RMSE for the individual elements of transfer prediction (UCBShift-Y) and machine learning module (UCBShift-X) on the test dataset. The standalone UCBShift-Y prediction when sequence and structural alignments exist and have available experimental chemical shifts. The chemical shift prediction of the machine learning module (UCBShift-X) which is trained independent of any transfer prediction. The prediction of the R₂ module with input from UCBShift-Y module, and the combined R₁ and R₂ modules that defines the UCBShift calculator.

UCBShift components	H	Hα	C′	Cα	Cβ	N
UCBShift-X (R1)	0.44	0.25	1.17	1.08	1.28	2.49
UCBShift-Y	0.21	0.17	0.64	0.57	0.67	1.25
ML with UCBShift-Y input (R2)	0.19	0.15	0.66	0.57	0.70	1.23
UCBShift (utilizing both R1 and R2)	0.31	0.19	0.84	0.81	1.00	1.81