============================================================================= 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 ============================================================================= 2r5mL1 ARG 386 HA 0.00 -0.01 0.03 -0.75 4.34 3.61 2r5mL1 ARG 386 HB2 0.00 -0.01 0.03 -0.04 1.90 1.87 2r5mL1 ARG 386 HB3 0.00 0.00 0.04 -0.04 1.80 1.80 2r5mL1 ARG 386 HG2 0.00 -0.01 0.01 -0.04 1.67 1.63 2r5mL1 ARG 386 HG3 0.00 -0.02 0.01 -0.04 1.67 1.62 2r5mL1 ARG 386 HD2 0.00 -0.01 0.00 -0.04 3.22 3.17 2r5mL1 ARG 386 HD3 0.00 0.02 -0.00 -0.04 3.22 3.20 2r5mL1 SER 388 HA 0.00 -0.01 0.07 -0.75 4.49 3.79 2r5mL1 SER 388 HB2 0.00 -0.02 0.01 -0.04 3.95 3.90 2r5mL1 SER 388 HB3 0.00 -0.01 -0.01 -0.04 3.93 3.87