Table 1.
Unit | Carbon | δCa | δH, multiplicity (Hz)b | COSY | HMBC (1H to 13C) | NOESY |
---|---|---|---|---|---|---|
Thr | 1 | 170.2 | ||||
2 | 58.0 | 4.55, dd (7.7, 2.8) | 2NH, 3 | 1, 3 | 4 | |
NH 7.86, d (8.0) | 2 | 2, 3, 5 | 4, 6, 7 | |||
3 | 66.0 | 4.28, m | 2, 4 | |||
4 | 20.2 | 1.15, d (6.6) | 3 | 2, 3 | 2, 2NH | |
Hiva | 5 | 169.4 | ||||
6 | 75.8 | 4.91, d (3.4) | 7 | 5, 7, 8, 9, 10 | 2NH, 8 | |
7 | 30.0 | 2.18, m | 6, 8, 9 | 8 | 2NH | |
8 | 18.9 | 0.90, d (6.9) | 7 | 6, 7, 9 | 6 | |
9 | 16.0 | 0.76, d (6.9) | 7 | 6, 7, 8 | ||
Ahdhe | 10 | 174.2 | ||||
11 | 44.3 | 2.30, dq (9.0, 7.2) | 12, 18 | 10, 12, 18 | 13NH | |
12 | 71.1 | 3.78, d (9.6) | 11 | 10, 11, 18 | 17, 18 | |
13 | 52.6 | 3.53, dd (11.4, 10.2) | 13NH, 14 | 14, 17, 19 | 15a, 17, 18 | |
NH 6.82, d (9.8) | 13 | 12, 13, 19 | 11, 14, 22 | |||
14 | 35.8 | 1.55, m | 13, 15b, 17 | 13NH | ||
15 | 25.1 | a1.04, ddq (13.8, 7.8, 7.2) | 15b, 16 | 13, 16, 17 | 13 | |
b1.42, m | 14, 15a, 16 | 14 | ||||
16 | 11.1 | 0.838, t (6.3) | 15a, 15b | 15 | ||
17 | 15.6 | 0.85, d (6.0) | 14 | 13, 14, 15 | 12, 13 | |
18 | 13.8 | 0.95, d (6.8) | 11 | 10, 11, 12 | 12, 13 | |
MoCys1 | 19 | 173.1 | ||||
20 | 84.6 | |||||
21 | 41.0 | a3.19, d (11.4) | 21b | 19, 20, 22, 23 | 22 | |
b3.81, d (11.4) | 21a | 19, 20, 22, 23 | 22 | |||
22 | 25.4 | 1.54, s | 19, 20, 21 | 21a, 21b, 13NH | ||
MoCys2 | 23 | 175.8 | ||||
24 | 83.3 | |||||
25 | 42.6 | a3.46, d (11.2) | 25b | 23, 24, 26, 27 | 26 | |
b3.51, d (11.0) | 25a | 23, 24, 26 | ||||
26 | 24.1 | 1.63, s | 23, 24, 25 | 25a | ||
MoCys3 | 27 | 162.1 | ||||
28 | 147.4 | |||||
29 | 122.4 | 8.01, s | 27, 28, 30 | |||
Dmetua | 30 | 168.3 | ||||
31 | 33.1 | a2.92, dd (15.8, 2.0) | 31b, 32 | 30 | 34, 43 | |
b2.99, dd (15.8, 9.2) | 31a, 32 | 30, 32 | 43 | |||
32 | 79.5 | 3.80, m | 31a, 31b, 33 | 30, 43, 44 | 43 | |
33 | 35.7 | 2.34, m | 32, 34, 43 | 32, 24 | 35, 44 | |
34 | 75.2 | 5.18, d (9.8) | 33, 35 | 1, 32, 33, 35, 36, 42 | 31a, 36, 43 | |
35 | 38.5 | 1.70, dq (7.8, 7.2) | 34, 36, 42 | 33, 36, 42 | 33, 41, 43 | |
36 | 72.1 | 3.18, dd (10.2, 1.4) | 35, 37 | 34, 38, 41 | 34, 38b, 42 | |
37 | 33.6 | 1.48, m | 36, 38a, 38b, 41 | 38, 39 | 42 | |
38 | 36.6 | a1.15, m | 37, 39 | 36, 37, 39, 40, 41 | ||
b1.26, m | 37 | 37, 39, 40, 41 | 36 | |||
39 | 19.9 | 1.25, m | 38a, 40 | 38 | ||
40 | 14.3 | 0.835, t (6.8) | 39 | 39 | ||
41 | 11.9 | 0.72, d (6.6) | 37 | 36, 37, 38 | 35 | |
42 | 10.0 | 0.82, d (6.8) | 35 | 35, 36 | 36, 37 | |
43 | 10.8 | 0.838, d (6.3) | 33 | 32, 33, 34 | 31a, 31b, 32, 34, 35 | |
44 | 56.7 | 3.23, s | 32 | 33 |
Recorded at 125 MHz.
Recorded at 500 MHz.