Question from NMRWiki Q&A forum 2D-NOESY for macromolecules

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[Question from NMRWiki Q&A forum] 2D-NOESY for macromolecules

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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08-25-2016, 05:42 AM

nmrlearner

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2D-NOESY for macromolecules

2D-NOESY for macromolecules

Hi, NOESY is very interesting method bet I have a problem. We are working with polymethacryles (MW about 20 000-30 000 g/mol). Noesy spectrum of polymer in good solvent is adequate with good cross-picks. Meanwhile, spectrum of polymer in bad solvent is without cross-picks. I image that intensities of cross-picks of polymer in bad solvent will be bigger in comparison with the spectrum of polymer in good solvent. Size of agglomerates in bad solvent was about 80 nm (by DLS). Concentration of polymer was 5 mg/ml, 1H NMR spectra of polymers were taken on a Brucker 400 AscendTM nuclear magnetic resonance spectrometer (400 MHz) ; mixing time 50, 200 mikros, experiment noesygpphpp

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