spin dynamics

sequence dependent random coil corrections

GOAL: make a script that takes sequence as an input and returns a sequence-dependent corrections of random coil chemical shifts of CA, CO, HN, N and HA.

References:

1. Sequence-depent Correction of Random Coil NMR Chemical Shifts (JACS, 2001, 123, 2970-2978)
2. Random coil chemical shifts in acidic 8M urea:Implementation of random coil shift data in NMRView (JBNMR, 2000, 18, 43-48)

Author Kuen-Phon Wu, Dept Chem, Rutgers University May 19th, 2006

snapshot of results of all HN,HA,CA,CB,CO and N