NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.7959 8.3549 109.7364 45.3060  0.0000 172.6984
 *3     R  4.0886 8.0947 117.0517 54.9469 31.1153 174.3171
  4     P  4.4095 0.0000   0.0000 63.3136 31.3124 176.2533

  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     G  8.35 3.80 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 0.00 
 *3     R  8.09 4.09 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 
  4     P  0.00 4.41 0.00 2.03 2.00 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 


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