NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.3968 8.2893 120.3507 55.7078 33.3014 174.4711
  2     H  4.6750 8.6921 120.1584 53.4551 31.0315 172.9732
  3     R  4.2365 8.6351 118.5891 53.2451 32.2738 174.3437
  4     P  4.1831 0.0000   0.0000 63.0825 32.0551 176.4182
  5     Y  4.2262 8.4316 117.7714 58.4112 37.9032 175.5398

  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     M  8.29 4.40 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 
  2     H  8.69 4.67 0.00 3.32 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.64 4.24 0.00 1.59 1.73 0.00 3.32 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 
  4     P  0.00 4.18 0.00 2.00 2.03 0.00 3.53 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 
  5     Y  8.43 4.23 0.00 2.98 2.85 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