BMRB

Biological Magnetic Resonance Data Bank


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

DADP (C10H15N5O9P2)

View large 3D structure

BMRB entry bmse000253

Entry DOI: doi:10.13018/BMSE000253
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000253.str
NMR-STAR interactive viewer
Mol file: bmse000253.mol
All files for bmse000253
Time Domain Data: bmse000253.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C2C1767.3651
C2C1767.3131
C7C1888.4194
C7C1888.3334
C7C1886.1414
C7C1873.3204
C6C1988.4194
C6C1988.3334
C6C1986.1414
C6C1973.3204
C5C2088.4194
C5C2088.3334
C5C2086.1414
C5C2073.3204
C1C2141.5511
C9C22158.1421
C10C23151.2184
C10C23121.1834
C8C24151.2184
C8C24121.1834
C4C25142.6261
C3C26155.3011
H29H334.1961
H29H334.1351
H30H344.1961
H30H344.1351
H35H356.4574
H35H354.2694
H34H366.4574
H34H364.2694
H33H376.4574
H33H374.2694
H27H382.8091
H27H382.6081
H28H392.8091
H28H392.6081
H32H408.4551
H31H418.1711

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 1
Download time domain data: bmse000253_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 2
Download time domain data: bmse000253_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 3
Download time domain data: bmse000253_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 4
Download time domain data: bmse000253_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 5
Download time domain data: bmse000253_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 6
Download time domain data: bmse000253_6.zip