Table 10. Decomposition Analysis for the Cys112 β-Proton Hyperfine Coupling Constants.
HA | Amin | Amid | Amax | HB | Amin | Amid | Amax |
---|---|---|---|---|---|---|---|
1-center | 0.03 | –0.06 | 0.04 | 1-center | 0.04 | –0.06 | 0.02 |
2-center pc | 1.64 | 1.98 | –3.62 | 2-center pc | 2.04 | 2.27 | –4.32 |
2-center bond | 0.37 | –0.50 | 0.13 | 2-center bond | 0.41 | –0.52 | 0.10 |
3-center | –0.63 | –0.51 | 1.15 | 3-center | –0.64 | –0.59 | 1.22 |
total | 1.40 | 0.91 | –2.31 | total | 1.86 | 1.11 | –2.96 |