NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3879 8.3349 115.2886 57.6513 63.2796 173.6392
  2     L  3.9985 8.3375 127.8657 53.2126 42.1984 175.2952
  3     L  4.0370 8.4676 122.7130 55.9536 43.4412 176.3570
  4     M  3.9128 8.4657 123.1958 56.0459 32.9001 176.0092
  5     W  4.8012 7.9012 118.6190 54.6123 30.5917 175.0052
  6     I  4.5338 8.4102 117.0951 59.1794 38.8971 175.1385
  7     T  4.3797 8.4197 122.2476 62.3937 69.4657 174.9163
  8     Q  4.2559 8.3945 124.2567 55.8096 29.6492 176.7312
  9     V  3.8698 8.1669 112.0210 61.8290 31.7255 176.4328

  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  8.34 4.00 0.00 1.72 1.56 0.90 0.71 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  8.47 4.04 0.00 1.59 1.58 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.47 3.91 0.00 1.25 1.76 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.52 0.00 
  5     W  7.90 4.80 0.00 3.33 3.11 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  8.41 4.53 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 1.45 0.96 0.94 0.00 0.00 
  7     T  8.42 4.38 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  8.39 4.26 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 
  9     V  8.17 3.87 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 0.67 0.00 0.00 0.94 0.00 0.00