Journal of Biomolecular NMR

, Volume 6, Issue 2, pp 135–140

1H, 13C and 15N chemical shift referencing in biomolecular NMR

  • David S. Wishart
  • Colin G. Bigam
  • Jian Yao
  • Frits Abildgaard
  • H. Jane Dyson
  • Eric Oldfield
  • John L. Markley
  • Brian D. Sykes
Research Paper

DOI: 10.1007/BF00211777

Cite this article as:
Wishart, D.S., Bigam, C.G., Yao, J. et al. J Biomol NMR (1995) 6: 135. doi:10.1007/BF00211777

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.

Keywords

Chemical shiftStandardReference compound

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

Copyright information

© ESCOM Science Publishers B.V 1995

Authors and Affiliations

  • David S. Wishart
    • 1
  • Colin G. Bigam
    • 1
  • Jian Yao
    • 2
  • Frits Abildgaard
    • 3
  • H. Jane Dyson
    • 2
  • Eric Oldfield
    • 4
  • John L. Markley
    • 3
  • Brian D. Sykes
    • 1
  1. 1.Protein Engineering Network of Centres of Excellence, Department of BiochemistryUniversity of AlbertaEdmontonCanada
  2. 2.Department of Molecular BiologyThe Scripps Research InstituteLa JollaU.S.A.
  3. 3.National Magnetic Resonance Facility at Madison, Department of BiochemistryUniversity of Wisconsin at MadisonMadisonU.S.A.
  4. 4.Department of ChemistryUniversity of Illinois at Urbana-ChampaignUrbanaU.S.A.