NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1679 8.3101 120.1327 56.2140 33.4367 175.4729
  2     A  4.1604 8.2470 126.2745 49.4287 19.5018 171.7604
  3     V  4.0199 8.7270 120.1924 61.3427 33.5226 173.6815
  4     Y  4.5041 8.3644 119.6405 56.7129 39.0012 175.6190
  5     N  4.8316 8.7228 122.2812 53.1995 40.9884 174.7417
  6     F  4.6988 8.6432 125.2210 58.0131 37.6311 179.2399
  7     A  4.0145 9.2770 117.6270 51.7678 18.7139 178.4050
  8     T  4.1639 8.1429 111.8840 61.2180 69.7705 174.4383
  9     M  4.2284 8.4775 120.1764 55.8702 31.9211 176.6608

  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 4.17 0.00 1.77 1.82 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 
  2     A  8.25 4.16 1.20 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  8.73 4.02 2.10 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 0.78 0.00 0.00 0.99 0.00 0.00 
  4     Y  8.36 4.50 0.00 3.05 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  8.72 4.83 0.00 2.79 2.83 0.00 0.00 7.02 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  8.64 4.70 0.00 2.93 2.31 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 
  7     A  9.28 4.01 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  8.14 4.16 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 1.20 0.00 0.00 
  9     M  8.48 4.23 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00