============================================================================= 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 ============================================================================= 1z7z51 LEU 235 HA 0.00 -0.09 0.21 -0.75 4.35 3.71 1z7z51 LEU 235 HB2 0.00 -0.05 0.01 -0.04 1.64 1.56 1z7z51 LEU 235 HB3 0.00 0.01 0.05 -0.04 1.64 1.66 1z7z51 LEU 235 HG 0.00 -0.02 -0.07 -0.04 1.64 1.51 1z7z51 LEU 235 HD13 0.00 0.00 -0.01 -0.04 0.93 0.88 1z7z51 LEU 235 HD23 0.00 0.01 0.02 -0.04 0.89 0.87 1z7z51 ILE 236 H 0.00 0.08 0.05 -0.55 8.25 7.84 1z7z51 ILE 236 HA 0.00 0.03 0.29 -0.75 4.18 3.74 1z7z51 ILE 236 HB 0.00 -0.01 0.09 -0.04 1.89 1.93 1z7z51 ILE 236 HG12 0.00 -0.01 -0.50 -0.04 1.49 0.95 1z7z51 ILE 236 HG13 0.00 -0.02 -0.08 -0.04 1.21 1.07 1z7z51 ILE 236 HG23 0.00 0.00 0.03 -0.04 0.93 0.93 1z7z51 ILE 236 HD13 0.00 0.00 -0.06 -0.04 0.88 0.78 1z7z51 GLY 237 H 0.00 0.09 -0.15 -0.55 8.43 7.82 1z7z51 GLY 237 HA2 0.00 0.02 0.32 -0.51 4.01 3.84 1z7z51 GLY 237 HA3 0.00 0.09 0.88 -0.51 4.01 4.47 1z7z51 ARG 238 H 0.00 0.12 0.04 -0.55 8.46 8.06 1z7z51 ARG 238 HA 0.00 0.03 0.37 -0.75 4.34 3.99 1z7z51 ARG 238 HB2 0.00 0.15 0.19 -0.04 1.90 2.19 1z7z51 ARG 238 HB3 0.00 -0.08 -0.29 -0.04 1.80 1.39 1z7z51 ARG 238 HG2 0.00 0.21 -0.33 -0.04 1.67 1.51 1z7z51 ARG 238 HG3 0.00 -0.06 -0.01 -0.04 1.67 1.56 1z7z51 ARG 238 HD2 0.00 -0.02 -0.02 -0.04 3.22 3.13 1z7z51 ARG 238 HD3 0.00 -0.02 -0.08 -0.04 3.22 3.08 1z7z51 THR 239 H 0.00 0.05 0.06 -0.55 8.28 7.84 1z7z51 THR 239 HA 0.00 0.05 0.21 -0.75 4.39 3.90 1z7z51 THR 239 HB 0.00 0.01 0.10 -0.04 4.32 4.39 1z7z51 THR 239 HG23 0.00 -0.02 -0.06 -0.04 1.22 1.10