============================================================================= 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 ============================================================================= 2ovhB1 GLY 2262 HA2 0.00 0.01 0.21 -0.51 4.01 3.72 2ovhB1 GLY 2262 HA3 0.00 0.07 0.16 -0.51 4.01 3.73 2ovhB1 LEU 2263 H 0.00 0.28 0.15 -0.55 8.37 8.25 2ovhB1 LEU 2263 HA 0.00 0.12 0.64 -0.75 4.35 4.36 2ovhB1 LEU 2263 HB2 0.00 0.03 0.10 -0.04 1.64 1.73 2ovhB1 LEU 2263 HB3 0.00 0.01 0.08 -0.04 1.64 1.68 2ovhB1 LEU 2263 HG 0.00 0.04 0.06 -0.04 1.64 1.69 2ovhB1 LEU 2263 HD13 0.00 0.01 0.01 -0.04 0.93 0.92 2ovhB1 LEU 2263 HD23 0.00 0.00 -0.07 -0.04 0.89 0.78 2ovhB1 GLU 2264 H 0.00 0.22 -0.03 -0.55 8.60 8.24 2ovhB1 GLU 2264 HA 0.00 0.08 0.37 -0.75 4.29 3.98 2ovhB1 GLU 2264 HB2 0.00 0.04 0.10 -0.04 2.09 2.19 2ovhB1 GLU 2264 HB3 0.00 0.02 0.05 -0.04 1.99 2.02 2ovhB1 GLU 2264 HG2 0.00 0.02 -0.27 -0.04 2.34 2.05 2ovhB1 GLU 2264 HG3 0.00 -0.01 0.03 -0.04 2.34 2.33 2ovhB1 ALA 2265 H 0.00 0.17 -0.48 -0.55 8.40 7.55 2ovhB1 ALA 2265 HA 0.00 0.08 0.42 -0.75 4.34 4.09 2ovhB1 ALA 2265 HB3 0.00 0.05 0.04 -0.04 1.41 1.46 2ovhB1 ILE 2266 H 0.00 0.19 -0.18 -0.55 8.25 7.71 2ovhB1 ILE 2266 HA 0.00 0.06 0.45 -0.75 4.18 3.93 2ovhB1 ILE 2266 HB 0.00 0.06 0.21 -0.04 1.89 2.11 2ovhB1 ILE 2266 HG12 0.00 -0.01 0.04 -0.04 1.49 1.48 2ovhB1 ILE 2266 HG13 0.00 0.10 0.15 -0.04 1.21 1.41 2ovhB1 ILE 2266 HG23 0.00 -0.00 -0.07 -0.04 0.93 0.81 2ovhB1 ILE 2266 HD13 0.00 -0.01 0.01 -0.04 0.88 0.84 2ovhB1 ILE 2267 H 0.00 0.82 0.00 -0.55 8.25 8.52 2ovhB1 ILE 2267 HA 0.00 0.03 0.40 -0.75 4.18 3.86 2ovhB1 ILE 2267 HB 0.00 0.01 0.11 -0.04 1.89 1.97 2ovhB1 ILE 2267 HG12 0.00 -0.01 0.00 -0.04 1.49 1.44 2ovhB1 ILE 2267 HG13 0.00 0.11 0.04 -0.04 1.21 1.32 2ovhB1 ILE 2267 HG23 0.00 -0.00 -0.12 -0.04 0.93 0.76 2ovhB1 ILE 2267 HD13 0.00 -0.03 -0.09 -0.04 0.88 0.72 2ovhB1 ARG 2268 H 0.00 0.60 -0.13 -0.55 8.46 8.37 2ovhB1 ARG 2268 HA 0.00 0.02 0.39 -0.75 4.34 3.99 2ovhB1 ARG 2268 HB2 0.00 0.01 0.14 -0.04 1.90 2.01 2ovhB1 ARG 2268 HB3 0.00 0.05 0.19 -0.04 1.80 2.00 2ovhB1 ARG 2268 HG2 0.00 0.01 -0.26 -0.04 1.67 1.38 2ovhB1 ARG 2268 HG3 0.00 -0.02 0.02 -0.04 1.67 1.62 2ovhB1 ARG 2268 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.16 2ovhB1 ARG 2268 HD3 0.00 -0.01 -0.03 -0.04 3.22 3.13 2ovhB1 LYS 2269 H 0.00 0.50 -0.16 -0.55 8.42 8.21 2ovhB1 LYS 2269 HA 0.00 0.01 0.44 -0.75 4.32 4.02 2ovhB1 ALA 2270 H 0.00 0.51 -0.18 -0.55 8.40 8.19 2ovhB1 ALA 2270 HA 0.00 -0.03 0.44 -0.75 4.34 4.00 2ovhB1 ALA 2270 HB3 0.00 0.00 0.10 -0.04 1.41 1.47 2ovhB1 LEU 2271 H 0.00 0.42 -0.28 -0.55 8.37 7.97 2ovhB1 LEU 2271 HA 0.00 0.03 0.44 -0.75 4.35 4.06 2ovhB1 LEU 2271 HB2 0.00 0.11 0.15 -0.04 1.64 1.86 2ovhB1 LEU 2271 HB3 0.00 -0.04 -0.03 -0.04 1.64 1.53 2ovhB1 LEU 2271 HG 0.00 0.03 0.01 -0.04 1.64 1.64 2ovhB1 LEU 2271 HD13 0.00 -0.03 -0.06 -0.04 0.93 0.79 2ovhB1 LEU 2271 HD23 0.00 -0.01 0.00 -0.04 0.89 0.84 2ovhB1 MET 2272 H 0.00 0.26 -0.21 -0.55 8.47 7.97 2ovhB1 MET 2272 HA 0.00 0.04 0.47 -0.75 4.52 4.28 2ovhB1 MET 2272 HB2 0.00 -0.02 0.13 -0.04 2.15 2.22 2ovhB1 MET 2272 HB3 0.00 -0.07 0.06 -0.04 2.03 1.99 2ovhB1 MET 2272 HG2 0.00 0.25 0.20 -0.04 2.63 3.04 2ovhB1 MET 2272 HG3 0.00 -0.12 0.02 -0.04 2.56 2.42 2ovhB1 MET 2272 HE3 0.00 -0.04 -0.01 -0.04 2.10 2.00 2ovhB1 GLY 2273 H 0.00 0.29 -0.02 -0.55 8.43 8.15 2ovhB1 GLY 2273 HA2 0.00 -0.09 0.27 -0.51 4.01 3.68 2ovhB1 GLY 2273 HA3 0.00 -0.08 0.35 -0.51 4.01 3.77 2ovhB1 LYS 2274 H 0.00 0.02 -0.01 -0.55 8.42 7.88 2ovhB1 LYS 2274 HA 0.00 0.09 0.33 -0.75 4.32 3.98