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As the Lorentzian HWHM parameter γ is increased, the predicted FTIR linewidth begins to match experiment, but the predicted tilt in the 2DIR peaks is qualitatively incorrect. The spectra are for bovine pancreatic trypsin inhibitor (BPTI) calculated using the heuristic site-energy model from the PDB structure 1BPI (51). Twenty-one evenly spaced contours are plotted from ±50% of the maximum for each spectrum.
