NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.0331 8.3149 119.9484 56.0455 33.9257 175.2719
  2     W  4.3925 8.3176 121.2021 55.6581 29.8750 174.9053
  3     K  4.2428 8.9454 121.1365 56.6513 32.9070 175.3306

  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 4.03 0.00 1.83 1.80 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.42 7.81 
  2     W  8.32 4.39 0.00 3.42 3.11 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  8.95 4.24 0.00 1.72 1.69 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.42 7.81