NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2313 8.3101 120.1364 56.1391 33.5165 175.3290
  2     A  4.1677 8.2688 124.9790 49.7226 19.3307 172.5251
  3     V  3.9827 8.2665 119.5978 61.3843 33.4481 173.3949
  4     Y  4.5909 8.2209 121.8899 55.5970 40.5802 175.3713
  5     N  4.5704 7.8889 124.3012 53.3342 40.6765 176.5547
  6     F  4.3731 8.0468 117.5926 56.7185 37.8659 179.8512
  7     A  4.0696 9.1144 131.2013 53.3914 18.3158 178.2498
  8     T  4.2496 8.1200 111.7526 60.7492 70.2430 174.5763
  9     C  4.3100 8.4162 117.9466 60.2122 28.1104 173.9811

  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 4.23 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 
  2     A  8.27 4.17 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 
  3     V  8.27 3.98 2.13 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 0.74 0.00 0.00 1.02 0.00 0.00 
  4     Y  8.22 4.59 0.00 2.80 2.73 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  7.89 4.57 0.00 2.44 2.56 0.00 0.00 7.08 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 4.37 0.00 3.03 2.13 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  9.11 4.07 1.28 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  8.12 4.25 4.22 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 1.17 0.00 0.00 
  9     C  8.42 4.31 0.00 2.97 2.89 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