BMRB

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 6941

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

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

Data sets:
Data typeCount
13C chemical shifts28
15N chemical shifts12
1H chemical shifts69

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1subunit 11

Entities:

Entity 1, subunit 1 11 residues - 985.5 Da.

1   DABDABALAALAALAALAALAALAALAORN
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:

NameSampleSample stateSample conditions
1D_NMRsample_1not availableconditions_1
1H1H_TOCSYsample_1not availableconditions_1
1H1H_NOESYsample_1not availableconditions_1
1H1H_ROESYsample_1not availableconditions_1
1H13C_HSQCsample_1not availableconditions_1
1H15N_HSQCsample_1not availableconditions_1

Software:

XEASY, 1, 2 - NMR data processing, peak assignments

NMR spectrometers:

  • Varian Varian Unity 500 Plus 500 MHz

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