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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 10.

Figure 10.

Comparison of force field and simulation types of apo Rev to experimental results. Colors are labeled according to experiment (green), short simulations (black), and long simulations (purple) and an asterisk (*) denotes non-native residues. (A) Comparison of short and long ff14SB-derived secondary chemical shifts with experiment.31 (B) Comparison of short and long ff14IDPSFF-derived secondary chemical shifts to experiment.31 (C) Comparison of short and long ff14SB-derived J-coupling constants with experiment.31 (D) Comparison of short and long ff14IDPSFF-derived J-coupling constants with experiment.31