============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 0 rings ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yvcE1 MET 7 HA 0.00 -0.07 0.24 -0.75 4.52 3.93 2yvcE1 ASP 8 H 0.00 0.23 0.16 -0.55 8.40 8.24 2yvcE1 ASP 8 HA 0.00 0.02 0.34 -0.75 4.63 4.23 2yvcE1 ILE 9 H 0.00 0.26 0.20 -0.55 8.25 8.16 2yvcE1 ILE 9 HA 0.00 0.16 0.71 -0.75 4.18 4.29 2yvcE1 THR 10 H 0.00 0.31 0.18 -0.55 8.28 8.22 2yvcE1 THR 10 HA 0.00 0.03 0.47 -0.75 4.39 4.13 2yvcE1 ASP 11 H 0.00 0.09 0.04 -0.55 8.40 7.99 2yvcE1 ASP 11 HA 0.00 0.16 0.32 -0.75 4.63 4.36