NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     A  4.2683 8.2649 123.5821 52.1974 19.2226 176.0031
  2     R  4.2877 8.2359 120.9907 53.8878 33.0990 174.6253
 *5     Q  4.0670 8.5679 117.7853 56.5933 30.0985 174.2413

  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 4.27 1.28 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 4.29 0.00 1.86 1.85 0.00 3.24 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 
 *5     Q  8.57 4.07 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 


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