NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.4404 8.4549 120.5170 56.3473 44.0264 172.9211
  2     Y  4.2724 7.8749 124.5054 56.7779 41.1951 174.9801
  3     F  3.8868 7.9767 124.3559 57.8231 37.5223 174.1698
  4     Q  4.5645 7.3066 113.9492 55.7395 30.6828 173.0671
  5     N  4.6640 8.6961 116.8193 53.1278 39.4384 175.6301
  6     C  4.8975 8.1806 118.6297 54.7245 44.4157 172.1776
  7     P  4.5656 0.0000   0.0000 63.1635 31.5632 175.9484
  8     R  4.5265 8.1989 116.3439 56.1638 30.7601 176.9761
  9     G  3.7263 8.0559 112.2878 45.8795  0.0000 174.4232

  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 4.44 0.00 2.75 2.77 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 
  2     Y  7.87 4.27 0.00 3.10 2.65 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     F  7.98 3.89 0.00 3.25 3.12 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  7.31 4.56 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 
  5     N  8.70 4.66 0.00 2.73 2.78 0.00 0.00 6.73 7.66 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  8.18 4.90 0.00 2.84 2.88 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 4.57 0.00 2.15 2.03 0.00 3.72 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 1.97 0.00 
  8     R  8.20 4.53 0.00 1.78 1.93 0.00 3.16 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 
  9     G  8.06 3.73 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