SOLUTION NMR
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITYPLUS | 600 |
| 2 | Varian | UNITYPLUS | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY AND MOLECULAR DYNAMICS | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | ENERGY GAP 400 KCAL/MOLE |
| Conformers Calculated Total Number | 14 |
| Conformers Submitted Total Number | 7 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | BRUNGER |
| 2 | structure solution | VARIAN VNMR (2D) NMRPIPE (3D) PIPP (3D) | (3D) | |
