|
AA
|
Position
|
Mult
|
δC
|
δH (J in Hz)
|
|---|
|
L-Ala
|
1
|
CO
|
172.6
|
–
|
|
2
|
CH
|
48.4
|
4.22 m
|
|
3
|
CH3
|
17.8
|
1.20 d (7.1)
|
| |
NH
|
–
|
7.89 br d (6.9)
|
|
L-Glu
|
1
|
CO
|
171.3
|
–
|
|
2
|
CH
|
52.5
|
4.19 m
|
|
3
|
CH2
|
26.7
|
1.75 m, 1.93 m
|
|
4
|
CH2
|
30.3
|
2.22 m, 2.22 m
|
|
5
|
COOH
|
174.4
|
–
|
| |
NH
|
–
|
8.18 d (7.2)
|
|
L-Asn
|
1
|
CO
|
171.1
|
–
|
|
2
|
CH
|
49.6
|
4.50 dt (7.4, 5.6)
|
|
3
|
CH2
|
36.8
|
2.65 dd (15.5, 5.6), 2.73dd (15.5, 5.6)
|
|
4
|
CONH2
|
172.3
|
–
|
| |
NH
|
–
|
8.12 br d (7.4)
|
| |
CONH2
|
–
|
7.03 br s, 7.54br s
|
|
L-Ser
|
1
|
CO
|
170.2a
| |
|
2
|
CH
|
57.0
|
4.11 q (5.4)
|
|
3
|
CH2
|
60.9
|
3.68 m, 3.68 m
|
| |
NH
|
–
|
8.15 br s
|
|
L-Ser
|
1
|
CO
|
170.1a
| |
|
2
|
CH
|
56.3
|
4.27 m
|
|
3
|
CH2
|
61.2
|
3.64 m, 3.64 m
|
| |
NH
|
–
|
8.21 br s
|
|
L-Ser
|
1
|
CO
|
170.1a
|
–
|
|
2
|
CH
|
55.1
|
4.36 dt (7.8, 5.6)
|
|
3
|
CH2
|
61.8
|
3.65 m, 3.65 m
|
| |
NH
|
–
|
7.75br d (7.8)
|
|
D-allo-Thr
|
1
|
CO
|
170.0a
|
–
|
|
2
|
CH
|
58.4
|
4.25 m
|
|
3
|
CH
|
66.5
|
3.93 m
|
|
4
|
CH3
|
19.6
|
1.07 d (6.3)
|
| |
NH
|
–
|
7.93br d (8.8)
|
|
Gly
|
1
|
CO
|
168.8
|
–
|
|
2
|
CH2
|
40.9
|
3.78dd (17.3, 5.5), 3.87dd (17.3, 5.5)
|
| |
NH
|
–
|
7.96br t (5.5)
|
|
HMHDA
|
1
|
CO
|
169.4
|
–
|
|
2
|
CH2
|
36.9
|
2.32 m, 2.35 m
|
|
3
|
CH
|
75.4
|
5.04 m
|
|
4
|
CH
|
35.8
|
1.71 m
|
|
5
|
CH2
|
31.7
|
1.03 m, 1.33 m
|
|
6
|
CH2
|
26.4
|
1.22 m, 1.31 m
|
|
7–13
|
CH2
|
28.7–29.2
|
1.22 m–1.28 m
|
|
14
|
CH2
|
31.3
|
1.24 m, 1.24 m
|
|
15
|
CH2
|
22.1
|
1.24 m, 1.29 m
|
|
16
|
CH3
|
13.9
|
0.86 t (6.6)
|
|
17
|
CH3
|
14.6
|
0.83 d (6.6)
|
- aAssignments based on COSY, HSQCED and HMBC. 1H (400 MHz) and 13C NMR (100 MHz) data were referenced to DMSO-d6 (δΗ 2.49 and δC 39.50). Chemical shifts (δ) in ppm. s: singlet; d: doublet. q: quartet; m: multiplet; br: broad; Chemical shifts (δ) in ppm. bAssignments are interchangeable
