NMR pulse sequences of Danish Instrument Center

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NMR pulse sequences of Danish Instrument Center

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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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03-16-2005, 07:39 AM

nmrlearner

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The following NMR pulse sequences for biological macromolecules are available on the website of the Danish Instrument Center as of 3/15/05:

Coupling Constants in Proteins
- 2D S3CT for measurement of one bond coupling constants (J & RDC) - Varian, Bruker
TROSY experiments
- clean TROSY, 15N-1H correlation, gradient version, water flip back, optional t2 decoupling - Varian, Bruker
- constant-time S3CT TROSY, 13 C-1H correlation, gradient version - Varian, Bruker
- (H)CCH TROSY, 3D TROSY-type HCCH correlation with diagonal peak suppression - Varian
- TROSY-Type NOESY, 2D NOESY with amide diagonal peak suppression - Varian
- TROSY-NOESY, 3D version with amide diagonal peak suppression - Varian, Bruker
- HNCA, 3D sequential HNCA for Protein Backbone Assignment - Varian, Bruker
- HNCACB, 3D sequential HNCACB for Protein Backbone Assignment - Varian
J Coupling Constants across Hydrogen Bonds
- 3D S3(HN) TROSY hHNCO pulse sequence for measurement of 2hJ(HN,CO) and 3hJ(N,CO) - Varian
- 3D C E.COSY TROSY hHNCO pulse sequence for measurement of 3hJ(HN,C) - Varian

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