Correlated motions of C'-N and C(α)-C(β) pairs in protonated and per-deuterated GB3

质子化和全氘代GB3中C'-N和C(α)-C(β)对的关联运动

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Abstract

We investigated correlated µs-ms time scale motions of neighboring (13)C'-(15)N and (13)C(α)-(13)C(β) nuclei in both protonated and perdeuterated samples of GB3. The techniques employed, NMR relaxation due to cross-correlated chemical shift modulations, specifically target concerted changes in the isotropic chemical shifts of the two nuclei associated with spatial fluctuations. Field-dependence of the relaxation rates permits identification of the parameters defining the chemical exchange rate constant under the assumption of a two-site exchange. The time scale of motions falls into the intermediate to fast regime (with respect to the chemical shift time scale, 100-400 s(-1) range) for the (13)C'-(15)N pairs and into the slow to intermediate regime for the (13)C(α)-(13)C(β) pairs (about 150 s(-1)). Comparison of the results obtained for protonated and deuterated GB3 suggests that deuteration has a tendency to reduce these slow scale correlated motions, especially for the (13)C(α)-(13)C(β) pairs.

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