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. 2018 Jan 29;22(2):21. doi: 10.1007/s10404-018-2037-5

Table 1.

Calculated inter-proton inter-residue distances in Man6GlcNAc2 compared to experimental observations in Man9GlcNAc2 (Woods et al. 1998)

Linkage Proton pair Distance NMR (Å) Distance MD diffusion (Å) Distance MD flow (Å)
(α12)
 9-8 H1/H1 Obscured 3.19 3.20
H1/H2 (2.10) 2.28 2.28
H1/H3 3.23 4.28 4.29
H1/H4 No-NOE 4.40 4.43
H5/H1 (2.74) 2.45 2.43
(α13)
 8-4 H1/H1 3.30 4.62 4.62
H1/H2 3.11 3.41 3.40
H1/H3 Short 2.27 2.27
H1/H4 2.98 3.98 3.96
H5/H1 No-NOE 4.88 4.86
H5/H2 Obscured 2.53 2.54
 7-5 H1/H1 No-NOE No-NOE No-NOE
H1/H2 2.99 3.54 3.47
H1/H3 2.09 2.30 2.29
H1/H4 2.90 3.89 3.97
H5/H1 No-NOE 4.95 4.90
H5/H2 2.69 2.51 2.50
(α16)
 5-4 H1/H6 2.75 2.86 2.66
H1/H6 2.41 2.42 2.47
H1/H5 3.27 3.57 4.01
 6-5 H1/H6 (2.40) 2.75 2.78
H1/H6 2.14 2.44 2.43
H1/H5 Obscured 4.03 3.70

Distances derived from overlapping peaks are indicated in parentheses. Where no-NOE is mentioned, distances are usually >4.0 Å