NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     D  4.6531 8.3649 120.3306 53.6088 40.5170 174.4830
  2     L  4.2627 8.4034 117.6204 54.4407 42.3643 175.0818
  3     Y  3.6286 7.7855 119.7663 57.4827 40.1212 174.1804
  4     C  4.4421 7.4822 125.9652 58.1062 33.2066 174.1101
  5     Y  4.7418 8.2912 127.0535 56.5463 36.5503 174.5074
  6     E  4.8541 7.6327 118.9107 54.5602 34.3166 175.4074
  7     Q  4.4901 8.3711 119.0064 53.8335 31.6099 175.8427
  8     L  4.1339 8.7025 123.1672 55.3896 40.3858 176.8483
  9     N  4.0048 8.2952 119.9233 53.5720 36.5795 174.9406

  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     D  8.36 4.65 0.00 2.88 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 
  2     L  8.40 4.26 0.00 1.74 1.72 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 
  3     Y  7.79 3.63 0.00 3.02 2.38 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     C  7.48 4.44 0.00 2.76 2.52 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 
  5     Y  8.29 4.74 0.00 3.10 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 
  6     E  7.63 4.85 0.00 1.89 1.80 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 2.24 2.35 0.00 
  7     Q  8.37 4.49 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.25 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 
  8     L  8.70 4.13 0.00 1.63 1.66 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 
  9     N  8.30 4.00 0.00 2.80 2.75 0.00 0.00 6.14 7.56 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