Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE | 900 | |
| 2 | Bruker | AVANCE | 800 | |
| 3 | Bruker | AVANCE | 700 | |
| 4 | Bruker | AVANCE | 600 | |
| 5 | Bruker | AVANCE | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-13C HSQC |
| 10 | 3 | 1 | 3D HCCH-E.COSY |
| 11 | 4 | 1 | 2D 15N HSQC |
| 12 | 5 | 1 | 15N- FILTERED NOESY |
| 13 | 5 | 1 | 3D HCN |
| 14 | 6 | 1 | 3D-HCP |
| 15 | 6 | 1 | 3D-ECOSY |
| 16 | 6 | 1 | 2D-HNN- COSY |
| 17 | 7 | 1 | 2D 15N-FILTERED NOESY |
| 2 | 1 | 1 | 2D 1H-15N HSQC |
| 3 | 1 | 1 | 3D HCN |
| 4 | 2 | 1 | 2D 1H-13C HSQC |
| 5 | 2 | 1 | 2D 1H-15N HSQC |
| 6 | 2 | 1 | 2D |
| 7 | 3 | 1 | 3D 13C-EDITED |
| 8 | 3 | 1 | 13C- FILTERED NOESY |
| 9 | 3 | 1 | 3D HCCH- COSY-TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 7.6 | 1.0 | 298 |
| 2 | 7.6 | 1.0 | 298 |
| 3 | 7.6 | 1.0 | 298 |
| 4 | 7.6 | 1.0 | 298 |
| 5 | 7.6 | 1.0 | 278 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
