Table 4.

Thermodynamic data extracted from CPMG data

Parametera/Regionb	Near His 35	Near copper
ΔH [kJ/mol]	−5.1 ± 3.6	−25.2 ± 4.7
ΔS [J/(mol•K)]	28.6 ± 11.9	−34.6 ± 14.8
TΔS [kJ/mol]c	9.1 ± 3.8	−11.0 ± 4.7
ΔHB [kJ/mol]	39.7 ± 5.1	32.0 ± 6.7
ΔSB [J/(mol•K)]	−53.6 ± 16.5	−88.4 ± 21.2
TΔSB [kJ/mol]c	−17.0 ± 5.2	−28.1 ± 6.7

^a Obtained from linear fits to the data shown in Figure 4 ▶ using the following equations: ln(k_eq) = ΔS/R − ΔH/RT and ln(k_B) = ln(K_bT/h) + ΔS_B/R − ΔH_B/RT, where T is the temperature, R is the universal gas constant, K_b is Boltzmann’s constant, h is Planck’s constant, ΔH and ΔS are enthalpy and entropy difference between ground and minor states, and ΔH_B and ΔS_B are enthalpy and entropy differences between transition and minor states. Note that the latter equation from transition theory is based on several assumptions and should thus be used only in a qualitative way.

^b Regions and their residues as defined in Table 2.

^c Values for T = 44.8°C.