NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3519 8.2493 123.5856 51.4082 20.5915 176.8779
  2     I  3.8889 7.5409 110.1315 59.1039 38.5070 174.8770
  3     F  4.5672 8.6316 124.8380 58.9556 40.6400 175.7391
  4     Q  4.4234 7.8071 121.6218 55.6856 29.3049 175.6216
  5     S  4.4065 5.8100 112.5728 57.9847 63.8692 174.5602
  6     S  4.5237 7.5644 114.2520 58.4730 63.9238 173.8641
  7     M  4.4647 8.3363 122.9244 54.0666 33.4635 175.8834
  8     T  4.2311 8.0396 110.2595 61.0089 69.9799 174.9781
  9     K  4.1574 8.5194 121.6168 56.9636 32.0413 176.9780

  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     A  8.25 4.35 1.32 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 
  2     I  7.54 3.89 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.94 0.00 0.00 
  3     F  8.63 4.57 0.00 2.88 3.04 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     Q  7.81 4.42 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.30 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 
  5     S  5.81 4.41 0.00 3.51 3.68 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     S  7.56 4.52 0.00 4.08 4.01 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     M  8.34 4.46 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 
  8     T  8.04 4.23 4.24 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 1.21 0.00 0.00 
  9     K  8.52 4.16 0.00 1.76 1.78 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81