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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


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Old 01-26-2012, 02:22 PM
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Default Data processing and Sparky

Data processing and Sparky

Dear NMRWikiers, I'm fresh in nmr field and would like to ask couple questions: 1. Our protein has about 132 residues.The NHSQC is well dispersed but many peaks can't be found in CBCANH and CBCACONH. HNCA/HNCOCA + HNCO/HNCACO are planned for backbone assignment. Other people processed data with NMRPipe. The NHSQC peaks can mostly find matching peaks in HNCO/HNCACO, while HNCA/HNCOCA can't be matched (no same resonances can be seen when synchronized). But, many peaks can be seen in HNCA/HNCOCA. I found that the whole scale of 13C axis in HNCA is from 51 to 66 and the one in HNCOCA is from 42 to 73. Maybe this is the reason for peak un-matching in these two spectra. Where is the problem in processing? Is it possible to correct by re-processing? 2. I'm using SPARKY to do assignment. In Strip Plot, after "Add selected strip peaks" (HNCO + HNCACO),Pointer Mode in "find/add peak", pick the peak in HNCACO, hold "Shift" down and click HNCO window and selected, go to "Find - Add strips matching peaks", but only HNCACO strips are added, never HNCO. What's wrong?

Many thanks in advance,

John Leehono



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