SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 15N-1H HSQC | 7.0 | 298 | |||||
| 2 | 1H-13C CT-HSQC | 7.0 | 298 | |||||
| 3 | 1H-15N HMQC-J | 7.0 | 298 | |||||
| 4 | 1H NOESY | 7.0 | 298 | |||||
| 5 | 1H TOCSY | 7.0 | 298 | |||||
| 6 | (HB)CBCA(CO)NNH | 7.0 | 298 | |||||
| 7 | HNCACB | 7.0 | 298 | |||||
| 8 | (HB)CBCACO(CA)HA | 7.0 | 298 | |||||
| 9 | HNCO | 7.0 | 298 | |||||
| 10 | HCCH-TOCSY | 7.0 | 298 | |||||
| 11 | 15N-EDITED TOCSY-HMQC | 7.0 | 298 | |||||
| 12 | 15N-EDITED NOESY-HSQC | 7.0 | 298 | |||||
| 13 | 13C-EDITED NOESY-HMQC | 7.0 | 298 | |||||
| 14 | SIMULTANEOUS 13C/ 15N-EDITED NOESY-HMQC | 7.0 | 298 | |||||
| 15 | 13C-FILTERED TOCSY | 7.0 | 298 | |||||
| 16 | [13C/ F1]-EDITED [13C/F2]-FILTERED NOESY | 7.0 | 298 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY-PLUS 500 | 500 |
| 2 | Varian | UNITY-600 | 600 |
| 3 | Bruker | DMX750 | 750 |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 20 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.8.5.1 | BRUNGER |














