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. Author manuscript; available in PMC: 2019 Nov 21.
Published in final edited form as: J Phys Chem B. 2018 Nov 8;122(46):10455–10469. doi: 10.1021/acs.jpcb.8b09029

Figure 3.

Figure 3.

Summarization of τ2 values derived from cumulative averages of ΔδCα and 3JHNHα-coupling constants for apo Rev. Boxplots depict median, range, quartiles, outliers, and averages (red box). (A) Details only ff14SB-parameterized simulations of ΔδCα-derived τ2 values. (B) Details only ff14IDPSFF-parameterized simulations of ΔδCα-derived τ2 values. (C) Only ff14SB-parameterized simulations of 3JHNHα-coupling-derived τ2 values are shown. (D) Details only ff14IDPSFF-parameterized simulations of 3JHNHα-coupling-derived τ2 values.