. Author manuscript; available in PMC: 2008 Sep 2.

Published in final edited form as: J Am Chem Soc. 2007 Jan 31;129(4):794–802. doi: 10.1021/ja065536k

Table 1.

¹H-¹³C coupling constants^(a) (given in kHz) measured from magnetically aligned DMPC:DHPC bicelles (q=3.5) at 37°C using different 2D solid-state NMR techniques. Full line width at half-maximum is given in parenthesis. Dipolar couplings measured using the PDLF technique from bicelles (q=3.5) containing 2 mole % and 10 mole % of desipramine are also given.

Site	SLF^b)	PDLF^b)	PISEMA^c)	Desipramine 2 mole %	Desipramine 10 mole %
C₁₄	--	0.17(0.03)	--	0.13	0.13
C₁₃	0.85(0.20)	0.91(0.06)	0.90(0.10)	0.66	0.68
C₁₂	1.14(0.30)	1.08(0.05)	1.11(0.10)	1.00	0.93
C_4-11	1.73(0.40)	1.73(0.10)	1.63(0.16)	1.52	1.63
C₃	1.61(0.40)	1.59(0.10)	1.53(0.15)	1.51	1.61
C₂	1.72(0.30)	1.73(0.07)	1.67(0.15)	1.67	1.81
g₁	0.74(0.20)	0.72(0.05)	0.76(0.08)	0.69	0.79
g₂	1.50(0.25)	1.50(0.05)	1.48(0.08)	1.49	1.62
g₃	1.77(0.30)	1.75(0.10)	1.77(0.10)	1.68	1.77
α	0.55(0.10)	0.54(0.02)	0.56(0.03)	0.43	0.35
β	--	1.15/0.26 (0.05/0.03)	1.19(0.06)	1.19	1.28
γ	0.11(0.10)	0.14(0.01)	--	0.15	0.17

^a)

absolute values of coupling constant |d| = |D_CH+J_CH/2], where J_CH and D_CH are the scalar coupling constant and motionally averaged dipolar coupling constant, respectively.

^b)

d = Δ /(2k), where Δ is the spectral splitting and k = 0.42 is the scaling factor of the BLEW48 sequence.

^c)

d = Δ / $(2 \sqrt{2} k)$ for CH₂ methylenes (except β) and d = Δ / (2k) for the CH pair (g₂ site) and for the β site, where Δ is the spectral splitting and k = 0.79 is the scaling factor for the BB-PISEMA pulse sequence.