NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2972 8.3149 120.1339 55.8576 33.5153 175.6098
  2     L  4.0147 8.2789 123.0090 53.6409 42.3014 175.3268
  3     T  4.0095 8.9686 117.0582 61.8459 68.7044 172.5112
  4     P  4.4349 0.0000   0.0000 63.7549 31.8834 176.2752
  5     L  4.3469 7.2028 117.9137 54.9360 42.5072 177.2882
  6     C  4.7940 7.9453 114.6560 58.5202 28.5961 174.2294
  7     V  4.0182 7.5464 114.2452 60.9199 32.6804 176.0603
  8     T  4.6427 7.9941 116.3931 59.9238 70.4697 173.6259
  9     L  4.1690 8.6357 126.3773 55.3030 41.5855 177.0366

  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 4.30 0.00 1.76 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 
  2     L  8.28 4.01 0.00 1.71 1.60 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  3     T  8.97 4.01 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 
  4     P  0.00 4.43 0.00 2.08 2.08 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 
  5     L  7.20 4.35 0.00 1.65 1.64 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 
  6     C  7.95 4.79 0.00 2.89 2.80 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     V  7.55 4.02 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 0.67 0.00 0.00 0.93 0.00 0.00 
  8     T  7.99 4.64 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     L  8.64 4.17 0.00 1.65 1.58 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00