Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Entry DOI: doi:10.13018/BMSE000134
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file: bmse000134.str
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Structure file (mol/sdf): bmse000134.mol
All files for bmse000134
Time Domain Data: bmse000134.zip
View the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Set 1
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
C1 | C1 | 14.537 | 1 |
C2 | C2 | 134.641 | 1 |
C4 | C3 | 130.646 | 4 |
C5 | C4 | 113.553 | 4 |
C3 | C5 | 25.807 | 1 |
C6 | C6 | 70.374 | 1 |
C10 | C12 | 177.983 | 1 |
C13 | C13 | 202.313 | 1 |
H22 | H20 | 1.065 | 1 |
H20 | H21 | 1.065 | 1 |
H21 | H22 | 1.065 | 1 |
H23 | H23 | 6.078 | 2 |
H24 | H24 | 5.696 | 2 |
H27 | H25 | 7.263 | 4 |
H28 | H26 | 6.909 | 4 |
H25 | H27 | 2.366 | 1 |
H26 | H28 | 2.366 | 1 |
H29 | H29 | 4.621 | 1 |
H30 | H30 | 4.621 | 1 |
1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz