BMRB Entry 6941
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6941
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Title: '1H, 13C, and 15N Chemical Shift Assignments for Ac-Dab-Dab-(Ala)7-Orn-Orn-NH2 where Dab-diaminobutyric acid; Orn - ornithine' PubMed: 16446433
Deposition date: 2004-01-17 Original release date: 2007-01-29
Authors: Makowska, Joanna; Rodziewicz-Motowidlo, Sylwia; Baginska, Katarzyna; Vila, Jorge; Liwo, Adam; Chmurzynski, Lech; Scheraga, Harold
Citation: Makowska, Joanna; Rodziewicz-Motowidlo, Sylwia; Baginska, Katarzyna; Vila, Jorge; Liwo, Adam; Chmurzynski, Lech; Scheraga, Harold. "Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins" Proc. Natl. Acad. Sci. U.S.A. 103, 1744-1749 (2006).
Assembly members:
XAO, polymer, 11 residues, 985.5 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
XAO: XXAAAAAAAXX
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 28 |
15N chemical shifts | 12 |
1H chemical shifts | 69 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | subunit 1 | 1 |
Entities:
Entity 1, subunit 1 11 residues - 985.5 Da.
1 | DAB | DAB | ALA | ALA | ALA | ALA | ALA | ALA | ALA | ORN | ||||
2 | ORN |
Samples:
sample_1: XAO 4 mM; sodium acetate buffer 30 mM; D2O 10%; H2O 90%
conditions_1: pH: 4.5; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
1D_NMR | sample_1 | not available | conditions_1 |
1H1H_TOCSY | sample_1 | not available | conditions_1 |
1H1H_NOESY | sample_1 | not available | conditions_1 |
1H1H_ROESY | sample_1 | not available | conditions_1 |
1H13C_HSQC | sample_1 | not available | conditions_1 |
1H15N_HSQC | sample_1 | not available | conditions_1 |
Software:
XEASY, 1, 2 - NMR data processing, peak assignments
NMR spectrometers:
- Varian Varian Unity 500 Plus 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts