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. Author manuscript; available in PMC: 2018 Apr 30.
Published in final edited form as: Biochemistry. 2017 Nov 21;56(48):6368–6376. doi: 10.1021/acs.biochem.7b01027

Figure 5.

Figure 5

Calculated KIEs at specific C–O and C–N bond lengths generated from Gaussian 09 and ISOEFF98 for (A) 1-14C and (B) 1-3H. The black line represents the experimentally measured intrinsic KIEs, and the dashed red lines represent the upper and lower margins of error, respectively, for the experimentally measured values.