Table 1.

Heme b and engineered histidine chemical shifts of WT, T111H, and L75H cyanomet CtrHbs^a.

	WT	WT*	T111H	T111H*b	L75H	L75H*
1-CH3	16.77	3.2	14.38	3.13?	17.64
2-v α	22.87	12.46	17.75	13.20	23.14	12.85
2-v βc, βt	−4.55, −4.65	−1.69, −2.49	−4.84, −4.34	−2.34, −3.32	−5.10, −5.11	−1.11, −1.42
3-CH3	14.35	23.71	14.97	22.08	14.17	24.42
4-v α	6.68	15.17	7.04	14.23	6.59	15.46
4-v βc, βt	0.29, 0.58	−1.53, −0.12	0.38, 0.72	−1.13, −0.05	0.33, 1.12	−1.81, −0.47
5-CH3	15.87	5.65	15.02	6.02?	16.83	6.17?
6-p α, α’	13.88, 11.76	9.35, 2.75	12.96, 11.16	9.28, 2.77	13.35, 13.08	8.69, 3.60
6-p β, β’	0.32, −0.98	−0.84, −1.53	0.30, −0.99	−1.63, −0.89	0.09, −1.06	−1.27, −2.08
7-p α, α’	7.84, 3.68	14.21, 11.38	7.97, 4.57	14.46, 11.44	7.06, 3.66	12.79, 11.90
7-p β, β’	−1.34, −2.31	1.00, −0.22	−1.99, −1.08	0.59, −0.68	−1.56, −2.53	0.62, −0.42
8-CH3	6.17	17.42	7.49	17.36	5.91	17.64
H111 Hε1, Hδ2	n/a	n/a	7.86, 7.28	7.91, 7.32	n/a	n/a
H75 Hε1, Hδ2	n/a	n/a	n/a	n/a	9.43, 6.29
H75 Nδ1, Nε2	n/a	n/a	n/a	n/a	252.1, 163.0

^apH 7.2, 298 K.

^bA

^*refers to the minor heme orientational isomer.

A ? indicates a tentative assignment.