1UT3
Solution Structure of Spheniscin-2, a beta-Defensin from Penguin Stomach Preserving Food
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D-1H-COSY | 4.3 | 1 atm | 293 | ||||
2 | 2D-1H-TOCSY | 4.3 | 1 atm | 293 | ||||
3 | 2D-1H-NOESY | 4.3 | 1 atm | 293 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 600 |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | LOWEST ENERGY, LEAST RESTRAINT VIOLATION |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 10 |
Representative Model | 1 (n/a) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | ARIA1.1/CNS1.1 | LINGE | |
2 | structure solution | ARIA/CNS |