2JSA
Solution structure of Caenopore-5 (81 Pro Trans confomer)
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | DRX | Bruker DRX | 600 |
| 2 | Varian | INOVA | Varian INOVA | 600 |
| 3 | Varian | INOVA | Varian INOVA | 500 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 2 | 1 | 1 | 3D HNCA |
| 3 | 1 | 1 | 3D H(CCO)NH |
| 4 | 1 | 1 | 3D C(CO)NH |
| 5 | 1 | 1 | 3D 1H-15N TOCSY |
| 6 | 1 | 1 | 3D 1H-15N NOESY |
| 7 | 1 | 1 | 3D HCCH-TOCSY |
| 8 | 1 | 1 | 3D 1H-13C NOESY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 5.2 | ambient | 297 |
Conformers
| Conformers Calculated Total Number | 400 |
| Conformers Submitted Total Number | 15 |
