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. 2016 Apr 25;6:24826. doi: 10.1038/srep24826

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Copyright © 2016, Macmillan Publishers Limited

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(a) Schematic showing the definition of the exchange rate and frequency differences for a two-state protein-ligand interaction. (b) Simulated ¹H, ¹⁵N-HSQC spectra for a protein-ligand interaction (700 MHz, 1 mM protein concentration, K_d 2 μM, Δω^H 4400 s⁻¹, Δω^N 220 s⁻¹) illustrating two-dimensional lineshapes that may arise under various exchange regimes. Contour levels are constant across all spectra. (c,d) ¹H and ¹⁵N projections of HSQC spectra shown in Fig. 1b, normalised by integration. (e) Outline of the data acquisition process and the two-dimensional lineshape analysis procedure. ROIs, regions of interest.