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. Author manuscript; available in PMC: 2015 Dec 29.
Published in final edited form as: J Mol Biol. 2004 Dec 31;346(4):951–965. doi: 10.1016/j.jmb.2004.12.027

Table 1.

Intermolecular NOEs in the 10S (−)-trans-anti-[BP]G adduct in the meC-[BP]G-C sequence context in the 11-mer duplex

10R (K)-trans-anti-[BP]G Intermolecular NOEs
H1 (7.63 ppm) MeC5(H6)[m], MeC5(H1′)[w], MeC5(H2′)[m], MeC5(H2′′)[w], MeC5(CH3)[m], G6(H2′′)[w], C7(H5)[m], C7(H6)[w], G16(H1)[m]
H2 (7.63 ppm) MeC5(NH2)[m], MeC5(H6)[m], MeC5(CH3)[m], C7(NH2)[m], G16(H1)[m]
H3 (7.40 ppm) MeC5(NH2)[m], MeC5(CH3)[w], G16(H1)[m], G18(H1)[w]
H4 (6.79 ppm) G16(H1)[m], G18(H1)[w]
H5 (6.74 ppm) G16(H1)[w], G18(H1)[w]
H6 (7.32 ppm) T8(H4′)[m], G16(H1)[w], G18(H1)[m], G18(H1′)[m]
H7 (5.14 ppm) C7(H1′)[m], T8(H4′)[m]
H8 (4.36 ppm) A19(H4′ ′)[m]
H9 (4.48 ppm) G6(H1)[m], G6(H1′)[w]
H10 (6.48 ppm) G18(H1)[w], G6(H1)[m], G6(H2′′), C7(H1′)[m], C7(H4′)[m]
H11 (7.96 ppm) MeC5(H1′)[m], MeC5(H1′′)[m], G6(H1)[m], C7(H5)[w], C7(H1′)[m]
H12 (7.48 ppm) MeC5(H1′)[m], MeC5(H2′)[m], MeC5(H2′′′)[m], MeC5(H6)[m], MeC5(CH3)[w], G6(H2′)[m], G6(H2′′)[m], C7(H6)[m], C7(H5)[m], C7(H1′)[w]
NH (11.23 ppm) MeC5(H1′)[m]

The chemical shifts of the adduct were recorded at 0 °C in H2O and 2H2O buffered solutions.