SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 6.8 | 309 | |||||
| 2 | NOESY-15N-HSQC | 6.8 | 309 | |||||
| 3 | NOESY-13C-HSQC | 6.8 | 309 | |||||
| 4 | DQF-COSY | 6.8 | 309 | |||||
| 5 | TOCSY | 6.8 | 309 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. OPAL (LUGINBUHL ET AL.) ALSO WAS USED. | DIANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATIONS |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | DIANA | WUTHRICH | |
| 2 | structure solution | DIANA | ||
| 3 | structure solution | OPAL | ||
