NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.4580 8.3293 120.8380 59.1902 32.4982 176.2669
  2     D  4.6302 8.7296 117.0972 50.4144 41.9012 172.6780
 *4     A  4.1950 8.8875 122.6966 52.5019 20.3618 176.3492
  5     N  5.1444 8.2855 115.2560 52.3026 42.7819 174.0152
  6     F  5.0165 7.6836 113.0948 55.4052 40.8480 174.5965
  7     K  4.1186 8.7243 120.0564 56.9010 31.9373 177.1600

  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     C  8.33 4.46 0.00 2.95 2.07 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     D  8.73 4.63 0.00 2.84 2.63 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     A  8.89 4.20 1.34 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 
  5     N  8.29 5.14 0.00 2.68 2.64 0.00 0.00 6.70 7.45 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     F  7.68 5.02 0.00 3.08 2.94 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 
  7     K  8.72 4.12 0.00 1.84 1.79 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 


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