Table 2.
position | δC, type | δH (J in Hz) | HMBC | |
---|---|---|---|---|
Met | 1 | 170.3, C═O | 2, NH, NH′ | |
2 | 57.3, CH | 4.34, m | 3, 4, NH | |
3 | 38.8, CH2 | 2.66, m | 2 | |
4 | 40.5, CH2 | 3.20, d (5.4) | 2′, NH′ | |
2.64, m | ||||
5 | 15.4, CH3 | 2.17, s | 4 | |
NH | 7.80, br s | |||
Cys | 1′ | 168.7, C═O | 2′, NH″ | |
2′ | 55.2, CH | 4.81, m | 3′, NH′ | |
3′ | 39.4, CH2 | 3.32, m | ||
3.20, m | ||||
NH′ | 6.84, d (9.1) | |||
Ahhxa | 1″ | 171.4, C═O | 3″ | |
2″ | 27.9, CH2 | 2.24, m | 3″, 4″ | |
2.04, m | ||||
3″ | 70.4, CH | 4.34, m | 2″, 4″, 5″, NH″ | |
4″ | 55.9, CH | 3.06, m | 2″, 3″, 5″, NH″ | |
5″ | 38.7, CH2 | 2.06, m | 3″, 4″, 6″ | |
1.52, m | ||||
6″ | 25.1, CH | 1.62, m | 4″, 5″, 7″, 8″ | |
7″ | 21.2, CH3 | 0.91, d (1.5) | 5″, 6″ | |
8″ | 23.4, CH3 | 0.89, d (1.7) | 5″, 6″ | |
NH″ | 7.54, d (7.1) | |||
OH″ | ||||
acyl | 1‴ | 171.2, C═O | 3.34, m | 2‴, NH |
2‴ | 41.4, CH2 | 3.34, m | 4‴ | |
2.73, m | ||||
3‴ | 70.7, CH | 5.49, br s | 2‴, 4‴ | |
4‴ | 129.4, CH | 5.74, d (15.3) | 2‴, 3‴ | |
5‴ | 132.9, CH | 6.22, m | 6‴, 7‴ | |
6‴ | 32.6, CH2 | 2.72, m | 4‴ | |
2.41, m | ||||
7‴ | 41.0, CH2 | 3.32, m | ||
2.74, m |
Ah(6)hp: 4-amino-3-hydroxy-6-methylheptanoic acid.