Table 3.
Amino Acid |
Position | Major Rotamer |
Minor Rotamer |
||
---|---|---|---|---|---|
δH (J in Hz) | δC | δH (J in Hz) | δC | ||
d-PhSar | 1 | 168.3 | 168.4 | ||
2 | 6.29, s | 60.2 | 6.37, s | 59.9 | |
3 | 131.2 | 131.4 | |||
4 (8) | 7.49, m | 129.5 | 7.49, m | 129.3 | |
5 (7) | 7.42, m | 129.0 | 7.42, m | 129.0 | |
6 | 7.31, m | 126.3 | 7.32, m | 126.3 | |
9 | 2.93, s | 31.4 | 2.98, s | 31.1 | |
l-Ser | 10 | 170.5 | 171.6 | ||
11 | 5.08, m | 52.6 | 5.27, m | 52.5 | |
12 | 3.82, m | 62.5 | 3.78, m | 63.3 | |
3.93, m | 4.11, m | ||||
11-NH | 7.29, m | 7.74, d (9.0) | |||
12-OH | 4.89, m | 4.98, m | |||
l-DiMeLeu | 13 | 169.2 | 168.6 | ||
14 | 5.10, d (10.8) | 58.7 | 3.87, m | 62.8 | |
15 | 2.20, m | 34.3 | 2.27, m | 36.5 | |
16 | 0.64, d (6.6) | 8.4 | 0.78, d (6.6) | 8.7 | |
17 | 2.02, m | 27.9 | 1.63, m | 27.4 | |
18 | 0.96, m | 21.7 | 0.95, m | 21.7 | |
19 | 0.80, d (6.6) | 15.6 | 0.81, m | 15.2 | |
20 | 2.87, s | 29.3 | 2.96, s | 29.6 | |
Sar | 21 | 167.3 | 167.9 | ||
22 | 3.96, d (18.0) | 52.1 | 3.80, d (14.4) | 52.3 | |
5.09, m | 5.93, d (17.4) | ||||
23 | 2.93, s | 35.6 | 3.03, s | 36.9 | |
d-Hyp | 24 | 173.8 | 173.8 | ||
25 | 5.17, d (9.0) | 54.1 | 4.81, m | 56.3 | |
26 | 2.03, d (14.4) | 37.6 | 2.14, m | 37.6 | |
2.16, m | 2.19, m | ||||
27 | 4.54, m | 71.3 | 4.49, m | 71.6 | |
28 | 3.75, d (11.4) | 58.0 | 3.68, d (12.0) | 58.1 | |
4.36, dd (6.0) | 3.95, m | ||||
27-OH | 6.44, brd (10.2) | 6.57, brd (10.8) | |||
d-Leu | 29 | 173.4 | 174.0 | ||
30 | 4.90, m | 49.7 | 5.01, m | 49.3 | |
31 | 1.48, m | 39.7 | 2.43, t (12.0) | 38.7 | |
2.19, m | 1.41,m | ||||
32 | 1.86, m | 24.6 | 1.92, m | 27.1 | |
33 | 0.97, d (7.2) | 21.7 | 1.00, d (6.6) | 20.7 | |
34 | 1.05, d (7.2) | 23.3 | 1.03, d (7.2) | 23.3 | |
30-NH | 7.59, d (9.0) | 7.66, d (9.0) | |||
l-Thr | 35 | 166.8 | 167.3 | ||
36 | 4.85, m | 53.6 | 5.01, m | 53.2 | |
37 | 5.35, m | 69.7 | 5.45, m | 69.5 | |
38 | 1.21, d (6.6) | 13.6 | 1.23, d (6.6) | 13.6 | |
36-NH | 8.96, d (6.6) | 9.04, d (6.0) | |||
3HyPic | 39 | 167.1 | 167.3 | ||
40 | 131.0 | 131.0 | |||
41 | 157.5 | 157.5 | |||
42 | 7.27, m | 125.8 | 7.27, m | 125.8 | |
43 | 7.32, m | 128.6 | 7.33, m | 128.6 | |
44 | 8.08, d (3.6) | 139.9 | 8.11, d (3.6) | 140.0 | |
41-OH | 11.8, brs | 11.6, brs |