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[Question from NMRWiki Q&A forum] J-Coupling In Proton NMR

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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

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HADDOCK

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RDCs:

Pseudocontact shifts:

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SAVES2 or SAVES4

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V-NMR

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Methyl S2

B-factor

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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

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CCPN

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NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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08-22-2010, 02:30 AM

nmrlearner

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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, CH2=CHCH2CH2CH3)?

Thank you very much for your time.

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