Table 1. NMR Chemical Shift Values of 1 in MeCN-d3/DMSO-d6 (4:1).
| unit | position | δH (J = Hz) | δC |
|---|---|---|---|
| Mba | CO | 170.1 | |
| 2 | 132.7 | ||
| 3 | 6.42 (m) | 131.6 | |
| 4 | 1.72 (d, 6.9) | 14.2 | |
| 2-Me | 1.79 (s) | 12.8 | |
| Gln1 | CO | 173.8 | |
| NH | 7.54 (d, 7.0) | ||
| α | 4.37 (q, 7.0) | 54.2 | |
| β | 1.96 (m) | 28.2 | |
| γ | 2.26 (m) | 32.4 | |
| δ | 176.1 | ||
| δ-NH2 | 6.26 (brs), 7.02 (brs) | ||
| Thr2 | CO | 170.8 | |
| NH | 7.65 (d, 8.8) | ||
| α | 4.55 (m) | 56.4 | |
| β | 5.35 (m) | 73.3 | |
| γ | 1.23 (t, 6.8) | 18.3 | |
| Gln3 | CO | 171.2 | |
| NH | 8.19 (d, 8.4) | ||
| α | 4.18 (m) | 53.6 | |
| β | 1.65 (m), 2.18 (m) | 27.2 | |
| γ | 2.09 (m) | 32.5 | |
| δ | 175.5 | ||
| δ-NH2 | 6.10 (brs), 6.76 (brs) | ||
| Ahp4 | CO | 170.4 | |
| NH | 7.21 (d, 9.0) | ||
| α | 3.71 (m) | 50.0 | |
| β | 1.65 (m), 2.35 (m) | 22.9 | |
| γ | 1.64 (m), 1.75 (m) | 30.4 | |
| δ | 5.14 (brs) | 75.3 | |
| OH | 5.81 (brs) | ||
| Phe5 | CO | 171.9 | |
| α | 4.86 (dd, 11.6, 4.3) | 52.0 | |
| β | 1.89 (m), 2.87 (m) | 36.3 | |
| γ | 138.0 | ||
| δ | 6.87 (d, 7.3) | 130.5 | |
| ε | 7.20 (dd, 7.3, 7.1) | 128.9 | |
| ζ | 7.15 (d, 7.1) | 127.3 | |
| N-Me-Tyr6 | CO | 170.0 | |
| N-Me | 2.74 (s) | 30.7 | |
| α | 4.93 (dd, 11.5, 3.2) | 62.4 | |
| β | 2.70 (m), 3.18 (m) | 33.6 | |
| γ | 129.1 | ||
| δ | 7.04 (d, 8.4) | 131.5 | |
| ε | 6.81 (d, 8.4) | 116.6 | |
| ζ | 157.5 | ||
| OH | NDa | ||
| Ala7 | CO | 174.8 | |
| NH | 7.69 (d, 8.5) | ||
| α | 4.62 (m) | 48.2 | |
| β | 1.24 (t, 6.8) | 18.6 |
a
ND: not detected.