============================================================================= 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 ============================================================================= 1ol1F1 LEU 502 HA 0.00 -0.08 0.23 -0.75 4.35 3.74 1ol1F1 LEU 502 HB2 0.00 -0.03 0.11 -0.04 1.64 1.68 1ol1F1 LEU 502 HB3 0.00 0.02 -0.02 -0.04 1.64 1.60 1ol1F1 LEU 502 HG 0.00 -0.01 0.04 -0.04 1.64 1.63 1ol1F1 LEU 502 HD13 0.00 -0.00 0.01 -0.04 0.93 0.90 1ol1F1 LEU 502 HD23 0.00 -0.00 0.02 -0.04 0.89 0.87 1ol1F1 ILE 503 H 0.00 0.08 0.00 -0.55 8.25 7.78 1ol1F1 ILE 503 HA 0.00 0.22 0.63 -0.75 4.18 4.28 1ol1F1 ILE 503 HB 0.00 -0.01 0.07 -0.04 1.89 1.91 1ol1F1 ILE 503 HG12 0.00 -0.05 0.06 -0.04 1.49 1.46 1ol1F1 ILE 503 HG13 0.00 -0.00 0.03 -0.04 1.21 1.19 1ol1F1 ILE 503 HG23 0.00 0.01 0.03 -0.04 0.93 0.93 1ol1F1 ILE 503 HD13 0.00 0.02 -0.05 -0.04 0.88 0.80