SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H TOCSY | 50 mM [U-100% 2H] DPC-1 | d38-DPC | 4.0 | ambient | 310 | ||
| 2 | 2D DQF-COSY | 50 mM [U-100% 2H] DPC-1 | d38-DPC | 4.0 | ambient | 310 | ||
| 3 | 2D 1H-1H NOESY | 50 mM [U-100% 2H] DPC-1 | d38-DPC | 4.0 | ambient | 310 | ||
| 4 | 2D 1H-15N HSQC | 50 mM [U-100% 2H] DPC-1 | d38-DPC | 4.0 | ambient | 310 | ||
| 5 | 3D 1H-15N NOESY | 50 mM [U-100% 2H] DPC-1 | d38-DPC | 4.0 | ambient | 310 | ||
| 6 | 3D 1H-15N TOCSY | 50 mM [U-100% 2H] DPC-1 | d38-DPC | 4.0 | ambient | 310 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | CYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | chemical shift assignment | CYANA | Guntert, Mumenthaler and Wuthrich | |
| 2 | refinement | X-PLOR NIH | ||
