Question from NMRWiki Q&A forum NOE help, pulse shapes, pbox

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[Question from NMRWiki Q&A forum] NOE help, pulse shapes, pbox

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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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01-25-2013, 10:19 PM

nmrlearner

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NOE help, pulse shapes, pbox

NOE help, pulse shapes, pbox

Ok, let's face it. I don't know what I'm doing. I'm a separations chemist running our NMR. sigh.

Anyway, I have been completely unsuccessful in getting any 1D selective excitation experiments to work. 2D run beautifully and give the results I expect, but if I try and select a a peak that had noe/roe interactions, the 1D comes up totally blank. I've adjusted mixing times to be in the correct window for each peak that I've tried to observe. The probe has been recently calibrated for optimal pw etc.

My biggest fear is that I'm going to have to crack open pbox and adjust or create new pulse shapes. VnmrJ 2.2D barely runs as it is (so finnicky and buggy!) that I haven't even started to try to learn pbox. Is there a good online tutorial or knowledge base to learn how to use it? I feel totally lost just looking at it.

thanks!

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