2KGU
Spatial structure of purotoxin-1 in water
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | Avance | Bruker Avance | 700 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-1H NOESY |
| 2 | 1 | 1 | 2D 1H-1H TOCSY |
| 3 | 1 | 1 | 2D 1H-13C HSQC |
| 4 | 2 | 1 | 2D 1H-1H TOCSY |
| 5 | 3 | 1 | 2D 1H-1H TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 2.75 | ambient | 303 |
| 2 | 2.75 | ambient | 293 |
| 3 | 2.75 | ambient | 313 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
