   and name HE21))
       3.800     3.800     2.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.16986E-03 ppm1      0.622 ppm2      7.982 CV     1
  OR {  745}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 33   and name HN  ))
  OR {  745}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 37   and name HE21))
  OR {  745}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  746}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 39   and name HN  ))
       2.300     2.300     3.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.39400E-02 ppm1      0.622 ppm2      7.844 CV     1
  OR {  746}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  748}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 42   and name HN  ))
       3.800     1.800     1.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.36091E-03 ppm1      0.624 ppm2      7.257 CV     1
  OR {  748}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  749}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 34   and name HN  ))
       4.700     2.800     1.300 peak   749 spectrum    1 weight  0.10000E+01 volume  0.67277E-04 ppm1      0.625 ppm2      7.178 CV     1
  OR {  749}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 46   and name HD2 ))
  OR {  749}
    (  segid "    " and resid 17   and name HG1%)
    (( segid "    " and resid 46   and name HD2 ))
  OR {  749}
    (  segid "    " and resid 17   and name HG1%)
    (( segid "    " and resid 14   and name HH2 ))
  OR {  749}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 14   and name HH2 ))
  ASSI {  750}
    (  segid "    " and resid 42   and name HD1%)
    (( segid "    " and resid 35   and name HE22))
       2.200     0.600     0.600 peak   750 spectrum    1 weight  0.10000E+01 volume  0.74339E-02 ppm1      0.620 ppm2      7.048 CV     1
  OR {  750}
    (  segid "    " and resid 17   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  752}
    (  segid "    " and resid 42   and name HD1%)
    (  segid "    " and resid 31   and name HD% )
       2.500     2.500     3.500 peak   752 spectrum    1 weight  0.10000E+01 volume  0.20777E-02 ppm1      0.622 ppm2      6.738 CV     1
  OR {  752}
    (  segid "    " and resid 17   and name HG2%)
    (  segid "    " and resid 31   and name HD% )
  ASSI {  757}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 32   and name HN  ))
       4.400     2.400     1.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.13344E-03 ppm1      0.587 ppm2      8.667 CV     1
  OR {  757}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  788}
    (  segid "    " and resid 23   and name HG2%)
    (( segid "    " and resid 35   and name HE22))
       3.300     1.300     1.300 peak   788 spectrum    1 weight  0.10000E+01 volume  0.46090E-03 ppm1      0.164 ppm2      7.043 CV     1
  OR {  788}
    (  segid "    " and resid 23   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  793}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
       3.000     3.000     3.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.13419E-02 ppm1      5.456 ppm2      3.058 CV     1
  OR {  793}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 29   and name HB2 ))
  ASSI {  800}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
       5.300     3.600     0.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.43488E-04 ppm1      5.211 ppm2      2.216 CV     1
  OR {  800}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  ASSI {  816}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 42   and name HD1%)
       4.100     2.100     1.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11782E-03 ppm1      4.804 ppm2      0.602 CV     1
  OR {  816}
    (( segid "    " and resid 43   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI {  825}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
       4.200     2.200     1.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.17098E-03 ppm1      4.779 ppm2      2.207 CV     1
  OR {  825}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
  ASSI {  830}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 38   and name HB3 ))
       3.900     1.900     1.900 peak   830 spectrum    1 weight  0.10000E+01 volume  0.21967E-03 ppm1      4.772 ppm2      3.067 CV     1
  OR {  830}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
  OR {  830}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 21   and name HB3 ))
  ASSI {  836}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 38   and name HB3 ))
       3.400     3.400     2.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.52037E-03 ppm1      4.766 ppm2      3.054 CV     1
  OR {  836}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
  ASSI {  838}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 21   and name HB3 ))
       4.600     2.600     1.400 peak   838 spectrum    1 weight  0.10000E+01 volume  0.81030E-04 ppm1      4.759 ppm2      3.013 CV     1
  OR {  838}
    (( segid "    " and resid 2    and name HA  ))
    (( segid "    " and resid 4    and name HB3 ))
  OR {  838}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 31   and name HB3 ))
  ASSI {  841}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 31   and name HA  ))
       2.800     2.800     3.200 peak   841 spectrum    1 weight  0.10000E+01 volume  0.17061E-02 ppm1      4.722 ppm2      3.217 CV     1
  OR {  841}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  843}
    (( segid "    " and resid 19   and name HA2 ))
    (( segid "    " and resid 23   and name HB  ))
       4.200     2.200     1.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.13492E-03 ppm1      4.715 ppm2      2.232 CV     1
  OR {  843}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  ASSI {  848}
    (( segid "    " and resid 19   and name HA2 ))
    (  segid "    " and resid 42   and name HG2%)
       4.600     2.700     1.400 peak   848 spectrum    1 weight  0.10000E+01 volume  0.95522E-04 ppm1      4.692 ppm2      0.911 CV     1
  OR {  848}
    (( segid "    " and resid 41   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
  OR {  848}
    (( segid "    " and resid 40   and name HA  ))
    (  segid "    " and resid 42   and name HG2%)
  ASSI {  852}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HD2 ))
       4.200     2.200     1.800 peak   852 spectrum    1 weight  0.10000E+01 volume  0.16057E-03 ppm1      4.682 ppm2      3.588 CV     1
  OR {  852}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 40   and name HD2 ))
  ASSI {  856}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HG3 ))
       2.900     1.100     1.100 peak   856 spectrum    1 weight  0.10000E+01 volume  0.10110E-02 ppm1      4.683 ppm2      1.878 CV     1
  OR {  856}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 35   and name HB3 ))
  ASSI {  865}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
       2.500     0.800     0.800 peak   865 spectrum    1 weight  0.10000E+01 volume  0.31185E-02 ppm1      4.621 ppm2      2.024 CV     1
  OR {  865}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 47   and name HB2 ))
  ASSI {  869}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       4.300     2.300     1.700 peak   869 spectrum    1 weight  0.10000E+01 volume  0.12898E-03 ppm1      4.617 ppm2      1.406 CV     1
  OR {  869}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
  OR {  869}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 44   and name HB  ))
  OR {  869}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 16   and name HG3 ))
  ASSI {  876}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
       5.100     3.300     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.29066E-04 ppm1      4.583 ppm2      2.224 CV     1
  OR {  876}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  OR {  876}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
  ASSI {  877}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
       3.100     3.100     2.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.86236E-03 ppm1      4.583 ppm2      2.178 CV     1
  OR {  877}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
  OR {  877}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  OR {  877}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 35   and name HG3 ))
  ASSI {  878}
    (( segid "    " and resid 11   and name HB  ))
    (( segid "    " and resid 12   and name HG3 ))
       4.500     2.500     1.500 peak   878 spectrum    1 weight  0.10000E+01 volume  0.11039E-03 ppm1      4.584 ppm2      1.693 CV     1
  OR {  878}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
  OR {  878}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
  OR {  878}
    (( segid "    " and resid 4    and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI {  881}
    (( segid "    " and resid 25   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       5.700     4.100     0.300 peak   881 spectrum    1 weight  0.10000E+01 volume  0.27691E-04 ppm1      4.581 ppm2      0.588 CV     1
  OR {  881}
    (( segid "    " and resid 46   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI {  884}
    (( segid "    " and resid 25   and name HA  ))
    (  segid "    " and resid 23   and name HG2%)
       3.600     1.700     1.700 peak   884 spectrum    1 weight  0.10000E+01 volume  0.21632E-03 ppm1      4.579 ppm2      0.166 CV     1
  OR {  884}
    (( segid "    " and resid 5    and name HA  ))
    (  segid "    " and resid 23   and name HG2%)
  ASSI {  889}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HB2 ))
       4.100     2.100     1.900 peak   889 spectrum    1 weight  0.10000E+01 volume  0.23862E-03 ppm1      4.527 ppm2      2.584 CV     1
  OR {  889}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 50   and name HB2 ))
  ASSI {  891}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HG3 ))
       3.700     1.800     1.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.51666E-03 ppm1      4.523 ppm2      1.420 CV     1
  OR {  891}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 16   and name HG3 ))
  ASSI {  892}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HB3 ))
       2.000     2.000     4.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.24420E-01 ppm1      4.523 ppm2      0.964 CV     1
  OR {  892}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 16   and name HB3 ))
  ASSI {  893}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
       4.600     2.700     1.400 peak   893 spectrum    1 weight  0.10000E+01 volume  0.75082E-04 ppm1      4.518 ppm2      3.215 CV     1
  OR {  893}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 14   and name HB2 ))
  ASSI {  895}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 18   and name HB3 ))
       4.700     2.800     1.300 peak   895 spectrum    1 weight  0.10000E+01 volume  0.85492E-04 ppm1      4.513 ppm2      2.386 CV     1
  OR {  895}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
  ASSI {  896}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 49   and name HB2 ))
       6.000     4.600     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.24829E-04 ppm1      4.518 ppm2      1.991 CV     1
  OR {  896}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 13   and name HB3 ))
  OR {  896}
    (( segid "    " and resid 3    and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
  ASSI {  897}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 8    and name HD3 ))
       3.600     3.600     2.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.25350E-03 ppm1      4.514 ppm2      1.744 CV     1
  OR {  897}
    (( segid "    " and resid 48   and name HA1 ))
    (( segid "    " and resid 17   and name HB  ))
  OR {  897}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
  ASSI {  900}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
       2.700     0.900     0.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.16726E-02 ppm1      4.511 ppm2      2.802 CV     1
  OR {  900}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HB2 ))
  ASSI {  903}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 8    and name HB3 ))
       4.900     3.000     1.100 peak   903 spectrum    1 weight  0.10000E+01 volume  0.53152E-04 ppm1      4.497 ppm2      1.570 CV     1
  OR {  903}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 8    and name HB3 ))
  ASSI {  905}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 27   and name HB3 ))
       3.900     1.900     1.900 peak   905 spectrum    1 weight  0.10000E+01 volume  0.25721E-03 ppm1      4.480 ppm2      3.564 CV     1
  OR {  905}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {  906}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 27   and name HB2 ))
       3.300     3.300     2.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.88461E-03 ppm1      4.480 ppm2      3.154 CV     1
  OR {  906}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 27   and name HB2 ))
  ASSI {  907}
    (( segid "    " and resid 21   and name HA  ))
    (  segid "    " and resid 42   and name HD1%)
       3.400     1.500     1.500 peak   907 spectrum    1 weight  0.10000E+01 volume  0.43116E-03 ppm1      4.480 ppm2      0.626 CV     1
  OR {  907}
    (( segid "    " and resid 48   and name HA1 ))
    (  segid "    " and resid 17   and name HG1%)
  ASSI {  912}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
       3.800     1.800     1.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.35906E-03 ppm1      4.454 ppm2      2.804 CV     1
  OR {  912}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
  ASSI {  913}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
       2.700     2.700     3.300 peak   913 spectrum    1 weight  0.10000E+01 volume  0.31520E-02 ppm1      4.455 ppm2      2.167 CV     1
  OR {  913}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
  ASSI {  938}
    (( segid "    " and resid 10   and name HA  ))
    (  segid "    " and resid 9    and name HB% )
       3.300     1.400     1.400 peak   938 spectrum    1 weight  0.10000E+01 volume  0.50179E-03 ppm1      5.061 ppm2      1.335 CV     1
  OR {  938}
    (( segid "    " and resid 10   and name HA  ))
    (  segid "    " and resid 11   and name HG2%)
  OR {  938}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
  ASSI {  939}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HB3 ))
       2.500     0.800     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.29921E-02 ppm1      5.044 ppm2      2.813 CV     1
  OR {  939}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
  ASSI {  943}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HB2 ))
       4.300     2.400     1.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.16057E-03 ppm1      5.036 ppm2      1.998 CV     1
  OR {  943}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 40   and name HB2 ))
  OR {  943}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 5    and name HB  ))
  OR {  943}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI {  944}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HG3 ))
       4.300     2.300     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.23194E-03 ppm1      5.036 ppm2      1.894 CV     1
  OR {  944}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 35   and name HB3 ))
  ASSI {  957}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 36   and name HB2 ))
       2.700     2.700     3.300 peak   957 spectrum    1 weight  0.10000E+01 volume  0.13195E-02 ppm1      4.363 ppm2      1.959 CV     1
  OR {  957}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 49   and name HB2 ))
  ASSI {  958}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 10   and name HB2 ))
       4.400     2.400     1.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.14607E-03 ppm1      4.357 ppm2      2.796 CV     1
  OR {  958}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI {  978}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 18   and name HB2 ))
       4.000     2.000     2.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.20071E-03 ppm1      4.217 ppm2      1.425 CV     1
  OR {  978}
    (( segid "    " and resid 43   and name HB  ))
    (( segid "    " and resid 44   and name HB  ))
  OR {  978}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 44   and name HB  ))
  ASSI {  979}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HB2 ))
       5.700     4.000     0.300 peak   979 spectrum    1 weight  0.10000E+01 volume  0.31594E-04 ppm1      4.214 ppm2      3.212 CV     1
  OR {  979}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  982}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
       6.000     6.000     0.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.62073E-05 ppm1      4.205 ppm2      2.330 CV     1
  OR {  982}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
  ASSI {  984}
    (( segid "    " and resid 45   and name HA  ))
    (  segid "    " and resid 45   and name HB% )
       2.100     0.600     0.600 peak   984 spectrum    1 weight  0.10000E+01 volume  0.73596E-02 ppm1      4.205 ppm2      1.168 CV     1
  OR {  984}
    (( segid "    " and resid 43   and name HB  ))
    (  segid "    " and resid 43   and name HG2%)
  ASSI {  986}
    (( segid "    " and resid 43   and name HB  ))
    (( segid "    " and resid 44   and name HG12))
       4.300     2.300     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.15500E-03 ppm1      4.203 ppm2     -0.603 CV     1
  OR {  986}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 44   and name HG12))
  OR {  986}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 44   and name HG12))
  ASSI {  988}
    (( segid "    " and resid 45   and name HA  ))
    (  segid "    " and resid 44   and name HG2%)
       3.300     1.400     1.400 peak   988 spectrum    1 weight  0.10000E+01 volume  0.70993E-03 ppm1      4.200 ppm2      0.350 CV     1
  OR {  988}
    (( segid "    " and resid 17   and name HA  ))
    (  segid "    " and resid 44   and name HG2%)
  OR {  988}
    (( segid "    " and resid 43   and name HB  ))
    (  segid "    " and resid 44   and name HD1%)
  ASSI {  989}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
       5.100     3.200     0.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.58356E-04 ppm1      4.190 ppm2      2.813 CV     1
  OR {  989}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
  OR {  989}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 15   and name HB2 ))
  OR {  989}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  OR {  989}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 39   and name HB3 ))
  ASSI {  990}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 35   and name HG3 ))
       5.200     3.300     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.50179E-04 ppm1      4.189 ppm2      2.159 CV     1
  OR {  990}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 34   and name HB3 ))
  ASSI {  996}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 47   and name HB2 ))
       4.400     2.400     1.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.15389E-03 ppm1      4.171 ppm2      2.074 CV     1
  OR {  996}
    (( segid "    " and resid 1    and name HA  ))
    (( segid "    " and resid 37   and name HB3 ))
  ASSI { 1002}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 23   and name HG1%)
       5.500     3.800     0.500 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.27914E-04 ppm1      4.142 ppm2      0.720 CV     1
  OR { 1002}
    (( segid "    " and resid 22   and name HA1 ))
    (  segid "    " and resid 23   and name HG1%)
  ASSI { 1008}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 18   and name HB3 ))
       3.600     1.600     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.50922E-03 ppm1      4.133 ppm2      2.352 CV     1
  OR { 1008}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 18   and name HB3 ))
  ASSI { 1015}
    (( segid "    " and resid 1    and name HA  ))
    (( segid "    " and resid 37   and name HB3 ))
       4.200     2.200     1.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.15351E-03 ppm1      4.134 ppm2      2.030 CV     1
  OR { 1015}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI { 1019}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 7    and name HB2 ))
       4.300     2.300     1.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.85492E-04 ppm1      4.134 ppm2      1.792 CV     1
  OR { 1019}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 7    and name HB3 ))
  OR { 1019}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
  ASSI { 1024}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 50   and name HB2 ))
       3.700     1.700     1.700 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.33230E-03 ppm1      4.117 ppm2      2.578 CV     1
  OR { 1024}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 50   and name HB2 ))
  ASSI { 1027}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
       5.400     3.600     0.600 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.36537E-04 ppm1      4.115 ppm2      1.323 CV     1
  OR { 1027}
    (( segid "    " and resid 16   and name HA  ))
    (  segid "    " and resid 11   and name HG2%)
  OR { 1027}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 9    and name HB% )
  OR { 1027}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 42   and name HG12))
  OR { 1027}
    (( segid "    " and resid 1    and name HA  ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1030}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 49   and name HB3 ))
       3.100     1.200     1.200 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.11894E-02 ppm1      4.110 ppm2      2.182 CV     1
  OR { 1030}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  ASSI { 1033}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 18   and name HB3 ))
       3.300     3.300     2.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.59100E-03 ppm1      4.104 ppm2      2.380 CV     1
  OR { 1033}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 18   and name HB3 ))
  ASSI { 1034}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 49   and name HB3 ))
       3.000     1.100     1.100 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.14161E-02 ppm1      4.103 ppm2      2.236 CV     1
  OR { 1034}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 23   and name HB  ))
  OR { 1034}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 49   and name HB3 ))
  ASSI { 1036}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
       4.200     2.200     1.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.15537E-03 ppm1      4.102 ppm2      1.789 CV     1
  OR { 1036}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 7    and name HB2 ))
  ASSI { 1038}
    (( segid "    " and resid 24   and name HB  ))
    (  segid "    " and resid 23   and name HG2%)
       4.300     2.300     1.700 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.11151E-03 ppm1      4.104 ppm2      0.164 CV     1
  OR { 1038}
    (( segid "    " and resid 22   and name HA1 ))
    (  segid "    " and resid 23   and name HG2%)
  ASSI { 1041}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 49   and name HB2 ))
       3.700     1.700     1.700 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.36612E-03 ppm1      4.091 ppm2      1.986 CV     1
  OR { 1041}
    (( segid "    " and resid 24   and name HB  ))
    (( segid "    " and resid 49   and name HB2 ))
  ASSI { 1049}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 36   and name HB2 ))
       1.800     1.800     4.200 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.24346E-01 ppm1      4.079 ppm2      1.933 CV     1
  OR { 1049}
    (( segid "    " and resid 22   and name HA1 ))
    (( segid "    " and resid 42   and name HB  ))
  ASSI { 1063}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 33   and name HB% )
       4.000     2.000     2.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.21521E-03 ppm1      4.033 ppm2      1.320 CV     1
  OR { 1063}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
  ASSI { 1066}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 28   and name HB3 ))
       3.700     1.700     1.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.34605E-03 ppm1      3.995 ppm2      2.484 CV     1
  OR { 1066}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 39   and name HB2 ))
  ASSI { 1069}
    (( segid "    " and resid 6    and name HA1 ))
    (( segid "    " and resid 7    and name HB2 ))
       2.500     2.500     3.500 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.38285E-02 ppm1      3.995 ppm2      1.765 CV     1
  OR { 1069}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 17   and name HB  ))
  ASSI { 1070}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 42   and name HG12))
       3.200     1.300     1.300 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.81401E-03 ppm1      3.990 ppm2      1.318 CV     1
  OR { 1070}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 42   and name HG12))
  ASSI { 1072}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 42   and name HD1%)
       3.300     1.400     1.400 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.56870E-03 ppm1      3.993 ppm2      0.623 CV     1
  OR { 1072}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1075}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
       2.900     1.100     1.100 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.17655E-02 ppm1      3.990 ppm2      1.656 CV     1
  OR { 1075}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 42   and name HG13))
  OR { 1075}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1081}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 16   and name HB3 ))
       3.700     1.700     1.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.36315E-03 ppm1      3.962 ppm2      0.975 CV     1
  OR { 1081}
    (( segid "    " and resid 6    and name HA1 ))
    (  segid "    " and resid 5    and name HG1%)
  ASSI { 1085}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 45   and name HB% )
       3.600     1.600     1.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.50179E-03 ppm1      3.949 ppm2      1.169 CV     1
  OR { 1085}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 43   and name HG2%)
  ASSI { 1089}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 42   and name HG13))
       4.800     2.800     1.200 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.10221E-03 ppm1      3.915 ppm2      1.666 CV     1
  OR { 1089}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1095}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HG2 ))
       2.900     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      3.588 ppm2      2.004 CV     1
  OR { 1095}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 40   and name HB2 ))
  ASSI { 1097}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HB2 ))
       4.000     2.000     2.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.23380E-03 ppm1      3.585 ppm2      1.075 CV     1
  OR { 1097}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 16   and name HD2 ))
  ASSI { 1098}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 16   and name HB3 ))
       4.500     2.500     1.500 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.60215E-04 ppm1      3.583 ppm2      0.959 CV     1
  OR { 1098}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 5    and name HG1%)
  ASSI { 1126}
    (( segid "    " and resid 48   and name HA2 ))
    (  segid "    " and resid 17   and name HG1%)
       5.600     3.900     0.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.18399E-04 ppm1      3.403 ppm2      0.634 CV     1
  OR { 1126}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 17   and name HG1%)
  ASSI { 1127}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 16   and name HG3 ))
       3.100     1.200     1.200 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.14534E-02 ppm1      3.394 ppm2      1.418 CV     1
  OR { 1127}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 18   and name HB2 ))
  ASSI { 1128}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 16   and name HD2 ))
       4.500     2.500     1.500 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.15760E-03 ppm1      3.390 ppm2      1.102 CV     1
  OR { 1128}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 16   and name HD2 ))
  OR { 1128}
    (( segid "    " and resid 48   and name HA2 ))
    (  segid "    " and resid 24   and name HG2%)
  ASSI { 1129}
    (( segid "    " and resid 48   and name HA2 ))
    (( segid "    " and resid 16   and name HB3 ))
       4.400     2.400     1.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.24086E-03 ppm1      3.389 ppm2      0.973 CV     1
  OR { 1129}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 16   and name HB3 ))
  ASSI { 1130}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 11   and name HG2%)
       5.000     3.200     1.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.50922E-04 ppm1      3.384 ppm2      1.330 CV     1
  OR { 1130}
    (( segid "    " and resid 37   and name HG3 ))
    (  segid "    " and resid 33   and name HB% )
  OR { 1130}
    (( segid "    " and resid 29   and name HB3 ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1135}
    (( segid "    " and resid 10   and name HB3 ))
    (  segid "    " and resid 33   and name HB% )
       3.700     1.700     1.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.27134E-03 ppm1      3.318 ppm2      1.336 CV     1
  OR { 1135}
    (( segid "    " and resid 10   and name HB3 ))
    (  segid "    " and resid 9    and name HB% )
  OR { 1135}
    (( segid "    " and resid 10   and name HB3 ))
    (  segid "    " and resid 11   and name HG2%)
  ASSI { 1145}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 33   and name HB% )
       5.100     3.200     0.900 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.43116E-04 ppm1      3.204 ppm2      1.327 CV     1
  OR { 1145}
    (( segid "    " and resid 14   and name HB2 ))
    (  segid "    " and resid 11   and name HG2%)
  ASSI { 1146}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 17   and name HG2%)
       5.000     3.200     1.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.56497E-04 ppm1      3.206 ppm2      0.587 CV     1
  OR { 1146}
    (( segid "    " and resid 46   and name HB2 ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI { 1150}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 16   and name HB3 ))
       4.200     2.200     1.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.12191E-03 ppm1      3.193 ppm2      0.967 CV     1
  OR { 1150}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 16   and name HB3 ))
  ASSI { 1151}
    (( segid "    " and resid 46   and name HB2 ))
    (  segid "    " and resid 44   and name HG2%)
       5.100     3.300     0.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.51666E-04 ppm1      3.194 ppm2      0.348 CV     1
  OR { 1151}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 44   and name HD1%)
  ASSI { 1152}
    (( segid "    " and resid 50   and name HB3 ))
    (  segid "    " and resid 24   and name HG2%)
       4.200     2.200     1.800 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.11449E-03 ppm1      3.173 ppm2      1.107 CV     1
  OR { 1152}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 16   and name HD2 ))
  OR { 1152}
    (( segid "    " and resid 7    and name HD3 ))
    (  segid "    " and resid 24   and name HG2%)
  ASSI { 1153}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 49   and name HB3 ))
       3.700     1.700     1.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.19402E-03 ppm1      3.147 ppm2      2.222 CV     1
  OR { 1153}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 23   and name HB  ))
  ASSI { 1165}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 42   and name HB  ))
       4.800     2.900     1.200 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.65790E-04 ppm1      3.045 ppm2      1.966 CV     1
  OR { 1165}
    (( segid "    " and resid 6    and name HA2 ))
    (( segid "    " and resid 5    and name HB  ))
  OR { 1165}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 5    and name HB  ))
  ASSI { 1166}
    (( segid "    " and resid 29   and name HB2 ))
    (  segid "    " and resid 33   and name HB% )
       3.300     1.400     1.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.62073E-03 ppm1      3.044 ppm2      1.318 CV     1
  OR { 1166}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 42   and name HG12))
  OR { 1166}
    (( segid "    " and resid 30   and name HB3 ))
    (  segid "    " and resid 33   and name HB% )
  OR { 1166}
    (( segid "    " and resid 30   and name HB3 ))
    (  segid "    " and resid 9    and name HB% )
  ASSI { 1168}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 17   and name HG2%)
       3.500     1.500     1.500 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.45347E-03 ppm1      2.998 ppm2      0.589 CV     1
  OR { 1168}
    (( segid "    " and resid 15   and name HB3 ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI { 1172}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 16   and name HB3 ))
       5.500     3.800     0.500 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.36872E-04 ppm1      2.963 ppm2      0.959 CV     1
  OR { 1172}
    (( segid "    " and resid 4    and name HB3 ))
    (  segid "    " and resid 5    and name HG1%)
  ASSI { 1179}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 17   and name HB  ))
       5.300     3.500     0.700 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.31817E-04 ppm1      2.875 ppm2      1.779 CV     1
  OR { 1179}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 17   and name HB  ))
  ASSI { 1180}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 23   and name HG2%)
       4.200     2.200     1.800 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.89206E-04 ppm1      2.876 ppm2      0.163 CV     1
  OR { 1180}
    (( segid "    " and resid 38   and name HB2 ))
    (  segid "    " and resid 23   and name HG2%)
  ASSI { 1185}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 42   and name HG13))
       4.500     2.500     1.500 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.13121E-03 ppm1      2.802 ppm2      1.642 CV     1
  OR { 1185}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1186}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 42   and name HG12))
       3.700     1.700     1.700 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.26799E-03 ppm1      2.801 ppm2      1.317 CV     1
  OR { 1186}
    (( segid "    " and resid 10   and name HB2 ))
    (  segid "    " and resid 33   and name HB% )
  OR { 1186}
    (( segid "    " and resid 30   and name HB2 ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1187}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 34   and name HG2 ))
       2.400     2.400     3.600 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.35125E-02 ppm1      2.778 ppm2      2.050 CV     1
  OR { 1187}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 34   and name HG2 ))
  OR { 1187}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 34   and name HG2 ))
  ASSI { 1188}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 35   and name HB3 ))
       3.200     3.200     2.800 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.73967E-03 ppm1      2.777 ppm2      1.842 CV     1
  OR { 1188}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 12   and name HB3 ))
  ASSI { 1202}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 35   and name HB2 ))
       2.800     2.800     3.200 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.15016E-02 ppm1      2.386 ppm2      1.090 CV     1
  OR { 1202}
    (( segid "    " and resid 18   and name HB3 ))
    (  segid "    " and resid 24   and name HG2%)
  ASSI { 1208}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 35   and name HB2 ))
       2.800     1.000     1.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.11449E-02 ppm1      1.991 ppm2      1.087 CV     1
  OR { 1208}
    (( segid "    " and resid 49   and name HB2 ))
    (  segid "    " and resid 24   and name HG2%)
  ASSI { 1213}
    (  segid "    " and resid 47   and name HE% )
    (  segid "    " and resid 17   and name HG1%)
       3.200     1.300     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.75454E-03 ppm1      1.842 ppm2      0.625 CV     1
  OR { 1213}
    (( segid "    " and resid 35   and name HB3 ))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1214}
    (  segid "    " and resid 47   and name HE% )
    (  segid "    " and resid 44   and name HG2%)
       3.700     1.800     1.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.20331E-03 ppm1      1.841 ppm2      0.348 CV     1
  OR { 1214}
    (( segid "    " and resid 35   and name HB3 ))
    (  segid "    " and resid 44   and name HD1%)
  ASSI { 1220}
    (( segid "    " and resid 18   and name HB2 ))
    (  segid "    " and resid 17   and name HG2%)
       3.000     3.000     3.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.14161E-02 ppm1      1.427 ppm2      0.586 CV     1
  OR { 1220}
    (( segid "    " and resid 44   and name HB  ))
    (  segid "    " and resid 17   and name HG2%)
  ASSI { 1225}
    (( segid "    " and resid 42   and name HG12))
    (( segid "    " and resid 35   and name HB2 ))
       2.800     2.800     3.200 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.12117E-02 ppm1      1.325 ppm2      1.091 CV     1
  OR { 1225}
    (  segid "    " and resid 33   and name HB% )
    (( segid "    " and resid 35   and name HB2 ))
  ASSI { 1230}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 34   and name HB2 ))
       2.100     2.100     3.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.74711E-02 ppm1      2.219 ppm2      1.667 CV     1
  OR { 1230}
    (( segid "    " and resid 23   and name HB  ))
    (( segid "    " and resid 34   and name HB2 ))
  OR { 1230}
    (( segid "    " and resid 23   and name HB  ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1232}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 8    and name HD3 ))
       2.000     2.000     4.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.75082E-02 ppm1      2.166 ppm2      1.740 CV     1
  OR { 1232}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 7    and name HB2 ))
  ASSI { 1243}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
       1.900     1.900     4.100 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.17210E-01 ppm1      3.211 ppm2      2.820 CV     1
  OR { 1243}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI { 1244}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 25   and name HB3 ))
       3.100     1.200     1.200 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.86972E-03 ppm1      3.201 ppm2      2.842 CV     1
  OR { 1244}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 25   and name HB2 ))
  OR { 1244}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI { 1245}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 38   and name HB3 ))
       3.700     1.700     1.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.37170E-03 ppm1      3.583 ppm2      3.049 CV     1
  OR { 1245}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 30   and name HB3 ))
  OR { 1245}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 29   and name HB2 ))
  ASSI { 1249}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 36   and name HG2 ))
       2.800     1.000     1.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.13901E-02 ppm1      3.889 ppm2      2.226 CV     1
  OR { 1249}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HB  ))
  ASSI { 1250}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 36   and name HG3 ))
       3.300     1.400     1.400 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.84747E-03 ppm1      3.887 ppm2      2.461 CV     1
  OR { 1250}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HG3 ))
  ASSI { 1253}
    (( segid "    " and resid 40   and name HD3 ))
    (  segid "    " and resid 1    and name HB% )
       2.900     2.900     3.100 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      3.877 ppm2      1.580 CV     1
  OR { 1253}
    (( segid "    " and resid 36   and name HA  ))
    (  segid "    " and resid 1    and name HB% )
  OR { 1253}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 8    and name HB3 ))
  ASSI { 1265}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 49   and name HB3 ))
       3.200     3.200     2.800 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      2.384 ppm2      2.182 CV     1
  OR { 1265}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 35   and name HG3 ))
  ASSI { 1267}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 34   and name HB2 ))
       3.100     1.200     1.200 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.87717E-03 ppm1      2.017 ppm2      1.647 CV     1
  OR { 1267}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1270}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 42   and name HN  ))
       5.100     3.200     0.900 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.57241E-04 ppm1      7.727 ppm2      7.265 CV     1
  OR { 1270}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 30   and name HD22))
  OR { 1270}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
  OR { 1270}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI { 1278}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
       4.900     3.000     1.100 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.70250E-04 ppm1      9.792 ppm2      6.743 CV     1
  OR { 1278}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 25   and name HE% )
  ASSI { 1280}
    (( segid "    " and resid 20   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       4.900     3.000     1.100 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.76197E-04 ppm1      9.782 ppm2      7.048 CV     1
  OR { 1280}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI { 1298}
    (( segid "    " and resid 43   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       3.900     1.900     1.900 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.33341E-03 ppm1      8.840 ppm2      7.249 CV     1
  OR { 1298}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI { 1299}
    (( segid "    " and resid 14   and name HN  ))
    (  segid "    " and resid 15   and name HD% )
       3.900     1.900     1.900 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.19254E-03 ppm1      8.836 ppm2      7.071 CV     1
  OR { 1299}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI { 1301}
    (( segid "    " and resid 14   and name HN  ))
    (  segid "    " and resid 15   and name HE% )
       4.300     2.300     1.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.11114E-03 ppm1      8.824 ppm2      6.765 CV     1
  OR { 1301}
    (( segid "    " and resid 43   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
  OR { 1301}
    (( segid "    " and resid 21   and name HN  ))
    (  segid "    " and resid 31   and name HD% )
  ASSI { 1303}
    (( segid "    " and resid 46   and name HE1 ))
    (( segid "    " and resid 46   and name HD2 ))
       4.300     2.300     1.700 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.15276E-03 ppm1      8.729 ppm2      7.218 CV     1
  OR { 1303}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 7    and name HE  ))
  ASSI { 1305}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       4.600     2.700     1.400 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.78427E-04 ppm1      8.664 ppm2      7.047 CV     1
  OR { 1305}
    (( segid "    " and resid 32   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
  OR { 1305}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI { 1308}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
       3.900     1.900     1.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.34233E-03 ppm1      8.661 ppm2      7.245 CV     1
  OR { 1308}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 30   and name HD22))
  ASSI { 1311}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       3.800     1.800     1.800 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.26874E-03 ppm1      8.507 ppm2      6.907 CV     1
  OR { 1311}
    (( segid "    " and resid 44   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
  OR { 1311}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
  ASSI { 1315}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       4.900     3.000     1.100 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.60958E-04 ppm1      8.359 ppm2      6.882 CV     1
  OR { 1315}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 34   and name HE22))
  OR { 1315}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 37   and name HE22))
  ASSI { 1316}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 7    and name HE  ))
       4.100     2.100     1.900 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.15797E-03 ppm1      8.305 ppm2      7.178 CV     1
  OR { 1316}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
  OR { 1316}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI { 1319}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
       2.200     0.600     0.600 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.69507E-02 ppm1      8.243 ppm2      7.243 CV     1
  OR { 1319}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
  ASSI { 1321}
    (( segid "    " and resid 24   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       4.300     2.300     1.700 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.10854E-03 ppm1      8.189 ppm2      7.022 CV     1
  OR { 1321}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  OR { 1321}
    (( segid "    " and resid 48   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
  OR { 1321}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI { 1322}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 12   and name HE  ))
       4.000     2.000     2.000 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.18213E-03 ppm1      8.119 ppm2      7.244 CV     1
  OR { 1322}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 30   and name HD22))
  ASSI { 1333}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
       4.300     2.300     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.13715E-03 ppm1      7.827 ppm2      6.885 CV     1
  OR { 1333}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HE22))
  OR { 1333}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {   56}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 27   and name HD21))
       4.000     2.000     2.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.33988E-03 ppm1      8.933 ppm2      8.129 CV     1
  OR {   56}
    (( segid "    " and resid 15   and name HN  ))
    (( segid "    " and resid 13   and name HN  ))
  ASSI {   86}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 13   and name HN  ))
       4.200     2.300     1.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19027E-03 ppm1      8.843 ppm2      8.106 CV     1
  OR {   86}
    (( segid "    " and resid 14   and name HN  ))
    (( segid "    " and resid 27   and name HD21))
  ASSI {  125}
    (( segid "    " and resid 23   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       5.800     4.100     0.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.27763E-04 ppm1      7.747 ppm2      7.022 CV     1
  OR {  125}
    (( segid "    " and resid 23   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  175}
    (( segid "    " and resid 24   and name HN  ))
    (  segid "    " and resid 25   and name HD% )
       6.000     5.000     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.15311E-04 ppm1      8.197 ppm2      7.029 CV     1
  OR {  175}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 35   and name HE22))
  ASSI {  226}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 34   and name HE21))
       4.000     2.000     2.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.27286E-03 ppm1      8.350 ppm2      8.000 CV     1
  OR {  226}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 37   and name HE21))
  ASSI {  346}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
       2.500     0.800     0.800 peak   346 spectrum    1 weight  0.10000E+01 volume  0.40024E-02 ppm1      7.834 ppm2      8.644 CV     1
  OR {  346}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  400}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       6.000     6.000     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.74331E-06 ppm1      8.811 ppm2      7.225 CV     1
  OR {  400}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 46   and name HN  ))
  ASSI {  421}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 13   and name HN  ))
       2.900     1.000     1.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.14453E-02 ppm1      8.578 ppm2      8.123 CV     1
  OR {  421}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 27   and name HD21))
  ASSI {  453}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 17   and name HN  ))
       6.000     6.000     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.42883E-05 ppm1      9.306 ppm2      8.322 CV     1
  OR {  453}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  470}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HE22))
       4.400     2.500     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.99746E-04 ppm1      7.809 ppm2      6.896 CV     1
  OR {  470}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 37   and name HE22))
  OR {  470}
    (( segid "    " and resid 39   and name HN  ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  471}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HA  ))
       2.600     0.800     0.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.35259E-02 ppm1      7.801 ppm2      5.022 CV     1
  OR {  471}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  494}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 41   and name HA  ))
       3.000     1.100     1.100 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13564E-02 ppm1      7.246 ppm2      4.705 CV     1
  OR {  494}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 40   and name HA  ))
  ASSI {  506}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 43   and name HN  ))
       2.700     0.900     0.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.22490E-02 ppm1      9.767 ppm2      8.825 CV     1
  OR {  506}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  768}
    (( segid "    " and resid 11   and name HN  ))
    (( segid "    " and resid 12   and name HE  ))
       6.000     5.000     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.16836E-04 ppm1      8.235 ppm2      7.256 CV     1
  OR {  768}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 14   and name HD1 ))
  ASSI {  837}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 21   and name HN  ))
       5.800     4.100     0.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.33036E-04 ppm1      7.711 ppm2      8.828 CV     1
  OR {  837}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 43   and name HN  ))
  ASSI {  839}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 44   and name HN  ))
       4.900     3.000     1.100 peak   839 spectrum    1 weight  0.10000E+01 volume  0.68613E-04 ppm1      7.709 ppm2      8.480 CV     1
  OR {  839}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  849}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 42   and name HA  ))
       5.800     4.300     0.200 peak   849 spectrum    1 weight  0.10000E+01 volume  0.31542E-04 ppm1      7.710 ppm2      4.204 CV     1
  OR {  849}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 43   and name HB  ))
  ASSI {  899}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       3.400     3.400     2.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.48283E-03 ppm1      7.606 ppm2      7.938 CV     1
  OR {  899}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 34   and name HE21))
  ASSI {  905}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 36   and name HA  ))
       3.200     1.300     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.96567E-03 ppm1      7.606 ppm2      3.898 CV     1
  OR {  905}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 33   and name HA  ))
  ASSI {  925}
    (( segid "    " and resid 37   and name HE21))
    (( segid "    " and resid 38   and name HA  ))
       6.000     5.700     0.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.11499E-04 ppm1      7.984 ppm2      5.015 CV     1
  OR {  925}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  942}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 4    and name HN  ))
       4.700     2.800     1.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.82907E-04 ppm1      6.901 ppm2      8.332 CV     1
  OR {  942}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 9    and name HN  ))
  ASSI {  948}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 30   and name HD22))
       3.600     3.600     2.400 peak   948 spectrum    1 weight  0.10000E+01 volume  0.29129E-03 ppm1      6.886 ppm2      7.232 CV     1
  OR {  948}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 7    and name HE  ))
  ASSI {  958}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 38   and name HA  ))
       6.000     5.900     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.93071E-05 ppm1      6.896 ppm2      5.045 CV     1
  OR {  958}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  964}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 6    and name HA2 ))
       2.700     2.700     3.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.23729E-02 ppm1      6.901 ppm2      3.052 CV     1
  OR {  964}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 38   and name HB3 ))
  ASSI { 1076}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HB  ))
       3.400     1.500     1.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.91163E-03 ppm1      9.512 ppm2      4.086 CV     1
  OR { 1076}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 16   and name HA  ))
  ASSI { 1092}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 15   and name HA  ))
       5.200     3.300     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.79096E-04 ppm1     10.310 ppm2      4.504 CV     1
  OR { 1092}
    (( segid "    " and resid 14   and name HE1 ))
    (( segid "    " and resid 48   and name HA1 ))
  ASSI { 1129}
    (( segid "    " and resid 5    and name HN  ))
    (  segid "    " and resid 1    and name HB% )
       6.000     6.000     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.34942E-05 ppm1      8.532 ppm2      1.618 CV     1
  OR { 1129}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 8    and name HB3 ))
  OR { 1129}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1145}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 7    and name HG3 ))
       2.500     2.500     3.500 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      8.447 ppm2      1.677 CV     1
  OR { 1145}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1161}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 7    and name HG3 ))
       3.200     1.300     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.70519E-03 ppm1      8.350 ppm2      1.664 CV     1
  OR { 1161}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1180}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 8    and name HG3 ))
       5.500     3.800     0.500 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.43201E-04 ppm1      8.751 ppm2      1.339 CV     1
  OR { 1180}
    (( segid "    " and resid 7    and name HN  ))
    (  segid "    " and resid 9    and name HB% )
  ASSI { 1198}
    (( segid "    " and resid 50   and name HN  ))
    (( segid "    " and resid 16   and name HB2 ))
       6.000     6.000     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.56225E-05 ppm1      8.371 ppm2      0.739 CV     1
  OR { 1198}
    (( segid "    " and resid 50   and name HN  ))
    (  segid "    " and resid 23   and name HG1%)
  ASSI { 1214}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 7    and name HD3 ))
       6.000     6.000     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.51777E-05 ppm1      8.215 ppm2      3.224 CV     1
  OR { 1214}
    (( segid "    " and resid 24   and name HN  ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI { 1237}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 46   and name HB2 ))
       6.000     5.400     0.000 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.16645E-04 ppm1      8.238 ppm2      3.166 CV     1
  OR { 1237}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 50   and name HB3 ))
  ASSI { 1283}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 37   and name HB3 ))
       5.200     3.300     0.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.61624E-04 ppm1      8.343 ppm2      2.033 CV     1
  OR { 1283}
    (( segid "    " and resid 4    and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  ASSI { 1316}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 10   and name HB2 ))
       2.500     0.800     0.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.36213E-02 ppm1      8.108 ppm2      2.797 CV     1
  OR { 1316}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI { 1322}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 7    and name HG3 ))
       3.800     3.800     2.200 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.33353E-03 ppm1      8.109 ppm2      1.666 CV     1
  OR { 1322}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 12   and name HG3 ))
  OR { 1322}
    (( segid "    " and resid 10   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1357}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 12   and name HG3 ))
       5.200     3.400     0.800 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.51142E-04 ppm1      8.657 ppm2      1.690 CV     1
  OR { 1357}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1358}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       5.900     4.400     0.100 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.28557E-04 ppm1      8.676 ppm2      1.634 CV     1
  OR { 1358}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 8    and name HB3 ))
  ASSI { 1360}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       5.600     4.000     0.400 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.22998E-04 ppm1      8.658 ppm2      0.604 CV     1
  OR { 1360}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 17   and name HG1%)
  OR { 1360}
    (( segid "    " and resid 30   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1385}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 36   and name HG3 ))
       6.000     4.600     0.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.30082E-04 ppm1      7.676 ppm2      2.457 CV     1
  OR { 1385}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 39   and name HB2 ))
  ASSI { 1395}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 35   and name HG2 ))
       6.000     6.000     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.34306E-05 ppm1      7.835 ppm2      2.037 CV     1
  OR { 1395}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  ASSI { 1399}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       3.500     1.500     1.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.58448E-03 ppm1      7.834 ppm2      0.594 CV     1
  OR { 1399}
    (( segid "    " and resid 31   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1411}
    (( segid "    " and resid 3    and name HN  ))
    (( segid "    " and resid 37   and name HB3 ))
       3.200     3.200     2.800 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.68930E-03 ppm1      8.496 ppm2      2.056 CV     1
  OR { 1411}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 47   and name HB2 ))
  ASSI { 1437}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
       3.100     1.200     1.200 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      8.818 ppm2      4.134 CV     1
  OR { 1437}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 22   and name HA1 ))
  ASSI { 1506}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 30   and name HB2 ))
       3.000     1.100     1.100 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.19282E-02 ppm1      9.305 ppm2      2.842 CV     1
  OR { 1506}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 25   and name HB2 ))
  OR { 1506}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 25   and name HB3 ))
  ASSI { 1511}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 9    and name HB% )
       6.000     5.900     0.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.72425E-05 ppm1      9.302 ppm2      1.333 CV     1
  OR { 1511}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 11   and name HG2%)
  OR { 1511}
    (( segid "    " and resid 26   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1516}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HB2 ))
       2.500     0.800     0.800 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.39389E-02 ppm1      7.803 ppm2      2.842 CV     1
  OR { 1516}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HB3 ))
  ASSI { 1519}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HB2 ))
       3.000     3.000     3.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.15056E-02 ppm1      7.803 ppm2      2.019 CV     1
  OR { 1519}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  OR { 1519}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI { 1520}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       4.400     2.400     1.600 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.14390E-03 ppm1      7.800 ppm2      1.646 CV     1
  OR { 1520}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1545}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       6.000     6.000     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.32083E-05 ppm1      8.633 ppm2      1.635 CV     1
  OR { 1545}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1552}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 22   and name HA1 ))
       5.300     3.500     0.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.49871E-04 ppm1      9.678 ppm2      4.148 CV     1
  OR { 1552}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 20   and name HA  ))
  OR { 1552}
    (( segid "    " and resid 19   and name HN  ))
    (( segid "    " and resid 24   and name HB  ))
  ASSI { 1574}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 7    and name HG3 ))
       6.000     4.800     0.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.20393E-04 ppm1      8.847 ppm2      1.625 CV     1
  OR { 1574}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 8    and name HB3 ))
  OR { 1574}
    (( segid "    " and resid 6    and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1587}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HA  ))
       3.200     1.300     1.300 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.10006E-02 ppm1      7.710 ppm2      3.590 CV     1
  OR { 1587}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 40   and name HD2 ))
  ASSI { 1591}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 36   and name HG3 ))
       4.700     2.800     1.300 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.10768E-03 ppm1      7.711 ppm2      2.453 CV     1
  OR { 1591}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 39   and name HB2 ))
  ASSI { 1593}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 40   and name HB2 ))
       2.800     2.800     3.200 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.28017E-02 ppm1      7.710 ppm2      2.012 CV     1
  OR { 1593}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  OR { 1593}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI { 1596}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 34   and name HB2 ))
       5.300     3.500     0.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.33988E-04 ppm1      7.691 ppm2      1.630 CV     1
  OR { 1596}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 42   and name HG13))
  ASSI { 1597}
    (( segid "    " and resid 38   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
       6.000     5.800     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.81001E-05 ppm1      7.711 ppm2      1.301 CV     1
  OR { 1597}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 42   and name HG12))
  ASSI { 1609}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 10   and name HB2 ))
       4.600     2.700     1.400 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.15597E-03 ppm1      8.114 ppm2      2.808 CV     1
  OR { 1609}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 30   and name HB2 ))
  OR { 1609}
    (( segid "    " and resid 27   and name HD21))
    (( segid "    " and resid 15   and name HB2 ))
  ASSI { 1615}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 16   and name HG3 ))
       3.700     1.800     1.800 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.56860E-03 ppm1      8.158 ppm2      1.420 CV     1
  OR { 1615}
    (( segid "    " and resid 48   and name HN  ))
    (( segid "    " and resid 18   and name HB2 ))
  ASSI { 1688}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HG3 ))
       4.600     2.600     1.400 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.15756E-03 ppm1      8.358 ppm2      1.402 CV     1
  OR { 1688}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 18   and name HB2 ))
  ASSI { 1763}
    (( segid "    " and resid 11   and name HN  ))
    (  segid "    " and resid 11   and name HG2%)
       2.800     1.000     1.000 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.25412E-02 ppm1      8.237 ppm2      1.327 CV     1
  OR { 1763}
    (( segid "    " and resid 36   and name HN  ))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1785}
    (( segid "    " and resid 30   and name HD21))
    (  segid "    " and resid 33   and name HB% )
       6.000     6.000     0.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.52095E-05 ppm1      7.438 ppm2      1.322 CV     1
  OR { 1785}
    (( segid "    " and resid 30   and name HD21))
    (( segid "    " and resid 8    and name HG3 ))
  ASSI { 1793}
    (( segid "    " and resid 30   and name HD22))
    (( segid "    " and resid 8    and name HG3 ))
       5.800     4.200     0.200 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.25412E-04 ppm1      7.215 ppm2      1.331 CV     1
  OR { 1793}
    (( segid "    " and resid 30   and name HD22))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1802}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 39   and name HB3 ))
       6.000     5.900     0.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.80683E-05 ppm1      7.705 ppm2      2.820 CV     1
  OR { 1802}
    (( segid "    " and resid 35   and name HE21))
    (( segid "    " and resid 25   and name HB2 ))
  ASSI { 1865}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 40   and name HB2 ))
       2.400     2.400     3.600 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.79096E-02 ppm1      7.605 ppm2      2.004 CV     1
  OR { 1865}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 34   and name HG2 ))
  OR { 1865}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI { 1879}
    (( segid "    " and resid 34   and name HE21))
    (  segid "    " and resid 42   and name HD1%)
       4.100     2.100     1.900 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.20679E-03 ppm1      7.985 ppm2      0.633 CV     1
  OR { 1879}
    (( segid "    " and resid 37   and name HE21))
    (  segid "    " and resid 42   and name HD1%)
  ASSI { 1898}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 34   and name HG2 ))
       3.600     1.600     1.600 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.74966E-03 ppm1      6.901 ppm2      2.047 CV     1
  OR { 1898}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 37   and name HB3 ))
  ASSI { 1900}
    (( segid "    " and resid 34   and name HE22))
    (( segid "    " and resid 34   and name HB2 ))
       4.100     2.100     1.900 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.20044E-03 ppm1      6.900 ppm2      1.625 CV     1
  OR { 1900}
    (( segid "    " and resid 37   and name HE22))
    (( segid "    " and resid 34   and name HB2 ))
  ASSI { 1926}
    (( segid "    " and resid 34   and name HE21))
    (( segid "    " and resid 8    and name HG3 ))
       3.100     3.100     2.900 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.80366E-03 ppm1      7.939 ppm2      1.328 CV     1
  OR { 1926}
    (( segid "    " and resid 34   and name HE21))
    (  segid "    " and resid 33   and name HB% )
  ASSI { 1993}
    (( segid "    " and resid 44   and name HN  ))
    (  segid "    " and resid 17   and name HG2%)
       2.400     2.400     3.600 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.52095E-02 ppm1      8.476 ppm2      0.597 CV     1
  OR { 1993}
    (( segid "    " and resid 44   and name HN  ))
    (  segid "    " and resid 42   and name HD1%)



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