Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 17795

Title: Backbone chemical shift assignments for A 40 with Met35 in its oxidised state   PubMed: 14971932

Deposition date: 2011-07-20 Original release date: 2011-08-26

Authors: Zagorski, Michael

Citation: Hou, Liming; Shao, Haiyan; Zhang, Yongbo; Li, Hua; Menon, Nanda; Neuhaus, Elizabeth; Brewer, John; Byeon, In-Ja; Ray, Dale; Vitek, Michael; Takashi, Iwashita; Makula, Ronald; Przybyla, Alan; Zagorski, Michael. "Solution NMR Studies of the Ab(1-40) and Ab(1-42) Peptides Establish that the Met35 Oxidation State Affects the Mechanism of Amyloid Formation"  J. Am. Chem. Soc. 126, 1992-2005 (2004).

Assembly members:
Abeta(1-40), polymer, 40 residues, Formula weight is not available

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts71
15N chemical shifts39
1H chemical shifts86

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID


Entity 1, Abeta(1-40) 40 residues - Formula weight is not available



sample_1: Abeta(1-40), [U-95% 15N], 0.2 – 0.3 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.01 M; pH: 7.2; pressure: 1 atm; temperature: 273 K


NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1


SPARKY, Goddard - collection

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker DRX 800 MHz

Related Database Links:

BMRB 11435 15775 17159 17186 17764 17793 17794 17796 18052 18127 18128 18129 18131 19009 19309 19393 25218 25289 25429 26508 26516
DBJ BAA22264 BAA84580 BAB71958 BAD51938 BAE01907
EMBL CAA30050 CAA31830 CAA39589 CAA39590 CAA39591
GB AAA35540 AAA36829 AAA51564 AAA51722 AAA51726
PIR A60045 D60045 E60045 G60045 PQ0438
PRF 1303338A 1403400A 1405204A 1507304A 1507304B
REF NP_000475 NP_001006601 NP_001013036 NP_001070264 NP_001127014
SP P05067 P53601 P79307 P86906 Q28053
TPG DAA33655
AlphaFold P79307 Q28053 P05067 P53601 P86906

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts