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/BMSE001226
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file: bmse001226.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse001226.mol
All files for bmse001226
Time Domain Data: bmse001226.zip
Sample and instrument details are given with the spectrum
Set 1
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
Atom ID | Value | Ambiguity Code |
---|---|---|
C1 | 20.0851 | 4 |
C2 | 20.4578 | 4 |
C3 | 11.3137 | 1 |
C4 | 33.8645 | 1 |
C5 | 27.2098 | 1 |
C6 | 40.329 | 1 |
C7 | 44.9726 | 1 |
C8 | 79.8921 | 1 |
C9 | 46.3239 | 1 |
C10 | 48.9336 | 1 |
H12 | 0.822 | 4 |
H13 | 0.822 | 4 |
H14 | 0.822 | 4 |
H15 | 1.0181 | 4 |
H16 | 1.0181 | 4 |
H17 | 1.0181 | 4 |
H18 | 0.9057 | 1 |
H19 | 0.9057 | 1 |
H20 | 0.9057 | 1 |
H21 | 0.9494 | 2 |
H22 | 1.4945 | 2 |
H23 | 0.9785 | 2 |
H24 | 1.6554 | 2 |
H25 | 1.7229 | 1 |
H26 | 1.7229 | 1 |
H27 | 1.7005 | 1 |
H28 | 3.6156 | 1 |
1: 1D 1H
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz