. Author manuscript; available in PMC: 2017 Nov 21.

Published in final edited form as: Angew Chem Int Ed Engl. 2016 Oct 31;55(48):15058–15061. doi: 10.1002/anie.201608539

Table 2.

Geometric Parameters and Spectroscopic Properties of HNO bound heme proteins

	^[a]	HB Mode	R_His (Å)	R_water (Å)	δ_H (ppm)	δ_N (ppm)	υ_NO (cm⁻¹)
Mb	Expt ^[b]				14.93	661	1385
	Small ^[c]	A	2.176	/	14.93	605	1377
		B	2.078	/	15.55	659	1402
		C	2.145	2.031	15.04	647	1380
		D	2.069	2.095	15.13	658	1384
	Large	A	2.118	/	14.86	604	1374
		B	2.068	/	15.84	661	1396
		C	2.095	2.118	15.02	644	1377
		D	2.014	2.104	15.05	663	1374
	Whole	A	2.160	/	14.66	600	1380
		B	2.055	/	15.45	657	1397
		C	2.107	2.033	15.04	642	1383
		D	1.999	1.960	15.30	662	1374
LgHb	Expt ^[d]				15.00	665
	Large	A	2.126	/	14.85	605	1374
		B	2.049	/	15.65	662	1392
		C	2.085	2.044	14.84	649	1379
		D	2.031	2.037	15.48	666	1376

^[a]

Small, Large, and Whole represent small active site models, large active site models, and whole protein, respectively.

^[b]

Refs. 5a–c.

^[c]

Ref.4b.

^[d]

Ref. 5b.