Tyrosine (Tyr, Y)

NMR- data [1] of tyrosine:

	Atom	Atomtyp	chemical shift [ppm]1			Random Coil chem. shift3	Random Coil chem. shift4
			average	standard deviation	entries2
	H	H	8.304	0.739	25862	8.12	8.10
	Hα	H	4.615	0.569	19854	4.55	4.84
	Hβ2	H	2.893	0.487	18588	3.03	3.05
	Hβ3	H	2.831	0.505	18171	2.98	2.89
	Hδ1	H	6.913	0.387	16267	7.14	7.15
	Hδ2	H	6.911	0.394	13742	7.14	7.15
	Hε1	H	6.69	0.319	15485	6.84	6.86
	Hε2	H	6.689	0.330	13214	6.84	6.86
	Hη	H	9.162	2.201	363	–	–
	C	C	175.316	4.705	15592	175.9	174.8
	Cα	C	58.127	2.613	21816	57.9	55.8
	Cβ	C	39.324	2.729	20343	38.8	38.3
	Cγ	C	128.403	12.173	266	130.6	130.7
	Cδ1	C	132.866	16.948	9563	133.3	133.5
	Cδ2	C	133.072	20.211	6542	133.3	133.5
	Cε1	C	117.734	3.795	9490	118.2	118.2
	Cε2	C	117.779	3.031	6493	118.2	118.2
	Cζ	C	154.991	16.034	216	157.3	157.3
	N	N	120.877	14.047	23572	120.3	120.8
proportion in proteins	pK2 COOH		pK1COOH	isoelectrical point		pK1NH2	pK2NH2
3.5%	10.07 (Ph-OH)		2.20	5.66		9.11	–
CAS- number	molar mass		formula	density		melting point	solubility
60-18-4 (L-Tyrosine) 556-02-5 (D-Tyrosine) 556-40-6 (DL-Tyrosine)	181.19 g·mol−1		C9H11NO3	1.46 g·cm−3 (25 °C)		342–344 °C (decomposition)	good in acids and bases bad in water (0.38 g·l−1 at 20 °C) unsoluble in Ethanol, Ether and Aceton

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]

3D- Modell

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 http://de.wikipedia.org/wiki/Alanin (las visit Januar 2014)proportion of proteinsproportion of proteins

3D Mol: Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829