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NMR processing:
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Structure from NMR restraints:
Ab initio:
GeNMR
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Fragment-based:
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GeNMR
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Refinement:
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Structure from chemical shifts:
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WeNMR CS-Rosetta
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Torsion angles from chemical shifts:
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Secondary structure from chemical shifts:
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Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
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NMR model quality:
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Chemical shifts:
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iCing
RDCs:
DC
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Protein geomtery:
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SAVES2 or SAVES4
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NMR spectrum prediction:
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Flexibility from structure:
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B-factor
Molecular dynamics:
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Chemical shifts prediction:
From structure:
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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 01-07-2014, 11:16 PM
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Default using chenomx and missing peaks

using chenomx and missing peaks

hello, I am trying to identify and quantify of metabolites present in semen with spectra obtained from 400 MHz NMR using chenomx software. I have fit about 43 metabolites. I am sure that we must have ATP in our samples but it can not be fit and clusters in 6.1, 8.3 and 8.5 have been missed. So I am not sure about my results and I don't know what has happened. thank you for your answer.



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