SH parameters corresponding to the different coordination modes of various Cu<sup>2+</sup>/Aβx–16 complexes.
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aAll hyperfine parameters are expressed in units of Ai [10−4cm−1] = Ai [MHz]/2.9979 = Ai [G] × 104(giβe/hc), where i = || or ⊥, h is Plank's constant, c = 2.9979 ×1010cm.s−1 and βe = 9.274×10−28 J.G−1. gTo aid comparison with other work in which natural abundance copper (69% 63Cu, 31% 65Cu) has been used, hyperfine couplings have been converted from 65Cu to those expected for 63Cu using the scaling factor |gn(65Cu)/gn(63Cu)| = 1.07. Uncertainties in parameters represent the estimated range. cSH parameters from simulation of wt peptide [15]. d{NH2D1, NamA2, COA2, NImH6} coordination has also been proposed [17]. eParameters based upon simulation of Cu2+/Aβ3[pE]–16 at pH 6.9. fParameters based upon simulation of Cu2+/Aβ3–16 at pH 8.5. gn.d. = not determined.
