NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2317 8.3149 119.9879 56.6378 33.9402 175.3353
  2     H  4.2706 8.5290 118.6836 54.7559 29.4890 173.9713
  3     K  4.1677 8.6652 122.0215 56.5900 33.2413 175.3133

  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     K  8.31 4.23 0.00 1.87 1.86 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.46 7.81 
  2     H  8.53 4.27 0.00 3.27 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     K  8.67 4.17 0.00 1.67 1.63 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81