NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3955 8.3344 116.7999 58.4673 64.2217 173.1120
  2     I  4.1309 8.0710 124.4229 58.6857 39.6579 174.9183
  3     Y  4.5694 8.2966 122.8143 57.6743 39.8493 175.2562
  4     R  4.5854 6.2332 112.2187 60.0142 30.2740 174.7319
  5     Y  4.0821 5.8870 115.2311 55.0700 40.3399 175.5194
  6     Y  4.8537 8.4076 122.9302 55.1428 41.6725 175.5580
  7     G  3.6749 7.7627 113.9945 45.6825  0.0000 173.3780
  8     L  4.1519 8.1028 118.0048 54.8020 41.7794 177.1750

  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 3.90 3.90 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     I  8.07 4.13 1.98 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.14 1.01 0.00 0.00 
  3     Y  8.30 4.57 0.00 2.53 2.25 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 
  4     R  6.23 4.59 0.00 1.59 1.41 0.00 3.28 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 
  5     Y  5.89 4.08 0.00 2.99 2.95 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     Y  8.41 4.85 0.00 2.81 2.87 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 
  7     G  7.76 3.67 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 0.00 0.00 0.00 
  8     L  8.10 4.15 0.00 1.60 1.56 0.90 0.83 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