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Ensemble structural fitting to RDCs and PREs. (a) Agreement between experimental and back- calculated RDCs for a 1-state ensemble (left) and a 3-state ensemble (right). Data include NH, NC′, and phenyl CH (the latter two are normalized to NH). RDCs are collected in positive and negative gels (b) Agreement between experimental and back-calculated PREs for a 1-state ensemble (left) and a 3-state ensemble (right). Data include PREs from T55C, K59C, R83C, R117C, and S176C.
