NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4432 8.3044 120.3487 55.5429 33.4284 174.2163
  2     Q  4.3266 8.1083 122.7049 53.2783 31.6238 172.4072
  3     S  4.0047 7.8202 118.7669 59.8249 63.9972 172.0642
 *5     P  4.2229 0.0000   0.0000 62.0934 32.6820 176.7812
  6     L  4.1565 8.3072 117.1908 55.1920 41.5378 177.3122

  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  8.30 4.44 0.00 1.99 2.03 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 2.48 2.54 0.00 
  2     Q  8.11 4.33 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 
  3     S  7.82 4.00 0.00 3.87 3.73 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 4.22 0.00 2.24 2.09 0.00 3.82 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  8.31 4.16 0.00 1.66 1.62 0.92 0.81 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.