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Conformational study of the octasaccharide 4. (a) J(H,H) coupling constant determination for the Fucα1 → 6GlcNAcβ and Manα1 → 6Manβ linkages. (b) Superimposition of 5-ns-averaged frames obtained from MD calculations. The minimum-energy conformations for the α-1,6 arm of the disaccharide fragment of 4 are depicted. (c) MD-tar results, indicating the relative population of the different conformers.
