. Author manuscript; available in PMC: 2015 Jan 1.

Published in final edited form as: J Biomol NMR. 2013 Dec 20;58(1):69–81. doi: 10.1007/s10858-013-9806-y

Table 1.

Summary of data for the assignment and isotropic chemical shift calculations of MerF isoleucine residues for DCCICS analysis.

Residue assignment	Calculation from OS solid-state NMR		Measurement in solution NMR		The difference

	¹⁵N shift	¹H shift	¹⁵N shift	¹H shift
55	121.47	8.72	120.80	8.88	0.21
62	118.24	7.98	117.97	8.22	0.24
59	120.35	8.21	120.25	8.25	0.04
53	119.05	8.10	116.81	8.15	0.45
29	117.40	8.07	118.19	7.63	0.47
13	124.21	8.05	121.80	8.22	0.51
12	118.01	8.46	122.91	8.26	1.00