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Probing the excited-state chemical shifts and exchange parameters by nitrogen-decoupled amide proton chemical exchange saturation transfer (HNdec-CEST).


ABSTRACT: CEST-NMR spectroscopy is a powerful tool for probing the conformational dynamics of macromolecules. We present a HNdec-CEST experiment that simplifies the relaxation matrix, reduces fitting parameters, and enhances signal resolution. Importantly, fitting of HNdec-CEST profiles enables robust extraction of exchange rates as well as excited-state chemical shifts and populations.

SUBMITTER: Wu Q 

PROVIDER: S-EPMC5723528 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature

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Probing the excited-state chemical shifts and exchange parameters by nitrogen-decoupled amide proton chemical exchange saturation transfer (HN<sup>dec</sup>-CEST).

Wu Qinglin Q   Fenton Benjamin A BA   Wojtaszek Jessica L JL   Zhou Pei P  

Chemical communications (Cambridge, England) 20170701 61


CEST-NMR spectroscopy is a powerful tool for probing the conformational dynamics of macromolecules. We present a HN<sup>dec</sup>-CEST experiment that simplifies the relaxation matrix, reduces fitting parameters, and enhances signal resolution. Importantly, fitting of HN<sup>dec</sup>-CEST profiles enables robust extraction of exchange rates as well as excited-state chemical shifts and populations. ...[more]

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