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. 2019 Oct 30;9(11):672. doi: 10.3390/biom9110672

Table 2.

1H and 13C NMR data for 6 in pyridine-d5.

Position δCa, Type δHb, Mult (J in Hz) Position δCa, Type δHb, Mult (J in Hz)
Val-1 1 174.3, C Val-6 38 173.1, C
2 58.4, CH 4.65, dd (8.5, 8.0) 39 54.4, CH 4.96, dd (9.0, 8.5)
2-NH 9.26, d (8.5) 39-NH 9.36, d (8.5)
3 33.0, CH 2.22, m 40 32.0, CH 2.39, mc
4 19.0, CH3 0.92, mc 41 19.3, CH3 1.12, mc
5 18.9, CH3 1.12, mc 42 19.3, CH3 1.02, mc
β-OH-Phe-2 6 172.7, C N-Me-Leu-7 43 171.6, C
7 60.1, CH 5.50, mc 44 54.8, CH 5.61, mc
7-NH 9.73, br s 45a 38.9, CH2 1.73, mc
8 73.3, CH 5.92, mc 45b 1.50, mc
9 143.0, C 46 25.1, CH 1.36, mc
10 127.0, CH 7.65, mc 47 23.3, CH3 0.63, d (6.0)
11 128.6, CH 7.38, mc 48 22.0, CH3 0.59, d (6.0)
12 127.6, CH 7.24, mc 49 31.4, CH3 3.49, s
13 128.6, CH 7.38, mc Val-8 50 173.5, C
14 127.0, CH 7.65, mc 51 55.7, CH 5.27, dd (8.5, 8.0)
Val-3 15 174.4, C 51-NH 8.08, d (8.5)
16 58.5, CH 5.43, dd (9.5, 9.0) 52 31.2, CH 2.55, mc
16-NH 8.15, d (9.5) 53 19.3, CH3 1.19, mc
17 33.1, CH 2.68, m 54 19.3, CH3 1.14, mc
18 20.2, CH3 1.22, mc N-Me-Thr-9 55 170.6, C
19 19.8, CH3 1.35, d (6.0) 56 62.5, CH 5.60, d (3.5)
N-Me-Trp-4 20 169.4, C 57 66.5, CH 5.06, m
21 70.7, CH 4.21, d (10.5, 3.0) 58 20.5, CH3 1.32, d (6.0)
22a 25.1, CH2 4.40, mc 59 34.7, CH3 3.71, s
22b 4.30, dd (15.0, 3.0) Thr-10 60 171.4, C
23 113.1, C 61 52.6, CH 5.92, m
24 124.5, CH 7.35, mc 61-NH 10.29, d (8.5)
24-NH 11.87, br s 62 69.8, CH 6.09, m
25 137.8, C 63 16.8, CH3 1.56, d (6.5)
26 127.0, CH 7.65, d (7.5) Val-11 64 172.6, C
27 128.7, CH 7.38, mc 65 59.2, CH 5.23, m
28 119.0, CH 7.24, mc 65-NH 9.96, d (8.5)
29 119.4, CH 7.86, d (7.5) 66 31.4, CH 2.25, m
30 128.5, C 67 19.0, CH3 0.92, mc
31 41.0, CH3 2.46, s 68 19.0, CH3 0.92, mc
N-Me-Val-5 32 169.5, C N-Me-Val-12 69 168.0, C
33 71.1, CH 3.28, d (7.0) 70 67.8, CH 4.37, mc
34 29.3, CH 3.06, m 71 30.9, CH 2.65, mc
35 22.0, CH3 1.25, mc 72 19.3, CH3
36 19.7, CH3 1.05, mc 73 18.5, CH3 1.20, mc
37 40.0, CH3 3.19, s 74 32.3, CH3 2.99, s

a 850 MHz, b 212.5 MHz, c overlapped.