NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2225 8.3101 120.1368 56.2881 33.5002 175.2817
  2     A  4.2924 8.3111 125.9817 49.2382 19.8835 172.0498
  3     V  3.9948 7.9287 119.5443 61.2490 33.4716 173.5963
  4     Y  4.7452 7.8415 118.9496 55.0622 40.0551 175.4382
  5     N  4.6903 8.6489 121.1031 53.2069 40.8034 176.9049
  6     F  4.6518 8.1182 116.6588 57.0849 38.6849 179.7177
  7     A  4.1438 9.1334 130.9520 53.3904 18.3854 178.2246
  8     T  4.3631 8.1445 111.4897 60.9053 70.5949 174.8561
  9     M  4.2135 8.3788 119.8763 55.7220 32.1333 176.5586

  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 4.22 0.00 1.78 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 
  2     A  8.31 4.29 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 
  3     V  7.93 3.99 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 0.79 0.00 0.00 0.94 0.00 0.00 
  4     Y  7.84 4.75 0.00 2.82 2.87 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  8.65 4.69 0.00 2.73 2.81 0.00 0.00 6.96 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  8.12 4.65 0.00 2.99 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 0.00 0.00 0.00 0.00 
  7     A  9.13 4.14 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 
  8     T  8.14 4.36 4.26 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 
  9     M  8.38 4.21 0.00 2.04 2.02 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 2.59 2.54 0.00