BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

NADH (C21H29N7O14P2)

View large 3D structure

BMRB entry bmse000054

Entry DOI: doi:10.13018/BMSE000054
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich

NMR-STAR file: bmse000054.str
NMR-STAR interactive viewer
Mol file: bmse000054.mol
All files for bmse000054
Time Domain Data: bmse000054.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: multiple; see NMR-STAR file
Conditions: multiple; see NMR-STAR file
Spectrometer: multiple; see NMR-STAR file

Atom IDAuthor NomenclatureValueAmbiguity Code
C7C1155.3531
C8C2142.2921
C2C324.6161
C1C4108.0791
C3C5126.4361
C4C6141.1391
C6C768.6974
C6C767.9264
C5C868.6974
C5C867.9264
C12C9121.1941
C17C10158.0551
C19C11151.4401
C11C1286.3521
C11C1286.3171
C11C1286.2821
C10C1385.1251
C10C1385.0911
C10C1385.0561
C14C1472.9531
C13C157.5174
C13C1573.3204
C16C1677.2941
C15C177.5174
C15C1773.3204
C21C1889.8831
C20C1997.8311
C9C20102.5561
C18C21175.2941
H54H458.1431
H55H468.4481
H46H472.7021
H47H482.7021
H45H494.7844
H48H505.9781
H49H516.9251
H52H524.0964
H52H524.2414
H53H534.0964
H53H534.2414
H50H544.0964
H50H544.2414
H51H554.0964
H51H554.2414
H57H564.3961
H56H574.0964
H56H574.2414
H59H584.5221
H58H594.0964
H58H594.2414
H61H604.7041
H60H614.0964
H60H614.2414
H63H626.0991
H62H634.7844

NMR experiments

1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000054_1.zip

2: 1D 1H, 2.0 mM
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000054_2.zip

3: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000054_3.zip

4: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000054_4.zip

5: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000054_5.zip

6: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000054_6.zip

7: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000054_7.zip

8: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 8
Download time domain data: bmse000054_8.zip

9: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 9
Download time domain data: bmse000054_9.zip

10: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 10
Download time domain data: bmse000054_10.zip

11: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 11
Download time domain data: bmse000054_11.zip

12: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.5
Spectrometer: Bruker DMX - 500MHz

 spectrum for 12
Download time domain data: bmse000054_12.zip

13: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.5
Spectrometer: Bruker DMX - 500MHz

 spectrum for 13
Download time domain data: bmse000054_13.zip

14: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.5
Spectrometer: Bruker DMX - 500MHz

 spectrum for 14
Download time domain data: bmse000054_14.zip

15: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.5
Spectrometer: Bruker DMX - 500MHz

 spectrum for 15
Download time domain data: bmse000054_15.zip

16: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.5
Spectrometer: Bruker DMX - 500MHz

 spectrum for 16
Download time domain data: bmse000054_16.zip

17: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.5
Spectrometer: Bruker DMX - 500MHz

 spectrum for 17
Download time domain data: bmse000054_17.zip

18: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.5
Spectrometer: Bruker DMX - 500MHz

 spectrum for 18
Download time domain data: bmse000054_18.zip

19: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.5
Spectrometer: Bruker DMX - 500MHz

 spectrum for 19
Download time domain data: bmse000054_19.zip