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. Author manuscript; available in PMC: 2019 Aug 14.
Published in final edited form as: Biochemistry. 2018 Jul 27;57(32):4788–4802. doi: 10.1021/acs.biochem.8b00542

Table 1.

Residues involved in optimization in the QM calculations.

Protein Residues
wt MbII–NO Leu29, Phe43, His64, Val68, His93, Ile107
H64A MbII–NO Leu29, Phe43, Ala64, Thr67, Val68, His93, Ile107
H64Q MbII–NO Leu29, Phe43, Gln64, Val68, His93, Ile107
V68A/I107Y MbII–NO Leu29, Phe43, His64, Ala68, His93, Tyr107