Entry DOI: doi:10.13018/BMSE001175
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse001175.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001175.molAll files for
bmse001175Time Domain Data:
bmse001175.zipSample and instrument details are given with the spectrum
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
Atom ID | Value | Ambiguity Code |
---|---|---|
C15 | 63.3755 | 1 |
C8 | 32.0722 | 1 |
C5 | 27.3944 | 1 |
C11 | 50.823 | 1 |
C19 | 174.5496 | 1 |
C13 | 54.3337 | 1 |
C17 | 175.9727 | 1 |
C6 | 32.6885 | 1 |
C2 | 24.6767 | 1 |
C14 | 57.5092 | 1 |
C3 | 29.2712 | 1 |
C7 | 31.4286 | 1 |
C18 | 174.5344 | 1 |
C16 | 61.9649 | 1 |
C4 | 27.2264 | 1 |
C9 | 41.8267 | 1 |
C20 | 181.1832 | 1 |
C12 | 70.4424 | 1 |
C10 | 43.5598 | 1 |
C1 | 21.4047 | 1 |
C21 | 159.4238 | 1 |
H75 | 4.4237 | 1 |
H74 | 1.9556 | 2 |
H73 | 2.3115 | 2 |
H72 | 2.0439 | 1 |
H66 | 2.0439 | 1 |
H67 | 3.6802 | 2 |
H64 | 3.8867 | 2 |
H65 | 4.661 | 1 |
H68 | 1.7791 | 2 |
H69 | 1.8513 | 2 |
H71 | 1.5039 | 1 |
H62 | 1.5039 | 1 |
H52 | 4.1345 | 1 |
H45 | 1.7068 | 1 |
H46 | 1.7068 | 1 |
H57 | 1.7256 | 2 |
H58 | 1.8433 | 2 |
H60 | 3.5731 | 1 |
H47 | 1.6346 | 1 |
H48 | 1.6346 | 1 |
H39 | 3.004 | 1 |
H40 | 3.004 | 1 |
H61 | 4.0068 | 1 |
H41 | 3.2033 | 1 |
H42 | 3.2033 | 1 |
H63 | 1.2413 | 1 |
H43 | 1.2413 | 1 |
H44 | 1.2413 | 1 |
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz