Skip to main content
. Author manuscript; available in PMC: 2020 May 3.
Published in final edited form as: J Chem Theory Comput. 2019 Nov 4;15(12):6769–6780. doi: 10.1021/acs.jctc.9b00623

Figure 6.

Figure 6.

Secondary chemical shifts and backbone scalar coupling constants of simulation and experimental data for RS. Simulated and experimental secondary chemical shifts for (A) Cα and (B) C, backbone scalar coupling constants for (C) 3JHNHα, (D) 1JCαCβ and (E) 1JHαCα. Simulated values are shown for ff03 (red), ff03* (brown), ff03w (light green), ff03ws (cyan), ff03CMAP (blue), and ff03CMAP/T4D (violet). Experimental values are displayed as black lines. The shadow means the stand error of mean.