2LGJ
Solution structure of MsPTH
Spectrometer
Experimental method: SOLUTION NMR
Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
1 | Varian | INOVA | Varian INOVA | 600 |
2 | Bruker | AVANCE | Bruker Avance | 800 |
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 | 3 | 2D 1H-13C HSQC aliphatic |
12 | 1 | 3 | 2D 1H-13C HSQC aromatic |
13 | 1 | 3 | 3D 1H-13C NOESY aliphatic |
14 | 1 | 3 | 2D 1H-13C NOESY aromatic |
15 | 1 | 2 | HB(CBCGCE)HE |
16 | 1 | 2 | HB(CBCGCD)HD |
2 | 1 | 2 | 3D HNCACB |
3 | 1 | 2 | 3D CBCA(CO)NH |
4 | 1 | 2 | 3D HNCA |
5 | 1 | 2 | 3D HNCO |
6 | 1 | 2 | 3D HN(CA)CO |
7 | 1 | 2 | 3D H(CCO)NH |
8 | 1 | 2 | 3D C(CO)NH |
9 | 1 | 2 | 3D HCCH-TOCSY |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 6.5 | ambient | 303 |
Conformers
Conformers Calculated Total Number | 200 |
Conformers Submitted Total Number | 10 |