NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.5371 8.2549 119.7496 55.6333 32.5116 175.9152
  2     R  4.3506 7.6784 115.9891 55.1352 32.0003 173.0231
  3     Y  4.6013 8.4042 115.1653 58.0666 43.4619 177.1657
  4     Y  3.4454 7.8948 117.7445 57.3835 41.6964 174.4136
  5     R  4.3718 8.0682 117.1341 55.2654 32.1656 175.4021
  6     F  4.4785 8.2100 121.5215 58.0365 40.1386 174.9715

  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     R  8.25 4.54 0.00 1.99 2.06 0.00 3.17 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 
  2     R  7.68 4.35 0.00 1.33 1.43 0.00 3.15 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 
  3     Y  8.40 4.60 0.00 3.17 2.98 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 
  4     Y  7.89 3.45 0.00 3.09 3.26 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 
  5     R  8.07 4.37 0.00 0.87 1.21 0.00 2.69 0.00 0.00 2.85 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 
  6     F  8.21 4.48 0.00 3.15 2.93 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