NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.8919 8.3393 109.7394 45.7232  0.0000 173.1268
  2     H  4.6737 8.5639 118.9540 53.1585 31.1165 172.2418
  3     R  4.1757 8.7811 118.8220 53.8788 33.0165 174.7314
  4     P  4.3179 0.0000   0.0000 63.0202 31.9902 176.3938
  5     Y  4.2831 8.4473 115.4889 58.3514 38.2567 176.0905

  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 3.89 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  8.56 4.67 0.00 3.33 3.31 0.00 5.49 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     R  8.78 4.18 0.00 1.56 1.67 0.00 3.29 0.00 0.00 3.11 7.28 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 4.32 0.00 1.99 2.05 0.00 3.50 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 
  5     Y  8.45 4.28 0.00 2.89 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