1H, 13C and 15N chemical shift referencing in biomolecular NMR |
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| Authors: | David S. Wishart Colin G. Bigam Jian Yao Frits Abildgaard H. Jane Dyson Eric Oldfield John L. Markley Brian D. Sykes |
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| Affiliation: | (1) Protein Engineering Network of Centres of Excellence, Department of Biochemistry, University of Alberta, T6G 2S2 Edmonton, AB, Canada;(2) Department of Molecular Biology, The Scripps Research Institute, 10666 North Torrey Pines Road, 92037 La Jolla, CA, U.S.A.;(3) National Magnetic Resonance Facility at Madison, Department of Biochemistry, University of Wisconsin at Madison, 420 Henry Mall, 53706-1569 Madison, WI, U.S.A.;(4) Department of Chemistry, University of Illinois at Urbana-Champaign, 505 South Mathews Avenue, 61801 Urbana, IL, U.S.A. |
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| Abstract: | Summary A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here.Abbreviations TMS tetramethylsilane - TSP 3-(trimethylsilyl)-propionate, sodium salt - DSS 2,2-dimethyl-2-silapentane-5-sulfonate, sodium salt - TFE 2,2,2-trifluoroethanol - DMSO dimethyl sulfoxide |
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| Keywords: | Chemical shift Standard Reference compound |
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