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Table 2 Definition and number of data points for our atom super classes using notation borrowed from the Amber force field

From: NightShift: NMR shift inference by general hybrid model training - a framework for NMR chemical shift prediction

Atom super class Description Shifts
N Backbone nitrogen 65,246
CA Alpha backbone carbon 66,579
CB Beta backbone carbon 60,353
C Backbone carboxy carbon 48,442
H Backbone hydrogens attached to the backbone nitrogen 68,461
HA Side chain hydrogens on alpha positions (HA, 1HA, 2HA) 71,066
HB Hydrogens on beta positions (HB, 1HB, 2HB) 62,106
HD Hydrogens on delta positions (2HD, HD1, HD2, 1HD1, 1HD2, and 2HD2) 37,514
HG Hydrogens on gamma positions (HG, 1HG1, 1HG2, 2HG, 2HG1, HG1) 43,221
HEHZ Remaining hydrogens (HE, HE1, HE2, HE3, 2HE, 1HE, 1HE2, 2HE2, HH2, HZ, 1HZ, HZ2, HZ3) 21,532