Table 1.
Ring-A | Ring-B | |||||
---|---|---|---|---|---|---|
Position | δC, type | δH (J in Hz) | Position | δC, type | δH (J in Hz) | |
Thr | 1 | 168.8, C | 1 | 169.0, C | ||
2 | 55.5, CH | 4.81 (dd, 7.0, 2.5) | 2 | 54.9, CH | 4.49 (dd, 6.5, 2.8) | |
3 | 74.7, CH | 5.24 (m) | 3 | 75.4, CH | 5.24 (m) | |
4 | 17.7, CH3 | 1.28 (d, 6.3) | 4 | 17.8, CH3 | 1.24 (d, 6.0) | |
NH | 7.44 (d, 6.9) | NH | 7.50 (d, 6.4) | |||
Val | 1 | 173.5, C | 1 | 173.3, C | ||
2 | 58.9, CH | 3.57 (dd, 10.2, 3.5) | 2 | 58.1, CH | 3.55 (dd, 8.9, 4.3) | |
3 | 32.0, CH | 2.16 (m) | 3 | 31.9, CH | 2.12 (m) | |
4 | 19.2, CH3 | 0.75 (d, 2.7) | 4 | 19.2, CH3 | 0.74 (d, 2.7) | |
5 | 19.2, CH3 | 0.96 (d, 7.4) | 5 | 19.0, CH3 | 0.94 (d, 1.6) | |
NH | 8.17 (d, 6.2) | NH | 7.91 (d, 5.5) | |||
Pro | 1 | 173.2, C | 1 | 173.0, C | ||
2 | 57.0, CH | 5.97 (d, 9.2) | 2 | 56.5, CH | 6.05 (d, 9.6) | |
3 | 31.2, CH2 | 1.84 (m), 2.78 (m) | 3 | 31.4, CH2 | 4.13 (m), 3.95 (m) | |
4 | 23.0, CH2 | 2.06 (m), 2.26 (m) | 4 | 70.0, CH | 4.70 (m) | |
5 | 47.6, CH2 | 3.85 (m), 3.73 (m) | 5 | 54.7, CH2 | 3.56 (m), 3.08 (m) | |
Sar | 1 | 166.5, C | 1 | 166.5, C | ||
2 | 51.3, CH2 | 4.72 (d, 17.4), 3.63 (d, 17.4) | 2 | 51.5, CH2 | 4.55 (d, 17.4), 3.59 (d, 17.4) | |
MeVal | NMe | 35.0, CH3 | 2.87 (s) | NMe | 35.1, CH3 | 2.87 (s) |
1 | 167.6, C | 1 | 167.7, C | |||
2 | 71.3, CH | 2.71 (d, 9.3) | 2 | 71.4, CH | 2.67 (d, 9.4) | |
3 | 27.0, CH | 2.78 (m) | 3 | 27.0, CH | 2.64 (m) | |
4 | 21.7, CH3 | 0.96 (m) | 4 | 21.7, CH3 | 0.94 (m) | |
5 | 19.4, CH3 | 0.75 (d, 2.7) | 5 | 19.2, CH3 | 0.74 (d, 3.1) | |
NMe | 39.5, CH3 | 2.95 (s) | NMe | 39.3, CH3 | 2.94 (s) | |
chromophore | 1 | 102.7, C | ||||
2 | 147.1, C | |||||
3 | 179.1, C | |||||
4 | 113.6, C | |||||
4a | 145.0, C | |||||
5a | 140.7, C | |||||
6 | 128.5, C | |||||
7 | 130.4, CH | 7.35 (d, 7.8) | ||||
8 | 126.2, CH | 7.64 (d, 7.8) | ||||
9 | 131.3, C | |||||
9a | 129.6, C | |||||
10a | 146.1, C | |||||
11 | 166.2, C | |||||
12 | 7.9, CH3 | 2.22 (s) | ||||
13 | 15.3, CH3 | 2.54 (s) | ||||
14 | 173.0, C |
Thr, Threonine; Val, Valine; Pro, Proline; Sar, Sarcosine.