Table 2. SH parameters corresponding to the different coordination modes of various Cu2+/Aβx–16 complexes.

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. b To 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. c SH parameters from simulation of wt peptide [15]. d {NH2D1, NamA2, COA2, NImH6} coordination has also been proposed [17]. e Parameters based upon simulation of Cu2+/Aβ3[pE]–16 at pH 6.9. f Parameters based upon simulation of Cu2+/Aβ3–16 at pH 8.5. g n.d. = not determined.