NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.8772 8.3393 109.7363 45.8743  0.0000 172.5355
  2     H  4.5718 8.4368 115.3514 53.2974 30.6432 173.1755
  3     R  4.2597 8.6745 118.6404 53.1925 32.0620 174.9006
  4     P  4.2143 0.0000   0.0000 62.7893 32.1115 176.5065
  5     Y  4.5134 8.1999 116.7687 58.5557 37.8997 175.7160

  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     G  8.34 3.88 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 0.00 
  2     H  8.44 4.57 0.00 3.27 3.26 0.00 5.47 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  8.67 4.26 0.00 1.66 1.80 0.00 3.33 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 
  4     P  0.00 4.21 0.00 2.00 2.01 0.00 3.53 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 
  5     Y  8.20 4.51 0.00 3.02 2.80 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