1KQI
NMR Solution Structure of the trans Pro30 Isomer of ACTX-Hi:OB4219
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | DMX | 750 | |
| 2 | Bruker | AMX | 500 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | DQF-COSY |
| 2 | 1 | 1 | NOESY |
| 3 | 1 | 1 | TOCSY |
| 4 | 1 | 2 | E-COSY |
| 5 | 1 | 2 | NOESY |
| 6 | 1 | 2 | TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 5 | ambient | 298 |
| 2 | 5 | ambient | 293 |
| 3 | 5 | ambient | 303 |
Conformers
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
