NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3926 8.3349 115.2889 57.7456 63.2775 173.6015
  2     L  4.0362 8.3150 127.9298 53.0716 42.2650 175.2638
  3     L  4.0386 8.4545 123.1656 55.7877 43.4711 176.5770
  4     M  3.9037 8.5050 124.4015 56.5951 32.6669 176.0305
  5     W  4.7299 7.8542 118.3253 54.8072 30.6130 175.2138
  6     I  4.4965 8.3347 124.0612 59.5762 38.5753 175.3554
  7     T  4.2403 8.4563 122.9106 62.9533 69.1328 175.0712
  8     Q  4.2234 8.4429 124.9416 55.7480 29.6181 176.6740
  9     V  3.8329 8.2215 112.9337 61.8310 31.6550 176.3133

  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     S  8.33 4.39 0.00 3.84 3.85 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 
  2     L  8.31 4.04 0.00 1.72 1.56 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.45 4.04 0.00 1.60 1.58 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.50 3.90 0.00 1.31 1.76 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.52 0.00 
  5     W  7.85 4.73 0.00 3.36 3.13 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 
  6     I  8.33 4.50 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.94 0.00 0.00 
  7     T  8.46 4.24 4.27 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 
  8     Q  8.44 4.22 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 
  9     V  8.22 3.83 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 0.66 0.00 0.00 0.94 0.00 0.00