Datasets of the article "QM calculations predict the energetics and infrared spectra of transient glutamine isomers in LOV photoreceptors"

Experimental time-resolved infrared spectra (light-minus-dark absorption difference) of EL222-WT in deuterated buffer (DATA), and evolution-associated difference spectra (EADS) arising from global kinetic analysis using a 3-components sequential model: singlet (1FMN*), triplet (3FMN*) and adduct (A390). These are the data used to prepare panels a) and c) of Figure 4 from the paper:

Andrikopoulos, P. C.; Chaudhari, A.S.; Liu, Y.; Konold, P.E.; Kennis, J.T.M.; Schneider, B.; Fuertes, G. QM Calculations Predict the Energetics and Infrared Spectra of Transient Glutamine Isomers in LOV Photoreceptors. Phys. Chem. Chem. Phys., 2021, 23, 13934-13950. https://doi.org/10.1039/d1cp00447f.