NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.2392 8.3349 116.7475 58.0276 64.2355 172.7367
  2     W  4.5788 8.3315 124.8984 54.8188 30.7157 173.9458
  3     Y  5.0784 8.6592 118.9668 56.3363 42.3125 174.3510
  4     S  4.8558 8.7939 116.2812 56.7994 65.3590 173.4686
  5     Y  4.8896 8.3407 126.6885 55.0638 39.3141 172.7562
  6     P  4.4256 0.0000   0.0000 61.4001 32.3537 174.9542
  7     P  4.4120 0.0000   0.0000 60.7625 32.4904 173.9757
  8     P  4.1991 0.0000   0.0000 63.3366 31.1150 176.9038
  9     Q  4.2009 8.4814 119.7178 55.4140 27.1606 175.7169
  10    R  3.7699 8.5308 122.5376 59.0273 30.5340 176.8319
 *11    A  4.1104 7.8815 123.6344 52.3333 18.8699 175.9749

  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 4.24 0.00 3.67 3.54 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 4.58 0.00 3.21 3.03 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  8.66 5.08 0.00 3.02 2.80 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 
  4     S  8.79 4.86 0.00 3.87 3.79 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  8.34 4.89 0.00 2.85 2.79 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 4.43 0.00 2.24 2.07 0.00 4.04 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 2.10 2.02 0.00 
  7     P  0.00 4.41 0.00 2.13 1.97 0.00 3.75 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 1.93 1.89 0.00 
  8     P  0.00 4.20 0.00 2.19 2.13 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 
  9     Q  8.48 4.20 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 
  10    R  8.53 3.77 0.00 1.79 2.03 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 
 *11    A  7.88 4.11 1.23 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 


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