Figure 1.

Summary of τ₂ values (medians, ranges, quartiles, outliers) for peptides of EGAAXAASS (X=D, E, H, K, L, P, Q, W, Y), derived from ΔΔδC^α calculations. Simulations are labeled by peptide and force field: (A) ff14SB and (B) ff14IDPSFF. Diamonds indicate outliers and a red box denotes the average τ₂ value. Fitted plots from which boxplots were derived can be found in the SI (Figure S6–S7).