Measurement of Cross Correlation between Dipolar Coupling and Chemical Shift Anisotropy in the Spin Relaxation ofC,N-Labeled Proteins |
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Authors: | Ranajeet Ghose Kai Huang James H Prestegard |
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Institution: | aDepartment of Chemistry, Yale University, New Haven, Connecticut, 06520;bComplex Carbohydrate Research Center, University of Georgia, Athens, Georgia, 30602-4712 |
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Abstract: | We present a simple method for extracting interference effects between chemical shift anisotropy (CSA) and dipolar coupling from spin relaxation measurements in macromolecules, and we apply this method to extracting cross-correlation rates involving interference of amide15N CSA and15N–1H dipolar coupling and interference of carbonyl13C′ CSA and15N–13C′ dipolar coupling, in a small protein. A theoretical basis for the interpretation of these rates is presented. While it proves difficult to quantitatively separate the structural and dynamic contributions to these cross-correlation rates in the presence of anisotropic overall tumbling and a nonaxially symmetric chemical shift tensor, some useful qualitative correlations of data with protein structure can be seen when simplifying assumptions are made. |
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Keywords: | chemical shift anisotropy dipolar coupling interference effects carbonyl relaxation secondary structure |
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