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Evaluation of cross-peak volumes in 2D-spectra using 1D-fitting of line shapes

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Abstract

An interactive technique for the evaluation of cross-peak volumes in 2D-spectra is presented, based on a 1D nonlinear curve-fitting procedure. The effects of applied window functions, truncation of time domain data and cross-peak overlap on the evaluated cross-peak volumes are considered. The technique is applied to crowded NOESY spectra of the 34–65 and 163–231 fragments of bacterioopsin ofHalobacterium halobium. For these spectra 284 and 546 cross-peak volumes were measured with high accuracy.

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Authors and Affiliations

  1. M.M. Shemyakin Institute of Bioorganic Chemistry, Russian Academy of Sciences, Miklukho-Maklaya 16/10, V-437, Moscow, Russian Federation

    I. L. Barsukov, K. V. Pervushin, V. Yu. Orekhov, T. L. Barsukov & A. S. Arseniev

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  1. I. L. Barsukov
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  2. K. V. Pervushin
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  3. V. Yu. Orekhov
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  4. T. L. Barsukov
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  5. A. S. Arseniev
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Barsukov, I.L., Pervushin, K.V., Orekhov, V.Y. et al. Evaluation of cross-peak volumes in 2D-spectra using 1D-fitting of line shapes. Appl. Magn. Reson. 3, 965–973 (1992). https://doi.org/10.1007/BF03166166

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  • DOI: https://doi.org/10.1007/BF03166166

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