AUTOMATIC ASSIGNMENT OF NMR DATA AND DETERMINATION OF THE PROTEIN STRUCTURE OF A NEW WORLD SCORPION NEUROTOXIN USING NOAH/DIAMOD
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 1 mM | 4.00 | 313.00 | ||||
| 2 | DQF-COSY | 1 mM | 4.00 | 313.00 | ||||
| 3 | TOCSY | 1 mM | 4.00 | 313.00 | ||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AM600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| SELF-CORRECTING DG/ VTF | NOAH/DIAMOD/FANTOM | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | VTF VALUES |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Additional NMR Experimental Information | |
|---|---|
| Details | HOMONUCLEAR 1H NMR SPECTROSCOPY |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | NOAH/DIAMOD/FANTOM | W. BRAUN ETC. | |
