NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3789 8.3349 115.2899 57.5916 63.4998 173.5929
  2     L  4.0015 8.3453 127.3653 53.5574 42.1760 175.0863
  3     L  4.1647 8.3407 122.4246 55.4509 43.6201 175.8315
  4     M  4.0207 8.5476 124.9354 57.1088 32.8959 175.8344
  5     W  4.5470 8.0118 117.8445 55.4443 30.1055 175.9027
  6     I  4.5255 8.3507 123.8834 59.7274 39.1775 174.9319
  7     T  4.4355 8.4946 122.6924 61.9493 69.3448 174.9919
  8     Q  4.1290 8.6400 126.0022 56.0728 29.4673 176.3748
  9     C  4.3266 8.5576 115.0396 58.5758 29.8535 173.4208

  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 4.38 0.00 3.85 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  8.35 4.00 0.00 1.73 1.58 0.90 0.69 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  8.34 4.16 0.00 1.60 1.57 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.55 4.02 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.54 0.00 
  5     W  8.01 4.55 0.00 3.33 3.18 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  8.35 4.53 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.93 0.00 0.00 
  7     T  8.49 4.44 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  8.64 4.13 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 
  9     C  8.56 4.33 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