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. 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
 SLFb)
 PDLFb)
 PISEMAc)
 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
C4-11 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| = |DCH+JCH/2], where JCH and DCH 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 /(22 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.