PINE Instructions

Input Files:

• Sequence Input Format (Three letter or one letter code)

• Peak List Input Format (Any of the following format is acceptable):

  • Sparky Peak List Format

  • Xeasy Peak List Format

  • Simple PINE peak list format

Output Files:

• Chemical shift assignments in BMRB 2.1 format
• Chemical shift assignment in BMRB NMRSTAR 3.1 format
• Native Probabilistic backbone output format generated by PINE
• Native Probabilistic sidechain output format generated by PINE
• Overall picture of  the assignment
• Secondary Structure Prediction of Protein (PECAN)
• Possible referencing errors and chemical shift outlier detection (LACS)
• Chemical shift assignment of individual peaks in each spectra in Xeasy format (If the input peak lists were in Xeasy format and empty prot file has been provided)
• Chemical shift assignment of individual peaks in each spectra in Sparky format (If the input peak lists were in Sparky format)