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. Author manuscript; available in PMC: 2015 Dec 1.
Published in final edited form as: J Inorg Biochem. 2014 Sep 28;141:198–207. doi: 10.1016/j.jinorgbio.2014.09.009

Table 2.

Reacted heme and alkylated histidine chemical shifts of T111H-A4 and L75H-B cyanomet CtrHbsa

T111H-A4 L75H-B
1-CH3 2.02 15.57 (−26.3)
2-v α 13.47 26.44
2-v βc, βt −2.83, −3.84 −5.46, −5.78
3-CH3 20.26 11.55 (−31.1)
4-α 6.13 0.54
4-β-CH3 3.45 −0.49 (25.2)
5-CH3 5.88 18.81 (−34.8)
6-p α, α’ 8.50, 1.87 12.91, 12.56
6-p β, β’ −1.03, −1.84 −0.27, −1.57
7-p α, α’ 15.46, 12.19 7.74, 3.89
7-p β, β’ 0.53, −0.81 −1.75, −2.66
8-CH3 18.65 5.66 (−12.7)
H111 Hε1, Hδ2 8.36, 6.48 n/a
H111 Nδ1, Nε2 250.6, 220.7 n/a
H75 Hε1, Hδ2 n/a 7.12, 5.42
H75 Nδ1, Nε2 n/a 254.6, 198.6
a

pH 7.2, 298 K.

Values in parentheses are 13C shifts.