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Combined EPR and DFT model for the hydrogen bond network around NH2Y730• in α2. Left (side view): distances and out-of-plane angles of the hydrogen bonds and to WAT1 within the optimized DFT model 4. Right: top view. Inset: Location of the g tensor within the NH2Y• structure. The direction of the hyperfine tensor component Az of the three hydrogen/deuteron couplings is also schematically drawn.
