NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4385 8.2893 120.3487 55.6601 33.3343 174.0779
  2     Q  4.4237 8.0407 120.6891 52.8140 31.4897 173.1252
  3     S  4.0587 8.0646 113.3013 60.1555 64.5603 174.3120
 *5     P  4.1893 0.0000   0.0000 61.1618 32.3782 176.3962
  6     L  4.1682 8.2791 116.7600 55.1388 41.6091 177.2763

  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 4.44 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 
  2     Q  8.04 4.42 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 
  3     S  8.06 4.06 0.00 4.00 3.97 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 4.19 0.00 2.22 2.16 0.00 3.76 0.00 0.00 3.77 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  8.28 4.17 0.00 1.66 1.62 0.92 0.80 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.