Table 4.
| residue | position | δC, type | δH (J, Hz) | residue | position | δC, type | δH (J, Hz) |
|---|---|---|---|---|---|---|---|
| MeHA | 1 | 167.0, C | - | Leu1 | 1 | 176.4, C | - |
| 2 | 121.2, CH | 6.34, d (15.2) | 2 | 56.4, CH | 4.52, m | ||
| 3 | 152.4, CH | 7.13, dd (15.2, 7.8) | 3 | 41.0, CH2 | 2.10, 2.41, m | ||
| 4 | 39.0, CH | 2.30, m | 4 | 25.7, CH | 2.30, m | ||
| 5 | 29.7, CH2 | 1.39, 1.58, m | 5 | 22.3, CH3 | 0.98c | ||
| 6 | 12.5, CH3 | 0.98c | 6 | 23.55, CH3 | 1.11, d (6.5) | ||
| 7 | 19.7, CH3 | 1.07c | CONH | - | 8.10, br d (5.0) | ||
| MePro | 1 | 176.0, C | - | Leu2 | 1 | 175.7, C | - |
| 2 | 64.7, CH | 4.54, m | 2 | 56.8, CH | 4.48, m | ||
| 3 | 39.7, CH2 | 1.75, 2.44, m | 3 | 40.6, CH2 | 2.18, 2.26, m | ||
| 4 | 34.2, CH | 2.13, m | 4 | 25.5, CH | 2.12, m | ||
| 5 | 55.1, CH2 | 3.65, 3.88, m | 5 | 23.0, CH3 | 0.93c | ||
| 6 | 17.1, CH3 | 0.95c | 6 | 23.2, CH3 | 1.01, d (6.4) | ||
| AHMD | 1 | n.d.d | - | CONH | - | 8.66, br d (4.8) | |
| 2 | 56.5, CH | 4.67, m | Aib2 | 1 | 176.1, C | - | |
| 3 | 36.6, CH2 | 1.67, 2.36, m | 2 | 57.3, C | - | ||
| 4 | 27.9, CH | 2.28, m | 3 | 24.01, CH3 | 1.78c | ||
| 5 | 46.0, CH2 | 1.40, 1.60, m | 4 | 27.7, CH3 | 1.86, s | ||
| 6 | 68.1, CH | 3.86, m | CONH | - | 8.67, s | ||
| 7 | 39.1, CH2 | 1.54, 1.61, m | Aib3 | 1 | 177.4, C | - | |
| 8 | 29.0, CH2 | 1.49, 1.68, m | 2 | 57.6, C | - | ||
| 9 | 23.7, CH2 | 1.37, m | 3 | 24.03, CH3 | 1.78, s | ||
| 10 | 14.8, CH3 | 0.92c | 4 | 28.0, CH3 | 1.89, s | ||
| 11 | 20.7, CH3 | 1.05c | CONH | - | 8.02, s | ||
| CONH | - | 10.03, br d (6.1) | β-Ala | 1 | n.d.d | - | |
| β-HyLeu | 1 | 174.0, C | - | 2 | 38.1, CH2 | 2.61, 3.11, m | |
| 2 | 63.4, CH | 4.60, dd (8.2, 5.0) | 3 | 38.0, CH2 | 3.63, 4.08, m | ||
| 3 | 74.4, CH | 4.46, m | CONH | - | 8.46, m | ||
| 4 | 30.8, CH | 2.23, m | DPD | 1 | 64.5, CH2 | 3.10, 4.07, m | |
| 5 | 16.3, CH3 | 1.40, d (6.6) | 2 | 42.5, CH | 4.57, m | ||
| 6 | 21.5, CH3 | 1.37, d (6.8) | 3 | 19.4, CH3 | 1.26, d (6.7) | ||
| CONH | - | 9.32, br s | 4, 5 | 45.3, CH3 | 2.68, br s | ||
| OH-3 | - | 6.11, br s | CONH | - | 7.87, br d (8.6) | ||
| Aib1 | 1 | 177.7, C | - | ||||
| 2 | 57.4, C | - | |||||
| 3 | 23.63, CH3 | 1.80, s | |||||
| 4 | 27.4, CH3 | 1.93, s | |||||
| CONH | - | 9.06, s |
a
Abbreviations: MeHA, 4-methyl-2-hexenoic acid; MePro, 4-methylproline; AHMD, 2-amino-6-hydroxy-4-methyldecanoic acid; β-HyLeu, β-hydroxyleucine; Aib, 2-aminobutyric acid; Leu, leucine; β-Ala, β-alanine; DPD, N1,N1-dimethylpropane-1,2-diamine.
b
Chemical shifts were extracted from the COSY, ROESY, HSQC, and HMBC correlation data.
c
Multiplicity was not determined due to overlapping signal.
d
Not detected.