TABLE V.

J-coupling constants (Hz) for Gly₃, Ala₃, Val₃, and Ala₄ (∖: No experimental values).

			3J(HN, Hα)	3J(HN, C′)	3J(Hα, C′)	3J(C′, C′)	3J(HN, Cβ)	1J(N, Cα)	2J(N, Cα)	3J(HN, Cα)
Gly3	Residue 2	CHARMM-NN	6.04	0.48	4.28	0.76	2.26	11.02	7.79	0.61
		Exp.	5.89	1.10	4.01	0.26	∖	12.17	10.45	0.78
	Residue 3	CHARMM-NN	6.04	0.48	4.25	0.77	2.28	11.18	7.67	0.59
		Exp.	5.87	0.99	3.90	∖	∖	12.77	9.05	0.61
Ala3	Residue 2	CHARMM-NN	6.69	1.63	2.66	0.91	1.56	10.44	7.14	0.48
		Exp.	5.68	1.13	1.84	0.25	2.39	11.34	9.14	0.70
	Residue 3	CHARMM-NN	6.88	1.66	2.60	0.96	1.53	10.48	7.05	0.49
		Exp.	6.52	1.29	2.14	∖	2.02	11.47	8.45	0.65
Val3	Residue 2	CHARMM-NN	8.34	3.04	2.45	1.86	0.56	9.62	6.88	0.58
		Exp.	7.94	0.58	2.42	0.34	1.38	10.80	8.35	0.77
	Residue 3	CHARMM-NN	3.59	3.39	3.55	1.01	0.54	11.06	7.24	0.16
		Exp.	7.91	1.01	2.45	∖	1.40	11.02	7.80	0.75
Ala4	Residue 2	CHARMM-NN	6.45	1.57	2.73	0.87	1.63	10.47	7.11	0.46
		Exp.	5.62	1.15	1.87	0.19	2.36	11.39	9.17	0.68
	Residue 3	CHARMM-NN	6.57	1.53	2.69	0.86	1.64	10.40	7.14	0.48
		Exp.	5.89	1.11	1.95	∖	2.24	11.33	8.56	0.60
	Residue 4	CHARMM-NN	6.90	1.62	2.72	0.95	1.52	10.44	6.97	0.48
		Exp.	6.56	1.26	2.24	∖	1.99	11.53	8.37	0.60