Table 2.
Residue | Position | äC, Type | äH (J in Hz) | ROESY a | HMBC b |
---|---|---|---|---|---|
Tzl-COOMe | 1 | 51.1, CH3 | 3.81, s | 4 | 2 |
2 | 160.3, C | ||||
3 | 144.5, C | ||||
4 | 128.0, CH | 8.43, s | 1 | 2, 5 | |
5 | 173.4, C | ||||
Pyr | 6 | 57.5, CH | 5.32, dd (8.2, 2.4) | 5 | |
7 | 30.5, CH2 | 2.05, m | |||
2.27, m | |||||
8 | 23.3, CH2 | 1.87, m | |||
1.96, m | |||||
9 | 45.9, CH2 | 3.70, m | 11 | ||
Pro | 10 | 169.7, C | |||
11 | 56.7, CH | 4.68, brs | 9 | 10 | |
12 | 27.1, CH2 | 1.81, m | |||
2.20, m | |||||
13 | 23.7, CH2 | 2.04, m | |||
14 | 46.0, CH2 | 3.50, m | 16 | ||
3.66, m | |||||
Phe | 15 | 168.2, C | |||
16 | 50.0, CH | 4.77, brs | 14 | 15, 18 | |
17 | 36.1, CH2 | 2.76, dd (14.1, 8.8) | 19 | 15, 16, 18 | |
2.97, dd (14.1, 4.3) | |||||
18 | 136.3, C | ||||
19 | 128.6, CH | 7.11, d (7.1) | 17 | ||
20 | 127.1, CH | 7.23, m | |||
21 | 125.3, CH | 7.18, m | |||
NH(1) | 8.18, d (8.9) | 23 | 22 | ||
Phe | 22 | 173.3, C | |||
23 | 57.1, CH | 3.03, dd (9.0, 4.2) | 30, NH(1) | 29 | |
24 | 39.6, CH2 | 2.35, dd (13.3, 9.0) | 26 | 22, 23, 25 | |
2.67, dd (13.3, 4.1) | |||||
25 | 137.4, C | ||||
26 | 128.6, CH | 7.11, d (7.1) | 24 | ||
27 | 127.1, CH | 7.23, m | |||
28 | 125.4, CH | 7.18, m | |||
NH(2) | |||||
Dma c | 29 | 53.2, C | |||
30 | 24.7, CH3 | 0.79, s | 23 | ||
31 | 26.6, CH3 | 0.76, s | 32 | ||
32 | 144.9, CH | 5.26, dd (17.5, 10.7) | 31 | 29, 31 | |
33 | 110.9, CH2 | 4.72, m |
a ROESY Rotation Frame Nuclear Overhauser Effect Spectroscopy; b HMBC correlations are given from proton(s) stated to the indicated carbon atom; c Dma: 1,1-dimethylallyl.