NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3893 8.3349 115.2883 57.6943 63.5328 173.6334
  2     L  4.0063 8.2955 127.4567 53.1675 42.2219 175.2007
  3     L  4.0415 8.1839 123.3758 55.7582 43.3630 176.6501
  4     M  3.9871 8.3291 121.6367 55.3655 32.1547 175.8359
  5     W  4.8642 7.7172 119.6300 54.9347 30.7171 175.4100
  6     I  4.6236 8.3209 123.4502 59.9770 39.9925 174.6474
  7     T  4.5439 8.4330 122.2202 61.9593 69.8692 174.9218
  8     Q  4.2148 8.4006 124.4901 55.7692 29.6009 176.7421
  9     V  3.8297 8.2297 113.0838 61.8263 31.6434 176.2899

  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     S  8.33 4.39 0.00 3.84 3.83 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     L  8.30 4.01 0.00 1.71 1.55 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.18 4.04 0.00 1.59 1.57 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.33 3.99 0.00 1.80 1.59 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 
  5     W  7.72 4.86 0.00 3.32 3.16 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     I  8.32 4.62 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.93 0.00 0.00 
  7     T  8.43 4.54 4.27 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 1.23 0.00 0.00 
  8     Q  8.40 4.21 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 
  9     V  8.23 3.83 2.09 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 0.66 0.00 0.00 0.94 0.00 0.00