Table 2.

Repeating blocks of data for REDCRAFT input (format left, example right).

AA type	3JHN-Hα	Comments	GLY	15.792	Peak 52
DC-N	ε C-N		1.745	2
DN-HN	ε N-HN		3.715	1
DC-H	ε C-H		−8.034	1.333
DCα-Hα	ε Cα-Hα		−30.35	1	Sum of Ds
DHα-HN	ε Hα-HN		5.985	0.888	Sum of Ds
DHα(i-1)-HN	ε Hα(i-1)-HN		−1.075	1.333
AA type	3JHN-Hα	Comments	ALA	4.2581	Peak 20
DC-N	ε C-N		0.316	1.333
DN-HN	ε N-HN		−9.039	1
DC-H	ε C-H		−0.209	0.888	weak
DCα-Hα	ε Cα-Hα		−14.938	1
DHα-HN	ε Hα-HN		2.528	1.333
DHα(i-1)-HN	ε Hα(i-1)-HN		−0.68	1.333	Sum of Ds