NMR- Data [1] of valine:

Valin Atom Typ chemical shift [ppm]1 Random Coil
chem. shift 3
Random Coil
chem. shift 4
average σ5 entries2
H H  8.28 0.687 55381  8.03  8.02
H  4.172 0.646 42441  4.12  4.44
H  1.976 0.474 39770  2.08  2.06
Hγ1 H  0.82 0.35 39325  0.94  0.97
Hγ2 H  0.80 0.462 38582  0.93  0.92
C C  175.638 3.242 35667  176.3  174.9
C  62.529 2.903 48856  62.2  59.8
C  32.746 2.103 45470  32.9  32.6
Cγ1 C  21.527 1.897 33534  21.1  20.9
Cγ2 C  21.324 2.043 32334  20.3  20.1
N N  121.205 8.171 52437  119.2  120.5
proportion of proteins pK2 COOH pK1COOH isoelectrical point pK1NH2 pK2NH2
 6.9%  –  2.30  5.96  9.60  –
CAS- number molar mass formula solubility melting point density
  • 72-18-4 (L-Enantiomer)
  • 640-68-6 (D-Enantiomer)
  • 516-06-3 (DL-Enantiomer mixture)
 117.15 g·mol−1  C5H11NO2
  • in water (85 g·l−1 at 20 °C)
  • unsoluble in Diethylether, Aceton and Benzol
 295–300 °C 1.23 g·cm−3

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

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