Table 3. Chemical Shifts of 1–6 at 300 K of Selected H and Their Calculated Parameter Q_assym.

	picpenta					picocta
	δ (ppm)	spread	average	Qassym		δ (ppm)	spread	average	Qassym
	heme CH3				δ (ppm) H meso	heme CH3				δ (ppm)H meso
proto	42.25		40.68	0.07	–32.33	47.7		46.0	0.1	–35.52
	41.23	3				46.0	2.6
	40					45.1
	39.25					45.1
meso	44.23	5.21	40.97	0.13	–30.59	38.4	5.3	35.7	0.1	–37.98
	41.39					36.5
	39.25					34.9
	39.02					33.1
deutero	50.36	6.13	47.65	0.13	–29.28	49.6	2.7	48.2	0.1	–28.37
	48.65					48.3
	47.36					48.0
	44.23					46.9