Table 2.
A. NMR distance restraints | G6*G7 | G6G7* | ||
Total non-exchangeable distance restraints | 144 | 246 | ||
Hydrogen bond restraints | 32 | 32 | ||
Total number of carcinogen intramolecular distance restraints | 9 | 12 | ||
Total number of carcinogen intermolecular distance restraints | 12 | 14 | ||
B. Structural statistics of the adduct NMR violations | ||||
Number >0.2 Å | 0 | 0 | ||
Maximum violations (Å) | 0.1 | 0.1 | ||
The sixth root R factor Rx for different mixing timesa | ||||
Mixing time (ms) | 60 | 135 | 175 | 250 |
G6*G7 | 0 | 0.12 | 0.12 | 0.17 |
G6G7* | 0 | 0.17 | 0.13 | 0.12 |
a.