SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D-1H-NOESY | 7.3 | 303 | |||||
| 2 | 2D-1H-TOCSY | 7.3 | 303 | |||||
| 3 | 2D-1H-COSY | 7.3 | 303 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| RESTRAINED TORSION ANGLE DYNAMICS WITH SIMULATED ANNEALING | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION MENTIONED. INDYANA REFERENCE:D.L.TURNER, L.BRENNAN,H.E.MEYER,C.LOHAUS, C.SIETHOFF,H.S.COSTA,B.GONZALEZ, H.SANTOS,J.E.SUAREZ(1999) EUR.J.BIOCHEM., 264,833-839. | INDYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 600 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (n/a) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | INDYANA | D.L.TURNER | |
| 2 | structure solution | INDYANA | ||
