5L34
Calculated solution structure of [D-Trp3]-Contryphan-Vc2
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-1H TOCSY |
| 2 | 1 | 1 | 2D 1H-1H ROESY |
| 3 | 2 | 2 | 2D DQF-COSY |
| 4 | 3 | 1 | 2D 1H-15N SOFAST-HMQC |
| 5 | 2 | 2 | 2D 1H-13C HSQC |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 4 | 1 | 278 |
| 2 | 4 | 1 | 283 |
| 3 | 4.1 | 1 | 283 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
