Question from NMRWiki Q&A forum 2DNOESY with N15 C13 Labelled sample or Unlabelled sample

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[Question from NMRWiki Q&A forum] 2DNOESY with N15 C13 Labelled sample or Unlabelled sample

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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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nmrlearner 2DNOESY with N15 C13 Labelled sample or Unlabelled sample 02-06-2012, 03:54 PM

02-06-2012, 03:54 PM

nmrlearner

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2DNOESY with N15 C13 Labelled sample or Unlabelled sample

2DNOESY with N15 C13 Labelled sample or Unlabelled sample

Dear Friends, I am in process of doing structure calculation of dimeric protein 22kD by using ARIA2.2 . Can I acquire 2DNOESY spectrum for my protein. Will it provide useful information for structure calculation? And whether I should acquire 2DNOESY with N15 C13 Labelled sample or Unlabelled sample . Which sample would be appropriate for this kind of experiment on VNMRJ 700 with biopack ?

Thanks & Regards Srinivas

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