BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > NMR community > News from other NMR forums
Advanced Search
Home Forums Wiki NMR feeds Downloads Register Today's Posts



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
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:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
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:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


Reply
 
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Old 02-04-2011, 07:12 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,732
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default How can I calculate a carbon-proton coupling constant for a molecule?

How can I calculate a carbon-proton coupling constant for a molecule?

I'm trying to explain a missing HMBC peak, and having a coupling constant less than 10 Hz would do that nicely. It's a formamidine derivative with a 3 bond correlation N=CHNC The C is a quaternary carbon in a benzene ring. Any help would be appreciated.



Check if somebody has answered this question on NMRWiki QA forum
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[Question from NMRWiki Q&A forum] Downfield carbon paired with a upfield proton
Downfield carbon paired with a upfield proton Dear sirsI have a natural product whose two carbon resoances are appearinga t 46 and 56 ppm but theirs proton resoanances are appearinga at 0.80 and 0.83 ppm respectively. I am unable to understand how there could be a downfield carbon (oxygenated carbon) is paird up with a upfield proton. I request your expert answer.Thanks in advance. Check if somebody has answered this question on NMRWiki QA forum
nmrlearner News from other NMR forums 0 05-20-2011 09:17 PM
[NMR paper] Constant-time multidimensional electrophoretic NMR.
Constant-time multidimensional electrophoretic NMR. Related Articles Constant-time multidimensional electrophoretic NMR. J Magn Reson. 2002 Jun;156(2):181-6 Authors: Li E, He Q Multidimensional electrophoretic NMR (ENMR) has been introduced to determine structures of coexisting proteins and protein conformations in solution. Signals of different proteins are separated in a new dimension of electrophoretic flow according to their characteristic electrophoretic mobilities. The electrophoretic interferograms have been generated in the flow...
nmrlearner Journal club 0 11-24-2010 08:49 PM
[NMRwiki tweet] nmrwiki: How to "calculate" #nmr chemical shift perturbation using 13C and proton shi
nmrwiki: How to "calculate" #nmr chemical shift perturbation using 13C and proton shifts?http://qa.nmrwiki.org/question/181/ nmrwiki: How to "calculate" #nmr chemical shift perturbation using 13C and proton shifts?http://qa.nmrwiki.org/question/181/ Source: NMRWiki tweets
nmrlearner Twitter NMR 0 10-05-2010 02:04 AM
[NMRwiki tweet] nmrwiki: Software to calculate theoretical second moment from crystal structure data?
nmrwiki: Software to calculate theoretical second moment from crystal structure data?http://qa.nmrwiki.org/question/180/ nmrwiki: Software to calculate theoretical second moment from crystal structure data?http://qa.nmrwiki.org/question/180/ Source: NMRWiki tweets
nmrlearner Twitter NMR 0 09-29-2010 10:24 AM
Improved Resolution in Dipolar NMR Spectra Using Constant Time Evolution PISEMA Exper
Improved Resolution in Dipolar NMR Spectra Using Constant Time Evolution PISEMA Experiment. Related Articles Improved Resolution in Dipolar NMR Spectra Using Constant Time Evolution PISEMA Experiment. Chem Phys Lett. 2010 Jul 9;494(1-3):104-110 Authors: Gopinath T, Veglia G The atomic structure of small molecules and polypeptides can be attained from anisotropic NMR parameters such as dipolar couplings (DC) and chemical shifts (CS). Separated local field experiments resolve DC and CS correlations into two dimensions. However, crowded NMR...
nmrlearner Journal club 0 09-05-2010 05:53 AM
[Question from NMRWiki Q&A forum] J-Coupling In Proton NMR
J-Coupling In Proton NMR I'm currently a college student taking Organic Chem and I've no idea how to figure out the J-coupling for H-NMR and neither my professor/TA's/book are being helpful. Does one apply the n+1 rule first to figure the number of peaks and then apply the various couplings to each peak? I understand that if a single H has two non-equivalent neighboring protons, you'd get a doublet of doublets instead of a triplet. But say, for example, how would I figure out the signal for the hydrogens attached to the terminal C of the double bond in 1-pentene ( the first carbon in,...
nmrlearner News from other NMR forums 0 08-22-2010 02:30 AM
what is/ how do you calculate the chemical shift in an NMR?
I have read the technical definitions but I still do not understand what the chemical shift means and how you calculate it given an NMR peak. If someone could kind of dumb it down for me but still give me the important things to know/ how it helps you determine the structure of a molecule with the NMR I would appreciate it.
Courtney NMR Questions and Answers 1 01-01-2002 06:47 PM



Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is On
Trackbacks are Off
Pingbacks are Off
Refbacks are Off



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2024, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 05:30 AM.


Map