NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.2878 8.2649 123.5854 51.6479 19.4307 176.6677
  2     Q  4.0369 8.6497 122.1700 55.4846 29.3691 174.9149
  3     F  4.7972 8.4281 121.7983 57.3957 41.2216 175.0101
  4     S  4.3186 7.7330 119.9903 58.2510 65.3104 174.3932
  5     A  4.1165 5.9771 126.0492 50.8695 17.3347 175.6680
  6     S  4.5603 7.2031 117.0075 57.9776 64.7063 173.5710
  7     A  4.6219 8.0477 121.4914 51.0688 21.5750 175.8234
  8     S  4.6676 8.3288 114.6855 57.1365 65.1020 174.7001
  9     R  4.1937 8.3059 118.4891 56.4500 30.0181 176.7009

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     A  8.26 4.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     Q  8.65 4.04 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 
  3     F  8.43 4.80 0.00 2.90 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     S  7.73 4.32 0.00 3.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     A  5.98 4.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     S  7.20 4.56 0.00 4.03 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     A  8.05 4.62 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     S  8.33 4.67 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     R  8.31 4.19 0.00 1.82 1.88 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00