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(a) 3J(HNHCα)-coupling constants of WT α-synuclein from experiment (blue)115 and simulation (red). (b) Chemical shifts of α-carbons (Cα), amide nitrogens (N), hydrogen atoms attached to α-carbons (H), and carbonyl carbons (C) of WT α-synuclein from NMR (blue)114 and simulation (red). The x-axis giving residue numbers is also shown as a chain of blue, gold, pink, and red bars as defined in Fig. 1.
