An ab initio quantum chemical investigation of carbon-13 NMR shielding tensors in glycine, alanine, valine, isoleucine, serine, and threonine: Comparisons between helical and sheet tensors, and the effects of (χ1) on shielding

Journal of the American Chemical Society

Volumn 119, Issue 49, 1997, Pages 11951-11958

  Havlin, Robert H ^a,b   Le, Hongbiao ^a,c   Laws, David D ^a,b   Dedios, Angel C ^a,d   Oldfield, Eric ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c ETH ZURICH   (Switzerland)

^d GEORGETOWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE; AMIDE; AMINO ACID DERIVATIVE; GLYCINE; ISOLEUCINE; SERINE; THREONINE; VALINE;

AMINO ACID ANALYSIS; ARTICLE; CALCULATION; GEOMETRY; IN VITRO STUDY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; THEORY;

EID: 0031465495     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja971796d     Document Type: Article

References (8)

1. de Dios, A. C.; Oldfield, E. Solid State NMR 1996, 6, 101-126.
2. Oldfield, E. J. Biomol. NMR 1995, 5, 217-225.
3. Pearson, J. G.; Wang, J.-F.; Markley, J. L.; Le, H.; Oldfield, E. J. Am. Chem. Soc. 1995, 117, 8823-8829.
4. Cole, H. B. R.; Sparks, S. W.; Torchia, D. A. Proc. Natl. Acad. Sci. U.S.A. 1988, 85, 6362-6365.
5. Naito, A.; Ganapathy, S.; Akasaka, K.; McDowell, C. A. J. Chem. Phys. 1981, 74, 3190-3197.
6. Ponder, J. W.; Richards, F. M. J. Mol. Biol. 1987, 193, 775-791.
7. Janes, N.; Ganapathy, S.; Oldfield, E. J. Magn. Reson. 1983, 54, 111-121.
8. Havlin, R. H.; Le, H.; Laws, D. D.; deDios, A. C.; Pearson, J. G.; Oldfield, E. The Web 1997, http://feh.scs.uiuc.edu.