SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 2mM alpha2-p8 | 90% H2O/10% D2O | 0 | 5.5 | ambient | 293 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry, molecular dynamics | The structures are based on a total of 322 restraints, 285 are NOE-derived distance constraints, 29 dihedral angle restraints, no distance restraints from hydrogen bonds. | UXNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Representative Model | (minimized average structure) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | UXNMR | 94 | Bruker |
| 2 | data analysis | Gifa | 4.2 | Delsuc |
| 3 | structure solution | DIANA | 2.1 | Guntert |
| 4 | refinement | Amber | 4.1 | Pearlman |
