. 2014 May 12;12(5):2760–2770. doi: 10.3390/md12052760

Table 1.

¹³C (150 MHz) and ¹H (600 MHz) NMR assignments for chujamides A and B in MeOH-d₄ and MeOH-d₃ ^a.

A. A. unit	Position	chujamide A		chujamide B
A. A. unit	Position	δ_C	δ_H (J in Hz)	δ_C	δ_H (J in Hz)
Cys 1	1	176.7, C		176.9, C
	2	60.1, CH	4.71, dd (11.4, 2.4)	60.3, CH	4.71, dd (11.4, 2.4)
	3	43.0, CH₂	3.45, m	43.0, CH₂	3.47, m
			2.55, m		2.58, m
	2-NH ^a		7.81, d (9.6)		8.50, bs
Ile 2	4	172.4, C		173.6, C
	5	59.1, CH	4.82, d (3.6)	59.2, CH	4.82, m
	6	37.7, CH	2.34, m	38.0, CH	2.32, m
	7	16.1, CH₃	0.84, d (6.6)	16.1, CH₃	0.83, d (6.6)
	8	25.2, CH₂	1.54, m	25.4, CH₂	1.55, m
			0.94, m		0.95, m
	9	12.2 CH₃	0.90, t (6.6)	12.2, CH₃	0.90, t (6.6)
	5-NH ^a		7.52, d (10.2)		7.67, bs
Pro 3	10	174.6, C		173.4, C
	11	61.9, CH	5.24, d (7.8)	61.5, CH	5.25, m
	12	26.8, CH₂	2.53, m	27.0, CH₂	2.48, m
			1.72, m		1.73, m
	13	26.2, CH₂	2.15, m	26.3, CH₂	2.13, m
			1.97, m		1.93, m
	14	48.3, CH₂	3.81, m	48.3, CH₂	3.80, m
			3.63, dd (8.4, 8.4)		3.64, m
Leu	15	176.4, C		176.5, C
	16	51.7, CH	4.50, dd (12.0, 1.8)	51.6, CH	4.51, dd (12.0, 1.8)
	17	41.4, CH₂	1.73, m	41.6, CH₂	1.72, m
			1.40, m		1.34, m
	18	25.9, CH	1.71, m	26.0, CH	1.70, m
	19	20.5, CH₃	0.97, d (6.6)	20.5, CH₃	0.97, d (6.6)
	20	24.0, CH₃	0.99, d (6.6)	24.0, CH₃	0.98, d (6.6)
	16-NH ^a		7.78, d (4.8)		7.77, d (4.8)
Phe	21	173.7, C		173.7, C
	22	56.3, CH	4.46, dd (12.0, 4.8)	56.4, CH	4.46, dd (12.0, 4.8)
	23	33.8, CH₂	3.41, m	33.9, CH₂	3.41, m
			3.01, m		3.00, m
	24	140.2, C		140.3, C
	25/29	131.1, CH	7.27, dd (7.2, 1.8)	131.2, CH	7.27, dd (7.2, 1.8)
	26/28	129.1, CH	7.14, m	129.1, CH	7.14, m
	27	127.3, CH	7.14, m	127.3, CH	7.14, m
	22-NH ^a		8.79, d (7.2)		8.80, d (7.2)
Pro 6	30	171.9, C		171.9, C
	31	62.5, CH	4.17, d (7.8)	62.5, CH	4.15, d (7.8)
	32	30.3, CH₂	2.55, m	30.3, CH₂	2.54, m
			1.97, m		1.99, m
	33	23.1, CH₂	1.97, m	23.1,CH₂	1.90, m
			1.60, m		1.62, m
	34	47.8, CH₂	3.50, m	47.8, CH₂	3.50, m
			3.44, m		3.44, m
Pro 7	35	172.0, C		172.1, C
	36	59.9, CH	2.99, m	59.9, CH	2.99, m
	37	29.4, CH₂	2.00, m	29.4, CH₂	2.01, m
			1.61, m		1.62, m
	38	26.0, CH₂	2.00, m	25.9, CH₂	2.01, m
			1.94, m		1.93, m
	39	48.8, CH₂	3.61, m	48.7, CH₂	3.61, m
			3.53, m		3.53, m
Tyr	40	171.2, C		171.3, C
	41	52.7, CH	4.85, t (6.0)	52.6, CH	4.84, t (6.0)
	42	36.9, CH₂	3.00, m	37.0, CH₂	3.01, m
			2.74, dd (14.4, 6.0)		2.75, m
	43	127.2, C		127.4, C
	44/48	132.1, CH	6.98, d (8.4)	132.1, CH	6.98, d (8.4)
	45/47	116.1, CH	6.71, d (8.4)	116.3, CH	6.70, d (8.4)
	46	157.7, C		157.7, C
	41-NH ^a		7.05, d (7.2)		7.11, m
Pro 9	49	172.5, C		172.4, C
	50	62.2, CH	4.68, d (8.4)	62.2, CH	4.69, d (8.4)
	51	28.7, CH₂	2.32, m	28.6, CH₂	2.32, m
			2.00, m		2.00, m
	52	25.7, CH₂	2.09, m	25.7, CH₂	2.09, m
			1.80, m		1.80, m
	53	48.6, CH₂	3.87, m	48.6, CH₂	3.87, m
			3.73, m		3.73, m
Cys 10	54	172.7, C		172.7, C
	55	51.2, CH	4.77, dd (12.0, 2.4)	51.5, CH	4.76, ddd (12.0, 2.4, 2.4)
	56	40.3, CH₂	3.09, m	40.5, CH₂	3.08, m
			2.77, dd (14.4, 3.0)		2.73, m
	55-NH ^a		8.58, d (4.8)		8.27, bs
Ile 11	57	174.3, C		174.3, C
	58	59.7, CH	4.01, d (10.2)	60.0, CH	3.95, m
	59	37.2, CH	1.72, m	37.2, CH	1.72, m
	60	15.8, CH₃	0.93, d (6.6)	15.8, CH₃	0.93, d (6.6)
	61	26.7, CH₂	1.55, m	26.8, CH₂	1.55, m
			1.18, m		1.17, m
	62	10.7, CH₃	0.86, t (6.6)	10.8, CH₃	0.86, t (6.6)
	58-NH ^a		8.73, d (6.6)
Gly	63	169.4, C
	64	41.8, CH₂	3.57, m
			3.55, m

^a Amide protons were observed in the spectra obtained in MeOH-d₃ solution; A. A.: Amino Acid.