Chemical shielding anisotropies, Δσ, and isotropic chemical shifts δiso obtained from spectral simulations of experimental spectra of Figure 3.
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Initial estimates for Δσ and isotropic chemical shifts δiso were obtained from powder (non-oriented) or de-Paked (see text) spectra and were supplied to the simulation procedure together with estimates of line width and proportion of each phosphate according to sample composition. Calculated spectra were compared to experimental spectra and iterative changes were performed until the best fit was obtained. Accuracy is of 5–10% for large Δσ and up to 50% for smaller values. PI = PtdIns; PIP = PtdInsP, PIP2 = PtdInsP2.
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2015-12-02
