Table 3.

EPR Simulation Parameters for Substrate-Bound Av ES-NO ${\left\{\text{FeNO}\right\}}^7(S=3/2)$ Species^a

	wild type	H157N	Y159F
3mpa-bound
D (cm−1)	10 ± 2	10 ± 2	10 ± 2
E/D	0.0080	0.0124	0.016
${\sigma }_{E/D}$	<0.001	0.002	0.005
${\sigma }_{\text{B}}$	0.9	0.9	0.9
% Fe	100	65	10
	wild type		Y159F
cys-bound
D (cm−1)	10 ± 2	10 ± 2	10 ± 2
E/D	0.008	0.055	0.020
${\sigma }_{E/D}$	<0.001		0.005
${\sigma }_{\text{B}}$	0.9	0.9	0.9
% Fe	31	13	10

^aThe effective g-values for each $(S=3/2)$ iron–nitrosyl species are labeled in Figure 5. The trace of the g tensor used for simulations (eq 5) was assumed to be isotropic $\left(g_1=g_2=g_3\sim 2.00\right)$.