Table 7: Comparison of the experimental and theoretical data on NMR parameters.

GlcNAcGlcNAc(6S) GalNAc GalNAc(4S) GalNAc(6S) All

, 13C 0.999 (0.998)0.9940.9950.993 (0.998)0.9950.994 (0.996)
, 13C 1.0001.0001.0000.893 (0.929)1.0000.959 (0.965)
, 1H 0.9800.9800.9320.9910.9390.961
, 1H 1.0000.9760.9050.8860.9290.933
ppm, 13C 5.66 (5.63)5.193.963.13 (4.39)3.794.34 (4.38)
ppm, 1H 0.060.040.150.170.020.05
, 0.8360.9850.9330.9230.899
, 0.6571.0000.8290.8290.840
ppm, 1.72.20.70.90.81.3

The analysis for 13C chemical shifts is done without the consideration of C7 chemical shifts. The values obtained with the consideration of C7 chemical shifts from GlcNAc and GalNAc(4S) are given in the parenthesis.