. Author manuscript; available in PMC: 2017 Jul 13.

Published in final edited form as: J Am Chem Soc. 2016 Jul 1;138(27):8412–8421. doi: 10.1021/jacs.6b01447

Table 2.

Average F_corr from experimental S² and CCR rates

	F_corr ^a
	H^NN/H^NN	C^αH^α/C^αH^α	H^NN/C^αH^α	C^αH^α/H^NN
iterative DIDC ^b	1.01	1.05	1.10	1.02
ORIUM ^b	1.24	1.28	1.39	1.29
Ccr16 ^c	1.10	1.14	1.14	1.04

Bond lengths of 1.041 and 1.117 Å were used to calculate CCRs from structures to account for libration motions that are not present in static structures

Coordinates from RDC-refined X-ray structure ⁵⁶ whose H^N and H^a proton positions were subsequently optimized with RDCs ^48,49

Average values calculated from 20 ensembles.