Predict a spin system type

Instructions

Residue types of spin systems can be predicted in various ways, based on the resonances in the spin systems, for example:

• • In the Resonance: Spin Systems popup accessible through M: Resonance: Spin Systems. Select here a spin system and click [Predict Type] to raise the Spin Systems Type Scores popup

  • Directly from a selected peak, using R: Assign: Predict Spin System Type, which again raises the Spin Systems Type Scores popup

Spin Systems Type Scores shows residue type suggestions according to probability in ‘Type Scores’. The predictions are based on the assignments, and it is important to remove any wrong assignments in order to increase the uniqueness and reliability of the predictions. For reliable predictions, make sure that all assignments in the spin system are trustworthy. To assign a spin system to a type suggestion, select the suggestion and click [Assign Spin System Type].