Table 4. Observed and Calculated Cross-Relaxation Terms (ΣHF)a.
| hydrogen | shift, ppm | ΣHF, ×103 s–1 (obs) | ΣHF, ×103 s–1 (calc) |
|---|---|---|---|
| 6TrpHE1 | 9.862 | –5 | –7 ± 1 |
| 8LysH | 9.099 | –3 | –4 ± 1 |
| 11GlyH | 8.687 | –2 | –3 ± 1 |
| 7LeuH | 8.416 | –3 | –4 ± 1 |
| 14SerH | 8.197 | ∼0 | –2 ± 1 |
| 6TrpH | 8.178 | ∼0 | –6 ± 3 |
| 16ArgH | 8.163 | –2 | –7 ± 1 |
| 3TyrH | 8.131 | ∼0 | –1 ± 1 |
| 5GlnH + 9AspH | 8.080 + 7.990 | –3 | –5 ± 3a |
| 4IleH | 7.829 | ∼0 | –7 ± 5 |
| 2LeuH + 10GlyH + 15GlyH | 7.777 + 7.705 +7.744 | ∼0a | –2 ± 1 |
| 13SerH | 7.694 | ∼0 | 0 ± 1 |
| 6TrpHE3 + 5GlnHE21 | 7.555 + 7.549 | ∼0 | –1 ± 2a |
| 1AsnHD21 + 20SerH | 7.296 + 7.290 | ∼0 | 0 ± 1a |
| 6TrpHZ3 + 6TrpHZ2 | 7.221 + 7.205 | 1 | 1 ± 3a |
| 6TrpHH2 | 7.138 | ∼0 | 7 ± 1 |
| 6TrpHD1 + 16ArgHE | 7.107 + 7.090 | –7 | –12 ± 8a |
| 3TyrQE | 6.852 | 4 | 5 ± 1 |
| 5GlnHE22 | 6.566 | ∼0 | –2 ± 4 |
| 1AsnHD22 | 6.204 | 6 | 1 ± 2 |
| 8LysHA | 3.948 | 2 | 3 ± 1 |
| 16ArgHD2 + 6TrpHB3 | 3.338 + 3.327 | –9 | –2 ± 2a |
| 9AspHB2 | 2.974 | -4 | –4 ± 4 |
| 18ProHA | 2.760 | –6 | –4 ± 1 |
| 12ProHB3 | 2.542 | –6 | 3 ± 3 |
| 5GlnQG | 2.441 | –1 | –5 ± 2 |
| 5GlnQB | 2.281 | –11 | –5 ± 2 |
| 18ProHB2 | 1.351 | 4 | 0 ± 1 |
| 4IleQD1 + 7LeuQD1 + 2LeuQD1 | 1.016 + 1.005 + 0.998 | 4 | 3 ± 3a |
| Ile4QG2 + 7LeuQD2 + 2LeuQD2 + 11Gly HA2 | 0.968 + 0.958 + 0.954 + 0.942 | 2 | 1 ± 1a |
| 18ProHB3 | 0.368 | ∼0 | –2 ± 2 |
a
The average calculated ΣHF is shown for overlapped signals.