Table 1.

¹H and ¹³C NMR Spectroscopic Data of Samoamide A (1) in CDCl₃^a

residue	position	δC, type	δH, mult (J, Hz)	TOCSY
Leu	1	170.55, C
	2	50.2, CH	4.80 t (10.3)	3–6, Leu-NH
	3	41.2, CH2	1.94 m, 1.37 m	2, 4–6, Leu-NH
	4	25.6, CH	1.73 m	2, 3, 5, 6, Leu-NH
	5	22.3, CH3	1.03 d (6.6)	2–4, 6, Leu-NH
	6	23.6, CH3	0.98 d (6.6)	2–5, Leu-NH
	NH		7.59 d (6.8)	2–6
Val	7	170.64, C
	8	59.3, CH	4.39 m	9–11, Val-NH
	9	32.1, CH	1.91 m	8, 10, 11, Val-NH
	10	18.8, CH3	1.00 d (6.1)	8, 9, 11, Val-NH
	11	19.2, CH3	1.02 d (6.1)	8–10, Val-NH
	NH		7.81 d (8.4)	8–11
Phe-1	12	171.1, C
	13	60.4, CH	4.00 m	14, Phe-1-NH
	14	35.5, CH2	3.64 m, 3.25 m	13, Phe-1-NH
	15	137.6, C
	16, 20	129.3, CH	7.16 d (7.4)	17–19
	17, 19	129.1b, CH	7.31 mb	16, 18, 20
	18	127.3b, CH	7.23 mb	16, 17, 19, 20
	NH		5.81 d (5.8)	13, 14
Pro-1	21	172.7, C
	22	62.7, CH	3.66 m	23–25
	23	29.9, CH2	2.02 m, 1.88 m	22, 24, 25
	24	25.1, CH2	2.09 m, 1.97 m	22, 23, 25
	25	48.8, CH2	3.93 m, 3.68 m	22–24
Ile	26	173.1, C
	27	54.9, CH	4.68 m	28–31, Ile-NH
	28	38.1, CH	1.71 m	27, 29-3, Ile-NH
	29	24.3, CH2	1.61 m, 1.17 m	27, 28, 30, 31, Ile-NH
	30	10.9, CH3	0.90 d (6.5)	27–29, 31, Ile-NH
	31	15.6, CH3	0.88 d (5.9)	27–30, Ile-NH
	NH		7.67 d (9.7)	27–30
Phe-2	32	171.9, C
	33	57.9, CH	4.49 m	34, Phe-2-NH
	34	38.5, CH2	3.39 dd (13.9, 2.6), 2.99 m	33, Phe-2-NH
	35	136.9, C
	36, 40	128.9, CH	7.18 d (7.7)	37–39
	37, 39	128.8b, CH	7.30 mb	36, 38, 40
	38	127.2b, CH	7.24 mb	36, 37, 39, 40
	NH		7.60 d (6.6)	33, 34
Pro-2	41	170.8, C
	42	60.9, CH	4.12 m	43–45
	43	31.8, CH2	2.18 m, 1.82 m	42, 44, 45
	44	21.3, CH2	1.48 m, 0.58 m	42, 43, 45
	45	46.7, CH2	3.23 m, 3.00 m	42–44
Pro-3	46	170.4, C
	47	59.3, CH	4.10 m	48–50
	48	28.5, CH2	1.96 m, 1.76 m	47, 49, 50
	49	25.3, CH2	2.16 m, 1.81 m	47, 48, 50
	50	47.4, CH2	3.70 m, 3.48 m	47–49

^aData recorded at 298 K, 600 MHz (¹H) and 150 MHz (¹³C). Assignments supported by 2D NMR experiments.

^bSignals partially overlapped and may be interchanged.