Siemons, L;
Uluca-Yazgi, B;
Pritchard, RB;
McCarthy, S;
Heise, H;
Hansen, DF;
(2019)
Determining isoleucine side-chain rotamer-sampling in proteins from {13}^C chemical shift.
Chemical Communications
10.1039/c9cc06496f.
(In press).
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Abstract
Chemical shifts are often the only nuclear magnetic resonance parameter that can be obtained for challenging macromolecular systems. Here we present a framework to derive the conformational sampling of isoleucine side chains from {13}^C chemical shifts and demonstrate that side-chain conformations in a low-populated folding intermediate can be determined.
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