NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.2637 8.3349 116.7505 58.0562 64.2555 172.8160
  2     W  4.5433 8.3281 124.6916 54.8795 30.7670 174.0211
  3     Y  4.9828 8.6178 118.5652 56.3841 42.2511 174.3125
  4     S  4.8977 8.8716 117.6557 56.7205 64.9760 173.2933
  5     Y  4.9012 8.2954 126.6952 55.0327 39.3312 172.7017
  6     P  4.4153 0.0000   0.0000 61.3211 32.3704 175.0029
  7     P  4.3866 0.0000   0.0000 60.9327 32.6118 174.1026
  8     P  4.3089 0.0000   0.0000 63.3784 31.3533 176.9203
  9     Q  4.1863 8.6591 118.8422 56.5887 28.2146 176.0700
  10    R  4.5910 7.9318 116.3684 56.1212 31.1150 176.1438
  11    A  4.1187 8.3841 121.9596 54.3845 19.5801 179.2970
 *12    V  3.9283 7.5956 115.5449 61.0878 32.3990 177.1288

  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     S  8.33 4.26 0.00 3.72 3.58 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     W  8.33 4.54 0.00 3.21 3.04 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     Y  8.62 4.98 0.00 3.01 2.82 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 
  4     S  8.87 4.90 0.00 3.88 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 
  5     Y  8.30 4.90 0.00 2.89 2.77 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 
  6     P  0.00 4.42 0.00 2.24 2.07 0.00 4.06 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 
  7     P  0.00 4.39 0.00 2.13 1.98 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 
  8     P  0.00 4.31 0.00 2.29 2.24 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 
  9     Q  8.66 4.19 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.49 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 
  10    R  7.93 4.59 0.00 1.73 1.83 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 
  11    A  8.38 4.12 1.27 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 
 *12    V  7.60 3.93 2.08 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 0.70 0.00 0.00 0.93 0.00 0.00 


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