Arginine (Arg, R)

Overview NMR-Data [1] for Arginine:

	Atom	Atomtyp	Chemical Shift [ppm]1			Random Coil chem. shift 3	Random Coil chem. shift4
			average	standard deviation	entries2
	H	H	8.24	0.627	40130	8.23	8.20
	Hα	H	4.293	0.476	31190	4.34	4.65
	Hβ2	H	1.789	0.323	28470	1.86	1.81
	Hβ3	H	1.756	0.336	26878	1.76	1.81
	Hγ2	H	1.558	0.287	25624	1.63	1.67
	Hγ3	H	1.537	0.302	23633	1.63	1.67
	Hδ2	H	3.106	0.274	25181	3.20	3.21
	Hδ3	H	3.089	0.295	22830	3.20	3.21
	Hε	H	7.469	3.158	8731	8.07	8.07
	Hη11	H	6.915	0.56	821
	Hη12	H	6.846	0.500	625
	Hη21	H	6.801	0.676	701
	Hη22	H	6.877	2.300	579
	C	C	176.39	3.391	24360	176.3	174.5
	Cα	C	56.77	2.442	34263	56.0	54.0
	Cβ	C	30.72	2.161	32008	30.9	30.2
	Cγ	C	27.23	1.678	20933	27.1	26.8
	Cδ	C	43.169	1.54	21197	43.3	43.4
	Cζ	C	160.246	6.468	566	159.5	159.6
	N	N	120.758	4.197	36557	120.5	121.3
	Nε	N	90.604	13.498	5550
	Nη1	N	79.911	13.90	214
	Nη2	N	79.555	15.263	188
proportion of proteines	pK2 COOH		pK1COOH	isoelectrical point		pK1NH2	pK2NH2
4.7%	–		2.81	11.76		9.09	13.2
CAS- number	molar mass		formula	density		melting point	solubility
74-79-3 (L– Arginine) 1119-34-2 (L-Arginine ·Hydrochlorid) 332360-01-7 (DL-Arginine ·Hydrochlorid·Hydrat) 157-06-2 (D– Arginine)	174,20 g·mol−1 (Arginin) 210,66 g·mol−1 (Arginine ·Hydrochlorid) 228,68 g·mol–1  (Arginine ·Hydrochlorid ·Hydrat)		C6H14N4O2 (Arginine) C6H14N4O2·HCl (Arginine ·Hydrochlorid) C6H14N4O2·HCl·H2O (Arginine ·Hydrochlorid ·Hydrat)	0,7 g·cm−3		238 °C	good in water (150 g·l−1 for 20 °C)

¹ Depending on the type of atom it was ¹H, ¹³C or ¹⁵N chemical shift. ¹H und ¹³C relative to TMS and ¹⁵N relative to liquid ammonia

² Number of individual chemical shift data for averaging according to [2]

³ with Alanine as neighborhood in the hexapeptide Gly-Gly-X-Ala-Gly-Gly [3]

⁴ with Proline as neighborhood in the hexapeptide Gly-Gly-X-Pro-Gly-Gly [3]

sources:

[1] “BioMagResBank”, Eldon L. Ulrich; Hideo Akutsu; Jurgen F. Doreleijers; Yoko Harano; Yannis E. Ioannidis; Jundong Lin; Miron Livny; Steve Mading; Dimitri Maziuk; Zachary Miller; Eiichi Nakatani; Christopher F. Schulte; David E. Tolmie; R. Kent Wenger; Hongyang Yao; John L. Markley; Nucleic Acids Research 36, D402-D408 (2008) doi: 10.1093/nar/gkm957

[2] http://www.bmrb.wisc.edu/ last visit march 2017

[3] David S. Wishart, Colin G. Bigam, Arne Holm, Robert S. Hodges, Brian D. Sykes; Journal of Biomolecular NMR
January 1995, Volume 5, Issue 1, pp 67-81 doi:10.1007/BF00227471

[4] Wikipedia http://de.wikipedia.org/wiki/Aminos%C3%A4uren (last visit january 2014)

[5] Wikipedia hhttp://de.wikipedia.org/wiki/Arginin (last visit january 2014)