NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3911 8.3349 115.2896 57.7270 63.5209 173.6467
  2     L  4.0444 8.2930 127.3747 53.2354 42.2474 175.2152
  3     L  4.1408 8.4031 122.5577 55.6864 43.7724 175.9378
  4     M  4.0395 8.6855 123.1031 56.7190 33.1252 176.1732
  5     W  4.5700 8.0799 119.2636 55.2732 29.7050 175.5054
  6     I  4.5011 8.3357 124.6727 59.6786 38.6253 175.2413
  7     T  4.5726 8.3297 122.0249 61.6632 69.9158 174.8587
  8     Q  4.1593 8.5561 125.2342 56.0132 29.4994 176.3003
  9     C  4.3244 8.5317 114.6925 58.5953 29.8698 173.4500

  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 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     L  8.29 4.04 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  8.40 4.14 0.00 1.60 1.58 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.69 4.04 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.54 0.00 
  5     W  8.08 4.57 0.00 3.32 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  8.34 4.50 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 1.41 0.46 0.93 0.00 0.00 
  7     T  8.33 4.57 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  8.56 4.16 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 
  9     C  8.53 4.32 0.00 3.09 2.92 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