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Supplemental Information

Table S1

Overview Table. Column 0 is the central residue type in the tripeptide. Column $1$ contains the grid spacing in the datafile. Column 2 is the size of the data files for a single atom type after data compression. Column 3 is the amount of initial generated samples. Column 4 is number of chemical shift data points after the geometry optimization and NMR calculations. Column 5 is the interpolation method used to interpolate the missing data points. Column 6 is the amino acid's number of side chain angles in ProCS15.

DOI: 10.7287/peerj.preprints.1308v2/supp-1

Additional Information

Competing Interests

The authors declare that they have no competing interests.

Author Contributions

Anders S Larsen performed the experiments, analyzed the data, contributed reagents/materials/analysis tools, reviewed drafts of the paper.

Lars A Bratholm analyzed the data, contributed reagents/materials/analysis tools, reviewed drafts of the paper.

Anders S Christensen conceived and designed the experiments, reviewed drafts of the paper.

Maher Jan Channir performed the experiments, reviewed drafts of the paper.

Jan H. Jensen conceived and designed the experiments, analyzed the data, wrote the paper, prepared figures and/or tables, reviewed drafts of the paper.

Data Deposition

The following information was supplied regarding data availability:

To be completed

Funding

This work was supported by the Lundbeck Foundation The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.


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