Table 2. ¹H and ¹³C Chemical Shifts of the Heme Group in Cyanomet Wild-Type rTHB1^a.

	major isomer		minor isomer
assignment	1H	13C	1H	13C
1-CH3	19.09	–32.1	2.62	–7.8
2-α-vinyl	19.06	36.6	9.78	72.6
2-β-vinyl cis, trans	–6.00, −4.76	204.6	–1.93, −2.83
3-CH3	12.27	–29.1	23.24	–39.6
4-α-vinyl	4.89	61.6	15.78	61.7
4-β-vinyl cis, trans	–0.68, 0.27	135.6	–2.72, −1.42	176.9
5-CH3	20.3	–36.9	5.54	–14.2
6-α-propionate	18.09, 13.60	–39.5	5.95, 3.88
6-β-propionate	0.92, 0.03		–0.75, −1.38
7-α-propionate	4.89, 3.43		17.67, 12.05	–33.2
7-β-propionate	–1.10, −1.82	77.7	1.36, 0.65
8-CH3	5.00	–14.4	20.23	–35.2

^aδ (parts per million), determined in 99.9% ²H₂O at pH* 7.5, 300 μM phosphate, and 25 °C on a 5.5 mM wild-type rTHB1 sample with a 2-fold excess of KCN.