NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.5046 8.2893 120.3265 55.4424 33.3964 174.2674
  2     Q  4.4156 8.0745 118.1701 52.5944 31.2541 172.7634
  3     S  4.0798 7.8799 113.7844 60.0111 64.7518 173.7733
 *5     P  4.1967 0.0000   0.0000 61.0415 32.4986 176.5660
  6     L  4.1528 8.3294 117.3405 55.2269 41.5085 177.3150

  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     M  8.29 4.50 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 
  2     Q  8.07 4.42 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.08 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 
  3     S  7.88 4.08 0.00 4.00 3.93 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 
 *5     P  0.00 4.20 0.00 2.22 2.14 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 
  6     L  8.33 4.15 0.00 1.66 1.63 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 


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