============================================================================= 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 ============================================================================= 2f9pH1 LEU 302 HA 0.00 -0.05 0.14 -0.75 4.35 3.68 2f9pH1 LEU 302 HB2 0.00 0.02 0.09 -0.04 1.64 1.70 2f9pH1 LEU 302 HB3 0.00 -0.14 0.14 -0.04 1.64 1.60 2f9pH1 LEU 302 HG 0.00 -0.00 0.03 -0.04 1.64 1.62 2f9pH1 LEU 302 HD13 0.00 -0.00 -0.02 -0.04 0.93 0.87 2f9pH1 LEU 302 HD23 0.00 -0.00 0.02 -0.04 0.89 0.87 2f9pH1 LEU 303 H 0.00 0.04 0.08 -0.55 8.37 7.95 2f9pH1 LEU 303 HA 0.00 -0.03 0.47 -0.75 4.35 4.04 2f9pH1 LEU 303 HB2 0.00 -0.02 0.13 -0.04 1.64 1.71 2f9pH1 LEU 303 HB3 0.00 0.10 -0.04 -0.04 1.64 1.67 2f9pH1 LEU 303 HG 0.00 -0.04 0.04 -0.04 1.64 1.60 2f9pH1 LEU 303 HD13 0.00 -0.00 0.02 -0.04 0.93 0.90 2f9pH1 LEU 303 HD23 0.00 -0.00 0.02 -0.04 0.89 0.87 2f9pH1 ARG 304 H 0.00 0.00 0.10 -0.55 8.46 8.01 2f9pH1 ARG 304 HA 0.00 0.26 0.63 -0.75 4.34 4.48 2f9pH1 ARG 304 HB2 0.00 -0.03 0.10 -0.04 1.90 1.93 2f9pH1 ARG 304 HB3 0.00 -0.01 0.06 -0.04 1.80 1.80 2f9pH1 ARG 304 HG2 0.00 0.05 -0.13 -0.04 1.67 1.54 2f9pH1 ARG 304 HG3 0.00 0.20 -0.10 -0.04 1.67 1.73 2f9pH1 ARG 304 HD2 0.00 -0.04 0.02 -0.04 3.22 3.15 2f9pH1 ARG 304 HD3 0.00 -0.04 0.00 -0.04 3.22 3.14