NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.3200 8.2649 123.5821 51.7757 19.9497 176.4202
  2     R  4.2434 8.2363 118.9463 54.3180 32.5744 173.5928
  3     T  4.5112 9.3445 109.5834 62.4423 69.4017 173.6014
 *5     Q  4.0947 9.3856 118.8390 55.8576 29.1416 174.8053

  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     A  8.26 4.32 1.27 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     R  8.24 4.24 0.00 1.90 1.87 0.00 3.15 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 
  3     T  9.34 4.51 4.24 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 1.21 0.00 0.00 
 *5     Q  9.39 4.09 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 


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