Tuftsin Acetate Salt Hydrate (C21H40N8O6)

Tuftsin Acetate Salt Hydrate bmse001175 - Data

View large 3D structure

BMRB entry bmse001175

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.str

NMR-STAR

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Structure file (mol/sdf):

bmse001175.mol

All files for

bmse001175

Time Domain Data:

bmse001175.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 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

NMR experiments

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

Download time domain data: bmse001175_1.zip

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

Download time domain data: bmse001175_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001175_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001175_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001175_5.zip

6: 2D 1H-13C HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001175_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001175_7.zip

8: 2D 1H-13C HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001175_8.zip

9: 2D 1H-1H COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001175_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001175_10.zip