DNP-enhanced solid-state NMR spectra of FUS-LC and selectively labeled FUS 61-214, and simulations of solid-state NMR crosspeaks using torsion angles derived from MD trajectories

DNP-enhanced solid-state magic angle spinning NMR spectra acquired at 25 K on solutions of FUS-LC and FUS 61-214, rapidly frozen from high above temperature of droplet formation (high temperature) and from well below the temperature of droplet formation (low temperature). Spectra are in nmrPipe format. Phi and psi torsion angles for all G, Q, S, T, and Y in residues 1-163 of FUS, extracted from a 100 ns MD trajectory (Mukherjee, S and Schafer, L, Nature Communications 14, 5892, 2023, https://doi.org/10.1038/s41467-023-41586-y). Chemical shifts predicted by Sparta+ for G, Q, S, T, Y residues. NCa, CaCb, and COCa crosspeaks simulated using calculated chemical shifts, and using Ramachandran plot-derived population-weighted chemical shifts. See README.txt for additional details.