NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2434 8.3101 120.1373 56.2693 33.5394 175.0004
  2     A  4.3487 8.3234 125.9324 49.0291 20.0048 172.3074
  3     V  3.9495 8.0252 120.7691 61.5453 33.2794 173.6318
  4     Y  4.8443 7.9400 118.6447 54.9315 40.2093 175.2919
  5     N  4.6524 8.9240 121.7684 53.4451 40.8756 175.8879
  6     F  4.5165 8.5470 122.4083 58.0389 37.8335 179.2717
  7     A  4.0102 9.7141 117.5167 51.8488 18.7802 178.5556
  8     T  4.2523 8.1120 112.1858 61.0595 70.1065 174.5683
  9     M  4.2485 8.3964 119.9163 55.7879 31.9905 176.6408

  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 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.47 7.81 
  2     A  8.32 4.35 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  8.03 3.95 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 0.81 0.00 0.00 0.90 0.00 0.00 
  4     Y  7.94 4.84 0.00 2.98 2.95 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  8.92 4.65 0.00 2.80 2.86 0.00 0.00 7.00 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  8.55 4.52 0.00 2.92 2.30 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 
  7     A  9.71 4.01 1.43 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 4.25 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 1.20 0.00 0.00 
  9     M  8.40 4.25 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00