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Description
Ligand responsive shifts suggest that the deoxyadenosyl moiety in coenzyme B12 has a steric trans influence
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The transition state searches were carried out using B3LYP/6-31 G** for C79, C26, and C83 and B3LYP/6-31 G* + for C23 and C8, as this protocol reliably locates transition states (verified by a single imaginary frequency obtained for each transition state see Supplementary Table 9)
