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(A) Experimental and predicted values of 
, in the dataset of 1500 NMR ensembles. The Pearson correlation coefficient between predictions and experimental data is equal to 0.95 (
). See also Figures S3 and S5. (B) Experimental (continuous) and predicted (dashed) values of 
, in the dataset of 1500 NMR ensembles. See also Figure S2.
