SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 7.2 | 298 | |||||
| 2 | TOCSY | 7.2 | 298 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX500 | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION. | DGII |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST TOTAL ENERGY |
| Conformers Calculated Total Number | 25 |
| Conformers Submitted Total Number | 24 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | DGII | HAVEL | |
| 2 | structure solution | BIOSYM | ||
