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Strong coupling effects during <Emphasis Type="Italic">X</Emphasis>-pulse CPMG experiments recorded on heteronuclear <Emphasis Type="Italic">ABX</Emphasis> spin systems: artifacts and a simple solution
Authors:Pramodh Vallurupalli  Lincoln Scott  James R Williamson  Lewis E Kay
Institution:(1) Departments of Medical Genetics, Biochemistry and Chemistry, The University of Toronto, Toronto, ON, Canada, M5S 1A8;(2) Departments of Molecular Biology and Chemistry, The Skaggs Institute for Chemical Biology, The Scripps Research Institute, North Torrey Pines Road, La Jolla, CA 92037, USA
Abstract:Simulation and experiment have been used to establish that significant artifacts can be generated in X-pulse CPMG relaxation dispersion experiments recorded on heteronuclear ABX spin-systems, such as 13C i 13C j 1H, where 13C i and 13C j are strongly coupled. A qualitative explanation of the origin of these artifacts is presented along with a simple method to significantly reduce them. An application to the measurement of 1H CPMG relaxation dispersion profiles in an HIV-2 TAR RNA molecule where all ribose sugars are protonated at the 2′ position, deuterated at all other sugar positions and 13C labeled at all sugar carbons is presented to illustrate the problems that strong 13C–13C coupling introduces and a simple solution is proposed.
Keywords:Strong scalar coupling            1H CPMG relaxation dispersion  Spin-lock            ABX heteronuclear spin-system  RNA
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