1. Prepare input

Upload a NEF or NMR-STAR file containing assigned chemical shifts. Choose the format that matches the file, then select the chemical-shift model: full chemical-shift set, common shifts, or nitrogen and hydrogen shifts only.

Download the NEF example

2. Choose numbering and submit

Keep original numbering when residue labels should match the source assignment. Submit the file and keep the browser token: it identifies the request in My predictions and is required for result downloads.

Open ShiftCrypt

3. Review and export results

When processing is complete, review the residue-level prediction plots and table. Download JSON for the structured result, CSV for tabular analysis, and Metadata for the execution settings recorded with the prediction.

Use the results as a comparison aid for assigned chemical shifts; investigate unexpected values together with sequence, experimental context, and structure information.