After the peaks are identified, the peak lists from the through-bond spectra are first combined to assign the chemical shift values to the corresponding atoms of the protein.

FLYA
Desktop

FLYA

Determines NMR chemical shift assignments on the basis of peak lists from any…

Determines NMR chemical shift assignments on the basis of peak lists from any combination of multidimensional through-bond or through-space NMR experiments for proteins.

AutoAssign
Desktop
Web

AutoAssign

A constraint-based expert system for automating the analysis of backbone…

A constraint-based expert system for automating the analysis of backbone resonance assignments using triple resonance NMR spectra of small proteins. The AutoAssign web interface can submit jobs to…

SEnCS
Web

SEnCS Structure Ensemble of Conformational States

A server that produces structure ensembles for nuclear magnetic resonance (NMR)…

A server that produces structure ensembles for nuclear magnetic resonance (NMR) and X-ray structures. SenCS utilizes the experimental data from NMR and X-ray crystallography and generates the…

PINE-SPARKY
Desktop

PINE-SPARKY

Supports the rapid, user-friendly and efficient visualization of probabilistic…

Supports the rapid, user-friendly and efficient visualization of probabilistic assignments of NMR chemical shifts to specific atoms in the covalent structure of a protein in the context of…

AutoLink
Desktop

AutoLink

Programs for automatic resonance assignment of macromolecules using NMR data.

Programs for automatic resonance assignment of macromolecules using NMR data.

RASP
Desktop

RASP

Uses structure-based chemical shift predictions to solve the backbone resonance…

Uses structure-based chemical shift predictions to solve the backbone resonance assignment problem in protein NMR spectroscopy.

NMRFAM-SPARKY
Desktop

NMRFAM-SPARKY

SPARKY remains the most popular software program for NMR data analysis, despite…

SPARKY remains the most popular software program for NMR data analysis, despite the fact that development of the package by its originators ceased in 2001. NMRFAM-SPARKY has been repackaged with…

COMPASS
Desktop

COMPASS COmputer-aided Matching and Peak ASSignment

Enables the accuracy of manual assignment at a fraction of the time. By…

Enables the accuracy of manual assignment at a fraction of the time. By including the option to compensate for isotope shift effects in deuterated proteins, COMPASS is far more accurate for larger…

ADAPT-NMR
Desktop
PINE-NMR
Web

PINE-NMR

Accepts as input the sequence of the protein plus user-specified combinations…

Accepts as input the sequence of the protein plus user-specified combinations of data corresponding to an extensive list of NMR experiments; it provides as output a probabilistic assignment of NMR…

LACS
Web

LACS Linear Analysis of Chemical Shifts

Detects referencing errors and to recalibrate the 1H and 13C chemical shift…

Detects referencing errors and to recalibrate the 1H and 13C chemical shift scales if needed. The analysis requires only that the signals be identified with distinct residue types (intra-residue spin…

CARA
Desktop

CARA Computer Aided Resonance Assignment

A software application for the analysis of NMR spectra and computer aided…

A software application for the analysis of NMR spectra and computer aided resonance assignment which is particularly suited for biomacromolecules.

iNMR
Desktop

iNMR

Besides processing, the user can annotate the spectra with text, drawings,…

Besides processing, the user can annotate the spectra with text, drawings, chemical structures, imported images, etc..

MARS
Web

MARS

A program for robust automatic backbone assignment of 13C/15N labeled proteins.

A program for robust automatic backbone assignment of 13C/15N labeled proteins.

Sparky
Desktop

Sparky

A graphical NMR assignment and integration program for proteins, nucleic acids,…

A graphical NMR assignment and integration program for proteins, nucleic acids, and other polymers.

RIBRA
Web

RIBRA

An iterative relaxation algorithm for NMR protein backbone assignment. RIBRA…

An iterative relaxation algorithm for NMR protein backbone assignment. RIBRA applies nearest neighbor and weighted maximum independent set algorithms to solve the problem. To deal with noisy NMR…

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