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. 2021 May 3;60(10):7399–7412. doi: 10.1021/acs.inorgchem.1c00640

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