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. Author manuscript; available in PMC: 2018 Nov 15.
Published in final edited form as: J Phys Chem B. 2017 Jul 5;121(28):6831–6840. doi: 10.1021/acs.jpcb.7b04562

Table 1.

Activation Free Energies (kcal/mol) for Different Systemsa

total barrier
system ΔG(cal) ΔG(obs)
waterb 24.9 26.0
WT 18.3 18.0
R155K 18.3
R155Q. 17.8 18.9
A156T 19.0 17.8
D168Ac 18.2 18.3
D168V 18.5 17.9
a

Observed values taken from ref 54

b

Observed value taken from ref 38

c

Observed value taken from ref 55.