NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2393 8.3101 120.1372 56.2270 33.5137 175.3541
  2     A  4.2153 8.3529 126.1583 49.4943 19.5081 172.1738
  3     V  3.9778 7.9884 119.8580 61.3625 33.3842 173.5942
  4     Y  4.8345 7.9939 119.1763 55.0119 40.0019 175.4802
  5     N  4.6981 8.8041 121.4744 53.2994 40.4913 176.2254
  6     F  4.8933 8.0498 124.0521 57.3604 37.8685 178.6123
  7     A  3.9830 9.0003 120.2873 51.9284 18.3289 177.6718
  8     T  4.2490 8.1074 111.5476 60.9278 70.0098 174.5151
  9     C  4.3212 8.4730 118.0990 60.2275 28.0992 174.0157

  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     K  8.31 4.24 0.00 1.79 1.86 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 
  2     A  8.35 4.22 1.30 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 
  3     V  7.99 3.98 2.08 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 0.79 0.00 0.00 0.88 0.00 0.00 
  4     Y  7.99 4.83 0.00 3.03 2.93 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 
  5     N  8.80 4.70 0.00 2.80 2.85 0.00 0.00 6.99 7.45 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     F  8.05 4.89 0.00 2.83 2.25 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  9.00 3.98 1.31 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     T  8.11 4.25 4.24 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 1.21 0.00 0.00 
  9     C  8.47 4.32 0.00 2.99 2.90 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