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 |