NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.2824 8.2549 120.8625 56.1145 31.2255 175.3269
  2     M  4.1840 8.4606 124.7217 53.7560 31.9570 175.2072
  3     F  4.4108 9.4939 124.2655 57.9065 41.0760 174.3256
  4     P  4.2808 0.0000   0.0000 64.6105 31.3991 176.4492
  5     N  4.8213 6.5101 110.2625 51.0269 41.6904 173.6299
  6     A  4.6139 8.2221 124.3052 49.5027 19.9549 175.3086
  7     P  4.2930 0.0000   0.0000 62.8501 31.9884 176.1595
  8     Y  4.2456 8.3206 120.2233 58.0000 38.4143 176.3045
  9     L  4.2230 8.6964 123.0891 55.2208 41.6847 176.9634

  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     R  8.25 4.28 0.00 1.78 1.93 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 
  2     M  8.46 4.18 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 
  3     F  9.49 4.41 0.00 3.00 2.96 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     P  0.00 4.28 0.00 1.63 1.88 0.00 2.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 
  5     N  6.51 4.82 0.00 2.52 2.57 0.00 0.00 6.88 7.23 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     A  8.22 4.61 1.18 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 0.00 0.00 
  7     P  0.00 4.29 0.00 2.23 2.13 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 
  8     Y  8.32 4.25 0.00 3.05 2.91 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 
  9     L  8.70 4.22 0.00 1.70 1.63 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00