nmr_bmrb-chemical-shifts

A visualization tool for the Biological Magnetic Resonance Databank (BMRB) chemical shift statistics.

The filtered data set¹ for standard amino acids is fetched and then interactive Bokeh charts are generated for each nucleus:

¹³C chemical shift stats

¹H chemical shift stats

¹⁵N chemical shift stats

Black vertical lines indicate the mean chemical shift for each atom, while the colored horizontal bars show ± one standard deviation range.

All charts can be panned and zoomed (also the individual axes). Hover over each bar to see the corresponding data:

• Amino acid type
• Atom type
• Chemical shift stats
  • Average
  • Standard deviation
  • Minimum
  • Maximum

¹ Only chemical shifts from standard amino acids in diamagnetic samples.

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