NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3951 8.3349 115.2879 57.6718 63.5463 173.6327
  2     L  3.9972 8.3102 127.2143 53.1510 42.2183 175.1555
  3     L  3.8897 8.4669 122.5302 55.6483 43.3332 176.8430
  4     M  4.2607 8.3627 124.3451 58.1894 32.5209 175.9913
  5     W  5.0571 7.0450 112.1813 55.3292 30.7387 173.1132
  6     I  4.4681 8.2736 119.0361 59.2348 39.7420 175.2216
  7     T  4.3001 8.5410 124.6936 63.2318 69.1016 174.6425
  8     Q  4.2232 8.4904 124.5297 55.4813 29.5681 176.3982
  9     L  4.1745 8.4588 119.1869 55.3793 41.6018 177.3168

  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 3.84 3.83 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 4.00 0.00 1.76 1.58 0.93 0.68 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  8.47 3.89 0.00 1.50 1.51 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.36 4.26 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.80 0.00 
  5     W  7.05 5.06 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  8.27 4.47 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.96 0.00 0.00 
  7     T  8.54 4.30 4.32 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 1.28 0.00 0.00 
  8     Q  8.49 4.22 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 
  9     L  8.46 4.17 0.00 1.64 1.60 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00