============================================================================= 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 ============================================================================= 1b5gR1 ARG 372 HA 0.00 0.00 0.00 -0.75 4.34 3.59 1b5gR1 ARG 372 HB2 0.00 0.00 0.00 -0.04 1.90 1.86 1b5gR1 ARG 372 HB3 0.00 0.00 0.00 -0.04 1.80 1.76 1b5gR1 ARG 372 HG2 0.00 0.00 0.00 -0.04 1.67 1.63 1b5gR1 ARG 372 HG3 0.00 0.00 0.00 -0.04 1.67 1.63 1b5gR1 ARG 372 HD2 0.00 0.00 0.00 -0.04 3.22 3.18 1b5gR1 ARG 372 HD3 0.00 0.00 0.00 -0.04 3.22 3.18