Pre-defined sample chemical shifts data.

Source: R/data.R

Sample data for testing calculate_mse() function.

  • AA. amino acid typing (single-letter convention)

  • SS. secondary structure (single-letter convention)

  • CA. chemical shift value of alpha carbon

  • CB. chemical shift value of beta carbon

chemicalShifts

Format

A data frame with 55 rows and 4 columns.