SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D-1H-NOESY 2D-1H-TOCSY 2D-1H-COSY | 7.6 | 308 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| TORSION ANGLE DYNAMICS WITH SIMULATED ANNEALING | INDYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 500 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (n/a) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | INDYANA | D.L.TURNER,L.BRENNAN,H. MEYER,C.LOHAUS, C.SIETHOFF,H.S.COSTA,B.GONZALEZ,H.SANTOS, J.E.SUAREZ | |
| 2 | structure solution | INDYANA | ||
