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Figure 5
Structures of 3-iodotyrosine (left) and 3,5-diiodotyrosine (right) with parameters of the refined simulations of Figs. 7(d) and 7(e)[link], respectively; all atoms were included in multiple-scattering units whose occupancies refined to 1.2 and 1.0, respectively. Distances in Å, Debye–Waller-type factors quoted as 2σ2 in Å2 in parentheses. 3-Iodotyrosine: energy range, 18–600 eV; ΔEF, −4.137 eV; fit index (k3-weighting), 0.1785. 3,5-Diiodotyrosine: energy range, 18–600 eV; ΔEF, −0.367 eV; fit index (k3-weighting), 0.1718.

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