Question from NMRWiki Q&A forum Relating 13C and 1H chemical shifts for representation of 2D CSPs

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[Question from NMRWiki Q&A forum] Relating 13C and 1H chemical shifts for representation of 2D CSPs

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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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10-05-2010, 02:04 AM

nmrlearner

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Relating 13C and 1H chemical shifts for representation of 2D CSPs

Relating 13C and 1H chemical shifts for representation of 2D CSPs

Hi, our lab uses the following relationship for the calculation of normalized CSPs from 1H-15N HSQC spectra: CSPnorm = ((0.154*Nshift)^2) + Hshift^2)^0.5

Can anyone provide the equivalent multiplier for 13C/1H normalized CSP calculations? I've been looking on the BMRB site but haven't had any success so far.

Cheers.

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