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. 2017 Jul 31;114(33):E6822–E6829. doi: 10.1073/pnas.1707974114
Parameter name Description Floating/fixed
ωD Chemical shifts of down state Fixed for five selected residues (13C only) and used in Eq. S3
ΔωUD=ωDωU Difference in chemical shifts between up and down states Fixed for five selected residues (13C and 1H) and floating for others
ΔωCD=ωDωC Difference in chemical shifts between states C and D Floating
RMQ,D,RMQ,U,RMQ,C Multiple quantum (MQ) relaxation rates for states D, U, C Floating, but assumed the same for a given methyl
kex,DU,kex,UC,pU,pC Exchange rates and populations Floating global parameters