NMR-Data [1] of Glutamine:

Glutamin Atom Atomtyp chemical shift [ppm]1 Random Coil
chem. shift 3
Random Coil
chem. shift 4
average standard deviation entries2
H H  8.218  0.684  33299  8.32  8.29
H  4.268  0.439  25740  4.34  4.65
Hβ2 H  2.042  0.273  23494  2.12  2.09
Hβ3 H  2.012  0.317  22302  1.99  1.93
Hγ2 H  2.312  0.351  22128  2.36  2.38
Hγ3 H  2.29  0.38 20418  2.36  2.38
Hε21 H  7.212  0.508  16963  7.52  7.53
Hε22 H  7.04  0.96  16868  6.85  6.88
C C  176.381  11.294  21300  176.0  174.4
C  56.593  2.184  29520  55.7  53.7
C  29.211  2.091  27695  29.4  28.8
C  33.783  1.829  19117  33.7  33.4
C  179.252  7.944  2022  180.5  180.5
N N  119.871  3.968  31370  119.8  120.6
Nε2 N  111.86  2.146  15151  112.1  112.1
proportion of proteines pK2 COOH pK1COOH isoelectrical
point
pK1NH2 pK2NH2
 7.5%  –  2.17  5.65  9.13  –
CAS- number molar mass formula density melting point solubility
  • 56-85-9 (L-Enantiomer)
  • 5959-95-5 (D-Enantiomer)
  • 585-21-7 (DL-glutamine)
 146,15 g·mol−1  C5H10N2O3  185–186 °C
  • in water: 26 g·l−1 (18 °C)
  • not in methanol, benzole and chloroform

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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