5WE3
Solution NMR structure of PaurTx-3
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-1H TOCSY |
| 10 | 3 | 1 | 2D 1H-1H TOCSY |
| 11 | 4 | 1 | 2D 1H-1H TOCSY |
| 12 | 5 | 1 | 2D 1H-1H TOCSY |
| 13 | 6 | 1 | 2D 1H-1H TOCSY |
| 14 | 1 | 1 | 2D ECOSY |
| 2 | 1 | 1 | 2D NOESY |
| 3 | 1 | 1 | 2D 1H-15N HSQC |
| 4 | 1 | 1 | 2D 1H-13C HSQC |
| 5 | 1 | 2 | 2D 1H-1H TOCSY |
| 6 | 1 | 2 | 2D 1H-1H NOESY |
| 7 | 1 | 2 | 2D 1H-13C HSQC |
| 8 | 1 | 2 | 1D 1H |
| 9 | 2 | 1 | 2D 1H-1H TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 4 | ambient | 298 |
| 2 | 4 | ambient | 283 |
| 3 | 4 | ambient | 288 |
| 4 | 4 | ambient | 293 |
| 5 | 4 | ambient | 303 |
| 6 | 4 | ambient | 308 |
Conformers
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
