NMR-Data [1] of Cysteine:

Cystein Atom Atomtyp chemical shift [ppm]1 Random Coil
chem. shift 3
Random Coil
chem. shift 4
average standard deviation entries2
H H 8.378  0.70  17331  8.32 (red.)
8.43 (ox.)
 8.30 (red.)
H 4.685  1.068  15042  4.55 (red.)
4.71 (ox.)
 4.81 (red.)
Hβ2 H 3.188  7.196  14553  2.93 (red.)
3.25 (ox.)
 2.93 (red.)
Hβ3 H 3.104  6.522  14186  2.93 (red.)
2.99 (ox.)
 2.85 (red.)
H 2.099  1.47  166
C C 174.843  3.529  8181  174.6 (red.)
174.6 (ox.)
 173.0 (red.)
C 58.107  3.403  11954  58.2 (red.)
55.4 (ox.)
 56.4 (red.)
C 33.117  6.348  11347  28.0 (red.)
41.1 (ox.)
 27.1 (red.)
N N 120.563  21.65  13164  118.8 (red.)
118.6 (ox.)
 119.9 (red.)
proportion of proteines pK2 COOH pK1COOH isoelectrical point pK1NH2 pK2NH2
 2.8%  8.33 (-SH)  1.71  5.05  10.78  –
CAS- Nummer molar mass formula density melting point solubility
  • 52-90-4 (L-Enantiomer)
  • 921-01-7 (D-Enantiomer)
  • 3374-22-9 (DL-Cysteine)
  • 52-89-1 (L-Cysteine·Hydrochlorid)
  • 3374-22-9 (DL-Cysteine)
  • 207121-46-8 (D-Cysteine·Hydrochlorid·Monohydrat)
  • 7048-04-6 (L-Cystein·Hydrochloride·Monohydrat)
 121,16 g·mol−1  C3H7NO2S  220–228 °C
  • good in water: 280 g·l−1(20 °C) 
  • good in alcohol, acetic acid, not in ether and benzole

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 http://de.wikipedia.org/wiki/Asparagin (last visit january 2014)

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