NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.2686 8.4549 115.4133 54.8397 40.9111 172.8460
  2     Y  4.1073 7.8695 118.0758 56.6437 38.1519 175.0742
  3     I  3.6513 9.5730 127.0365 64.4202 39.2626 177.1518
  4     Q  4.0995 8.3266 117.7300 58.2657 28.6178 176.7506
  5     N  5.1974 8.3622 113.8681 52.5465 38.6727 176.4236
  6     C  4.8068 7.6486 118.1600 57.3073 39.3607 173.1723
  7     P  4.4781 0.0000   0.0000 62.9339 30.7504 175.3010
  8     L  3.7081 7.5734 120.4554 55.4697 40.0739 174.6353
  9     G  3.7651 8.0760 114.1983 46.2299  0.0000 173.0785

  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     C  8.45 4.27 0.00 3.00 3.07 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     Y  7.87 4.11 0.00 3.41 3.19 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 
  3     I  9.57 3.65 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.96 0.00 0.00 
  4     Q  8.33 4.10 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.24 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 
  5     N  8.36 5.20 0.00 2.77 2.89 0.00 0.00 7.05 7.41 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     C  7.65 4.81 0.00 3.02 2.83 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 
  7     P  0.00 4.48 0.00 2.03 2.06 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 
  8     L  7.57 3.71 0.00 1.81 1.71 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 
  9     G  8.08 3.77 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