SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D- AND 4D-NOESY | H2O | 50 mM PHOSPHATE BUFFER | 6.2 | 1 atm | 297 | ||
| 2 | 3D-TOCSY | H2O | 50 mM PHOSPHATE BUFFER | 6.2 | 1 atm | 297 | ||
| 3 | HNCACB | H2O | 50 mM PHOSPHATE BUFFER | 6.2 | 1 atm | 297 | ||
| 4 | HNHA | H2O | 50 mM PHOSPHATE BUFFER | 6.2 | 1 atm | 297 | ||
| 5 | C(CO)NH | H2O | 50 mM PHOSPHATE BUFFER | 6.2 | 1 atm | 297 | ||
| 6 | H(CCO)NH | H2O | 50 mM PHOSPHATE BUFFER | 6.2 | 1 atm | 297 | ||
| 7 | HCCH-TOCSY | H2O | 50 mM PHOSPHATE BUFFER | 6.2 | 1 atm | 297 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | XPLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 90 |
| Conformers Submitted Total Number | 1 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | XPLOR | ||
| 2 | refinement | XPLOR | ||














