============================================================================= 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 ============================================================================= 3gv4H1 LEU 73 HA 0.00 -0.02 0.08 -0.75 4.35 3.65 3gv4H1 LEU 73 HB2 0.00 -0.02 0.08 -0.04 1.64 1.66 3gv4H1 LEU 73 HB3 0.00 -0.01 0.04 -0.04 1.64 1.63 3gv4H1 LEU 73 HG 0.00 -0.01 -0.03 -0.04 1.64 1.56 3gv4H1 LEU 73 HD13 0.00 -0.00 -0.24 -0.04 0.93 0.65 3gv4H1 LEU 73 HD23 0.00 -0.00 -0.01 -0.04 0.89 0.84 3gv4H1 ARG 74 H 0.00 0.16 0.08 -0.55 8.46 8.15 3gv4H1 ARG 74 HA 0.00 0.03 0.76 -0.75 4.34 4.38 3gv4H1 ARG 74 HB2 0.00 -0.01 0.10 -0.04 1.90 1.96 3gv4H1 ARG 74 HB3 0.00 0.04 0.07 -0.04 1.80 1.88 3gv4H1 ARG 74 HG2 0.00 -0.00 0.06 -0.04 1.67 1.69 3gv4H1 ARG 74 HG3 0.00 -0.01 0.04 -0.04 1.67 1.66 3gv4H1 ARG 74 HD2 0.00 0.03 0.06 -0.04 3.22 3.27 3gv4H1 ARG 74 HD3 0.00 -0.02 0.00 -0.04 3.22 3.16 3gv4H1 GLY 75 H 0.00 0.08 0.09 -0.55 8.43 8.05 3gv4H1 GLY 75 HA2 0.00 0.11 0.49 -0.51 4.01 4.10 3gv4H1 GLY 75 HA3 0.00 0.00 0.29 -0.51 4.01 3.79 3gv4H1 GLY 76 H 0.00 0.12 0.04 -0.55 8.43 8.04 3gv4H1 GLY 76 HA2 0.00 0.03 0.18 -0.51 4.01 3.71 3gv4H1 GLY 76 HA3 0.00 0.14 0.24 -0.51 4.01 3.88