SOLUTION NMR
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| SIMULATED ANNEALING, RESTRAINED MOLECULAR DYNAMICS | NDEE | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | ENERGY, AGREEMENT WITH EXPERIMENTAL DATA |
| Conformers Calculated Total Number | 30 |
| Conformers Submitted Total Number | 10 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | NDEE | ||
| 2 | structure solution | X-PLOR | ||
| 3 | refinement | X-PLOR | ||
