============================================================================= 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 ============================================================================= 1h0iC1 ARG 2 HA 0.00 0.10 0.19 -0.75 4.34 3.88 1h0iC1 ARG 2 HB2 0.00 -0.01 0.04 -0.04 1.90 1.88 1h0iC1 ARG 2 HB3 0.00 -0.03 0.06 -0.04 1.80 1.78 1h0iC1 ARG 2 HG2 0.00 0.01 0.02 -0.04 1.67 1.65 1h0iC1 ARG 2 HG3 0.00 -0.02 -0.03 -0.04 1.67 1.57 1h0iC1 ARG 2 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.17 1h0iC1 ARG 2 HD3 0.00 -0.02 0.01 -0.04 3.22 3.17 1h0iC1 ALA 3 HA 0.00 -0.10 -0.45 -0.75 4.34 3.04 1h0iC1 ALA 3 HB3 0.00 -0.11 -0.06 -0.04 1.41 1.19 1h0iC1 ASP 4 HA 0.00 -0.67 1.13 -0.75 4.63 4.33 1h0iC1 ASP 4 HB2 0.00 -0.22 0.12 -0.04 2.71 2.57 1h0iC1 ASP 4 HB3 0.00 -0.14 0.13 -0.04 2.70 2.65 1h0iC1 ASP 5 HA 0.00 -1.59 0.27 -0.75 4.63 2.55 1h0iC1 ASP 5 HB2 0.00 -0.20 0.20 -0.04 2.71 2.67 1h0iC1 ASP 5 HB3 0.00 0.15 0.41 -0.04 2.70 3.22