Does anybody know how can i obtain a theoretical Noesy Spectra?
Thanks in advance
J.I. MIranda
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[Question from NMRWiki Q&A forum] Folding vs. Aliasing (in NOESY spectra)
Folding vs. Aliasing (in NOESY spectra)
Hi everyone
Does anyone happen to know if/how I can tell whether peaks outside the spectral width were either folded or aliased into a (NOESY) spectrum, when all I have is the spectrum file (in .ucsf format, say), and I do not know how the spectrum was recorded? I am not aiming at finding out whether there were any such 'outside peaks', what I would like to know is, in case there were some, where I would have to look for them.
Thanks a lot for your time!
nmrlearner
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02-02-2012 09:43 PM
[Question from NMRWiki Q&A forum] Auto peak picking of N15Edit NOESY and C13 Edit NOESY spectrum
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Dear friends,
I am in process of doing structure calculation of a dimeric protein. The problem I faced is regarding the assignment of N15Edit NOESY and C13 Edit NOESY spectrum.I have already processed the fid data and converted to sparky ucsf format. Is there options available in sparky for auto peak picking, integration and assignment of my NOESY spectrum? And second query is regarding the generation of input files for structure calculation. In our Lab we are using ARIA 2.1 software for structure calculation? Is there any...
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[U. of Ottawa NMR Facility Blog] The Effect of Viscosity on 1H NOESY Spectra
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For small molecules, 1H 2D NOESY spectra exhibit positive NOE's between protons close to one another in space and the off-diagonal correlations are opposite in phase to those of the diagonals. As molecules become larger and larger the motional correlation times become longer and longer. As the correlation times become longer and longer, the NOE's become less positive, cross zero and then become negative. For large molecules, like proteins, the NOE's are negative and the off-diagonal correlations between close protons are of the same phase as the...
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[NMR paper] Simplification of protein NOESY spectra using bioorganic precursor synthesis and NMR
Simplification of protein NOESY spectra using bioorganic precursor synthesis and NMR spectral editing.
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J Am Chem Soc. 2004 May 5;126(17):5348-9
Authors: Lichtenecker R, Ludwiczek ML, Schmid W, Konrat R
A novel method is proposed for the analysis of protein NOEs in solution. In this approach, chemically synthesized precursor compounds for the amino acids valine, leucine, and isoleucine are used for amino acid specific labeling...
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11-24-2010 09:51 PM
[NMR paper] Automated assignment of NOESY NMR spectra using a knowledge based method (KNOWNOE).
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J Biomol NMR. 2002 Aug;23(4):271-87
Authors: Gronwald W, Moussa S, Elsner R, Jung A, Ganslmeier B, Trenner J, Kremer W, Neidig KP, Kalbitzer HR
Automated assignment of NOESY spectra is a prerequisite for automated structure determination of biological macromolecules. With the program KNOWNOE we present a novel, knowledge based approach to this problem. KNOWNOE...
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Recent developments in experimental and computational aspects of NMR spectroscopy have had a significant impact on the accuracy and speed of macromolecular structure determination in solution, particularly with regard to systems of high complexity (such as protein complexes). These include experiments...
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A novel method for suppression of diagonal peaks in the amide region of NOESY NMR spectra of 15N-labeled proteins is presented. The method is particularly useful for larger proteins at high magnetic fields where interference between dipolar and chemical shift anisotropy relaxation...
Theoretical Noesy Spectra
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