Methionine (Met, M)

NMR- data [1] of Methionine:

	Atom	Atomtyp	Chemical shift [ppm]1			Random Coil chem. shift3	Random Coil chem. shift4
			average	standard deviation	entries2
	H	H	8.260	0.625	16373	8.28	8.25
	Hα	H	4.423	2.756	12988	4.48	4.82
	Hβ2	H	2.021	0.632	11698	2.11	2.04
	Hβ3	H	1.990	0.563	11022	2.01	1.97
	Hγ2	H	2.35	1.633	10823	2.60	2.63
	Hγ3	H	2.338	1.763	10200	2.54	2.56
	Hε	H	1.733	1.786	7978	2.10	2.12
	C	C	176.138	3.854	10752	176.3	174.6
	Cα	C	56.129	2.338	15138	55.4	53.3
	Cβ	C	32.988	2.508	14032	32.9	32.4
	Cγ	C	32.046	1.706	9038	32.0	32.0
	Cε	C	17.206	2.736	7031	16.9	17.0
	N	N	120.064	4.873	15555	119.6	120.7
proportion of proteins	pK2 COOH		pK1COOH	isoelectrical point		pK1NH2	pK2NH2
1.7%	–		2.28	5.74		9.21	–
CAS- number	molar mass		formula	density		melting point	solubility
63-68-3 (L-Enantiomer) 348-67-4 (D-Enantiomer) 59-51-8 {DL-Methionine }	149,21 g·mol−1		C5H11NO2S	1,34 g·cm−3		280–281 °C (decomposition)	in water: 48 g·l−1 (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]

⁵ standard deviation

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/Asparagin (last visit january 2014)

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