NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3096 8.2649 123.5821 51.5179 18.7520 176.4090
  2     S  4.1011 8.4405 117.1936 59.2291 63.5323 172.8158
  3     K  4.6562 9.0853 122.8307 54.2005 35.3963 173.9694
  4     P  4.8187 0.0000   0.0000 61.5108 32.8866 176.1974
  5     K  4.1216 8.2419 119.2820 57.4716 32.1421 175.6545

  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  8.26 4.31 1.29 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     S  8.44 4.10 0.00 3.95 3.83 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     K  9.09 4.66 0.00 1.71 1.69 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.42 7.81 
  4     P  0.00 4.82 0.00 2.03 1.96 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 
  5     K  8.24 4.12 0.00 1.81 1.71 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.43 7.81