Table 1.

NMR data for corticiamide A (1) in DMSO-d₆ (600 MHz).

position	δCa	δH (J in Hz)	HMBC	position	δCa	δH (J in Hz)	HMBC
Alanine				Cysteic Acid
α	47.1	4.29 m	β, C=O	α	51.6	4.60 m	β, C=O
β	19.2	0.91 d (6.0)	α, C=O	β	53.0	2.89 m, 2.95 m	α
NH		8.14	CHO	NH		8.34 br s
C=O	172.0			C=O	171.7
CHO	161.2	7.89 br s	α	Threonine (1)
p-Bromophenylalanine (1)				α	53.0	4.86 d (8.6)
α	52.1	4.67 m	β, γ, C=O	β	69.2	5.22 m	Gly-C=O
β	36.9	2.65 m 2.90 m	γ, δ	γ	17.1	1.06 d (5.0)	α, β
γ	137.7			NH		7.86 br s
δ, δ′	132.3	7.19 d (8.1)	β, δ′,δ, ζ	C=O	169.4
ε,ε′	131.4	7.38 d (8.1)	γ, ε′,ε, ζ	N-Methylglutamine
ζ	120.2			α	54.9	4.93 m	β, γ
NH		8.39 d (8.7)	Ala-C=O	β	25.4	1.55 m
C=O	170.1			γ	32.0	1.76 m	δC=O
Proline				δC=O	174.0
α	60.0	4.53 d (6.6)	α, β, C=O	δNH2		6.67 br s, (7.1)
β	30.5	2.06 m	γ	NMe	30.5	2.93 br s	α, Thr(1)-C=O
γ	25.0	1.83 m	δ	C=O	169.4
δ	47.4	3.62 br s	β, γ	p-Bromophenylalanine (2)
C=O	171.8			α	53.0	4.73 m	β, γ C=O
β-Methylisoleucine				β	38.8	2.73 m, 3.01 m
α	58.9	4.40 d (8.2)	β, γ, δ, C=O	γ	137.6
β	37.5			δ, δ′	132.5	7.25 d (8.1)	β, δ, ε, ε, ζ
γ	31.8	1.19 m	α, β, ε	ε, ε′	131.4	7.40 d (8.1)	γ, ε′, ζ
δ	23.8	0.82 s		ζ	120.2
δ	23.8	0.83 s	α, β, γ, ε	NH		7.94 br d (8.2)	N-MeGln-C=O
ε	8.7	0.75 t (6.8)	β, γ, δ	C=O	173.2
NH		7.80 br s		Threonine (2)
C=O	171.2			α	54.7	4.75 m	C=O, pBrPhe-C=O
Valine				β	67.4	3.88 m	α
α	58.8	4.12 br t (6.7)	β, γ, C=O	γ	20.3	1.01 d (5.1)	α, β
β	30.9	1.81 m	γ	OH		4.29	α, β, γ
γ	18.5	0.57 d (6.0)	α, β, γ	NH		9.18 d (5.6)	pBrPhe C=O
γ	19.7	0.58 d (6.0)	α, β, γ	C=O	171.3
NH		7.84		N-Methylasparagine
C=O	173.4			α	56.7	5.36 m	C=O, β, γC=O
Tryptophan				β	35.1	2.34 m, 2.84 m	C=O, γC=O
α	61.5	4.63 m		γC=O	171.5
β	26.7	2.92 m, 3.11 m	2, 4	γNH2
ε′ NH		10.72 br s	3, 4	NMe	29.2	2.60 br s	α, β, Thr(2)-C=O
2	125.0	7.12 br s	3, 4, 9	C=O	169.2
3	110.5			Glycine
3a	127.8			α	40.5	3.39 m, 4.26 m	C=O
4	119.1	7.59 d (8.1)	3, 7, 9	NH		8.18 br d (7.7)
5	118.8	6.95 m	4, 8	C=O	169.0
6	121.5	7.02 m	5, 9
7	111.8	7.31 d (8.1)	4, 6
7a	136.7
NH		8.12 d (7.7)
C=O	172.0
Arginine
α	52.4	4.31 m
β	32.1	1.59 m
γ	28.6	1.28 m
δ	40.7	2.93 m
εNH		7.48 br s	φC
φC	155.5
φNH2		6.93 m, 6.95 m	φC, γ
NH		8.00 br s
C=O	171.4

^aAssignments are from gHMBC, gHSQC, and TOCSY spectra.