Two-dimensional 1H NOESY data are routinely used to assign specific stereo-isomers based on the proton nuclear Overhauser effects (NOE's) which are strongly correlated to inter-proton distances through space. For example, NOE's may be observed for cis- protons across a double bond but not observed for trans- protons. The same technique can be used with 19F in fluorinated compounds to gauge the inter-fluorine distance and assign stereochemistry. The figure below shows the 19F NOESY spectrum of a fluorine containing cobalt complex.
From the 1D-19F NMR spectrum, it is not clear which fluorine atoms are on the same or opposite sides of the four membered cobalt containing ring. The 2D-19F NOESY spectrum, on the other hand, shows strong NOE cross peaks between fluorine C and both A and E indicating that C, A and E are on the same side of the ring. There are also strong cross peaks between fluorine D, and both B and F indicating that D, B anf F are on the same side of the ring. Thank you to Graham Lee (of Dr. R.T. Baker's research group at the University of Ottawa) for kindly providing the sample and sharing his data.
[NMRpipe Yahoo group] 3d c13 hmqc noesy
3D C13 HMQC NOESY
Hello! I am looking for a script model for 3D C13 HMQC NOESY processing. It's my first 3D experiment and I need a starting point. Thanks in advance.
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02-27-2012 06:56 AM
[Question from NMRWiki Q&A forum] N15 NNH separated NOESY
N15 NNH separated NOESY
Dear friends,
I came across one reference which describe N15 NNH separated NOESY experiment but I am not able to get more information about this experiment from other sources. Is this experiment useful for providing restraints for protein structure calculation. what kind of information this experiment can provide and how to set up. If anyone has references to suggest, please suggest.
Thanks & Regards
Arun
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02-21-2012 03:43 PM
[Question from NMRWiki Q&A forum] Auto peak picking of N15Edit NOESY and C13 Edit NOESY spectrum
Auto peak picking of N15Edit NOESY and C13 Edit NOESY spectrum
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...
nmrlearner
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12-14-2011 07:14 PM
[Question from NMRWiki Q&A forum] NOESY+WET 2D artifacts
NOESY+WET 2D artifacts
When i run 2d noesy with wet suppression (Hypercomplex with phase=1,2, nt=32, so phasecycle errors should be excluded)), i always found strong artifact ("mirrored diagonal") in the center of thespectrum. I know it is known artifact in Hypercomplex method, but never observed it without wet. How can I avoid this artifact?
Check if somebody has answered this question on NMRWiki QA forum
nmrlearner
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09-07-2011 08:21 PM
[Question from NMRWiki Q&A forum] Beginner: Help understanding 3D NOESY
Beginner: Help understanding 3D NOESY
Hi, I am a person with a Computer Science background who is dealing with some NMR dataset. I am concerned with the assignment of NMR peaks from several experiments. For structure determination, I am dealing with 3D-NOESY data. I am finding it a little hard to comprehend what the several peaks mean here. I understand what the peaks in a 2D dataset like 1H-1H NOESY dataset mean but not on higher dimensions.
I do not understand the nomenclature followed in the naming of NOESY experiments because I feel a little lost in all the technical details in the...
nmrlearner
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06-10-2011 01:41 AM
[NMRpipe Yahoo group] Re: N15 separated NOESY and TOCSY
Re: N15 separated NOESY and TOCSY
Hi Iris, It's difficult to diagnose the problem without seeing the processing script, but what phase correction was used in the 15N dimension? If the initial
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05-26-2011 10:34 PM
[NMRpipe Yahoo group] N15 separated NOESY and TOCSY
N15 separated NOESY and TOCSY
Hello, I did a N15 separated TOCSY experiment and used the following script: #!/bin/csh bruk2pipe -in ./ser \ -bad 0.0 -aswap -DMX -decim 2632 -dspfvs 20
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05-26-2011 10:34 PM
Theoretical Noesy Spectra
Hello
Does anybody know how can i obtain a theoretical Noesy Spectra?
Thanks in advance
J.I. MIranda