Table 2. Intermolecular NOEs between ligand C and A6 DNA.
| |
H1′ |
H4′ |
H5′ and
H5″ |
Adenine H2 |
| Benzene | ||||
| B1 | A6a, A7, T20 and/or T21 | A5a, A6, A8a | ||
| B2 | b | b | ||
| B3 | b | b | ||
| B4 | b | b | ||
| B5 | A8, T19 | A7, A8a | ||
| B6 | b | b | ||
| B1′ | A8a, A9, T18a | A6a, A7a, A8, A9a | ||
| B2′ | b | b | ||
| B3′ | Degenerate w/B3 | Degenerate w/B3 | ||
| B4′ | b | b | ||
| B5′ | A8, T19 | A7, A8a | ||
| B6′ | b | b | ||
| Amide | ||||
| NH1 | A7, T20 and/or T21 | A6 and/or A7, A8a | ||
| NH2 | A6, T20 and/or T21 | A5, A6 and/or A7 | ||
| NH1′ | A9a, T18 | A6 and/or A7, A8 | ||
| NH2′ | A9 | A7a, A8, A9 | ||
| Tail | ||||
| CH2-1 | c | b | b | A5 |
| CH2-2 | c | b | b | A5 |
| CH2-3 | c | b | b | A5 |
| N(CH3)3 | A4 and/or T21, A5, G22 | b | b | A4, A5 |
| CH2-1′ | c | b | b | A9 |
| CH2-2′ | c | b | b | A9 |
| CH2-3′ | c | b | b | A8a, A9 |
| N(CH3)3′ | C11, T16, T17 | b | b | A9 |
aNOE is weak.
bNOEs in the 4′, 5′ and 5″ regions that are difficult to unambigiously assign.
cNOEs are weak and there is spectral overlap with other cross-peaks.
And/or indicates that due to chemical shift degeneracy we cannot distinguish which base has an NOE to the ligand proton.