Table 1.
Residue | Position | δC | δH, mult., J (Hz) | HMBCa |
---|---|---|---|---|
Map | 1 | 172.8 | ||
2 | 42.7 | 2.76, qd (7.0, 1.6) | 1, 3 | |
3 | 51.4 | 4.52, m | ||
4 (NH) | 7.07, d (10.1) | 3, 8 | ||
5 | 10.0 | 1.10, d (7.0) | 1, 2, 3 | |
6 | 26.3 | 1.56, m;1.48, m | 2, 3, 7 | |
7 | 11.2 | 0.93, t (7.4) | 3, 6 | |
Ala | 8 | 173.0 | ||
9 | 48.5 | 4.45, m | 8, 11 | |
10 (NH) | 7.76, d (7.9) | 9, 11, 12 | ||
11 | 15.7 | 1.07, d (7.9) | 8, 9 | |
Ibu | 12 | 172.3 | ||
13 | 55.1 | |||
14 | 210.3 | |||
15 | 52.0 | 4.92, m | 14, 19 | |
16 (NH) | 7.32, d (6.4) | 14, 15, 20 | ||
17 | 22.5 | 1.53, s | 12, 13, 14, 18 | |
18 | 21.7 | 1.48, s | 12, 13, 14, 17 | |
19 | 19.3 | 1.16, d (6.8) | 14, 15 | |
N-Me Phe | 20 | 168.0 | ||
21 | 61.0 | 5.23, m | 20, 23, 24, 30 | |
22 (N) | ||||
23 | 35.7 | 3.31, dd (14.0, 6.3) | 20, 21, 24, 25/29 | |
2.89, dd (14.0, 8.2) | ||||
24 | 137.0 | |||
25/29 | 129.7 | 7.25, m | 23, 24, 26/28, 27 | |
26/28 | 129.0 | 7.28, m | 24, 25/29 | |
27 | 127.2 | 7.20, t (6.9) | 25/29 | |
30 | 29.5 | 2.99, s | 21, 31 | |
N-MeVal | 31 | 170.4 | ||
32 | 58.3 | 4.79, d (10.6) | 31, 34, 35, 36, 37, 38 | |
33 (N) | ||||
34 | 27.3 | 2.22, m | 32, 35, 36 | |
35 | 18.7 | 0.33, d (6.4) | 32, 34, 36 | |
36 | 18.6 | 0.74, d (6.5) | 32, 34, 35 | |
37 | 29.5 | 2.97, s | 32, 38 | |
Gly | 38 | 169.5 | ||
39 | 40.8 | 4.62, dd (17.6, 7.9) | 38, 41 | |
3.47, d (17.6) | ||||
40 (NH) | 7.58 d (7.9) | 41 | ||
N-MeIle | 41 | 171.3 | ||
42 | 61.4 | 4.91, m | 41, 44, 45, 47, 48, 49 | |
43 (N) | ||||
44 | 33.0 | 2.11, m | ||
45 | 25.2 | 1.46, m;1.11, m | 44 | |
46 | 10.3 | 0.89, m | 44, 45 | |
47 | 15.8 | 1.03, d (7.3) | 42, 44, 45 | |
48 | 30.6 | 3.22, s | 42, 49 | |
Gly | 49 | 170.2 | ||
50 | 41.0 | 4.44, m | 49, 52 | |
3.57, dd (15.9, 4.6) | ||||
51 (NH) | 7.36, t (5.5) | 49, 50 | ||
Hmpa | 52 | 170.7 | ||
53 | 78.6 | 5.21, m | 1, 52, 54, 55, 57 | |
54 | 37.6 | 2.07, m | ||
55 | 24.0 | 1.47, m;1.24, m | 53, 54, 56 | |
56 | 11.9 | 0.90, m | 54, 55 | |
57 | 15.4 | 0.90, m | 53, 54 |
Proton showing correlation to indicated carbon resonance.