NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4004 8.3349 115.2900 57.6231 63.5342 173.6410
  2     L  3.9963 8.3364 127.4446 53.4077 42.1790 175.3193
  3     L  4.1341 8.4234 122.8988 55.7004 43.7849 176.0332
  4     M  4.0157 8.6787 123.3028 56.9150 32.9997 176.3425
  5     W  4.5088 8.0806 120.5202 55.4723 29.2162 175.4957
  6     I  4.5494 8.2352 124.4356 59.6113 38.8294 175.3740
  7     T  4.6558 8.2277 121.0590 61.5262 70.3593 174.6797
  8     Q  4.1829 8.4751 124.7815 55.8283 29.5472 176.8086
  9     V  3.8232 8.2435 113.2100 61.8279 31.6093 176.2628

  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 4.40 0.00 3.85 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  8.34 4.00 0.00 1.73 1.57 0.90 0.69 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     L  8.42 4.13 0.00 1.60 1.58 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.68 4.02 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.65 0.00 
  5     W  8.08 4.51 0.00 3.31 3.20 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  8.24 4.55 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.93 0.00 0.00 
  7     T  8.23 4.66 4.28 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 1.24 0.00 0.00 
  8     Q  8.48 4.18 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 
  9     V  8.24 3.82 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