. Author manuscript; available in PMC: 2008 Oct 3.

Published in final edited form as: J Magn Reson. 2006 Nov 2;184(2):222–227. doi: 10.1016/j.jmr.2006.10.006

Table 1.

Comparison of intramolecular ¹³C’-³¹P distances in crystalline and trehalose-protected POPC lipids from REDOR, MD simulations and X-ray crystallography.

Sites	Chemical shift (ppm)	¹³C’- P distances (Å) ³¹
		Crystalline POPC	TRE-POPC	MD		DMPC crystal structure
		Crystalline POPC	TRE-POPC	L_α phase ^a	Gel phase ^b	DMPC crystal structure
sn-1	172.0	6.2	6.8 ± 1.2	6.2 ± 0.5	6.7 ± 0.6	6.8
sn-1	173.5	6.7	5.8 ± 1.0	6.2 ± 0.5	6.7 ± 0.6	7.0
sn-2	174.6	5.3	5.3 ± 0.6	5.5 ± 0.5	4.7 ± 0.6	5.4
sn-2	175.5	5.3	5.3 ± 0.6	5.5 ± 0.5	4.7 ± 0.6	4.6

Obtained from: http://persweb.wabash.edu/facstaff/fellers/coordinates/popc.pdb.

Obtained from http://www.lrz-muenchen.de/~heller/membrane/gel.pdb [12].