2IT8
Solution structure of a linear analog of the cyclic squash trypsin inhibitor MCoTI-II
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 NOESY |
| 2 | 1 | 1 | 2D TOCSY |
| 3 | 2 | 1 | 2D NOESY |
| 4 | 2 | 1 | 2D TOCSY |
| 5 | 2 | 2 | 2D 1H-13C HSQC |
| 6 | 2 | 2 | 2D NOESY |
| 7 | 2 | 2 | 2D TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 3 | 1 | 285 |
| 2 | 3 | 1 | 300 |
Conformers
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 30 |
