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. Author manuscript; available in PMC: 2018 May 10.
Published in final edited form as: J Phys Chem B. 2017 Jun 7;121(24):5977–5987. doi: 10.1021/acs.jpcb.7b04689

Figure 10.

Figure 10

Backbone J-coupling constants along residues of Aβ42 dimer using the four force fields. The calculation is based on the Karplus relations of the type J(η) = A cos2(η + δ) + B cos2(η + δ) + C, where η denotes either the ϕ (for 3J) or the ψ (for 1J and 2J) backbone dihedral angle. The A, B, and C parameters and δ, the phase shift, are taken from refs 42 and 43.