2JN3
NMR structure of cl-BABP complexed to chenodeoxycholic acid
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE | Bruker Avance | 700 |
| 2 | Bruker | AVANCE | Bruker Avance | 400 |
| 3 | Bruker | AVANCE | Bruker Avance | 500 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 10 | 1 | 1 | 3D 1H-15N NOESY |
| 11 | 1 | 1 | 3D HBHA(CO)NH |
| 12 | 2 | 2 | 3D 13C-edited 13C-filtered NOESY |
| 2 | 1 | 1 | 3D HNCO |
| 3 | 1 | 1 | 3D HNCA |
| 4 | 1 | 1 | 3D HN(CO)CA |
| 5 | 1 | 1 | 3D CBCA(CO)NH |
| 6 | 2 | 2 | 3D HCCH-TOCSY |
| 7 | 2 | 2 | 3D HCCH-TOCSY |
| 8 | 1 | 1 | 3D 1H-13C NOESY |
| 9 | 1 | 1 | 3D 1H-15N TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 7 | ambient | 298 |
| 2 | 7 | ambient | 298 |
Conformers
| Conformers Calculated Total Number | 400 |
| Conformers Submitted Total Number | 20 |
