Table 5.

O–C/N/H Intra- and Intermolecular Distances of Interest within N-Ac-VL

O	C/N/H	rcryst (Å)a	D (Hz)a	rNMR (Å)b	experiment	description
Intramolecular N-Ac-VL Contacts
O2	C3	2.414	291.3	2.50 ± 0.15	TEDOR	NCO-Vα
	C7	1.231	2196.4	1.23 ± 0.15	TEDOR	NCO-V′
	C8	2.681	212.6	2.73 ± 0.15	TEDOR	NCO-Lα
	N1	2.784	76.5	2.93 ± 0.2	REAPDOR	NCO-NV
	N2	2.226	149.8	2.36 ± 0.2	REAPDOR	NCO-NL
O3	C8	2.375	305.4	2.42 ± 0.15	TEDOR	CO-Lα
	C13	1.196	2394.9	1.25 ± 0.15	TEDOR	CO-L′
O4	C8	2.384	302.4	2.43 ± 0.15	TEDOR	COH-Lα
	C13	1.308	1830.9	1.45 ± 0.15	TEDOR	COH-L′
	N2	2.749	79.5	3.0 ± 0.2	REAPDOR	COH-NL
	H24	0.859	25701.9	–	R3-R-INEPT	COH-HL′
Intermolecular N-Ac-VL Contacts
O2	H24	1.784	2869.2	-	R3-R-INEPT	NCO-HL′
O3	N1	2.884	68.86	3.21 ± 0.2	REAPDOR	CO-NV
	H22	1.967	2140.6	-	R3-R-INEPT	CO-HNv

^aDistances and couplings taken from ref 92.

^bCurrent study.