initialize GSSs based on NHSQC peaks
identify sidechain Q/N/R GSSs based on peak patterns, merging peaks into same GSS
HNCO: group peaks into GSS based on chemical shift matching; identify artifact peaks based on intensity and peak pattern
resolve overlap in NHSQC using HNCO; pick additional peaks based on chemical shift matching and intensity
clean up HNCACB and CCONH-Tocsy peak picks: identify artifacts based on peak patterns; pick additional peaks based on intensity and inter-spectra matching
group HNCACB and CCONH-Tocsy peaks into GSSs based on chemical shift matching

assign all resonances in HNCO as H-N-CO(i-1) as a good default -- but will have to fix sidechains

assign atomtypes to resonances in GSSs 1-17 based on peak sign and HNCACB/CCONH-Tocsy overlap
resonance typing in GSSs 18-54 based on peak sign and HNCACB/CCONH-Tocsy overlap