C-13 chemical shift tensor of L-tryptophan and its application to polypeptide structure determination

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Abstract

The C-13 chemical shift tensor has been determined for the indole C2 of tryptophan using 14N dipole-coupled C-13 powder spectra. σ33 was found to be perpendicular to the indole ring, and σ22≈6° off the parallel to the NH bond. The principal values for the C-13 chemical shift tensor were found to be δ11 = 202, δ22 = 48 ppm. The results were applied to the analysis of the reduced chemical shift anisotropy obtained from C-13 enriched tryptophans in the polypeptide gramicidin A in phospholipid membranes.

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