6Z98
NMR solution structure of the peach allergen Pru p 1.0101
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Varian | Agilent Direct Drive | 500 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 13 | 1 | 2 | 2D 1H-15N HSQC |
| 14 | 1 | 2 | 2D 1H-15N HSQC NH2 only |
| 15 | 1 | 1 | 2D 1H-13C HSQC |
| 16 | 1 | 1 | 2D 1H-13C HSQC aromatic |
| 17 | 1 | 1 | 3D HNCO |
| 18 | 1 | 1 | 3D HN(CA)CO |
| 19 | 1 | 1 | 3D HNCACB |
| 20 | 1 | 1 | 3D CBCA(CO)NH |
| 21 | 1 | 1 | 3D HCCH-TOCSY |
| 22 | 1 | 2 | 3D 1H-15N TOCSY |
| 23 | 1 | 1 | 3D (H)CC(CO)NH-TOCSY |
| 24 | 1 | 2 | 3D 1H-15N NOESY |
| 25 | 1 | 1 | 3D 1H-13C NOESY |
| 26 | 1 | 1 | 3D 1H-13C NOESY aromatic |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.9 | 1 | 298 |
Conformers
| Conformers Calculated Total Number | 40 |
| Conformers Submitted Total Number | 20 |
