Table 4.
Characteristics of hyperfine tensors of the protons H1A-H3A (MHz) derived from experimental HYSCORE spectra of the QA SQ.a,b
| Proton(s) | a, T | A⊥=a–T | A||=a+2T |
|---|---|---|---|
| H1A (ridges 1A,3A) | −1.38±0.1, 5.41±0.17 | −6.8 | 9.6 |
| H2A (ridges 1A,2A) | −0.17±0.2, 5.07±0.35 | −5.2 | 10 |
| H3A (ridge 4A) | 4.39±0.3, 1.71±0.5 | 2.7 | 7.8 |
| H3A (ridge 4A)c | 4.0±0.3, 1.6±0.5 | 2.4 | 7.2 |
a
The subscript A indicates tensor assignments, and the corresponding protons, from experimental HYSCORE spectra of the QA semiquinone, in contrast to the ENDOR-derived tensors for H1 and H2 in Tables 1 and 2;
b
errors for a and T correspond to 95% prediction intervals for the linear regression results shown in Table S2;
c
sample in 2H2O.