NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Y  4.6337 8.1449 118.8228 57.0006 39.2543 175.1318
  2     C  4.6357 8.6680 116.6699 55.4587 42.6246 171.1414
  3     K  4.0774 8.5368 119.8607 56.5929 35.0519 175.1555
 *5     F  4.5635 8.2489 116.0614 58.0118 41.5976 176.5537
 *8     T  4.3013 7.1820 114.6597 61.0832 67.5423 174.0979
  9     F  4.2205 8.7550 123.4777 57.9365 39.6490 174.0712
  10    K  4.6947 6.1178 120.9098 54.5320 34.7097 176.5690
  11    S  4.7730 8.4494 118.1581 57.9323 63.0782 173.0200
  12    C  4.4518 8.2130 123.7952 56.5240 44.3911 172.7146

  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     Y  8.14 4.63 0.00 3.00 3.08 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     C  8.67 4.64 0.00 3.06 3.03 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 
  3     K  8.54 4.08 0.00 1.38 1.75 0.00 1.06 0.00 0.00 1.39 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 0.88 7.81 
 *5     F  8.25 4.56 0.00 3.06 3.22 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 
 *8     T  7.18 4.30 4.29 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 1.25 0.00 0.00 
  9     F  8.75 4.22 0.00 2.74 2.53 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 
  10    K  6.12 4.69 0.00 1.38 1.45 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.22 7.81 
  11    S  8.45 4.77 0.00 4.19 3.86 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 
  12    C  8.21 4.45 0.00 2.93 2.92 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 


* Residues marked with a * may have inaccurate shift predictions.