NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     H  4.6911 8.4449 117.8062 56.0840 30.0985 171.5609
  3     H  4.7297 8.1785 116.8067 53.6132 32.6689 171.5504
  4     A  4.4226 9.1779 125.5757 51.6349 20.6178 176.3495
  5     S  4.7239 8.1835 115.2249 56.4984 64.3188 172.7447
  6     P  4.3157 0.0000   0.0000 61.8957 32.7398 175.8682
  7     R  4.4051 7.5911 114.8262 57.3173 31.2834 175.0096
  8     K  3.9829 8.4661 118.4854 57.8321 32.1450 175.5788

  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   
  2     H  8.44 4.69 0.00 3.14 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     H  8.18 4.73 0.00 3.18 3.15 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     A  9.18 4.42 1.26 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 
  5     S  8.18 4.72 0.00 3.86 3.80 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 0.00 0.00 0.00 
  6     P  0.00 4.32 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 
  7     R  7.59 4.41 0.00 1.86 1.89 0.00 3.21 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 
  8     K  8.47 3.98 0.00 1.67 1.64 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.32 7.81