7UBI
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III | 600 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 1D 1H |
| 10 | 1 | 1 | 2D 1H-13C HSQC -TOCSY |
| 2 | 1 | 1 | 2D 1H-15N HSQC |
| 3 | 1 | 1 | 2D 1H-13C HSQC |
| 4 | 1 | 1 | 2D 1H-13C HSQC-ed |
| 5 | 1 | 1 | 2D 1H-1H NOESY |
| 6 | 1 | 1 | 2D 1H-1H ROESY |
| 7 | 1 | 1 | 2D 1H-1H COSY |
| 8 | 1 | 1 | 2D 1H-1H TOCSY |
| 9 | 1 | 1 | 2D 1H-13C HMBC |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 0 | 1 | 293 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
