Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III | 950 | |
| 2 | Bruker | AVANCE III HD | 800 | |
| 3 | Bruker | AVANCE III HD | 600 | |
| 4 | Bruker | AVANCE III HD | 500 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-1H NOESY |
| 2 | 1 | 1 | 2D 1H-1H TOCSY |
| 3 | 1 | 1 | 2D 1H-1H DQF-COSY |
| 4 | 1 | 1 | 2D 1H-31P HSQC |
| 5 | 1 | 1 | 2D 1H-13C HSQC |
| 6 | 1 | 1 | 2D 1H-15N HSQC |
| 7 | 1 | 2 | 2D 1H-13C HSQC |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.8 | 1 | 303 |
Conformers
| Conformers Calculated Total Number | 150 |
| Conformers Submitted Total Number | 30 |
