2MAG
NMR STRUCTURE OF MAGAININ 2 IN DPC MICELLES, 10 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 4.1 | 303 | |||||
| 2 | TOCSY | 4.1 | 303 | |||||
| 3 | DQF-COSY | 4.1 | 303 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY, SIMULATED ANNEALING | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | X-PLOR INTERFACED THROUGH NMRCOMPASS |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST ENERGY |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 10 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR INTERFACED THROUGH NMRCOMPASS | NMRCOMPASS | BRUNGER |
| 2 | structure solution | BIOSYM NMRCOMPASS | NMRCOMPASS | |
