Table 1.

Chemical shifts for DMDH and key active site residues for DMDH-azide complexes of WT hHO and D140A-hHO

	WT hHO		D140A-hHO
Residue	Proton	Azidea	Cyanideb	Azidea
DMDH	1CH3	15.09	8.95	19.9
	2CH3	7.71	21.37
	3CH3	10.07	18.25
	4CH3	19.34	8.51	19.4/14.5c
	5CH3	14.27	9.78	14.5/19.4c
	6CαH	4.20	11.02
	6CαH'	4.85	10.24
	6CβH	−3.90	−0.05
	6CβH'	−7.50	0.12
	7CαH	3.24	13.13
	7CαH'	9.84	7.02
	8CH3	17.78	8.29	12.4
Arg22	CαH	6.67	6.27	6.21
His25	Cβ1H	10.78	8.95	9.3
	Cβ2H	12.68	10.75	12.3
Ala28	CαH	3.40	2.42
	CβH3	−0.07	−2.14
Tyr134	CδHs	6.37	6.56	6.55
	CεHs	6.05	6.25	6.13
Thr135	CαH	1.23	2.39	2.36
	CβH	3.75	3.35	3.55
	CδH3	−1.31	−0.10	0.07
Leu138	CαH	3.76	3.12	-
	CβHs	−0.35, 0.47	−0.40, 0.55	-
	CδH	0.48	0.55	-
Val146	CαH	3.88	3.76
	CβH	2.26	2.32
	CγH3	0.51	0.56
	CγH3'	0.47	0.71
Phe207	CδHs	6.43	6.43	-
	CεHs	5.25	5.82	-
Phe214	CδHs	6.80	6.67	-
	CεHs	6.35	6.35	-
	CζH	6.27	6.45	-

^aChemical shift, in ppm referenced to DSS via the residual solvent signals, in ²H₂O, 50 mM in phosphate, pH 7.1 at 30°.

^bChemical shift in ppm, referenced to DSS, in ¹H₂O, 50 mM in phosphate. Data taken from Li et al (18).

^cThe 4CH₃ and 5CH₃ assignments could not be differentiated.