SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O 20 ? 6.5 AMBIENT 313
2 2D 1H-13C HSQC 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
3 2D 1H-13C HSQC aliphatic 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
4 2D 1H-13C HSQC aromatic 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
5 2D 1H-1H TOCSY 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
6 2D 1H-1H NOESY 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
7 3D CBCA(CO)NH 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
8 3D C(CO)NH 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
9 3D HNCACB 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
10 3D HBHA(CO)NH 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
11 3D H(CCO)NH 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
12 3D HCCH-TOCSY 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
13 3D 1H-15N NOESY 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
14 3D 1H-15N TOCSY 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
15 3D 1H-13C NOESY 0.2-0.4 MM [U-100% 13C, U-100% 15N] CCL11/EOTAXIN-1, 0.2-0.4 MM CCR3 SU1617 SULFOPEPTIDE, 95% V/V H2O, 5% V/V [U-100% 2H] D2O, 20 MM [U-100% 2H] SODIUM ACETATE-D6, 0.02% V/V SODIUM AZIDE, 20 UM DSS, 95% H2O/5% D2O ?
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
torsion angle dynamics ? 1
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 64
Conformers Submitted Total Number 20
Representative Model 1 (?)
Computation: NMR Software
# Classification Version Software Name Author
1 refinement PROCHECKNMR X-PLOR_NIH 2.32, AQUA, PROCHECKNMR SCHWIETERS, KUSZEWSKI, TJ
2 structure solution 3.1 TopSpin ?
3 structure solution 3.92 Sparky ?
4 structure solution 2.1 CYANA ?
5 structure solution 2.1 CANDID ?
6 structure solution ? TALOS ?
7 structure solution 2.32 X-PLOR NIH ?
8 structure solution ? AQUA ?
9 structure solution ? PROCHECKNMR ?
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