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. Author manuscript; available in PMC: 2021 Apr 14.
Published in final edited form as: Anal Chem. 2020 Jul 15;92(15):10412–10419. doi: 10.1021/acs.analchem.0c00768

Figure 5.

Figure 5.

Plots of the differences between the calculated and experimental 1H and 13C NMR chemical shifts of O-succinyl-L-homoserine. Shielding constants were computed at the B3LYP/6311G+(2d, p) level of theory and converted to linear scaled reference chemical shifts. Values of chemical shift differences are given in ppm.