NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  547   L  4.1585 8.1849 120.6200 54.8678 43.0667 175.5487
  548   H  4.7164 8.2699 117.6646 51.5545 29.8318 173.1179
  549   P  4.2599 0.0000   0.0000 62.7868 32.5770 174.9170
  550   N  4.6741 8.5375 120.3946 51.8185 39.2845 173.1682
  551   P  4.4205 0.0000   0.0000 65.7908 31.5638 178.4129
  552   M  4.1928 8.3600 120.9974 56.1611 30.8577 178.2812
 *554   Q  4.3348 8.1070 114.9780 54.4786 30.4111 177.9502
  555   R  4.2905 7.6717 122.3530 57.3554 30.2500 176.1442

  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   
  547   L  8.18 4.16 0.00 1.63 1.64 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 
  548   H  8.27 4.72 0.00 3.21 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  549   P  0.00 4.26 0.00 2.18 2.07 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 
  550   N  8.54 4.67 0.00 2.69 2.78 0.00 0.00 7.11 7.69 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 
  551   P  0.00 4.42 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 
  552   M  8.36 4.19 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 
 *554   Q  8.11 4.33 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 6.87 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 
  555   R  7.67 4.29 0.00 1.93 1.85 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 


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