Table 1.
Amino Acid |
Position | Major Rotamer |
Minor Rotamer |
||
---|---|---|---|---|---|
δH (J in Hz) | δC | δH (J in Hz) | δC | ||
d-PhSar | 1 | 169.2 | 169.5 | ||
2 | 6.65, m | 61.2 | 6.05, m | 62.5 | |
3 | 134.2 | 133.3 | |||
4 (8) | 7.35, m | 128.9 | 7.35, m | 128.9 | |
5 (7) | 7.33, m | 128.5 | 7.33, m | 128.5 | |
6 | 7.21, m | 128.2 | 7.21, m | 128.2 | |
9 | 2.99, s | 32.6 | 2.94, s | 33.4 | |
l-Ala | 10 | 171.9 | 172.3 | ||
11 | 5.14, t (6.0) | 46.2 | 5.11, t (6.0) | 46.2 | |
12 | 1.37, d (6.6) | 18.3 | 1.29, d (6.0) | 18.5 | |
11-NH | 8.22, d (10.8) | 7.74, d (6.0) | |||
l-DiMeLeu | 13 | 168.6 | 167.5 | ||
14 | 3.68, d (7.2) | 63.2 | 4.17, d (4.8) | 62.2 | |
15 | 2.11, t (7.8) | 36.6 | 2.23, m | 35.3 | |
16 | 0.62, d (6.6) | 8.6 | 0.65, d (6.6) | 8.4 | |
17 | 1.05, m | 27.2 | 1.05, m | 27.2 | |
18 | 0.51, brs | 14.7 | 0.51, brs | 15.9 | |
19 | 0.72, brs | 21.7 | 0.44, brs | 21.7 | |
20 | 2.96, s | 29.2 | 2.88, s | 28.5 | |
Sar | 21 | 167.7 | 168.4 | ||
22 | 3.49, d (14.4) | 51.2 | 3.61, d (17.4) | 51.3 | |
5.21, d (14.4) | 6.47, d (15.6) | ||||
23 | 3.23, s | 31.2 | 3.09, s | 36.9 | |
d-Hyp | 24 | 173.6 | 172.9 | ||
25 | 5.31, brs | 55.7 | 4.87, m | 56.5 | |
26 | 1.98, d (13.8) | 35.5 | 2.19, m | 35.3 | |
2.43, t (10.8) | |||||
27 | 4.47, brs | 71.9 | 4.55, m | 70.6 | |
28 | 3.74, d (10.8) | 56.2 | 3.68, d (10.8) | 58.5 | |
3.87, d (10.8) | 4.11, dd (6.0) | ||||
27-OH | 6.35, brd (9.6) | 6.66, brd (11.4) | |||
d-Leu | 29 | 170.4 | 173.2 | ||
30 | 4.77, m | 48.7 | 4.93, dd (7.2) | 49.4 | |
31 | 1.35, m | 40.8 | 1.42, m | 43.1 | |
32 | 1.60, m | 24.5 | 1.53, m | 24.6 | |
33 | 1.06, d (6.6) | 21.2 | 0.97, d (6.0) | 21.9 | |
34 | 0.86, d (6.6) | 23.3 | 0.88, d (7.2) | 23.3 | |
30-NH | 6.76, d (9.6) | 7.20, m | |||
d-Thr | 35 | 167.5 | 167.1 | ||
36 | 4.87, m | 55.4 | 4.87, m | 55.4 | |
37 | 5.85, brs | 71.7 | 5.85, brs | 70.8 | |
38 | 1.35, m | 17.2 | 1.21, d (2.4) | 16.2 | |
36-NH | 8.51, brs | 8.58, brs | |||
3HyPic | 39 | 167.0 | 166.5 | ||
40 | 130.1 | 130.1 | |||
41 | 157.9 | 157.9 | |||
42 | 7.40, m | 126.7 | 7.40, m | 126.7 | |
43 | 7.46, m | 129.5 | 7.46, m | 129.5 | |
44 | 8.31, brs | 141.3 | 8.17, d (3.6) | 140.3 | |
41-OH | 11.62, s | 11.57, s |