Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
Member of |
Entry DOI: doi:10.13018/BMSE000196
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file: bmse000196.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse000196.mol
All files for bmse000196
Time Domain Data: bmse000196.zip
Sample and instrument details are given with the spectrum
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
Atom ID | Author Nomenclature | Value | Ambiguity Code |
---|---|---|---|
C6 | C1 | 56.329 | 1 |
C8 | C2 | 74.368 | 4 |
C9 | C3 | 100.785 | |
C7 | C5 | 73.817 | 4 |
C5 | C6 | 72.662 | 4 |
C4 | C8 | 177.781 | 1 |
C3 | C13 | 63.243 | 1 |
C1 | C15 | 24.595 | 1 |
C2 | C16 | 57.842 | 1 |
H26 | H17 | 4.751 | 1 |
H28 | H18 | 3.897 | 4 |
H29 | H19 | 3.897 | 1 |
H27 | H20 | 3.732 | 4 |
H25 | H21 | 3.469 | 4 |
H23 | H25 | 3.732 | 1 |
H24 | H26 | 3.732 | 1 |
H18 | H28 | 2.028 | 1 |
H17 | H29 | 2.028 | 1 |
H19 | H30 | 2.028 | 1 |
H20 | H31 | 3.376 | 1 |
H21 | H32 | 3.376 | 1 |
H22 | H33 | 3.376 | 1 |
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz