NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2281 8.3449 119.6746 55.8143 30.0552 174.1419
  2     S  4.3572 8.1672 117.6023 55.9280 66.2905 171.7776
  3     Y  4.1792 8.6562 121.0730 57.6413 39.5750 176.3009
 *5     V  3.9211 8.0853 113.0978 61.9304 32.0602 175.8947

  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     Q  8.34 4.23 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 
  2     S  8.17 4.36 0.00 3.85 3.72 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     Y  8.66 4.18 0.00 3.03 2.95 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     V  8.09 3.92 2.10 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 0.69 0.00 0.00 0.95 0.00 0.00 


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