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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Nalidixic Acid Sodium Salt (C12H12N2O3)
BMRB entry bmse001237
Entry DOI: doi:10.13018/BMSE001237
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley
NMR-STAR file: bmse001237.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse001237.mol
All files for bmse001237
Time Domain Data: bmse001237.zip
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C1 | 17.0692 | 1 |
| C2 | 26.8943 | 1 |
| C3 | 49.2583 | 1 |
| C4 | 124.1482 | 1 |
| C5 | 138.5734 | 1 |
| C6 | 150.7287 | 1 |
| C7 | 166.72 | 1 |
| C8 | 122.5572 | 1 |
| C9 | 121.2743 | 1 |
| C10 | 179.5176 | 1 |
| C11 | 149.9042 | 1 |
| C12 | 175.0495 | 1 |
| H18 | 1.3969 | 1 |
| H19 | 1.3969 | 1 |
| H20 | 1.3969 | 1 |
| H21 | 2.6064 | 1 |
| H22 | 2.6064 | 1 |
| H23 | 2.6064 | 1 |
| H24 | 4.4085 | 1 |
| H25 | 4.4085 | 1 |
| H26 | 7.2766 | 1 |
| H27 | 8.3671 | 1 |
| H28 | 8.5257 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
