SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | DQF-COSY | 90% H2O/ 10% D2O | 5.5 | 1 atm | 278 | |||
| 2 | TOCSY | 90% H2O/ 10% D2O | 5.5 | 1 atm | 278 | |||
| 3 | NOESY | 90% H2O/ 10% D2O | 5.5 | 1 atm | 278 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | FANTOM | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | BEST 20 OUT OF 83 WITH PA BACKBONE RMSD NOT LESS THAN 0.05 A |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | FANTOM | VON FREYBERG | |
| 2 | structure solution | DYANA | ||
