Table 6: Experimentally versus computationally obtained (Hz).

ProtonpairGlcNAcGlcNAc(6S)GalNAc GalNAc(4S)GalNAc(6S)
Exp.GIAO Exp. GIAO Exp.GIAO Exp. GIAO Exp. GIAO

H1-H2 8.425.598.325.748.175.538.305.278.095.63
H2-H3 10.467.6810.397.4210.927.878.5010.867.69
H3-H4 8.825.898.996.073.363.902.503.713.503.73
H4-H5 9.536.6910.027.411.032.082.850.851.94
H5-H6 2.402.561.840.544.415.656.844.774.14
H5-H7 5.676.705.594.607.796.404.907.557.89