NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     N  4.7831 8.4249 118.1185 52.5640 40.8485 174.1737
  2     I  4.4919 7.4207 117.9977 58.9609 40.7095 174.3505
  3     F  4.1281 9.1260 121.1738 57.6299 39.9046 175.4523

  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     N  8.42 4.78 0.00 2.72 2.96 0.00 0.00 6.71 6.57 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     I  7.42 4.49 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.92 0.00 0.00 
  3     F  9.13 4.13 0.00 3.03 2.99 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