SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 5.2 | 1 atm | 278 | ||||
| 2 | COSY | 5.2 | 1 atm | 278 | ||||
| 3 | TOCSY | 5.2 | 1 atm | 278 | ||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX500 | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| MODELING DETAILS CAN BE FOUND IN THE JNRL CITATION ABOVE | SYBYL | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Additional NMR Experimental Information | |
|---|---|
| Details | MINIMIZED AVERAGE STRUCTURE |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | SYBYL | TRIPOS, INC. | |
| 2 | structure solution | BRUKER UXNMR | UXNMR | |
| 3 | structure solution | SYBYL | ||
