============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 5 0.900 -7.418 20.921 51.965 -99.200 -91.000 TRP 47 1.040 -2.658 25.024 39.802 -99.200 -91.000 TRP6 47 1.020 -1.116 26.077 38.347 -99.200 -91.000 TRP 51 1.040 -13.427 27.260 44.865 -99.200 -91.000 TRP6 51 1.020 -12.744 25.898 46.684 -99.200 -91.000 PHE 66 1.000 10.362 30.967 22.013 -99.200 -91.000 PHE 79 1.000 2.816 35.887 24.837 -99.200 -91.000 HIS 115 0.900 15.734 43.197 29.147 -99.200 -91.000 TRP 126 1.040 1.010 17.258 22.541 -99.200 -91.000 TRP6 126 1.020 0.477 19.514 22.995 -99.200 -91.000 PHE 132 1.000 6.580 22.462 33.972 -99.200 -91.000 PHE 136 1.000 4.003 25.452 37.802 -99.200 -91.000 PHE 151 1.000 17.190 24.120 66.685 -99.200 -91.000 PHE 153 1.000 16.875 23.888 55.520 -99.200 -91.000 TRP 159 1.040 13.998 15.778 48.056 -99.200 -91.000 TRP6 159 1.020 11.917 15.276 47.054 -99.200 -91.000 TRP 176 1.040 27.738 4.733 64.461 -99.200 -91.000 TRP6 176 1.020 28.014 6.863 65.463 -99.200 -91.000 TYR 198 0.840 36.844 4.211 66.740 -99.200 -91.000 TYR 208 0.840 36.292 10.877 70.235 -99.200 -91.000 PHE 212 1.000 46.839 7.140 77.767 -99.200 -91.000 TYR 244 0.840 37.120 15.334 71.287 -99.200 -91.000 HIS 253 0.900 22.854 27.734 72.175 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ziuB1 GLU 247 HA -0.06 -0.03 0.14 -0.75 4.29 3.59 2ziuB1 GLU 247 HB2 0.01 -0.02 0.06 -0.04 2.09 2.10 2ziuB1 GLU 247 HB3 0.03 0.01 -0.02 -0.04 1.99 1.97 2ziuB1 GLU 247 HG2 0.19 0.05 0.07 -0.04 2.34 2.61 2ziuB1 GLU 247 HG3 -0.01 -0.00 0.08 -0.04 2.34 2.36 2ziuB1 CYS 248 H 0.00 0.19 0.10 -0.55 8.50 8.24 2ziuB1 CYS 248 HA 0.08 0.16 0.51 -0.75 4.58 4.57 2ziuB1 CYS 248 HB2 0.00 -0.12 0.14 -0.04 2.97 2.95 2ziuB1 CYS 248 HB3 0.00 0.10 0.02 -0.04 2.97 3.05 2ziuB1 LEU 249 H -0.00 0.05 0.07 -0.55 8.37 7.94 2ziuB1 LEU 249 HA 0.01 0.15 0.31 -0.75 4.35 4.06 2ziuB1 LEU 249 HB2 -0.01 -0.07 -0.01 -0.04 1.64 1.52 2ziuB1 LEU 249 HB3 0.01 0.05 -0.20 -0.04 1.64 1.45 2ziuB1 LEU 249 HG 0.00 -0.02 0.06 -0.04 1.64 1.63 2ziuB1 LEU 249 HD13 0.01 -0.02 0.03 -0.04 0.93 0.92 2ziuB1 LEU 249 HD23 0.01 0.02 -0.10 -0.04 0.89 0.78 2ziuB1 LYS 250 H -0.08 -0.02 -0.46 -0.55 8.42 7.30 2ziuB1 LYS 250 HA -0.07 0.29 0.37 -0.75 4.32 4.15 2ziuB1 LYS 250 HB2 -0.50 0.12 -0.07 -0.04 1.87 1.38 2ziuB1 LYS 250 HB3 -0.21 -0.01 0.03 -0.04 1.79 1.56 2ziuB1 LYS 250 HG2 -0.07 0.02 0.06 -0.04 1.46 1.44 2ziuB1 LYS 250 HG3 -0.09 -0.13 -0.05 -0.04 1.46 1.15 2ziuB1 LYS 250 HD2 -0.13 0.05 0.03 -0.04 1.69 1.60 2ziuB1 LYS 250 HD3 -0.07 -0.01 0.03 -0.04 1.68 1.58 2ziuB1 LYS 250 HE2 -0.03 0.13 0.07 -0.04 2.99 3.12 2ziuB1 LYS 250 HE3 -0.02 -0.04 0.03 -0.04 2.99 2.92 2ziuB1 HIS 251 H -0.13 0.30 -0.48 -0.55 8.41 7.56 2ziuB1 HIS 251 HA 0.06 0.06 0.59 -0.75 4.63 4.59 2ziuB1 HIS 251 HB2 0.00 0.11 0.09 -0.04 3.26 3.42 2ziuB1 HIS 251 HB3 0.04 -0.01 0.22 -0.04 3.20 3.40 2ziuB1 HIS 251 HD2 0.01 0.17 0.17 -0.04 6.97 7.27 2ziuB1 HIS 251 HE1 0.04 -0.08 -0.00 -0.04 7.75 7.66 2ziuB1 ILE 252 H -0.01 0.76 -0.29 -0.55 8.25 8.16 2ziuB1 ILE 252 HA -0.09 0.45 1.30 -0.75 4.18 5.09 2ziuB1 ILE 252 HB 0.03 0.05 0.13 -0.04 1.89 2.05 2ziuB1 ILE 252 HG12 0.02 0.01 -0.21 -0.04 1.49 1.26 2ziuB1 ILE 252 HG13 -0.01 -0.07 -0.11 -0.04 1.21 0.98 2ziuB1 ILE 252 HG23 0.17 -0.06 -0.30 -0.04 0.93 0.70 2ziuB1 ILE 252 HD13 0.01 0.07 -0.07 -0.04 0.88 0.85 2ziuB1 ILE 253 H -0.18 0.59 0.34 -0.55 8.25 8.45 2ziuB1 ILE 253 HA -0.11 0.26 0.97 -0.75 4.18 4.54 2ziuB1 ILE 253 HB -0.46 -0.13 0.07 -0.04 1.89 1.34 2ziuB1 ILE 253 HG12 -0.84 -0.08 -0.12 -0.04 1.49 0.41 2ziuB1 ILE 253 HG13 -0.30 0.09 -0.16 -0.04 1.21 0.80 2ziuB1 ILE 253 HG23 -0.16 -0.00 -0.23 -0.04 0.93 0.50 2ziuB1 ILE 253 HD13 -1.49 -0.03 -0.32 -0.04 0.88 -1.01 2ziuB1 VAL 254 H -0.05 0.45 0.09 -0.55 8.24 8.18 2ziuB1 VAL 254 HA -0.34 0.22 0.89 -0.75 4.13 4.15 2ziuB1 VAL 254 HB -0.07 -0.07 -0.01 -0.04 2.12 1.93 2ziuB1 VAL 254 HG13 -0.37 -0.00 -0.12 -0.04 0.97 0.44 2ziuB1 VAL 254 HG23 0.20 0.01 -0.14 -0.04 0.95 0.98 2ziuB1 VAL 255 H -0.49 0.56 0.20 -0.55 8.24 7.95 2ziuB1 VAL 255 HA -0.15 0.24 1.10 -0.75 4.13 4.57 2ziuB1 VAL 255 HB -0.22 -0.10 0.05 -0.04 2.12 1.81 2ziuB1 VAL 255 HG13 -0.09 -0.00 -0.21 -0.04 0.97 0.62 2ziuB1 VAL 255 HG23 -0.14 0.03 -0.27 -0.04 0.95 0.53 2ziuB1 LEU 256 H -0.12 0.60 0.37 -0.55 8.37 8.68 2ziuB1 LEU 256 HA -0.17 0.25 1.11 -0.75 4.35 4.77 2ziuB1 LEU 256 HB2 -0.08 -0.01 -0.03 -0.04 1.64 1.48 2ziuB1 LEU 256 HB3 -0.09 -0.09 0.04 -0.04 1.64 1.45 2ziuB1 LEU 256 HG -0.19 0.05 -0.31 -0.04 1.64 1.16 2ziuB1 LEU 256 HD13 -0.10 0.02 -0.12 -0.04 0.93 0.69 2ziuB1 LEU 256 HD23 -0.06 -0.01 -0.13 -0.04 0.89 0.64 2ziuB1 ASP 257 H -0.08 0.15 0.22 -0.55 8.40 8.15 2ziuB1 ASP 257 HA -0.05 0.57 0.92 -0.75 4.63 5.32 2ziuB1 ASP 257 HB2 -0.05 0.31 0.21 -0.04 2.71 3.13 2ziuB1 ASP 257 HB3 -0.04 -0.20 0.29 -0.04 2.70 2.71 2ziuB1 PRO 258 HA -0.03 0.08 0.36 -0.51 4.44 4.34 2ziuB1 PRO 258 HB2 -0.02 0.03 -0.02 -0.04 2.28 2.23 2ziuB1 PRO 258 HB3 -0.02 0.11 0.05 -0.04 2.02 2.11 2ziuB1 PRO 258 HG2 -0.01 -0.14 0.12 -0.04 2.03 1.96 2ziuB1 PRO 258 HG3 -0.01 0.10 0.01 -0.04 2.03 2.08 2ziuB1 PRO 258 HD2 -0.02 0.13 0.31 -0.04 3.68 4.06 2ziuB1 PRO 258 HD3 -0.03 0.26 0.00 -0.04 3.65 3.84 2ziuB1 VAL 259 H -0.01 0.16 -0.09 -0.55 8.24 7.75 2ziuB1 VAL 259 HA -0.01 0.11 0.32 -0.75 4.13 3.79 2ziuB1 VAL 259 HB 0.01 0.06 0.05 -0.04 2.12 2.19 2ziuB1 VAL 259 HG13 0.00 0.02 0.06 -0.04 0.97 1.01 2ziuB1 VAL 259 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 2ziuB1 LEU 260 H -0.02 0.16 -0.37 -0.55 8.37 7.60 2ziuB1 LEU 260 HA 0.02 0.04 0.42 -0.75 4.35 4.07 2ziuB1 LEU 260 HB2 -0.01 -0.15 0.13 -0.04 1.64 1.57 2ziuB1 LEU 260 HB3 -0.03 0.30 0.22 -0.04 1.64 2.08 2ziuB1 LEU 260 HG 0.00 -0.04 -0.27 -0.04 1.64 1.30 2ziuB1 LEU 260 HD13 0.05 0.02 -0.05 -0.04 0.93 0.90 2ziuB1 LEU 260 HD23 -0.05 0.03 -0.14 -0.04 0.89 0.68 2ziuB1 LEU 261 H -0.04 0.46 -0.04 -0.55 8.37 8.20 2ziuB1 LEU 261 HA -0.07 -0.06 0.50 -0.75 4.35 3.96 2ziuB1 LEU 261 HB2 -0.04 0.11 0.02 -0.04 1.64 1.69 2ziuB1 LEU 261 HB3 -0.05 -0.04 0.00 -0.04 1.64 1.50 2ziuB1 LEU 261 HG -0.05 0.04 -0.06 -0.04 1.64 1.53 2ziuB1 LEU 261 HD13 -0.04 0.00 -0.19 -0.04 0.93 0.66 2ziuB1 LEU 261 HD23 -0.05 -0.00 -0.05 -0.04 0.89 0.75 2ziuB1 GLN 262 H -0.04 0.35 -0.41 -0.55 8.47 7.82 2ziuB1 GLN 262 HA -0.06 0.06 0.51 -0.75 4.36 4.11 2ziuB1 GLN 262 HB2 -0.03 -0.01 0.11 -0.04 2.15 2.19 2ziuB1 GLN 262 HB3 -0.03 -0.06 0.12 -0.04 2.02 2.01 2ziuB1 GLN 262 HG2 -0.03 -0.01 -0.01 -0.04 2.40 2.30 2ziuB1 GLN 262 HG3 -0.03 0.08 -0.14 -0.04 2.39 2.26 2ziuB1 GLN 262 HE21 -0.01 -0.00 -0.08 -0.04 6.97 6.83 2ziuB1 GLN 262 HE22 -0.02 -0.03 -0.20 -0.04 7.69 7.40 2ziuB1 MET 263 H -0.11 0.22 -0.69 -0.55 8.47 7.34 2ziuB1 MET 263 HA -0.10 0.16 0.78 -0.75 4.52 4.61 2ziuB1 MET 263 HB2 -0.17 0.12 0.12 -0.04 2.15 2.18 2ziuB1 MET 263 HB3 -0.12 -0.16 0.12 -0.04 2.03 1.82 2ziuB1 MET 263 HG2 0.02 -0.02 -0.04 -0.04 2.63 2.55 2ziuB1 MET 263 HG3 0.00 0.37 0.15 -0.04 2.56 3.04 2ziuB1 MET 263 HE3 0.13 -0.02 0.05 -0.04 2.10 2.21 2ziuB1 GLU 264 H -0.25 0.17 0.15 -0.55 8.60 8.13 2ziuB1 GLU 264 HA -0.30 0.13 0.34 -0.75 4.29 3.70 2ziuB1 GLU 264 HB2 -0.31 -0.04 0.10 -0.04 2.09 1.79 2ziuB1 GLU 264 HB3 -0.23 0.02 0.11 -0.04 1.99 1.85 2ziuB1 GLU 264 HG2 -0.07 0.06 0.09 -0.04 2.34 2.38 2ziuB1 GLU 264 HG3 -0.04 -0.01 0.16 -0.04 2.34 2.40 2ziuB1 GLY 265 H -1.50 0.06 -0.58 -0.55 8.43 5.86 2ziuB1 GLY 265 HA2 -0.63 0.18 0.92 -0.51 4.01 3.97 2ziuB1 GLY 265 HA3 -1.15 -0.04 0.26 -0.51 4.01 2.57 2ziuB1 GLY 266 H -0.37 0.83 -0.02 -0.55 8.43 8.31 2ziuB1 GLY 266 HA2 -0.11 0.02 0.39 -0.51 4.01 3.80 2ziuB1 GLY 266 HA3 -0.14 0.39 0.49 -0.51 4.01 4.24 2ziuB1 GLY 267 H -0.14 0.19 -0.15 -0.55 8.43 7.78 2ziuB1 GLY 267 HA2 -0.05 0.12 0.40 -0.51 4.01 3.96 2ziuB1 GLY 267 HA3 -0.07 0.08 0.25 -0.51 4.01 3.76 2ziuB1 GLN 268 H -0.09 0.08 -0.22 -0.55 8.47 7.70 2ziuB1 GLN 268 HA 0.00 0.06 0.38 -0.75 4.36 4.05 2ziuB1 GLN 268 HB2 -0.03 -0.01 0.10 -0.04 2.15 2.16 2ziuB1 GLN 268 HB3 0.03 0.08 0.06 -0.04 2.02 2.16 2ziuB1 GLN 268 HG2 0.08 0.04 -0.14 -0.04 2.40 2.35 2ziuB1 GLN 268 HG3 0.04 0.03 0.01 -0.04 2.39 2.44 2ziuB1 GLN 268 HE21 0.13 -0.11 -0.05 -0.04 6.97 6.90 2ziuB1 GLN 268 HE22 0.08 0.08 -0.04 -0.04 7.69 7.77 2ziuB1 LEU 269 H -0.01 0.65 -0.18 -0.55 8.37 8.29 2ziuB1 LEU 269 HA 0.07 -0.03 0.36 -0.75 4.35 4.00 2ziuB1 LEU 269 HB2 0.06 0.05 0.05 -0.04 1.64 1.76 2ziuB1 LEU 269 HB3 0.01 0.09 0.09 -0.04 1.64 1.79 2ziuB1 LEU 269 HG 0.11 -0.06 -0.13 -0.04 1.64 1.52 2ziuB1 LEU 269 HD13 0.03 -0.00 -0.14 -0.04 0.93 0.78 2ziuB1 LEU 269 HD23 0.04 0.01 -0.17 -0.04 0.89 0.73 2ziuB1 LEU 270 H -0.02 0.71 -0.01 -0.55 8.37 8.51 2ziuB1 LEU 270 HA -0.01 0.02 0.36 -0.75 4.35 3.98 2ziuB1 LEU 270 HB2 -0.03 -0.03 0.07 -0.04 1.64 1.62 2ziuB1 LEU 270 HB3 -0.03 0.02 0.13 -0.04 1.64 1.72 2ziuB1 LEU 270 HG -0.01 0.02 -0.26 -0.04 1.64 1.34 2ziuB1 LEU 270 HD13 -0.02 -0.00 -0.04 -0.04 0.93 0.83 2ziuB1 LEU 270 HD23 -0.03 -0.02 -0.08 -0.04 0.89 0.73 2ziuB1 GLY 271 H -0.00 0.86 -0.13 -0.55 8.43 8.61 2ziuB1 GLY 271 HA2 0.00 0.02 0.40 -0.51 4.01 3.92 2ziuB1 GLY 271 HA3 0.00 -0.00 0.29 -0.51 4.01 3.79 2ziuB1 ALA 272 H 0.03 0.55 -0.17 -0.55 8.40 8.25 2ziuB1 ALA 272 HA 0.03 -0.02 0.41 -0.75 4.34 4.00 2ziuB1 ALA 272 HB3 0.05 0.02 0.09 -0.04 1.41 1.53 2ziuB1 LEU 273 H 0.03 0.52 -0.05 -0.55 8.37 8.33 2ziuB1 LEU 273 HA 0.05 -0.04 0.39 -0.75 4.35 3.99 2ziuB1 LEU 273 HB2 0.01 0.07 0.03 -0.04 1.64 1.71 2ziuB1 LEU 273 HB3 0.03 -0.00 -0.02 -0.04 1.64 1.61 2ziuB1 LEU 273 HG 0.04 0.13 0.01 -0.04 1.64 1.78 2ziuB1 LEU 273 HD13 -0.00 -0.03 -0.15 -0.04 0.93 0.70 2ziuB1 LEU 273 HD23 0.10 -0.01 -0.11 -0.04 0.89 0.82 2ziuB1 GLN 274 H 0.02 0.30 -0.63 -0.55 8.47 7.61 2ziuB1 GLN 274 HA 0.01 0.17 0.56 -0.75 4.36 4.34 2ziuB1 GLN 274 HB2 0.01 0.19 0.18 -0.04 2.15 2.49 2ziuB1 GLN 274 HB3 0.01 -0.07 0.01 -0.04 2.02 1.93 2ziuB1 GLN 274 HG2 0.01 -0.04 0.07 -0.04 2.40 2.39 2ziuB1 GLN 274 HG3 0.00 0.01 0.04 -0.04 2.39 2.40 2ziuB1 GLN 274 HE21 -0.01 -0.10 -0.09 -0.04 6.97 6.73 2ziuB1 GLN 274 HE22 -0.00 0.01 -0.04 -0.04 7.69 7.62 2ziuB1 THR 275 H 0.02 0.35 -0.17 -0.55 8.28 7.94 2ziuB1 THR 275 HA 0.01 0.02 0.55 -0.75 4.39 4.22 2ziuB1 THR 275 HB 0.02 -0.09 0.06 -0.04 4.32 4.27 2ziuB1 THR 275 HG23 0.02 0.02 0.09 -0.04 1.22 1.31 2ziuB1 MET 276 H 0.03 0.14 -0.11 -0.55 8.47 7.97 2ziuB1 MET 276 HA 0.02 -0.03 0.34 -0.75 4.52 4.09 2ziuB1 MET 276 HB2 0.03 0.21 0.08 -0.04 2.15 2.44 2ziuB1 MET 276 HB3 0.03 -0.12 0.09 -0.04 2.03 1.99 2ziuB1 MET 276 HG2 0.03 -0.05 0.04 -0.04 2.63 2.60 2ziuB1 MET 276 HG3 0.03 0.10 0.09 -0.04 2.56 2.75 2ziuB1 MET 276 HE3 0.06 0.02 -0.01 -0.04 2.10 2.13 2ziuB1 GLU 277 H 0.01 0.02 0.11 -0.55 8.60 8.20 2ziuB1 GLU 277 HA 0.00 0.15 0.33 -0.75 4.29 4.02 2ziuB1 GLU 277 HB2 -0.01 -0.14 -0.01 -0.04 2.09 1.89 2ziuB1 GLU 277 HB3 -0.02 0.01 0.09 -0.04 1.99 2.03 2ziuB1 GLU 277 HG2 0.00 -0.02 0.09 -0.04 2.34 2.37 2ziuB1 GLU 277 HG3 -0.01 -0.04 0.06 -0.04 2.34 2.32 2ziuB1 CYS 278 H 0.02 0.00 -0.91 -0.55 8.50 7.07 2ziuB1 CYS 278 HA 0.01 0.33 0.74 -0.75 4.58 4.91 2ziuB1 CYS 278 HB2 0.05 -0.01 -0.15 -0.04 2.97 2.82 2ziuB1 CYS 278 HB3 0.05 -0.03 -0.08 -0.04 2.97 2.87 2ziuB1 ARG 279 H 0.00 0.48 0.30 -0.55 8.46 8.68 2ziuB1 ARG 279 HA 0.02 0.12 0.75 -0.75 4.34 4.47 2ziuB1 ARG 279 HB2 0.05 0.04 0.07 -0.04 1.90 2.02 2ziuB1 ARG 279 HB3 0.03 0.00 0.17 -0.04 1.80 1.96 2ziuB1 ARG 279 HG2 0.04 0.11 -0.23 -0.04 1.67 1.54 2ziuB1 ARG 279 HG3 0.06 -0.04 -0.01 -0.04 1.67 1.64 2ziuB1 ARG 279 HD2 0.11 -0.05 -0.16 -0.04 3.22 3.08 2ziuB1 ARG 279 HD3 0.11 -0.04 -0.11 -0.04 3.22 3.14 2ziuB1 CYS 280 H 0.00 0.16 0.17 -0.55 8.50 8.28 2ziuB1 CYS 280 HA -0.05 0.35 0.94 -0.75 4.58 5.07 2ziuB1 CYS 280 HB2 -0.01 -0.04 0.07 -0.04 2.97 2.94 2ziuB1 CYS 280 HB3 -0.04 -0.05 -0.04 -0.04 2.97 2.81 2ziuB1 VAL 281 H -0.07 0.63 0.42 -0.55 8.24 8.67 2ziuB1 VAL 281 HA -0.00 0.11 0.80 -0.75 4.13 4.28 2ziuB1 VAL 281 HB -0.04 0.04 -0.01 -0.04 2.12 2.07 2ziuB1 VAL 281 HG13 0.01 -0.03 -0.18 -0.04 0.97 0.73 2ziuB1 VAL 281 HG23 0.05 0.02 -0.23 -0.04 0.95 0.74 2ziuB1 ILE 282 H -0.01 0.18 0.08 -0.55 8.25 7.95 2ziuB1 ILE 282 HA -0.05 0.38 1.19 -0.75 4.18 4.94 2ziuB1 ILE 282 HB -0.02 -0.03 0.15 -0.04 1.89 1.95 2ziuB1 ILE 282 HG12 -0.04 0.01 -0.19 -0.04 1.49 1.23 2ziuB1 ILE 282 HG13 -0.03 -0.06 -0.51 -0.04 1.21 0.56 2ziuB1 ILE 282 HG23 -0.03 -0.01 -0.17 -0.04 0.93 0.68 2ziuB1 ILE 282 HD13 -0.03 -0.01 -0.11 -0.04 0.88 0.70 2ziuB1 GLU 283 H -0.04 0.38 0.14 -0.55 8.60 8.53 2ziuB1 GLU 283 HA -0.01 0.14 0.88 -0.75 4.29 4.55 2ziuB1 GLU 283 HB2 -0.02 0.08 -0.12 -0.04 2.09 1.99 2ziuB1 GLU 283 HB3 -0.01 -0.04 0.13 -0.04 1.99 2.03 2ziuB1 GLU 283 HG2 0.00 0.03 -0.20 -0.04 2.34 2.12 2ziuB1 GLU 283 HG3 -0.02 -0.10 -0.33 -0.04 2.34 1.86 2ziuB1 ALA 284 H -0.01 0.15 0.17 -0.55 8.40 8.16 2ziuB1 ALA 284 HA -0.02 0.02 0.75 -0.75 4.34 4.33 2ziuB1 ALA 284 HB3 -0.01 0.01 0.06 -0.04 1.41 1.43 2ziuB1 GLN 285 H -0.02 0.11 0.08 -0.55 8.47 8.10 2ziuB1 GLN 285 HA -0.02 0.24 0.95 -0.75 4.36 4.78 2ziuB1 GLN 285 HB2 -0.04 -0.02 -0.06 -0.04 2.15 1.98 2ziuB1 GLN 285 HB3 -0.04 -0.00 -0.11 -0.04 2.02 1.83 2ziuB1 GLN 285 HG2 -0.04 0.04 -0.09 -0.04 2.40 2.26 2ziuB1 GLN 285 HG3 -0.05 -0.02 -0.67 -0.04 2.39 1.62 2ziuB1 GLN 285 HE21 -0.16 0.09 -0.24 -0.04 6.97 6.62 2ziuB1 GLN 285 HE22 -0.08 -0.12 -0.15 -0.04 7.69 7.30 2ziuB1 ALA 286 H -0.01 0.21 0.06 -0.55 8.40 8.12 2ziuB1 ALA 286 HA 0.00 0.01 0.31 -0.75 4.34 3.90 2ziuB1 ALA 286 HB3 -0.00 0.01 0.03 -0.04 1.41 1.42 2ziuB1 VAL 287 H -0.01 0.05 -0.47 -0.55 8.24 7.27 2ziuB1 VAL 287 HA 0.03 0.22 1.05 -0.75 4.13 4.67 2ziuB1 VAL 287 HB -0.01 -0.00 -0.10 -0.04 2.12 1.97 2ziuB1 VAL 287 HG13 -0.02 -0.03 -0.08 -0.04 0.97 0.80 2ziuB1 VAL 287 HG23 0.03 0.02 -0.15 -0.04 0.95 0.81 2ziuB1 PRO 288 HA 0.01 -0.10 0.50 -0.51 4.44 4.34 2ziuB1 PRO 288 HB2 0.06 0.04 0.05 -0.04 2.28 2.39 2ziuB1 PRO 288 HB3 0.03 -0.06 0.09 -0.04 2.02 2.04 2ziuB1 PRO 288 HG2 0.05 0.03 0.09 -0.04 2.03 2.15 2ziuB1 PRO 288 HG3 0.03 0.03 0.08 -0.04 2.03 2.13 2ziuB1 PRO 288 HD2 0.08 0.08 0.22 -0.04 3.68 4.01 2ziuB1 PRO 288 HD3 0.04 0.35 0.24 -0.04 3.65 4.23 2ziuB1 CYS 289 H 0.01 -0.04 0.21 -0.55 8.50 8.13 2ziuB1 CYS 289 HA 0.01 -0.12 0.37 -0.75 4.58 4.09 2ziuB1 CYS 289 HB2 0.07 0.40 0.07 -0.04 2.97 3.47 2ziuB1 CYS 289 HB3 0.06 -0.12 0.34 -0.04 2.97 3.22 2ziuB1 SER 290 H -0.03 0.09 0.08 -0.55 8.46 8.06 2ziuB1 SER 290 HA -0.04 0.37 1.29 -0.75 4.49 5.35 2ziuB1 SER 290 HB2 -0.05 0.04 -0.05 -0.04 3.95 3.85 2ziuB1 SER 290 HB3 -0.02 0.02 -0.18 -0.04 3.93 3.71 2ziuB1 VAL 291 H -0.17 0.65 0.38 -0.55 8.24 8.54 2ziuB1 VAL 291 HA -0.32 0.36 1.05 -0.75 4.13 4.46 2ziuB1 VAL 291 HB -0.35 -0.04 0.04 -0.04 2.12 1.73 2ziuB1 VAL 291 HG13 -0.16 -0.01 -0.10 -0.04 0.97 0.66 2ziuB1 VAL 291 HG23 -1.01 0.01 -0.15 -0.04 0.95 -0.24 2ziuB1 THR 292 H -0.55 0.37 0.31 -0.55 8.28 7.86 2ziuB1 THR 292 HA -0.31 0.27 0.90 -0.75 4.39 4.50 2ziuB1 THR 292 HB 0.02 0.18 0.29 -0.04 4.32 4.77 2ziuB1 THR 292 HG23 -0.07 -0.02 -0.15 -0.04 1.22 0.93 2ziuB1 TRP 293 H 0.23 0.39 0.28 -0.55 7.97 8.32 2ziuB1 TRP 293 HA -0.08 0.26 0.97 -0.75 4.62 5.02 2ziuB1 TRP 293 HB2 -0.02 0.01 -0.06 -0.04 3.23 3.13 2ziuB1 TRP 293 HB3 -0.06 0.04 0.06 -0.04 3.23 3.23 2ziuB1 TRP 293 HD1 -0.04 -0.00 -0.12 -0.04 7.22 7.02 2ziuB1 TRP 293 HE1 0.00 -0.06 -0.08 -0.04 10.20 10.02 2ziuB1 TRP 293 HE3 0.03 0.17 -0.20 -0.04 7.59 7.55 2ziuB1 TRP 293 HZ2 -0.10 -0.02 -0.17 -0.04 7.44 7.11 2ziuB1 TRP 293 HZ3 -0.02 -0.05 -0.33 -0.04 7.13 6.69 2ziuB1 TRP 293 HH2 -0.59 -0.09 -0.15 -0.04 7.19 6.31 2ziuB1 ARG 294 H 0.03 0.38 0.41 -0.55 8.46 8.72 2ziuB1 ARG 294 HA -0.04 0.17 0.84 -0.75 4.34 4.56 2ziuB1 ARG 294 HB2 -0.49 -0.05 -0.03 -0.04 1.90 1.28 2ziuB1 ARG 294 HB3 -0.29 -0.07 0.00 -0.04 1.80 1.40 2ziuB1 ARG 294 HG2 -0.03 0.02 -0.09 -0.04 1.67 1.52 2ziuB1 ARG 294 HG3 -0.09 -0.06 -0.69 -0.04 1.67 0.79 2ziuB1 ARG 294 HD2 -0.23 -0.02 -0.16 -0.04 3.22 2.76 2ziuB1 ARG 294 HD3 -0.04 -0.01 -0.17 -0.04 3.22 2.96 2ziuB1 ARG 295 H -0.12 0.42 0.28 -0.55 8.46 8.49 2ziuB1 ARG 295 HA -0.36 0.34 0.63 -0.75 4.34 4.20 2ziuB1 ARG 295 HB2 0.03 -0.06 0.19 -0.04 1.90 2.02 2ziuB1 ARG 295 HB3 -0.03 0.14 0.04 -0.04 1.80 1.91 2ziuB1 ARG 295 HG2 -0.01 -0.02 -0.17 -0.04 1.67 1.42 2ziuB1 ARG 295 HG3 0.02 -0.05 0.08 -0.04 1.67 1.68 2ziuB1 ARG 295 HD2 -0.00 -0.02 -0.01 -0.04 3.22 3.14 2ziuB1 ARG 295 HD3 0.01 -0.07 0.05 -0.04 3.22 3.17 2ziuB1 ASP 305 HA 0.01 -0.02 0.13 -0.75 4.63 3.99 2ziuB1 ASP 305 HB2 0.02 -0.00 0.04 -0.04 2.71 2.72 2ziuB1 ASP 305 HB3 -0.05 -0.03 0.07 -0.04 2.70 2.65 2ziuB1 TRP 306 H 0.05 0.16 0.20 -0.55 7.97 7.84 2ziuB1 TRP 306 HA 0.03 -0.04 0.85 -0.75 4.62 4.70 2ziuB1 TRP 306 HB2 0.02 -0.01 0.16 -0.04 3.23 3.35 2ziuB1 TRP 306 HB3 0.03 0.00 -0.06 -0.04 3.23 3.16 2ziuB1 TRP 306 HD1 0.01 -0.04 -0.05 -0.04 7.22 7.11 2ziuB1 TRP 306 HE1 0.02 -0.02 -0.08 -0.04 10.20 10.08 2ziuB1 TRP 306 HE3 0.04 -0.05 0.30 -0.04 7.59 7.83 2ziuB1 TRP 306 HZ2 0.03 -0.01 -0.09 -0.04 7.44 7.33 2ziuB1 TRP 306 HZ3 0.06 0.21 0.02 -0.04 7.13 7.38 2ziuB1 TRP 306 HH2 0.05 0.04 -0.06 -0.04 7.19 7.18 2ziuB1 VAL 307 H 0.32 -0.02 0.34 -0.55 8.24 8.33 2ziuB1 VAL 307 HA 0.12 0.15 0.83 -0.75 4.13 4.48 2ziuB1 VAL 307 HB 0.11 0.08 0.10 -0.04 2.12 2.37 2ziuB1 VAL 307 HG13 0.10 -0.03 0.18 -0.04 0.97 1.18 2ziuB1 VAL 307 HG23 0.05 0.02 -0.10 -0.04 0.95 0.89 2ziuB1 GLU 308 H 0.07 0.14 0.20 -0.55 8.60 8.47 2ziuB1 GLU 308 HA 0.03 0.13 0.86 -0.75 4.29 4.55 2ziuB1 GLU 308 HB2 0.05 -0.06 0.10 -0.04 2.09 2.14 2ziuB1 GLU 308 HB3 0.05 -0.04 0.15 -0.04 1.99 2.10 2ziuB1 GLU 308 HG2 0.05 0.09 -0.14 -0.04 2.34 2.29 2ziuB1 GLU 308 HG3 0.05 0.14 0.19 -0.04 2.34 2.68 2ziuB1 GLU 309 H 0.08 0.51 0.33 -0.55 8.60 8.97 2ziuB1 GLU 309 HA 0.05 0.09 0.59 -0.75 4.29 4.27 2ziuB1 GLU 309 HB2 0.08 -0.05 -0.12 -0.04 2.09 1.96 2ziuB1 GLU 309 HB3 0.21 -0.03 -0.04 -0.04 1.99 2.09 2ziuB1 GLU 309 HG2 -0.02 -0.04 -0.12 -0.04 2.34 2.12 2ziuB1 GLU 309 HG3 0.03 0.01 -0.06 -0.04 2.34 2.28 2ziuB1 PRO 310 HA 0.07 0.02 0.44 -0.51 4.44 4.46 2ziuB1 PRO 310 HB2 0.05 0.39 0.33 -0.04 2.28 3.01 2ziuB1 PRO 310 HB3 0.04 0.01 0.22 -0.04 2.02 2.24 2ziuB1 PRO 310 HG2 0.02 -0.05 0.18 -0.04 2.03 2.14 2ziuB1 PRO 310 HG3 0.01 0.02 0.15 -0.04 2.03 2.16 2ziuB1 PRO 310 HD2 0.02 0.07 0.21 -0.04 3.68 3.94 2ziuB1 PRO 310 HD3 0.03 0.11 0.22 -0.04 3.65 3.97 2ziuB1 THR 311 H 0.08 0.04 0.17 -0.55 8.28 8.02 2ziuB1 THR 311 HA 0.16 0.12 0.27 -0.75 4.39 4.19 2ziuB1 THR 311 HB 0.21 -0.04 -0.17 -0.04 4.32 4.28 2ziuB1 THR 311 HG23 0.31 -0.01 -0.08 -0.04 1.22 1.40 2ziuB1 VAL 312 H 0.22 0.34 -0.13 -0.55 8.24 8.12 2ziuB1 VAL 312 HA 0.21 0.29 0.90 -0.75 4.13 4.77 2ziuB1 VAL 312 HB 0.07 -0.21 -0.09 -0.04 2.12 1.85 2ziuB1 VAL 312 HG13 0.00 -0.02 -0.24 -0.04 0.97 0.68 2ziuB1 VAL 312 HG23 0.08 0.02 -0.31 -0.04 0.95 0.69 2ziuB1 LEU 313 H 0.04 0.60 0.26 -0.55 8.37 8.72 2ziuB1 LEU 313 HA 0.00 0.27 0.91 -0.75 4.35 4.78 2ziuB1 LEU 313 HB2 -0.28 0.02 -0.03 -0.04 1.64 1.31 2ziuB1 LEU 313 HB3 -0.10 -0.00 0.16 -0.04 1.64 1.66 2ziuB1 LEU 313 HG -0.01 -0.05 -0.29 -0.04 1.64 1.25 2ziuB1 LEU 313 HD13 0.06 0.03 -0.20 -0.04 0.93 0.78 2ziuB1 LEU 313 HD23 -0.17 -0.02 -0.12 -0.04 0.89 0.54 2ziuB1 VAL 314 H 0.02 0.66 0.42 -0.55 8.24 8.79 2ziuB1 VAL 314 HA 0.01 0.24 1.08 -0.75 4.13 4.71 2ziuB1 VAL 314 HB 0.01 -0.07 0.09 -0.04 2.12 2.12 2ziuB1 VAL 314 HG13 0.09 0.02 -0.19 -0.04 0.97 0.84 2ziuB1 VAL 314 HG23 -0.03 0.00 -0.19 -0.04 0.95 0.69 2ziuB1 LEU 315 H 0.05 0.77 0.38 -0.55 8.37 9.02 2ziuB1 LEU 315 HA 0.05 0.11 0.82 -0.75 4.35 4.57 2ziuB1 LEU 315 HB2 0.06 0.11 0.15 -0.04 1.64 1.91 2ziuB1 LEU 315 HB3 0.08 -0.08 0.12 -0.04 1.64 1.72 2ziuB1 LEU 315 HG 0.18 -0.06 -0.02 -0.04 1.64 1.70 2ziuB1 LEU 315 HD13 0.09 -0.06 -0.01 -0.04 0.93 0.91 2ziuB1 LEU 315 HD23 0.11 -0.00 -0.06 -0.04 0.89 0.89 2ziuB1 LEU 316 H 0.02 0.62 0.50 -0.55 8.37 8.96 2ziuB1 LEU 316 HA 0.07 0.12 0.79 -0.75 4.35 4.58 2ziuB1 LEU 316 HB2 0.11 0.08 -0.25 -0.04 1.64 1.54 2ziuB1 LEU 316 HB3 -0.03 -0.03 -0.07 -0.04 1.64 1.47 2ziuB1 LEU 316 HG 0.07 -0.09 -0.05 -0.04 1.64 1.53 2ziuB1 LEU 316 HD13 0.07 0.03 -0.07 -0.04 0.93 0.92 2ziuB1 LEU 316 HD23 0.11 -0.01 -0.14 -0.04 0.89 0.81 2ziuB1 ARG 317 H 0.04 0.17 0.16 -0.55 8.46 8.28 2ziuB1 ARG 317 HA -0.03 0.28 1.16 -0.75 4.34 4.99 2ziuB1 ARG 317 HB2 0.04 -0.01 0.10 -0.04 1.90 2.00 2ziuB1 ARG 317 HB3 0.07 0.06 0.02 -0.04 1.80 1.91 2ziuB1 ARG 317 HG2 0.06 0.03 0.04 -0.04 1.67 1.76 2ziuB1 ARG 317 HG3 0.04 -0.18 0.05 -0.04 1.67 1.54 2ziuB1 ARG 317 HD2 0.07 -0.01 0.02 -0.04 3.22 3.26 2ziuB1 ARG 317 HD3 0.12 0.03 -0.01 -0.04 3.22 3.31 2ziuB1 ALA 318 H -0.01 0.54 0.27 -0.55 8.40 8.65 2ziuB1 ALA 318 HA 0.08 0.03 0.30 -0.75 4.34 4.00 2ziuB1 ALA 318 HB3 0.02 0.00 0.11 -0.04 1.41 1.50 2ziuB1 GLU 319 H 0.03 0.09 -0.11 -0.55 8.60 8.06 2ziuB1 GLU 319 HA 0.02 0.09 0.39 -0.75 4.29 4.03 2ziuB1 GLU 319 HB2 0.02 0.02 0.11 -0.04 2.09 2.20 2ziuB1 GLU 319 HB3 0.02 -0.09 0.13 -0.04 1.99 2.01 2ziuB1 GLU 319 HG2 -0.01 0.03 -0.19 -0.04 2.34 2.13 2ziuB1 GLU 319 HG3 -0.00 0.02 -0.02 -0.04 2.34 2.30 2ziuB1 ALA 320 H 0.02 0.07 0.02 -0.55 8.40 7.96 2ziuB1 ALA 320 HA -0.04 0.05 0.33 -0.75 4.34 3.93 2ziuB1 ALA 320 HB3 -0.04 -0.00 0.11 -0.04 1.41 1.44 2ziuB1 PHE 321 H 0.15 0.39 -0.60 -0.55 8.34 7.74 2ziuB1 PHE 321 HA -0.05 0.05 0.47 -0.75 4.62 4.34 2ziuB1 PHE 321 HB2 -0.01 -0.07 -0.12 -0.04 3.15 2.91 2ziuB1 PHE 321 HB3 -0.02 0.20 0.04 -0.04 3.06 3.24 2ziuB1 PHE 321 HD2 0.00 0.01 -0.08 -0.04 7.28 7.17 2ziuB1 PHE 321 HE2 0.02 -0.01 -0.13 -0.04 7.38 7.21 2ziuB1 PHE 321 HZ 0.01 0.02 -0.11 -0.04 7.32 7.20 2ziuB1 VAL 322 H 0.04 0.56 0.17 -0.55 8.24 8.46 2ziuB1 VAL 322 HA -0.31 -0.05 0.29 -0.75 4.13 3.31 2ziuB1 VAL 322 HB -0.03 0.11 0.17 -0.04 2.12 2.32 2ziuB1 VAL 322 HG13 -0.06 -0.02 0.03 -0.04 0.97 0.87 2ziuB1 VAL 322 HG23 0.01 0.06 0.04 -0.04 0.95 1.02 2ziuB1 SER 323 H -0.09 0.16 -1.21 -0.55 8.46 6.78 2ziuB1 SER 323 HA -0.07 -0.00 0.52 -0.75 4.49 4.18 2ziuB1 SER 323 HB2 -0.06 -0.10 0.01 -0.04 3.95 3.75 2ziuB1 SER 323 HB3 -0.10 0.22 0.19 -0.04 3.93 4.20 2ziuB1 MET 324 H -0.11 0.24 0.11 -0.55 8.47 8.16 2ziuB1 MET 324 HA -0.05 0.49 0.33 -0.75 4.52 4.53 2ziuB1 MET 324 HB2 -0.03 -0.01 -0.00 -0.04 2.15 2.07 2ziuB1 MET 324 HB3 -0.04 0.04 0.08 -0.04 2.03 2.06 2ziuB1 MET 324 HG2 -0.02 0.09 -0.45 -0.04 2.63 2.22 2ziuB1 MET 324 HG3 0.03 -0.36 -0.07 -0.04 2.56 2.12 2ziuB1 MET 324 HE3 0.16 0.02 -0.15 -0.04 2.10 2.09 2ziuB1 ILE 325 H -0.23 0.16 -0.75 -0.55 8.25 6.88 2ziuB1 ILE 325 HA -0.12 0.07 0.50 -0.75 4.18 3.88 2ziuB1 ILE 325 HB -0.19 -0.03 -0.09 -0.04 1.89 1.54 2ziuB1 ILE 325 HG12 -0.32 -0.04 -0.08 -0.04 1.49 1.02 2ziuB1 ILE 325 HG13 -0.17 0.04 0.05 -0.04 1.21 1.08 2ziuB1 ILE 325 HG23 -0.60 0.01 -0.16 -0.04 0.93 0.14 2ziuB1 ILE 325 HD13 -0.28 -0.04 -0.08 -0.04 0.88 0.45 2ziuB1 ASP 326 H -0.12 0.38 0.03 -0.55 8.40 8.14 2ziuB1 ASP 326 HA -0.06 -0.02 0.40 -0.75 4.63 4.20 2ziuB1 ASP 326 HB2 -0.06 0.12 0.25 -0.04 2.71 2.98 2ziuB1 ASP 326 HB3 -0.04 -0.11 -0.00 -0.04 2.70 2.51 2ziuB1 ASN 327 H -0.06 0.44 -0.07 -0.55 8.53 8.29 2ziuB1 ASN 327 HA -0.03 -0.19 0.26 -0.75 4.76 4.04 2ziuB1 ASN 327 HB2 -0.04 0.23 -0.10 -0.04 2.88 2.93 2ziuB1 ASN 327 HB3 -0.02 -0.12 -0.27 -0.04 2.79 2.33 2ziuB1 ASN 327 HD21 -0.03 -0.04 -0.05 -0.04 7.03 6.86 2ziuB1 ASN 327 HD22 -0.03 -0.15 -0.10 -0.04 7.74 7.43 2ziuB1 GLY 328 H -0.02 -0.01 -0.01 -0.55 8.43 7.85 2ziuB1 GLY 328 HA2 -0.02 0.24 0.87 -0.51 4.01 4.59 2ziuB1 GLY 328 HA3 -0.02 -0.04 0.39 -0.51 4.01 3.84 2ziuB1 LYS 329 H -0.02 0.18 -0.36 -0.55 8.42 7.66 2ziuB1 LYS 329 HA -0.01 0.24 0.68 -0.75 4.32 4.47 2ziuB1 LYS 329 HB2 -0.01 0.02 0.05 -0.04 1.87 1.89 2ziuB1 LYS 329 HB3 -0.01 0.02 -0.11 -0.04 1.79 1.64 2ziuB1 LYS 329 HG2 -0.02 -0.06 -0.00 -0.04 1.46 1.34 2ziuB1 LYS 329 HG3 -0.01 0.03 0.06 -0.04 1.46 1.51 2ziuB1 LYS 329 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.61 2ziuB1 LYS 329 HD3 -0.01 0.02 0.02 -0.04 1.68 1.66 2ziuB1 LYS 329 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 2ziuB1 LYS 329 HE3 -0.01 0.01 0.02 -0.04 2.99 2.97 2ziuB1 THR 342 HA -0.01 -0.01 0.79 -0.75 4.39 4.41 2ziuB1 THR 342 HB 0.03 -0.17 0.14 -0.04 4.32 4.27 2ziuB1 THR 342 HG23 0.01 0.01 -0.05 -0.04 1.22 1.16 2ziuB1 LEU 343 H 0.04 -0.05 0.15 -0.55 8.37 7.96 2ziuB1 LEU 343 HA 0.01 0.41 0.92 -0.75 4.35 4.94 2ziuB1 LEU 343 HB2 0.02 -0.12 0.14 -0.04 1.64 1.64 2ziuB1 LEU 343 HB3 0.01 -0.18 0.30 -0.04 1.64 1.73 2ziuB1 LEU 343 HG -0.00 -0.10 -0.28 -0.04 1.64 1.22 2ziuB1 LEU 343 HD13 -0.01 -0.00 0.02 -0.04 0.93 0.90 2ziuB1 LEU 343 HD23 -0.02 0.13 0.18 -0.04 0.89 1.14 2ziuB1 GLN 344 H 0.04 0.31 0.17 -0.55 8.47 8.44 2ziuB1 GLN 344 HA 0.14 0.11 0.46 -0.75 4.36 4.31 2ziuB1 GLN 344 HB2 0.07 0.04 0.15 -0.04 2.15 2.36 2ziuB1 GLN 344 HB3 0.06 0.10 0.12 -0.04 2.02 2.25 2ziuB1 GLN 344 HG2 -0.01 -0.00 0.01 -0.04 2.40 2.36 2ziuB1 GLN 344 HG3 0.01 -0.04 -0.33 -0.04 2.39 1.99 2ziuB1 GLN 344 HE21 -0.06 0.09 -0.04 -0.04 6.97 6.91 2ziuB1 GLN 344 HE22 -0.02 -0.07 -0.08 -0.04 7.69 7.48 2ziuB1 GLY 345 H 0.07 0.04 -0.69 -0.55 8.43 7.30 2ziuB1 GLY 345 HA2 0.03 0.13 0.53 -0.51 4.01 4.20 2ziuB1 GLY 345 HA3 0.05 0.09 0.27 -0.51 4.01 3.90 2ziuB1 PHE 346 H 0.22 0.55 -0.17 -0.55 8.34 8.39 2ziuB1 PHE 346 HA 0.02 0.03 0.34 -0.75 4.62 4.25 2ziuB1 PHE 346 HB2 0.03 0.04 0.14 -0.04 3.15 3.32 2ziuB1 PHE 346 HB3 0.04 0.08 0.13 -0.04 3.06 3.26 2ziuB1 PHE 346 HD2 0.05 -0.02 -0.03 -0.04 7.28 7.25 2ziuB1 PHE 346 HE2 0.04 -0.00 -0.06 -0.04 7.38 7.32 2ziuB1 PHE 346 HZ 0.03 0.07 -0.07 -0.04 7.32 7.31 2ziuB1 VAL 347 H 0.04 0.29 -0.55 -0.55 8.24 7.46 2ziuB1 VAL 347 HA -0.34 0.09 0.46 -0.75 4.13 3.59 2ziuB1 VAL 347 HB 0.00 0.21 0.08 -0.04 2.12 2.37 2ziuB1 VAL 347 HG13 -0.03 -0.01 -0.07 -0.04 0.97 0.82 2ziuB1 VAL 347 HG23 0.01 -0.01 -0.03 -0.04 0.95 0.89 2ziuB1 THR 348 H -0.01 0.31 -0.28 -0.55 8.28 7.75 2ziuB1 THR 348 HA -0.02 0.07 0.47 -0.75 4.39 4.16 2ziuB1 THR 348 HB 0.01 0.05 0.27 -0.04 4.32 4.61 2ziuB1 THR 348 HG23 0.00 0.00 -0.10 -0.04 1.22 1.09 2ziuB1 ASP 349 H 0.00 0.42 0.08 -0.55 8.40 8.35 2ziuB1 ASP 349 HA 0.00 0.05 0.34 -0.75 4.63 4.28 2ziuB1 ASP 349 HB2 0.02 0.04 0.02 -0.04 2.71 2.75 2ziuB1 ASP 349 HB3 0.03 -0.00 0.09 -0.04 2.70 2.77 2ziuB1 ILE 350 H -0.10 0.23 -0.72 -0.55 8.25 7.11 2ziuB1 ILE 350 HA -0.08 0.05 0.31 -0.75 4.18 3.71 2ziuB1 ILE 350 HB -0.21 0.18 0.08 -0.04 1.89 1.91 2ziuB1 ILE 350 HG12 -0.24 -0.06 0.01 -0.04 1.49 1.15 2ziuB1 ILE 350 HG13 -0.47 0.28 0.14 -0.04 1.21 1.12 2ziuB1 ILE 350 HG23 -0.11 -0.03 -0.15 -0.04 0.93 0.59 2ziuB1 ILE 350 HD13 -0.85 -0.06 -0.07 -0.04 0.88 -0.14 2ziuB1 THR 351 H -0.06 0.56 0.04 -0.55 8.28 8.27 2ziuB1 THR 351 HA -0.02 -0.09 0.48 -0.75 4.39 4.00 2ziuB1 THR 351 HB -0.01 0.07 0.07 -0.04 4.32 4.41 2ziuB1 THR 351 HG23 0.00 -0.05 0.13 -0.04 1.22 1.26 2ziuB1 ALA 352 H -0.02 0.53 -0.38 -0.55 8.40 7.99 2ziuB1 ALA 352 HA 0.00 0.01 0.49 -0.75 4.34 4.09 2ziuB1 ALA 352 HB3 0.00 -0.02 0.04 -0.04 1.41 1.39 2ziuB1 LYS 353 H -0.01 0.50 -0.18 -0.55 8.42 8.17 2ziuB1 LYS 353 HA 0.00 0.07 0.68 -0.75 4.32 4.32 2ziuB1 LYS 353 HB2 -0.01 0.07 0.07 -0.04 1.87 1.96 2ziuB1 LYS 353 HB3 0.00 -0.12 0.03 -0.04 1.79 1.66 2ziuB1 LYS 353 HG2 0.01 -0.06 -0.04 -0.04 1.46 1.33 2ziuB1 LYS 353 HG3 0.00 0.18 -0.02 -0.04 1.46 1.58 2ziuB1 LYS 353 HD2 0.01 -0.05 -0.17 -0.04 1.69 1.44 2ziuB1 LYS 353 HD3 0.01 0.11 -0.04 -0.04 1.68 1.72 2ziuB1 LYS 353 HE2 0.02 -0.03 -0.03 -0.04 2.99 2.91 2ziuB1 LYS 353 HE3 0.02 -0.09 -0.08 -0.04 2.99 2.80 2ziuB1 THR 354 H -0.01 0.18 -0.09 -0.55 8.28 7.81 2ziuB1 THR 354 HA 0.01 0.09 0.46 -0.75 4.39 4.19 2ziuB1 THR 354 HB -0.00 -0.13 0.27 -0.04 4.32 4.42 2ziuB1 THR 354 HG23 0.02 0.02 -0.21 -0.04 1.22 1.01 2ziuB1 ALA 355 H 0.01 0.51 0.04 -0.55 8.40 8.41 2ziuB1 ALA 355 HA 0.01 0.02 0.27 -0.75 4.34 3.88 2ziuB1 ALA 355 HB3 0.02 0.10 0.09 -0.04 1.41 1.57 2ziuB1 GLY 356 H 0.01 0.02 0.06 -0.55 8.43 7.98 2ziuB1 GLY 356 HA2 0.02 -0.09 0.32 -0.51 4.01 3.75 2ziuB1 GLY 356 HA3 0.02 0.11 0.40 -0.51 4.01 4.03 2ziuB1 LYS 357 H 0.03 -0.08 -0.10 -0.55 8.42 7.71 2ziuB1 LYS 357 HA 0.05 0.25 0.67 -0.75 4.32 4.53 2ziuB1 LYS 357 HB2 0.05 -0.21 -0.21 -0.04 1.87 1.47 2ziuB1 LYS 357 HB3 0.09 0.29 -0.69 -0.04 1.79 1.44 2ziuB1 LYS 357 HG2 0.05 0.02 -0.07 -0.04 1.46 1.42 2ziuB1 LYS 357 HG3 0.04 0.10 -0.28 -0.04 1.46 1.27 2ziuB1 LYS 357 HD2 0.04 -0.22 -0.07 -0.04 1.69 1.41 2ziuB1 LYS 357 HD3 0.08 0.45 0.07 -0.04 1.68 2.25 2ziuB1 LYS 357 HE2 0.04 0.01 0.01 -0.04 2.99 3.01 2ziuB1 LYS 357 HE3 0.03 0.13 0.04 -0.04 2.99 3.15 2ziuB1 ALA 358 H 0.04 -0.15 -0.03 -0.55 8.40 7.72 2ziuB1 ALA 358 HA 0.04 0.02 0.34 -0.75 4.34 3.99 2ziuB1 ALA 358 HB3 0.05 0.07 0.28 -0.04 1.41 1.77 2ziuB1 LEU 359 H 0.04 -0.06 0.13 -0.55 8.37 7.94 2ziuB1 LEU 359 HA 0.07 0.24 0.42 -0.75 4.35 4.32 2ziuB1 LEU 359 HB2 0.00 -0.06 0.11 -0.04 1.64 1.65 2ziuB1 LEU 359 HB3 0.02 -0.06 0.05 -0.04 1.64 1.61 2ziuB1 LEU 359 HG 0.01 0.01 -0.11 -0.04 1.64 1.51 2ziuB1 LEU 359 HD13 -0.01 0.09 0.02 -0.04 0.93 0.98 2ziuB1 LEU 359 HD23 -0.09 -0.01 -0.04 -0.04 0.89 0.71 2ziuB1 SER 360 H 0.06 0.35 0.29 -0.55 8.46 8.62 2ziuB1 SER 360 HA 0.11 0.01 0.62 -0.75 4.49 4.48 2ziuB1 SER 360 HB2 0.27 0.18 -0.09 -0.04 3.95 4.27 2ziuB1 SER 360 HB3 0.17 -0.03 0.01 -0.04 3.93 4.04 2ziuB1 LEU 361 H 0.05 0.68 0.22 -0.55 8.37 8.77 2ziuB1 LEU 361 HA 0.03 0.30 1.14 -0.75 4.35 5.07 2ziuB1 LEU 361 HB2 0.00 0.05 0.19 -0.04 1.64 1.85 2ziuB1 LEU 361 HB3 -0.02 -0.07 -0.04 -0.04 1.64 1.47 2ziuB1 LEU 361 HG 0.06 0.06 -0.05 -0.04 1.64 1.67 2ziuB1 LEU 361 HD13 -0.00 -0.00 -0.23 -0.04 0.93 0.66 2ziuB1 LEU 361 HD23 0.11 -0.02 -0.11 -0.04 0.89 0.84 2ziuB1 VAL 362 H -0.00 0.52 0.30 -0.55 8.24 8.51 2ziuB1 VAL 362 HA -0.13 0.16 0.75 -0.75 4.13 4.15 2ziuB1 VAL 362 HB 0.03 0.00 0.02 -0.04 2.12 2.13 2ziuB1 VAL 362 HG13 -0.10 -0.04 -0.21 -0.04 0.97 0.57 2ziuB1 VAL 362 HG23 0.09 0.02 -0.38 -0.04 0.95 0.64 2ziuB1 ILE 363 H -0.18 0.40 0.27 -0.55 8.25 8.19 2ziuB1 ILE 363 HA -0.12 0.43 0.96 -0.75 4.18 4.69 2ziuB1 ILE 363 HB -0.28 -0.06 0.13 -0.04 1.89 1.64 2ziuB1 ILE 363 HG12 -0.35 0.00 -0.23 -0.04 1.49 0.87 2ziuB1 ILE 363 HG13 -0.27 -0.03 -0.26 -0.04 1.21 0.61 2ziuB1 ILE 363 HG23 -0.20 -0.02 -0.35 -0.04 0.93 0.32 2ziuB1 ILE 363 HD13 -1.07 0.00 -0.14 -0.04 0.88 -0.37 2ziuB1 VAL 364 H -0.15 0.52 0.37 -0.55 8.24 8.43 2ziuB1 VAL 364 HA -0.29 0.31 0.77 -0.75 4.13 4.16 2ziuB1 VAL 364 HB -0.51 -0.02 0.06 -0.04 2.12 1.61 2ziuB1 VAL 364 HG13 -1.09 -0.01 -0.27 -0.04 0.97 -0.44 2ziuB1 VAL 364 HG23 -0.31 0.04 -0.05 -0.04 0.95 0.58 2ziuB1 ASP 365 H -0.21 0.21 0.28 -0.55 8.40 8.13 2ziuB1 ASP 365 HA -0.09 0.18 1.29 -0.75 4.63 5.25 2ziuB1 ASP 365 HB2 -0.04 0.05 -0.07 -0.04 2.71 2.61 2ziuB1 ASP 365 HB3 -0.08 0.08 -0.23 -0.04 2.70 2.43 2ziuB1 GLN 366 H -0.08 0.01 0.19 -0.55 8.47 8.04 2ziuB1 GLN 366 HA -0.05 -0.01 0.38 -0.75 4.36 3.93 2ziuB1 GLN 366 HB2 -0.03 0.14 0.61 -0.04 2.15 2.83 2ziuB1 GLN 366 HB3 -0.02 -0.03 0.23 -0.04 2.02 2.16 2ziuB1 GLN 366 HG2 -0.13 -0.12 -0.86 -0.04 2.40 1.26 2ziuB1 GLN 366 HG3 -0.04 -0.03 0.05 -0.04 2.39 2.33 2ziuB1 GLN 366 HE21 -0.05 -0.13 0.08 -0.04 6.97 6.84 2ziuB1 GLN 366 HE22 -0.03 -0.05 0.06 -0.04 7.69 7.63 2ziuB1 GLU 367 H -0.03 -0.01 0.06 -0.55 8.60 8.07 2ziuB1 GLU 367 HA -0.01 0.18 0.35 -0.75 4.29 4.06 2ziuB1 GLU 367 HB2 -0.01 0.19 -0.58 -0.04 2.09 1.65 2ziuB1 GLU 367 HB3 -0.00 -0.06 -0.14 -0.04 1.99 1.75 2ziuB1 GLU 367 HG2 0.01 -0.01 0.01 -0.04 2.34 2.31 2ziuB1 GLU 367 HG3 0.00 0.05 0.05 -0.04 2.34 2.40 2ziuB1 SER 404 HA 0.00 0.08 0.47 -0.75 4.49 4.28 2ziuB1 SER 404 HB2 0.00 -0.09 0.16 -0.04 3.95 3.98 2ziuB1 SER 404 HB3 -0.00 0.11 0.09 -0.04 3.93 4.09 2ziuB1 ARG 405 H 0.01 0.19 0.16 -0.55 8.46 8.26 2ziuB1 ARG 405 HA 0.03 0.10 0.48 -0.75 4.34 4.18 2ziuB1 ARG 405 HB2 0.01 0.03 0.10 -0.04 1.90 1.99 2ziuB1 ARG 405 HB3 0.01 0.02 0.12 -0.04 1.80 1.91 2ziuB1 ARG 405 HG2 0.01 0.02 0.08 -0.04 1.67 1.73 2ziuB1 ARG 405 HG3 0.00 -0.00 0.11 -0.04 1.67 1.74 2ziuB1 ARG 405 HD2 -0.00 0.01 0.03 -0.04 3.22 3.22 2ziuB1 ARG 405 HD3 -0.00 0.00 0.03 -0.04 3.22 3.21 2ziuB1 VAL 406 H 0.01 0.11 -0.40 -0.55 8.24 7.41 2ziuB1 VAL 406 HA 0.01 0.09 0.47 -0.75 4.13 3.95 2ziuB1 VAL 406 HB 0.00 0.06 -0.03 -0.04 2.12 2.11 2ziuB1 VAL 406 HG13 0.00 0.00 0.01 -0.04 0.97 0.94 2ziuB1 VAL 406 HG23 0.00 0.01 -0.00 -0.04 0.95 0.92 2ziuB1 ASP 407 H 0.00 0.29 -0.11 -0.55 8.40 8.03 2ziuB1 ASP 407 HA -0.00 0.06 0.35 -0.75 4.63 4.28 2ziuB1 ASP 407 HB2 -0.01 0.18 0.10 -0.04 2.71 2.94 2ziuB1 ASP 407 HB3 -0.04 0.01 -0.02 -0.04 2.70 2.61 2ziuB1 ALA 408 H 0.03 0.22 -0.48 -0.55 8.40 7.61 2ziuB1 ALA 408 HA 0.12 0.04 0.31 -0.75 4.34 4.05 2ziuB1 ALA 408 HB3 0.09 0.07 0.06 -0.04 1.41 1.59 2ziuB1 GLU 409 H 0.04 0.71 0.08 -0.55 8.60 8.88 2ziuB1 GLU 409 HA 0.04 -0.00 0.41 -0.75 4.29 3.98 2ziuB1 GLU 409 HB2 0.02 0.03 0.18 -0.04 2.09 2.28 2ziuB1 GLU 409 HB3 0.02 -0.02 0.07 -0.04 1.99 2.01 2ziuB1 GLU 409 HG2 0.02 -0.07 0.07 -0.04 2.34 2.32 2ziuB1 GLU 409 HG3 0.02 0.35 0.13 -0.04 2.34 2.80 2ziuB1 GLU 410 H 0.03 0.77 -0.23 -0.55 8.60 8.61 2ziuB1 GLU 410 HA 0.02 0.00 0.40 -0.75 4.29 3.96 2ziuB1 GLU 410 HB2 0.01 0.11 0.13 -0.04 2.09 2.30 2ziuB1 GLU 410 HB3 0.02 -0.02 -0.02 -0.04 1.99 1.93 2ziuB1 GLU 410 HG2 0.01 -0.06 -0.01 -0.04 2.34 2.25 2ziuB1 GLU 410 HG3 0.01 0.15 -0.00 -0.04 2.34 2.46 2ziuB1 ALA 411 H 0.04 0.65 -0.05 -0.55 8.40 8.49 2ziuB1 ALA 411 HA 0.05 0.04 0.44 -0.75 4.34 4.12 2ziuB1 ALA 411 HB3 0.03 0.01 0.07 -0.04 1.41 1.48 2ziuB1 LEU 412 H 0.10 0.67 -0.13 -0.55 8.37 8.46 2ziuB1 LEU 412 HA 0.11 0.00 0.41 -0.75 4.35 4.12 2ziuB1 LEU 412 HB2 0.06 0.09 0.15 -0.04 1.64 1.90 2ziuB1 LEU 412 HB3 0.04 -0.04 -0.00 -0.04 1.64 1.60 2ziuB1 LEU 412 HG 0.17 0.34 0.03 -0.04 1.64 2.14 2ziuB1 LEU 412 HD13 0.02 -0.04 -0.16 -0.04 0.93 0.72 2ziuB1 LEU 412 HD23 0.08 -0.03 -0.11 -0.04 0.89 0.79 2ziuB1 VAL 413 H 0.04 0.86 0.01 -0.55 8.24 8.61 2ziuB1 VAL 413 HA 0.02 0.00 0.39 -0.75 4.13 3.78 2ziuB1 VAL 413 HB 0.02 0.08 0.17 -0.04 2.12 2.34 2ziuB1 VAL 413 HG13 -0.00 -0.02 -0.10 -0.04 0.97 0.80 2ziuB1 VAL 413 HG23 0.01 0.05 0.05 -0.04 0.95 1.02 2ziuB1 ASP 414 H 0.05 0.58 -0.27 -0.55 8.40 8.22 2ziuB1 ASP 414 HA 0.02 0.02 0.48 -0.75 4.63 4.41 2ziuB1 ASP 414 HB2 0.08 0.00 0.11 -0.04 2.71 2.86 2ziuB1 ASP 414 HB3 0.09 0.09 0.14 -0.04 2.70 2.99 2ziuB1 LEU 415 H 0.09 0.52 -0.18 -0.55 8.37 8.25 2ziuB1 LEU 415 HA 0.12 -0.04 0.52 -0.75 4.35 4.20 2ziuB1 LEU 415 HB2 0.12 0.14 0.15 -0.04 1.64 2.00 2ziuB1 LEU 415 HB3 0.09 0.09 0.16 -0.04 1.64 1.94 2ziuB1 LEU 415 HG 0.10 -0.08 0.05 -0.04 1.64 1.67 2ziuB1 LEU 415 HD13 0.15 -0.03 -0.08 -0.04 0.93 0.93 2ziuB1 LEU 415 HD23 0.06 -0.01 -0.16 -0.04 0.89 0.74 2ziuB1 GLN 416 H 0.04 0.72 -0.04 -0.55 8.47 8.64 2ziuB1 GLN 416 HA 0.03 0.10 0.43 -0.75 4.36 4.16 2ziuB1 GLN 416 HB2 0.02 -0.05 0.10 -0.04 2.15 2.18 2ziuB1 GLN 416 HB3 0.01 0.07 0.20 -0.04 2.02 2.26 2ziuB1 GLN 416 HG2 -0.01 0.03 -0.24 -0.04 2.40 2.15 2ziuB1 GLN 416 HG3 0.01 -0.01 0.02 -0.04 2.39 2.37 2ziuB1 GLN 416 HE21 -0.00 -0.06 -0.02 -0.04 6.97 6.85 2ziuB1 GLN 416 HE22 -0.00 0.02 -0.04 -0.04 7.69 7.63 2ziuB1 LEU 417 H -0.04 0.54 -0.09 -0.55 8.37 8.24 2ziuB1 LEU 417 HA -0.08 0.04 0.47 -0.75 4.35 4.03 2ziuB1 LEU 417 HB2 -0.23 0.02 0.14 -0.04 1.64 1.53 2ziuB1 LEU 417 HB3 -0.26 -0.08 0.08 -0.04 1.64 1.34 2ziuB1 LEU 417 HG -0.05 0.12 0.10 -0.04 1.64 1.78 2ziuB1 LEU 417 HD13 -0.06 -0.04 -0.05 -0.04 0.93 0.73 2ziuB1 LEU 417 HD23 -0.06 -0.02 0.01 -0.04 0.89 0.79 2ziuB1 HIS 418 H 0.03 0.26 -0.45 -0.55 8.41 7.70 2ziuB1 HIS 418 HA 0.01 0.15 0.99 -0.75 4.63 5.03 2ziuB1 HIS 418 HB2 0.02 0.13 0.16 -0.04 3.26 3.54 2ziuB1 HIS 418 HB3 0.02 -0.13 0.03 -0.04 3.20 3.08 2ziuB1 HIS 418 HD2 0.01 -0.00 0.03 -0.04 6.97 6.97 2ziuB1 HIS 418 HE1 0.01 -0.06 -0.01 -0.04 7.75 7.65 2ziuB1 THR 419 H 0.08 0.72 0.17 -0.55 8.28 8.70 2ziuB1 THR 419 HA 0.05 0.16 0.96 -0.75 4.39 4.81 2ziuB1 THR 419 HB 0.03 -0.10 0.09 -0.04 4.32 4.30 2ziuB1 THR 419 HG23 0.07 0.02 -0.04 -0.04 1.22 1.24 2ziuB1 GLU 420 H 0.03 0.09 0.06 -0.55 8.60 8.24 2ziuB1 GLU 420 HA 0.02 0.27 0.72 -0.75 4.29 4.55 2ziuB1 GLU 420 HB2 0.02 -0.07 0.14 -0.04 2.09 2.14 2ziuB1 GLU 420 HB3 0.02 0.03 0.17 -0.04 1.99 2.16 2ziuB1 GLU 420 HG2 0.02 0.12 -0.17 -0.04 2.34 2.27 2ziuB1 GLU 420 HG3 0.02 -0.04 -0.03 -0.04 2.34 2.25 2ziuB1 ALA 421 H 0.03 0.22 -0.61 -0.55 8.40 7.50 2ziuB1 ALA 421 HA 0.04 0.23 0.79 -0.75 4.34 4.64 2ziuB1 ALA 421 HB3 0.02 -0.02 -0.09 -0.04 1.41 1.28 2ziuB1 GLN 422 H 0.06 0.41 0.07 -0.55 8.47 8.47 2ziuB1 GLN 422 HA 0.04 0.10 0.53 -0.75 4.36 4.29 2ziuB1 GLN 422 HB2 0.12 0.06 0.28 -0.04 2.15 2.57 2ziuB1 GLN 422 HB3 0.10 -0.01 0.02 -0.04 2.02 2.09 2ziuB1 GLN 422 HG2 0.06 0.02 -0.03 -0.04 2.40 2.41 2ziuB1 GLN 422 HG3 0.09 0.07 0.05 -0.04 2.39 2.56 2ziuB1 GLN 422 HE21 0.03 -0.03 -0.00 -0.04 6.97 6.92 2ziuB1 GLN 422 HE22 0.03 0.04 -0.01 -0.04 7.69 7.71 2ziuB1 ALA 423 H 0.02 0.27 0.23 -0.55 8.40 8.38 2ziuB1 ALA 423 HA -0.01 0.10 0.86 -0.75 4.34 4.54 2ziuB1 ALA 423 HB3 -0.01 0.01 -0.07 -0.04 1.41 1.30 2ziuB1 GLN 424 H -0.12 0.28 0.12 -0.55 8.47 8.20 2ziuB1 GLN 424 HA -0.11 0.08 0.54 -0.75 4.36 4.12 2ziuB1 GLN 424 HB2 -0.15 0.10 0.07 -0.04 2.15 2.14 2ziuB1 GLN 424 HB3 -0.18 0.13 -0.23 -0.04 2.02 1.70 2ziuB1 GLN 424 HG2 -0.36 -0.11 -0.35 -0.04 2.40 1.55 2ziuB1 GLN 424 HG3 -0.24 -0.14 -0.04 -0.04 2.39 1.93 2ziuB1 GLN 424 HE21 -0.31 0.01 -0.06 -0.04 6.97 6.57 2ziuB1 GLN 424 HE22 -0.24 0.03 -0.06 -0.04 7.69 7.38 2ziuB1 ILE 425 H -0.15 0.25 0.16 -0.55 8.25 7.96 2ziuB1 ILE 425 HA -0.19 0.15 1.09 -0.75 4.18 4.49 2ziuB1 ILE 425 HB -0.11 -0.02 0.07 -0.04 1.89 1.79 2ziuB1 ILE 425 HG12 -0.24 0.06 -0.05 -0.04 1.49 1.22 2ziuB1 ILE 425 HG13 -0.18 -0.06 -0.49 -0.04 1.21 0.44 2ziuB1 ILE 425 HG23 -0.11 0.00 -0.20 -0.04 0.93 0.58 2ziuB1 ILE 425 HD13 -0.09 -0.01 -0.10 -0.04 0.88 0.63 2ziuB1 VAL 426 H -0.18 0.70 0.34 -0.55 8.24 8.55 2ziuB1 VAL 426 HA -0.13 0.18 0.90 -0.75 4.13 4.32 2ziuB1 VAL 426 HB -0.13 -0.14 0.08 -0.04 2.12 1.90 2ziuB1 VAL 426 HG13 -0.19 0.03 -0.21 -0.04 0.97 0.56 2ziuB1 VAL 426 HG23 -0.19 -0.00 -0.15 -0.04 0.95 0.56 2ziuB1 GLN 427 H -0.12 0.16 0.22 -0.55 8.47 8.18 2ziuB1 GLN 427 HA -0.17 -0.01 1.08 -0.75 4.36 4.50 2ziuB1 GLN 427 HB2 -0.08 0.07 0.07 -0.04 2.15 2.17 2ziuB1 GLN 427 HB3 -0.09 -0.06 0.18 -0.04 2.02 2.01 2ziuB1 GLN 427 HG2 -0.06 0.03 0.03 -0.04 2.40 2.37 2ziuB1 GLN 427 HG3 -0.09 0.01 -0.16 -0.04 2.39 2.11 2ziuB1 GLN 427 HE21 -0.07 0.13 0.09 -0.04 6.97 7.07 2ziuB1 GLN 427 HE22 -0.09 0.01 -0.19 -0.04 7.69 7.38 2ziuB1 SER 428 H -0.15 0.07 0.14 -0.55 8.46 7.98 2ziuB1 SER 428 HA -0.29 0.34 0.97 -0.75 4.49 4.76 2ziuB1 SER 428 HB2 -0.01 0.04 0.14 -0.04 3.95 4.09 2ziuB1 SER 428 HB3 -0.05 0.12 -0.06 -0.04 3.93 3.89 2ziuB1 TRP 429 H -0.05 0.27 0.14 -0.55 7.97 7.79 2ziuB1 TRP 429 HA 0.02 0.11 0.40 -0.75 4.62 4.39 2ziuB1 TRP 429 HB2 0.01 0.04 0.06 -0.04 3.23 3.31 2ziuB1 TRP 429 HB3 0.01 0.06 0.05 -0.04 3.23 3.31 2ziuB1 TRP 429 HD1 0.01 0.04 0.02 -0.04 7.22 7.25 2ziuB1 TRP 429 HE1 0.00 0.08 -0.03 -0.04 10.20 10.21 2ziuB1 TRP 429 HE3 0.01 0.03 -0.04 -0.04 7.59 7.55 2ziuB1 TRP 429 HZ2 0.00 0.06 -0.01 -0.04 7.44 7.45 2ziuB1 TRP 429 HZ3 0.01 0.11 -0.08 -0.04 7.13 7.13 2ziuB1 TRP 429 HH2 0.00 0.08 -0.03 -0.04 7.19 7.20 2ziuB1 LYS 430 H 0.14 0.06 -0.16 -0.55 8.42 7.91 2ziuB1 LYS 430 HA 0.12 0.15 0.36 -0.75 4.32 4.20 2ziuB1 LYS 430 HB2 0.09 0.03 0.08 -0.04 1.87 2.03 2ziuB1 LYS 430 HB3 0.06 -0.06 0.03 -0.04 1.79 1.77 2ziuB1 LYS 430 HG2 0.05 0.04 -0.03 -0.04 1.46 1.48 2ziuB1 LYS 430 HG3 0.06 0.02 -0.13 -0.04 1.46 1.36 2ziuB1 LYS 430 HD2 0.06 -0.01 0.01 -0.04 1.69 1.72 2ziuB1 LYS 430 HD3 0.05 0.07 0.00 -0.04 1.68 1.76 2ziuB1 LYS 430 HE2 0.07 0.02 0.06 -0.04 2.99 3.09 2ziuB1 LYS 430 HE3 0.09 -0.08 0.13 -0.04 2.99 3.09 2ziuB1 GLU 431 H 0.03 0.00 -0.34 -0.55 8.60 7.74 2ziuB1 GLU 431 HA 0.06 0.13 0.40 -0.75 4.29 4.12 2ziuB1 GLU 431 HB2 -0.04 0.02 0.18 -0.04 2.09 2.20 2ziuB1 GLU 431 HB3 -0.00 0.09 0.03 -0.04 1.99 2.07 2ziuB1 GLU 431 HG2 0.00 0.12 0.03 -0.04 2.34 2.45 2ziuB1 GLU 431 HG3 -0.01 -0.10 0.07 -0.04 2.34 2.26 2ziuB1 LEU 432 H 0.02 0.39 -0.04 -0.55 8.37 8.19 2ziuB1 LEU 432 HA 0.15 0.02 0.24 -0.75 4.35 4.00 2ziuB1 LEU 432 HB2 -0.01 -0.03 0.05 -0.04 1.64 1.61 2ziuB1 LEU 432 HB3 0.24 0.09 0.02 -0.04 1.64 1.96 2ziuB1 LEU 432 HG 0.05 -0.02 -0.09 -0.04 1.64 1.53 2ziuB1 LEU 432 HD13 0.39 -0.00 -0.11 -0.04 0.93 1.17 2ziuB1 LEU 432 HD23 0.19 0.02 -0.13 -0.04 0.89 0.93 2ziuB1 ALA 433 H 0.17 0.53 -0.43 -0.55 8.40 8.11 2ziuB1 ALA 433 HA 0.13 0.03 0.36 -0.75 4.34 4.11 2ziuB1 ALA 433 HB3 0.11 0.03 0.02 -0.04 1.41 1.54 2ziuB1 ASP 434 H 0.11 0.47 -0.00 -0.55 8.40 8.43 2ziuB1 ASP 434 HA 0.08 0.03 0.42 -0.75 4.63 4.40 2ziuB1 ASP 434 HB2 0.10 0.02 0.18 -0.04 2.71 2.97 2ziuB1 ASP 434 HB3 0.08 -0.03 0.05 -0.04 2.70 2.76 2ziuB1 PHE 435 H 0.25 0.72 -0.13 -0.55 8.34 8.62 2ziuB1 PHE 435 HA 0.08 0.04 0.41 -0.75 4.62 4.40 2ziuB1 PHE 435 HB2 0.05 -0.07 -0.03 -0.04 3.15 3.05 2ziuB1 PHE 435 HB3 0.06 0.07 0.01 -0.04 3.06 3.15 2ziuB1 PHE 435 HD2 0.07 -0.01 -0.11 -0.04 7.28 7.19 2ziuB1 PHE 435 HE2 0.08 0.03 -0.15 -0.04 7.38 7.30 2ziuB1 PHE 435 HZ 0.33 0.06 -0.14 -0.04 7.32 7.53 2ziuB1 THR 436 H 0.16 0.60 -0.17 -0.55 8.28 8.32 2ziuB1 THR 436 HA -0.15 0.04 0.34 -0.75 4.39 3.87 2ziuB1 THR 436 HB 0.10 0.11 0.07 -0.04 4.32 4.55 2ziuB1 THR 436 HG23 0.08 -0.01 -0.07 -0.04 1.22 1.18 2ziuB1 CYS 437 H 0.07 0.32 -0.38 -0.55 8.50 7.95 2ziuB1 CYS 437 HA 0.09 0.11 0.56 -0.75 4.58 4.58 2ziuB1 CYS 437 HB2 0.06 0.04 0.17 -0.04 2.97 3.20 2ziuB1 CYS 437 HB3 0.05 -0.04 -0.02 -0.04 2.97 2.92 2ziuB1 ALA 438 H 0.03 0.64 0.03 -0.55 8.40 8.56 2ziuB1 ALA 438 HA 0.01 0.01 0.42 -0.75 4.34 4.02 2ziuB1 ALA 438 HB3 0.02 0.02 0.12 -0.04 1.41 1.53 2ziuB1 PHE 439 H -0.07 0.56 -0.31 -0.55 8.34 7.96 2ziuB1 PHE 439 HA -0.29 0.03 0.36 -0.75 4.62 3.96 2ziuB1 PHE 439 HB2 -0.89 0.13 0.05 -0.04 3.15 2.40 2ziuB1 PHE 439 HB3 -0.24 0.07 -0.02 -0.04 3.06 2.82 2ziuB1 PHE 439 HD2 -0.68 -0.01 -0.23 -0.04 7.28 6.33 2ziuB1 PHE 439 HE2 -0.26 0.00 -0.12 -0.04 7.38 6.96 2ziuB1 PHE 439 HZ -0.00 0.06 -0.12 -0.04 7.32 7.21 2ziuB1 THR 440 H 0.07 0.24 -0.67 -0.55 8.28 7.37 2ziuB1 THR 440 HA -0.24 0.07 0.41 -0.75 4.39 3.88 2ziuB1 THR 440 HB 0.11 0.11 0.16 -0.04 4.32 4.66 2ziuB1 THR 440 HG23 0.24 -0.02 -0.13 -0.04 1.22 1.26 2ziuB1 LYS 441 H -0.03 0.47 -0.03 -0.55 8.42 8.28 2ziuB1 LYS 441 HA -0.05 0.00 0.39 -0.75 4.32 3.92 2ziuB1 LYS 441 HB2 -0.03 0.09 0.05 -0.04 1.87 1.94 2ziuB1 LYS 441 HB3 -0.02 -0.04 0.03 -0.04 1.79 1.72 2ziuB1 LYS 441 HG2 0.01 -0.06 0.02 -0.04 1.46 1.39 2ziuB1 LYS 441 HG3 0.01 0.17 0.04 -0.04 1.46 1.64 2ziuB1 LYS 441 HD2 0.03 0.01 -0.00 -0.04 1.69 1.69 2ziuB1 LYS 441 HD3 0.02 -0.03 0.00 -0.04 1.68 1.63 2ziuB1 LYS 441 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.94 2ziuB1 LYS 441 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.93 2ziuB1 ALA 442 H -0.16 0.38 -0.41 -0.55 8.40 7.67 2ziuB1 ALA 442 HA -0.15 0.01 0.33 -0.75 4.34 3.77 2ziuB1 ALA 442 HB3 -0.35 0.04 0.05 -0.04 1.41 1.12 2ziuB1 VAL 443 H -0.42 0.40 -0.24 -0.55 8.24 7.43 2ziuB1 VAL 443 HA -0.34 0.01 0.24 -0.75 4.13 3.29 2ziuB1 VAL 443 HB -0.75 0.10 0.03 -0.04 2.12 1.47 2ziuB1 VAL 443 HG13 -0.43 -0.02 -0.18 -0.04 0.97 0.29 2ziuB1 VAL 443 HG23 -1.13 0.11 -0.01 -0.04 0.95 -0.12 2ziuB1 ALA 444 H -0.19 0.31 -0.54 -0.55 8.40 7.43 2ziuB1 ALA 444 HA -0.07 -0.02 0.24 -0.75 4.34 3.73 2ziuB1 ALA 444 HB3 -0.05 0.03 -0.01 -0.04 1.41 1.34 2ziuB1 GLU 445 H -0.10 0.37 -0.28 -0.55 8.60 8.04 2ziuB1 GLU 445 HA -0.06 0.09 0.94 -0.75 4.29 4.51 2ziuB1 GLU 445 HB2 -0.07 0.10 -0.05 -0.04 2.09 2.03 2ziuB1 GLU 445 HB3 -0.06 -0.10 -0.00 -0.04 1.99 1.79 2ziuB1 GLU 445 HG2 -0.10 0.24 0.15 -0.04 2.34 2.60 2ziuB1 GLU 445 HG3 -0.08 -0.08 0.03 -0.04 2.34 2.16 2ziuB1 ALA 446 H -0.06 0.18 0.08 -0.55 8.40 8.06 2ziuB1 ALA 446 HA -0.07 0.08 0.52 -0.75 4.34 4.11 2ziuB1 ALA 446 HB3 -0.04 -0.02 0.11 -0.04 1.41 1.42 2ziuB1 PRO 447 HA -0.03 0.18 0.69 -0.51 4.44 4.77 2ziuB1 PRO 447 HB2 -0.04 -0.00 0.08 -0.04 2.28 2.28 2ziuB1 PRO 447 HB3 -0.03 -0.01 0.10 -0.04 2.02 2.04 2ziuB1 PRO 447 HG2 -0.04 0.03 0.06 -0.04 2.03 2.04 2ziuB1 PRO 447 HG3 -0.04 0.02 0.09 -0.04 2.03 2.06 2ziuB1 PRO 447 HD2 -0.05 -0.09 0.25 -0.04 3.68 3.76 2ziuB1 PRO 447 HD3 -0.04 0.11 0.17 -0.04 3.65 3.85 2ziuB1 LEU 451 HA -0.01 -0.05 0.18 -0.75 4.35 3.72 2ziuB1 LEU 451 HB2 0.02 0.04 0.00 -0.04 1.64 1.66 2ziuB1 LEU 451 HB3 0.01 -0.23 0.11 -0.04 1.64 1.49 2ziuB1 LEU 451 HG -0.01 0.06 -0.05 -0.04 1.64 1.60 2ziuB1 LEU 451 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.84 2ziuB1 LEU 451 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.81 2ziuB1 ARG 452 H 0.00 -0.05 0.03 -0.55 8.46 7.89 2ziuB1 ARG 452 HA -0.00 0.36 1.05 -0.75 4.34 4.98 2ziuB1 ARG 452 HB2 -0.00 0.03 -0.03 -0.04 1.90 1.86 2ziuB1 ARG 452 HB3 -0.00 -0.35 0.23 -0.04 1.80 1.63 2ziuB1 ARG 452 HG2 -0.00 0.12 0.03 -0.04 1.67 1.77 2ziuB1 ARG 452 HG3 -0.00 -0.02 0.02 -0.04 1.67 1.62 2ziuB1 ARG 452 HD2 -0.00 -0.09 -0.03 -0.04 3.22 3.06 2ziuB1 ARG 452 HD3 -0.01 0.07 -0.30 -0.04 3.22 2.94 2ziuB1 ASP 453 H 0.00 0.12 0.08 -0.55 8.40 8.05 2ziuB1 ASP 453 HA -0.01 0.28 0.84 -0.75 4.63 4.98 2ziuB1 ASP 453 HB2 -0.00 0.03 0.17 -0.04 2.71 2.87 2ziuB1 ASP 453 HB3 -0.00 0.01 0.07 -0.04 2.70 2.73 2ziuB1 GLU 454 H 0.01 0.13 -0.58 -0.55 8.60 7.62 2ziuB1 GLU 454 HA 0.03 -0.03 0.33 -0.75 4.29 3.85 2ziuB1 GLU 454 HB2 0.05 -0.01 0.00 -0.04 2.09 2.09 2ziuB1 GLU 454 HB3 0.03 -0.03 0.03 -0.04 1.99 1.98 2ziuB1 GLU 454 HG2 0.04 0.09 -0.12 -0.04 2.34 2.30 2ziuB1 GLU 454 HG3 0.06 0.01 -0.23 -0.04 2.34 2.14 2ziuB1 THR 455 H 0.05 0.04 0.17 -0.55 8.28 7.99 2ziuB1 THR 455 HA 0.04 0.20 0.56 -0.75 4.39 4.44 2ziuB1 THR 455 HB 0.05 0.11 0.16 -0.04 4.32 4.60 2ziuB1 THR 455 HG23 0.12 -0.19 0.07 -0.04 1.22 1.18 2ziuB1 THR 456 H 0.06 0.18 0.18 -0.55 8.28 8.16 2ziuB1 THR 456 HA 0.09 0.16 0.39 -0.75 4.39 4.28 2ziuB1 THR 456 HB 0.09 0.06 0.03 -0.04 4.32 4.46 2ziuB1 THR 456 HG23 0.01 0.02 0.06 -0.04 1.22 1.27 2ziuB1 PHE 457 H 0.22 0.02 -0.16 -0.55 8.34 7.87 2ziuB1 PHE 457 HA 0.05 0.17 0.46 -0.75 4.62 4.54 2ziuB1 PHE 457 HB2 0.02 0.03 0.07 -0.04 3.15 3.23 2ziuB1 PHE 457 HB3 0.02 -0.10 0.06 -0.04 3.06 3.00 2ziuB1 PHE 457 HD2 0.03 -0.02 -0.05 -0.04 7.28 7.19 2ziuB1 PHE 457 HE2 0.02 0.02 -0.05 -0.04 7.38 7.33 2ziuB1 PHE 457 HZ 0.02 0.02 -0.05 -0.04 7.32 7.26 2ziuB1 SER 458 H 0.13 -0.03 -0.22 -0.55 8.46 7.78 2ziuB1 SER 458 HA -0.18 0.07 0.32 -0.75 4.49 3.96 2ziuB1 SER 458 HB2 0.06 -0.08 0.10 -0.04 3.95 3.99 2ziuB1 SER 458 HB3 0.05 0.13 0.09 -0.04 3.93 4.16 2ziuB1 PHE 459 H 0.14 0.35 -0.36 -0.55 8.34 7.92 2ziuB1 PHE 459 HA -0.07 0.04 0.36 -0.75 4.62 4.20 2ziuB1 PHE 459 HB2 -0.03 0.01 0.00 -0.04 3.15 3.09 2ziuB1 PHE 459 HB3 -0.03 0.08 0.09 -0.04 3.06 3.16 2ziuB1 PHE 459 HD2 -0.03 0.01 -0.09 -0.04 7.28 7.13 2ziuB1 PHE 459 HE2 -0.02 -0.00 -0.06 -0.04 7.38 7.26 2ziuB1 PHE 459 HZ -0.01 -0.03 -0.05 -0.04 7.32 7.18 2ziuB1 CYS 460 H 0.02 0.37 -0.14 -0.55 8.50 8.20 2ziuB1 CYS 460 HA -0.26 0.06 0.42 -0.75 4.58 4.05 2ziuB1 CYS 460 HB2 -0.04 -0.02 0.13 -0.04 2.97 3.00 2ziuB1 CYS 460 HB3 0.06 -0.02 0.15 -0.04 2.97 3.12 2ziuB1 LEU 461 H -0.30 0.26 -0.70 -0.55 8.37 7.09 2ziuB1 LEU 461 HA -0.23 0.03 0.57 -0.75 4.35 3.97 2ziuB1 LEU 461 HB2 -0.26 0.26 0.10 -0.04 1.64 1.71 2ziuB1 LEU 461 HB3 -0.19 -0.10 0.05 -0.04 1.64 1.36 2ziuB1 LEU 461 HG -0.78 0.15 -0.05 -0.04 1.64 0.92 2ziuB1 LEU 461 HD13 -0.27 -0.05 -0.04 -0.04 0.93 0.53 2ziuB1 LEU 461 HD23 -0.24 -0.01 -0.02 -0.04 0.89 0.58 2ziuB1 GLU 462 H -0.36 0.48 -0.22 -0.55 8.60 7.95 2ziuB1 GLU 462 HA -0.21 -0.02 0.57 -0.75 4.29 3.87 2ziuB1 GLU 462 HB2 -0.63 0.24 0.16 -0.04 2.09 1.82 2ziuB1 GLU 462 HB3 -0.30 -0.03 0.08 -0.04 1.99 1.70 2ziuB1 GLU 462 HG2 -0.15 -0.06 0.02 -0.04 2.34 2.11 2ziuB1 GLU 462 HG3 -0.20 0.08 0.08 -0.04 2.34 2.25 2ziuB1 SER 463 H -0.20 0.05 0.14 -0.55 8.46 7.90 2ziuB1 SER 463 HA -0.17 0.23 0.74 -0.75 4.49 4.53 2ziuB1 SER 463 HB2 -0.14 -0.03 0.10 -0.04 3.95 3.84 2ziuB1 SER 463 HB3 -0.13 0.02 0.04 -0.04 3.93 3.82 2ziuB1 ASP 464 H -0.12 0.12 0.20 -0.55 8.40 8.05 2ziuB1 ASP 464 HA -0.21 0.27 0.92 -0.75 4.63 4.86 2ziuB1 ASP 464 HB2 0.06 -0.09 0.14 -0.04 2.71 2.79 2ziuB1 ASP 464 HB3 -0.05 0.15 -0.04 -0.04 2.70 2.72 2ziuB1 TRP 465 H 0.06 0.18 0.14 -0.55 7.97 7.79 2ziuB1 TRP 465 HA -0.02 0.10 0.31 -0.75 4.62 4.26 2ziuB1 TRP 465 HB2 -0.00 -0.03 0.08 -0.04 3.23 3.24 2ziuB1 TRP 465 HB3 -0.01 0.02 0.04 -0.04 3.23 3.24 2ziuB1 TRP 465 HD1 0.00 -0.01 0.08 -0.04 7.22 7.25 2ziuB1 TRP 465 HE1 -0.00 0.03 0.02 -0.04 10.20 10.21 2ziuB1 TRP 465 HE3 -0.01 -0.00 0.03 -0.04 7.59 7.57 2ziuB1 TRP 465 HZ2 -0.02 0.03 -0.01 -0.04 7.44 7.40 2ziuB1 TRP 465 HZ3 -0.01 -0.01 -0.01 -0.04 7.13 7.05 2ziuB1 TRP 465 HH2 -0.02 0.01 -0.02 -0.04 7.19 7.12 2ziuB1 ALA 466 H 0.13 -0.00 -0.40 -0.55 8.40 7.59 2ziuB1 ALA 466 HA 0.10 0.05 0.41 -0.75 4.34 4.14 2ziuB1 ALA 466 HB3 0.06 -0.00 0.01 -0.04 1.41 1.44 2ziuB1 GLY 467 H -0.00 0.22 -0.16 -0.55 8.43 7.95 2ziuB1 GLY 467 HA2 -0.03 -0.02 0.30 -0.51 4.01 3.75 2ziuB1 GLY 467 HA3 -0.00 0.02 0.36 -0.51 4.01 3.87 2ziuB1 GLY 468 H -0.00 0.06 0.15 -0.55 8.43 8.10 2ziuB1 GLY 468 HA2 0.01 0.21 0.83 -0.51 4.01 4.55 2ziuB1 GLY 468 HA3 0.00 -0.02 0.29 -0.51 4.01 3.77 2ziuB1 VAL 469 H 0.02 0.16 0.12 -0.55 8.24 7.99 2ziuB1 VAL 469 HA 0.02 0.20 0.91 -0.75 4.13 4.51 2ziuB1 VAL 469 HB 0.03 -0.04 -0.01 -0.04 2.12 2.06 2ziuB1 VAL 469 HG13 0.03 0.03 -0.15 -0.04 0.97 0.84 2ziuB1 VAL 469 HG23 0.03 0.02 -0.20 -0.04 0.95 0.76 2ziuB1 LYS 470 H 0.02 0.15 0.11 -0.55 8.42 8.15 2ziuB1 LYS 470 HA 0.01 0.08 0.50 -0.75 4.32 4.16 2ziuB1 LYS 470 HB2 0.01 -0.01 0.17 -0.04 1.87 2.01 2ziuB1 LYS 470 HB3 0.01 -0.03 -0.03 -0.04 1.79 1.70 2ziuB1 LYS 470 HG2 0.01 -0.01 0.00 -0.04 1.46 1.42 2ziuB1 LYS 470 HG3 0.01 0.02 -0.01 -0.04 1.46 1.43 2ziuB1 LYS 470 HD2 0.01 0.02 -0.11 -0.04 1.69 1.57 2ziuB1 LYS 470 HD3 0.01 0.03 -0.03 -0.04 1.68 1.65 2ziuB1 LYS 470 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 2ziuB1 LYS 470 HE3 0.01 0.03 -0.04 -0.04 2.99 2.94 2ziuB1 VAL 471 H 0.01 0.24 0.20 -0.55 8.24 8.14 2ziuB1 VAL 471 HA 0.02 0.31 1.01 -0.75 4.13 4.70 2ziuB1 VAL 471 HB 0.01 -0.00 0.08 -0.04 2.12 2.17 2ziuB1 VAL 471 HG13 0.01 0.06 -0.19 -0.04 0.97 0.81 2ziuB1 VAL 471 HG23 0.02 0.03 -0.22 -0.04 0.95 0.74 2ziuB1 ASP 472 H 0.01 0.26 0.15 -0.55 8.40 8.27 2ziuB1 ASP 472 HA 0.01 0.20 0.58 -0.75 4.63 4.66 2ziuB1 ASP 472 HB2 0.00 -0.04 0.21 -0.04 2.71 2.84 2ziuB1 ASP 472 HB3 0.01 0.10 0.09 -0.04 2.70 2.86 2ziuB1 LEU 473 H 0.00 0.16 0.17 -0.55 8.37 8.16 2ziuB1 LEU 473 HA 0.00 0.18 0.43 -0.75 4.35 4.20 2ziuB1 LEU 473 HB2 0.00 -0.05 0.16 -0.04 1.64 1.71 2ziuB1 LEU 473 HB3 -0.00 0.05 0.01 -0.04 1.64 1.67 2ziuB1 LEU 473 HG -0.00 0.03 0.06 -0.04 1.64 1.69 2ziuB1 LEU 473 HD13 0.00 0.01 0.00 -0.04 0.93 0.90 2ziuB1 LEU 473 HD23 0.00 -0.00 0.06 -0.04 0.89 0.90 2ziuB1 ALA 474 H 0.00 -0.02 -0.20 -0.55 8.40 7.63 2ziuB1 ALA 474 HA -0.00 0.21 0.56 -0.75 4.34 4.36 2ziuB1 ALA 474 HB3 0.00 -0.01 0.07 -0.04 1.41 1.44 2ziuB1 GLY 475 H 0.00 0.32 -0.41 -0.55 8.43 7.80 2ziuB1 GLY 475 HA2 0.00 0.11 0.22 -0.51 4.01 3.84 2ziuB1 GLY 475 HA3 -0.00 0.20 0.70 -0.51 4.01 4.39 2ziuB1 ARG 476 H 0.01 -0.04 -0.13 -0.55 8.46 7.75 2ziuB1 ARG 476 HA 0.02 0.07 0.49 -0.75 4.34 4.16 2ziuB1 ARG 476 HB2 0.01 -0.08 0.13 -0.04 1.90 1.92 2ziuB1 ARG 476 HB3 0.01 0.07 0.08 -0.04 1.80 1.92 2ziuB1 ARG 476 HG2 0.01 0.08 -0.02 -0.04 1.67 1.70 2ziuB1 ARG 476 HG3 0.01 -0.09 -0.03 -0.04 1.67 1.52 2ziuB1 ARG 476 HD2 0.01 -0.01 0.02 -0.04 3.22 3.20 2ziuB1 ARG 476 HD3 0.01 0.04 0.02 -0.04 3.22 3.25 2ziuB1 GLY 477 H 0.03 0.11 0.23 -0.55 8.43 8.25 2ziuB1 GLY 477 HA2 0.03 0.01 0.40 -0.51 4.01 3.94 2ziuB1 GLY 477 HA3 0.03 0.39 0.82 -0.51 4.01 4.74 2ziuB1 LEU 478 H 0.03 0.54 -0.20 -0.55 8.37 8.20 2ziuB1 LEU 478 HA 0.06 0.06 0.41 -0.75 4.35 4.12 2ziuB1 LEU 478 HB2 0.02 0.10 0.17 -0.04 1.64 1.88 2ziuB1 LEU 478 HB3 0.01 -0.01 0.07 -0.04 1.64 1.68 2ziuB1 LEU 478 HG 0.01 0.04 -0.02 -0.04 1.64 1.63 2ziuB1 LEU 478 HD13 -0.02 0.01 0.06 -0.04 0.93 0.95 2ziuB1 LEU 478 HD23 0.02 -0.00 -0.01 -0.04 0.89 0.85 2ziuB1 ALA 479 H 0.06 0.03 -0.18 -0.55 8.40 7.77 2ziuB1 ALA 479 HA 0.19 0.17 0.39 -0.75 4.34 4.33 2ziuB1 ALA 479 HB3 0.08 0.01 0.07 -0.04 1.41 1.53 2ziuB1 LEU 480 H 0.07 0.10 -0.29 -0.55 8.37 7.70 2ziuB1 LEU 480 HA 0.06 0.04 0.38 -0.75 4.35 4.07 2ziuB1 LEU 480 HB2 0.04 -0.09 0.10 -0.04 1.64 1.65 2ziuB1 LEU 480 HB3 0.05 0.19 0.08 -0.04 1.64 1.92 2ziuB1 LEU 480 HG 0.04 0.01 -0.07 -0.04 1.64 1.57 2ziuB1 LEU 480 HD13 0.02 -0.01 0.01 -0.04 0.93 0.92 2ziuB1 LEU 480 HD23 0.03 0.00 -0.01 -0.04 0.89 0.87 2ziuB1 VAL 481 H 0.10 0.28 -0.15 -0.55 8.24 7.92 2ziuB1 VAL 481 HA 0.08 0.04 0.40 -0.75 4.13 3.90 2ziuB1 VAL 481 HB 0.11 0.05 0.22 -0.04 2.12 2.46 2ziuB1 VAL 481 HG13 0.10 0.00 -0.13 -0.04 0.97 0.91 2ziuB1 VAL 481 HG23 0.05 0.02 -0.05 -0.04 0.95 0.93 2ziuB1 TRP 482 H 0.30 0.75 -0.02 -0.55 7.97 8.46 2ziuB1 TRP 482 HA 0.02 -0.01 0.34 -0.75 4.62 4.21 2ziuB1 TRP 482 HB2 0.02 -0.02 0.11 -0.04 3.23 3.30 2ziuB1 TRP 482 HB3 0.02 0.19 0.15 -0.04 3.23 3.55 2ziuB1 TRP 482 HD1 0.03 0.06 -0.19 -0.04 7.22 7.07 2ziuB1 TRP 482 HE1 0.06 0.55 0.14 -0.04 10.20 10.91 2ziuB1 TRP 482 HE3 0.02 -0.01 0.08 -0.04 7.59 7.64 2ziuB1 TRP 482 HZ2 0.03 0.07 -0.16 -0.04 7.44 7.34 2ziuB1 TRP 482 HZ3 0.03 0.03 -0.02 -0.04 7.13 7.13 2ziuB1 TRP 482 HH2 0.03 0.04 -0.03 -0.04 7.19 7.19 2ziuB1 ARG 483 H 0.11 0.44 -0.24 -0.55 8.46 8.21 2ziuB1 ARG 483 HA -0.29 0.04 0.34 -0.75 4.34 3.68 2ziuB1 ARG 483 HB2 -0.03 0.06 0.06 -0.04 1.90 1.95 2ziuB1 ARG 483 HB3 -0.01 0.06 0.09 -0.04 1.80 1.90 2ziuB1 ARG 483 HG2 -0.08 -0.05 -0.22 -0.04 1.67 1.27 2ziuB1 ARG 483 HG3 -0.09 0.01 -0.26 -0.04 1.67 1.29 2ziuB1 ARG 483 HD2 -0.03 -0.03 -0.08 -0.04 3.22 3.04 2ziuB1 ARG 483 HD3 -0.01 -0.01 -0.07 -0.04 3.22 3.09 2ziuB1 ARG 484 H 0.03 0.59 -0.08 -0.55 8.46 8.45 2ziuB1 ARG 484 HA -0.01 -0.04 0.40 -0.75 4.34 3.94 2ziuB1 ARG 484 HB2 0.04 0.11 0.12 -0.04 1.90 2.14 2ziuB1 ARG 484 HB3 0.02 -0.01 0.01 -0.04 1.80 1.78 2ziuB1 ARG 484 HG2 0.01 -0.06 0.00 -0.04 1.67 1.59 2ziuB1 ARG 484 HG3 0.02 -0.02 0.05 -0.04 1.67 1.68 2ziuB1 ARG 484 HD2 0.02 -0.07 -0.05 -0.04 3.22 3.09 2ziuB1 ARG 484 HD3 0.03 -0.00 -0.11 -0.04 3.22 3.10 2ziuB1 GLN 485 H 0.06 0.50 -0.39 -0.55 8.47 8.10 2ziuB1 GLN 485 HA 0.06 0.03 0.43 -0.75 4.36 4.13 2ziuB1 GLN 485 HB2 0.22 0.18 0.14 -0.04 2.15 2.65 2ziuB1 GLN 485 HB3 0.18 -0.05 -0.01 -0.04 2.02 2.10 2ziuB1 GLN 485 HG2 0.12 -0.04 -0.03 -0.04 2.40 2.42 2ziuB1 GLN 485 HG3 0.23 0.19 -0.20 -0.04 2.39 2.57 2ziuB1 GLN 485 HE21 0.23 -0.04 -0.02 -0.04 6.97 7.09 2ziuB1 GLN 485 HE22 0.72 0.06 -0.00 -0.04 7.69 8.42 2ziuB1 ILE 486 H -0.17 0.45 -0.11 -0.55 8.25 7.87 2ziuB1 ILE 486 HA -0.10 0.02 0.41 -0.75 4.18 3.76 2ziuB1 ILE 486 HB -0.24 0.14 0.12 -0.04 1.89 1.87 2ziuB1 ILE 486 HG12 -0.76 0.26 0.13 -0.04 1.49 1.08 2ziuB1 ILE 486 HG13 -0.67 -0.05 0.00 -0.04 1.21 0.46 2ziuB1 ILE 486 HG23 -0.13 -0.03 -0.06 -0.04 0.93 0.66 2ziuB1 ILE 486 HD13 -0.44 -0.02 -0.04 -0.04 0.88 0.33 2ziuB1 GLN 487 H -0.06 0.30 -0.35 -0.55 8.47 7.82 2ziuB1 GLN 487 HA -0.03 0.03 0.37 -0.75 4.36 3.97 2ziuB1 GLN 487 HB2 -0.01 0.15 0.08 -0.04 2.15 2.32 2ziuB1 GLN 487 HB3 -0.00 -0.04 0.05 -0.04 2.02 1.98 2ziuB1 GLN 487 HG2 -0.03 -0.04 -0.22 -0.04 2.40 2.08 2ziuB1 GLN 487 HG3 -0.05 0.09 -0.09 -0.04 2.39 2.30 2ziuB1 GLN 487 HE21 -0.00 -0.03 -0.02 -0.04 6.97 6.87 2ziuB1 GLN 487 HE22 -0.01 -0.09 -0.10 -0.04 7.69 7.45 2ziuB1 GLN 488 H -0.00 0.36 -0.76 -0.55 8.47 7.52 2ziuB1 GLN 488 HA 0.02 0.04 0.54 -0.75 4.36 4.21 2ziuB1 GLN 488 HB2 0.03 0.17 0.11 -0.04 2.15 2.42 2ziuB1 GLN 488 HB3 0.03 -0.10 0.06 -0.04 2.02 1.97 2ziuB1 GLN 488 HG2 0.02 0.21 0.18 -0.04 2.40 2.77 2ziuB1 GLN 488 HG3 0.03 -0.10 0.04 -0.04 2.39 2.33 2ziuB1 GLN 488 HE21 0.02 -0.13 -0.10 -0.04 6.97 6.72 2ziuB1 GLN 488 HE22 0.02 0.48 -0.05 -0.04 7.69 8.10 2ziuB1 LEU 489 H 0.00 0.29 -0.19 -0.55 8.37 7.92 2ziuB1 LEU 489 HA 0.02 -0.03 0.50 -0.75 4.35 4.09 2ziuB1 LEU 489 HB2 -0.00 0.15 0.17 -0.04 1.64 1.91 2ziuB1 LEU 489 HB3 0.01 0.04 -0.04 -0.04 1.64 1.60 2ziuB1 LEU 489 HG 0.02 -0.06 -0.04 -0.04 1.64 1.52 2ziuB1 LEU 489 HD13 0.03 -0.01 0.00 -0.04 0.93 0.91 2ziuB1 LEU 489 HD23 0.02 -0.00 -0.05 -0.04 0.89 0.81 2ziuB1 ASN 490 H 0.02 0.05 0.15 -0.55 8.53 8.20 2ziuB1 ASN 490 HA 0.02 0.09 0.34 -0.75 4.76 4.46 2ziuB1 ASN 490 HB2 0.02 -0.01 0.05 -0.04 2.88 2.90 2ziuB1 ASN 490 HB3 0.01 -0.06 0.05 -0.04 2.79 2.76 2ziuB1 ASN 490 HD21 0.02 0.01 0.04 -0.04 7.03 7.07 2ziuB1 ASN 490 HD22 0.02 -0.00 0.04 -0.04 7.74 7.76 2ziuB1 ARG 491 H 0.01 0.11 0.13 -0.55 8.46 8.16 2ziuB1 ARG 491 HA 0.01 -0.02 0.29 -0.75 4.34 3.86 2ziuB1 ARG 491 HB2 0.01 0.17 -0.21 -0.04 1.90 1.83 2ziuB1 ARG 491 HB3 0.01 -0.04 0.20 -0.04 1.80 1.92 2ziuB1 ARG 491 HG2 0.01 -0.01 0.04 -0.04 1.67 1.67 2ziuB1 ARG 491 HG3 0.01 -0.03 -0.07 -0.04 1.67 1.53 2ziuB1 ARG 491 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.16 2ziuB1 ARG 491 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.15 2ziuB1 VAL 492 H 0.00 0.33 -0.40 -0.55 8.24 7.63 2ziuB1 VAL 492 HA -0.01 0.07 0.96 -0.75 4.13 4.39 2ziuB1 VAL 492 HB -0.01 0.28 0.09 -0.04 2.12 2.43 2ziuB1 VAL 492 HG13 -0.04 -0.04 -0.32 -0.04 0.97 0.53 2ziuB1 VAL 492 HG23 -0.01 0.04 -0.14 -0.04 0.95 0.79 2ziuB1 SER 493 H -0.01 0.11 0.12 -0.55 8.46 8.14 2ziuB1 SER 493 HA -0.01 0.21 0.57 -0.75 4.49 4.51 2ziuB1 SER 493 HB2 -0.01 -0.02 0.12 -0.04 3.95 4.00 2ziuB1 SER 493 HB3 -0.00 0.13 0.05 -0.04 3.93 4.07 2ziuB1 LEU 494 H -0.01 0.18 0.15 -0.55 8.37 8.15 2ziuB1 LEU 494 HA -0.02 0.16 0.38 -0.75 4.35 4.12 2ziuB1 LEU 494 HB2 -0.01 0.09 0.11 -0.04 1.64 1.79 2ziuB1 LEU 494 HB3 -0.01 -0.05 0.17 -0.04 1.64 1.71 2ziuB1 LEU 494 HG -0.01 -0.00 -0.37 -0.04 1.64 1.21 2ziuB1 LEU 494 HD13 -0.01 0.01 -0.03 -0.04 0.93 0.86 2ziuB1 LEU 494 HD23 -0.00 0.01 -0.02 -0.04 0.89 0.83 2ziuB1 GLU 495 H -0.01 0.09 -0.09 -0.55 8.60 8.04 2ziuB1 GLU 495 HA -0.02 0.12 0.38 -0.75 4.29 4.02 2ziuB1 GLU 495 HB2 -0.01 -0.03 0.01 -0.04 2.09 2.01 2ziuB1 GLU 495 HB3 -0.01 0.11 -0.01 -0.04 1.99 2.03 2ziuB1 GLU 495 HG2 -0.01 0.02 -0.02 -0.04 2.34 2.29 2ziuB1 GLU 495 HG3 -0.01 -0.04 0.03 -0.04 2.34 2.28 2ziuB1 MET 496 H -0.02 0.02 -0.46 -0.55 8.47 7.47 2ziuB1 MET 496 HA -0.02 0.08 0.41 -0.75 4.52 4.24 2ziuB1 MET 496 HB2 -0.02 0.02 0.15 -0.04 2.15 2.26 2ziuB1 MET 496 HB3 -0.02 0.08 -0.02 -0.04 2.03 2.03 2ziuB1 MET 496 HG2 -0.01 0.08 -0.01 -0.04 2.63 2.65 2ziuB1 MET 496 HG3 -0.01 -0.10 -0.02 -0.04 2.56 2.39 2ziuB1 MET 496 HE3 -0.00 0.05 0.13 -0.04 2.10 2.23 2ziuB1 ALA 497 H -0.04 0.56 -0.13 -0.55 8.40 8.24 2ziuB1 ALA 497 HA -0.11 0.02 0.30 -0.75 4.34 3.79 2ziuB1 ALA 497 HB3 -0.09 0.06 -0.00 -0.04 1.41 1.34 2ziuB1 SER 498 H -0.04 0.49 -0.24 -0.55 8.46 8.11 2ziuB1 SER 498 HA -0.05 -0.00 0.33 -0.75 4.49 4.01 2ziuB1 SER 498 HB2 -0.02 0.14 0.10 -0.04 3.95 4.13 2ziuB1 SER 498 HB3 -0.02 -0.04 -0.01 -0.04 3.93 3.82 2ziuB1 ALA 499 H -0.03 0.46 -0.25 -0.55 8.40 8.03 2ziuB1 ALA 499 HA -0.01 -0.01 0.38 -0.75 4.34 3.94 2ziuB1 ALA 499 HB3 -0.01 0.07 0.09 -0.04 1.41 1.51 2ziuB1 VAL 500 H -0.04 0.54 -0.10 -0.55 8.24 8.10 2ziuB1 VAL 500 HA 0.04 -0.02 0.34 -0.75 4.13 3.74 2ziuB1 VAL 500 HB -0.14 0.10 0.10 -0.04 2.12 2.15 2ziuB1 VAL 500 HG13 -0.06 -0.01 -0.18 -0.04 0.97 0.68 2ziuB1 VAL 500 HG23 -0.02 0.03 -0.03 -0.04 0.95 0.89 2ziuB1 VAL 501 H -0.13 0.71 -0.12 -0.55 8.24 8.14 2ziuB1 VAL 501 HA -0.07 0.12 0.28 -0.75 4.13 3.71 2ziuB1 VAL 501 HB -0.21 0.21 0.07 -0.04 2.12 2.15 2ziuB1 VAL 501 HG13 0.01 -0.02 -0.18 -0.04 0.97 0.73 2ziuB1 VAL 501 HG23 -1.05 -0.03 -0.17 -0.04 0.95 -0.34 2ziuB1 ASN 502 H -0.01 0.53 -0.36 -0.55 8.53 8.14 2ziuB1 ASN 502 HA 0.02 -0.02 0.48 -0.75 4.76 4.49 2ziuB1 ASN 502 HB2 -0.01 -0.03 0.07 -0.04 2.88 2.87 2ziuB1 ASN 502 HB3 -0.01 0.14 0.18 -0.04 2.79 3.05 2ziuB1 ASN 502 HD21 -0.01 -0.06 -0.01 -0.04 7.03 6.92 2ziuB1 ASN 502 HD22 0.00 -0.02 0.04 -0.04 7.74 7.72 2ziuB1 ALA 503 H -0.00 0.45 -0.11 -0.55 8.40 8.20 2ziuB1 ALA 503 HA -0.17 -0.04 0.38 -0.75 4.34 3.75 2ziuB1 ALA 503 HB3 -0.07 0.03 0.12 -0.04 1.41 1.44 2ziuB1 TYR 504 H 0.18 0.44 -0.28 -0.55 8.29 8.07 2ziuB1 TYR 504 HA 0.09 0.15 0.76 -0.75 4.56 4.79 2ziuB1 TYR 504 HB2 0.16 0.04 0.09 -0.04 3.06 3.30 2ziuB1 TYR 504 HB3 0.15 -0.13 -0.07 -0.04 2.98 2.89 2ziuB1 TYR 504 HD2 0.01 0.03 -0.17 -0.04 7.15 6.98 2ziuB1 TYR 504 HE2 -0.03 -0.02 -0.04 -0.04 6.85 6.71 2ziuB1 PRO 505 HA 0.39 0.20 0.42 -0.51 4.44 4.94 2ziuB1 PRO 505 HB2 0.10 -0.11 0.17 -0.04 2.28 2.41 2ziuB1 PRO 505 HB3 0.11 0.09 0.16 -0.04 2.02 2.33 2ziuB1 PRO 505 HG2 0.07 -0.09 -0.02 -0.04 2.03 1.95 2ziuB1 PRO 505 HG3 0.04 0.02 0.04 -0.04 2.03 2.09 2ziuB1 PRO 505 HD2 0.05 0.09 0.06 -0.04 3.68 3.84 2ziuB1 PRO 505 HD3 0.04 0.46 -0.25 -0.04 3.65 3.86 2ziuB1 SER 506 H 0.36 0.45 -0.53 -0.55 8.46 8.19 2ziuB1 SER 506 HA -0.87 0.13 0.44 -0.75 4.49 3.43 2ziuB1 SER 506 HB2 -0.26 0.00 0.15 -0.04 3.95 3.80 2ziuB1 SER 506 HB3 -0.09 0.23 -0.21 -0.04 3.93 3.81 2ziuB1 PRO 507 HA -0.46 0.14 0.46 -0.51 4.44 4.07 2ziuB1 PRO 507 HB2 -0.34 -0.01 0.09 -0.04 2.28 1.98 2ziuB1 PRO 507 HB3 -0.35 0.12 0.10 -0.04 2.02 1.85 2ziuB1 PRO 507 HG2 -0.60 0.07 0.09 -0.04 2.03 1.55 2ziuB1 PRO 507 HG3 -1.86 0.11 0.09 -0.04 2.03 0.32 2ziuB1 PRO 507 HD2 -0.62 0.08 0.23 -0.04 3.68 3.33 2ziuB1 PRO 507 HD3 -1.66 0.18 0.20 -0.04 3.65 2.33 2ziuB1 GLN 508 H -0.22 0.15 -0.16 -0.55 8.47 7.69 2ziuB1 GLN 508 HA -0.06 0.10 0.40 -0.75 4.36 4.04 2ziuB1 GLN 508 HB2 -0.08 -0.02 0.04 -0.04 2.15 2.05 2ziuB1 GLN 508 HB3 -0.04 0.04 -0.06 -0.04 2.02 1.93 2ziuB1 GLN 508 HG2 -0.10 -0.01 0.03 -0.04 2.40 2.28 2ziuB1 GLN 508 HG3 -0.06 0.03 0.01 -0.04 2.39 2.33 2ziuB1 GLN 508 HE21 -0.04 0.04 -0.01 -0.04 6.97 6.92 2ziuB1 GLN 508 HE22 -0.06 0.00 -0.02 -0.04 7.69 7.57 2ziuB1 LEU 509 H -0.03 0.16 -0.34 -0.55 8.37 7.61 2ziuB1 LEU 509 HA 0.06 0.05 0.40 -0.75 4.35 4.12 2ziuB1 LEU 509 HB2 0.10 -0.03 0.01 -0.04 1.64 1.68 2ziuB1 LEU 509 HB3 0.28 0.07 -0.06 -0.04 1.64 1.89 2ziuB1 LEU 509 HG 0.09 0.09 0.02 -0.04 1.64 1.81 2ziuB1 LEU 509 HD13 0.05 -0.02 -0.02 -0.04 0.93 0.89 2ziuB1 LEU 509 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.81 2ziuB1 LEU 510 H 0.04 0.30 -0.30 -0.55 8.37 7.87 2ziuB1 LEU 510 HA -0.50 0.08 0.47 -0.75 4.35 3.64 2ziuB1 LEU 510 HB2 0.26 0.07 0.11 -0.04 1.64 2.04 2ziuB1 LEU 510 HB3 0.09 0.08 0.05 -0.04 1.64 1.82 2ziuB1 LEU 510 HG -0.04 0.03 -0.02 -0.04 1.64 1.57 2ziuB1 LEU 510 HD13 0.33 0.00 -0.06 -0.04 0.93 1.16 2ziuB1 LEU 510 HD23 -0.77 -0.01 -0.02 -0.04 0.89 0.04 2ziuB1 VAL 511 H -0.01 0.65 0.04 -0.55 8.24 8.37 2ziuB1 VAL 511 HA 0.21 0.09 0.48 -0.75 4.13 4.15 2ziuB1 VAL 511 HB 0.01 0.01 0.18 -0.04 2.12 2.27 2ziuB1 VAL 511 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.83 2ziuB1 VAL 511 HG23 0.08 0.02 0.05 -0.04 0.95 1.06 2ziuB1 GLN 512 H -0.00 0.62 -0.10 -0.55 8.47 8.45 2ziuB1 GLN 512 HA 0.02 0.04 0.46 -0.75 4.36 4.13 2ziuB1 GLN 512 HB2 0.02 0.10 0.10 -0.04 2.15 2.32 2ziuB1 GLN 512 HB3 0.02 -0.04 0.00 -0.04 2.02 1.96 2ziuB1 GLN 512 HG2 0.00 0.11 0.09 -0.04 2.40 2.55 2ziuB1 GLN 512 HG3 0.00 -0.05 -0.01 -0.04 2.39 2.29 2ziuB1 GLN 512 HE21 -0.00 -0.00 -0.01 -0.04 6.97 6.92 2ziuB1 GLN 512 HE22 0.00 -0.00 -0.01 -0.04 7.69 7.64 2ziuB1 ALA 513 H -0.07 0.36 -0.41 -0.55 8.40 7.74 2ziuB1 ALA 513 HA 0.02 0.01 0.41 -0.75 4.34 4.03 2ziuB1 ALA 513 HB3 -0.17 0.06 0.11 -0.04 1.41 1.38 2ziuB1 TYR 514 H -0.06 0.38 -0.35 -0.55 8.29 7.71 2ziuB1 TYR 514 HA -0.04 0.00 0.50 -0.75 4.56 4.27 2ziuB1 TYR 514 HB2 0.06 0.20 0.13 -0.04 3.06 3.41 2ziuB1 TYR 514 HB3 0.11 -0.10 0.03 -0.04 2.98 2.98 2ziuB1 TYR 514 HD2 -0.01 -0.05 0.01 -0.04 7.15 7.05 2ziuB1 TYR 514 HE2 0.03 0.07 -0.03 -0.04 6.85 6.88 2ziuB1 GLN 515 H 0.08 0.29 -0.32 -0.55 8.47 7.97 2ziuB1 GLN 515 HA 0.03 0.02 0.45 -0.75 4.36 4.10 2ziuB1 GLN 515 HB2 0.01 0.13 0.11 -0.04 2.15 2.36 2ziuB1 GLN 515 HB3 -0.00 -0.08 0.09 -0.04 2.02 1.99 2ziuB1 GLN 515 HG2 0.08 0.41 0.17 -0.04 2.40 3.01 2ziuB1 GLN 515 HG3 0.03 -0.11 -0.02 -0.04 2.39 2.25 2ziuB1 GLN 515 HE21 0.01 -0.03 -0.01 -0.04 6.97 6.90 2ziuB1 GLN 515 HE22 0.02 -0.03 -0.03 -0.04 7.69 7.60 2ziuB1 GLN 516 H 0.01 0.31 -0.46 -0.55 8.47 7.78 2ziuB1 GLN 516 HA -0.12 0.11 0.73 -0.75 4.36 4.32 2ziuB1 GLN 516 HB2 0.02 0.10 0.11 -0.04 2.15 2.35 2ziuB1 GLN 516 HB3 0.04 -0.09 0.15 -0.04 2.02 2.08 2ziuB1 GLN 516 HG2 0.01 -0.07 0.03 -0.04 2.40 2.32 2ziuB1 GLN 516 HG3 -0.02 0.01 -0.10 -0.04 2.39 2.23 2ziuB1 GLN 516 HE21 0.02 -0.09 -0.09 -0.04 6.97 6.77 2ziuB1 GLN 516 HE22 0.00 -0.00 -0.05 -0.04 7.69 7.60 2ziuB1 CYS 517 H -0.03 0.29 -0.57 -0.55 8.50 7.64 2ziuB1 CYS 517 HA 0.15 0.08 0.64 -0.75 4.58 4.70 2ziuB1 CYS 517 HB2 0.02 0.32 0.10 -0.04 2.97 3.37 2ziuB1 CYS 517 HB3 0.05 -0.30 0.10 -0.04 2.97 2.78 2ziuB1 PHE 518 H 0.29 -0.01 0.19 -0.55 8.34 8.26 2ziuB1 PHE 518 HA 0.01 0.30 0.90 -0.75 4.62 5.07 2ziuB1 PHE 518 HB2 0.00 -0.05 0.04 -0.04 3.15 3.10 2ziuB1 PHE 518 HB3 0.00 -0.02 0.10 -0.04 3.06 3.10 2ziuB1 PHE 518 HD2 0.01 -0.08 -0.03 -0.04 7.28 7.14 2ziuB1 PHE 518 HE2 0.01 0.03 -0.01 -0.04 7.38 7.37 2ziuB1 PHE 518 HZ 0.01 -0.03 -0.02 -0.04 7.32 7.24 2ziuB1 SER 519 H 0.10 0.08 0.15 -0.55 8.46 8.25 2ziuB1 SER 519 HA 0.04 0.24 0.88 -0.75 4.49 4.90 2ziuB1 SER 519 HB2 0.05 0.18 -0.05 -0.04 3.95 4.10 2ziuB1 SER 519 HB3 0.05 0.01 0.07 -0.04 3.93 4.03 2ziuB1 ASP 520 H 0.00 0.27 0.15 -0.55 8.40 8.28 2ziuB1 ASP 520 HA -0.10 0.16 0.51 -0.75 4.63 4.44 2ziuB1 ASP 520 HB2 0.01 -0.00 0.13 -0.04 2.71 2.80 2ziuB1 ASP 520 HB3 0.01 0.05 -0.01 -0.04 2.70 2.71 2ziuB1 LYS 521 H -0.01 0.08 -0.19 -0.55 8.42 7.74 2ziuB1 LYS 521 HA -0.03 0.16 0.45 -0.75 4.32 4.15 2ziuB1 LYS 521 HB2 -0.00 0.01 0.04 -0.04 1.87 1.88 2ziuB1 LYS 521 HB3 -0.00 -0.02 -0.04 -0.04 1.79 1.69 2ziuB1 LYS 521 HG2 -0.00 0.03 0.00 -0.04 1.46 1.45 2ziuB1 LYS 521 HG3 0.00 0.02 0.01 -0.04 1.46 1.45 2ziuB1 LYS 521 HD2 0.00 0.02 -0.04 -0.04 1.69 1.63 2ziuB1 LYS 521 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.60 2ziuB1 LYS 521 HE2 0.00 0.02 -0.16 -0.04 2.99 2.82 2ziuB1 LYS 521 HE3 0.00 0.02 -0.08 -0.04 2.99 2.89 2ziuB1 GLU 522 H -0.03 0.01 -0.60 -0.55 8.60 7.44 2ziuB1 GLU 522 HA -0.00 0.13 0.46 -0.75 4.29 4.12 2ziuB1 GLU 522 HB2 0.03 -0.05 0.07 -0.04 2.09 2.10 2ziuB1 GLU 522 HB3 0.02 0.25 0.29 -0.04 1.99 2.51 2ziuB1 GLU 522 HG2 0.05 0.10 -0.19 -0.04 2.34 2.26 2ziuB1 GLU 522 HG3 0.04 0.04 -0.01 -0.04 2.34 2.37 2ziuB1 ARG 523 H -0.14 0.45 0.08 -0.55 8.46 8.31 2ziuB1 ARG 523 HA -0.03 0.09 0.42 -0.75 4.34 4.07 2ziuB1 ARG 523 HB2 -0.81 0.00 0.19 -0.04 1.90 1.24 2ziuB1 ARG 523 HB3 -1.20 0.05 0.03 -0.04 1.80 0.64 2ziuB1 ARG 523 HG2 -0.04 0.10 0.12 -0.04 1.67 1.81 2ziuB1 ARG 523 HG3 -0.12 0.03 0.03 -0.04 1.67 1.57 2ziuB1 ARG 523 HD2 -0.15 -0.08 -0.00 -0.04 3.22 2.95 2ziuB1 ARG 523 HD3 -0.05 0.04 -0.01 -0.04 3.22 3.16 2ziuB1 GLN 524 H -0.41 0.42 -0.16 -0.55 8.47 7.77 2ziuB1 GLN 524 HA -0.13 0.13 0.34 -0.75 4.36 3.95 2ziuB1 GLN 524 HB2 0.10 -0.02 0.16 -0.04 2.15 2.35 2ziuB1 GLN 524 HB3 -0.07 0.05 0.13 -0.04 2.02 2.09 2ziuB1 GLN 524 HG2 -0.05 0.03 -0.08 -0.04 2.40 2.27 2ziuB1 GLN 524 HG3 0.00 -0.01 -0.26 -0.04 2.39 2.08 2ziuB1 GLN 524 HE21 0.02 -0.04 -0.03 -0.04 6.97 6.88 2ziuB1 GLN 524 HE22 0.01 0.01 -0.03 -0.04 7.69 7.64 2ziuB1 ASN 525 H -0.05 0.31 -1.13 -0.55 8.53 7.11 2ziuB1 ASN 525 HA 0.03 0.12 0.87 -0.75 4.76 5.02 2ziuB1 ASN 525 HB2 -0.00 0.25 0.07 -0.04 2.88 3.16 2ziuB1 ASN 525 HB3 0.02 -0.11 0.12 -0.04 2.79 2.77 2ziuB1 ASN 525 HD21 0.01 -0.06 -0.01 -0.04 7.03 6.93 2ziuB1 ASN 525 HD22 0.01 -0.03 -0.00 -0.04 7.74 7.67 2ziuB1 LEU 526 H 0.05 0.61 0.01 -0.55 8.37 8.49 2ziuB1 LEU 526 HA 0.05 0.02 0.36 -0.75 4.35 4.03 2ziuB1 LEU 526 HB2 0.10 0.07 0.23 -0.04 1.64 2.01 2ziuB1 LEU 526 HB3 0.11 0.01 0.10 -0.04 1.64 1.81 2ziuB1 LEU 526 HG 0.02 -0.04 -0.11 -0.04 1.64 1.47 2ziuB1 LEU 526 HD13 0.06 -0.01 0.00 -0.04 0.93 0.94 2ziuB1 LEU 526 HD23 -0.44 -0.00 -0.10 -0.04 0.89 0.31 2ziuB1 LEU 527 H 0.08 0.12 -0.32 -0.55 8.37 7.71 2ziuB1 LEU 527 HA 0.09 0.24 0.90 -0.75 4.35 4.82 2ziuB1 LEU 527 HB2 0.07 -0.01 -0.04 -0.04 1.64 1.61 2ziuB1 LEU 527 HB3 0.07 -0.02 0.08 -0.04 1.64 1.73 2ziuB1 LEU 527 HG 0.05 -0.03 -0.13 -0.04 1.64 1.49 2ziuB1 LEU 527 HD13 0.05 0.01 -0.08 -0.04 0.93 0.88 2ziuB1 LEU 527 HD23 0.06 0.04 -0.12 -0.04 0.89 0.82 2ziuB1 ALA 528 H 0.05 0.36 -0.24 -0.55 8.40 8.01 2ziuB1 ALA 528 HA 0.03 0.17 0.35 -0.75 4.34 4.13 2ziuB1 ALA 528 HB3 0.03 0.00 -0.08 -0.04 1.41 1.32 2ziuB1 ASP 529 H 0.03 0.24 -0.30 -0.55 8.40 7.83 2ziuB1 ASP 529 HA 0.02 0.13 0.74 -0.75 4.63 4.76 2ziuB1 ASP 529 HB2 0.02 0.07 0.01 -0.04 2.71 2.78 2ziuB1 ASP 529 HB3 0.02 -0.02 0.13 -0.04 2.70 2.79 2ziuB1 ILE 530 H 0.03 0.47 -0.36 -0.55 8.25 7.84 2ziuB1 ILE 530 HA 0.02 0.04 0.55 -0.75 4.18 4.03 2ziuB1 ILE 530 HB 0.03 0.11 0.16 -0.04 1.89 2.15 2ziuB1 ILE 530 HG12 0.04 -0.01 0.02 -0.04 1.49 1.51 2ziuB1 ILE 530 HG13 0.07 -0.05 0.06 -0.04 1.21 1.25 2ziuB1 ILE 530 HG23 0.02 -0.01 -0.23 -0.04 0.93 0.67 2ziuB1 ILE 530 HD13 0.12 0.02 0.01 -0.04 0.88 0.99 2ziuB1 GLN 531 H 0.01 0.12 0.22 -0.55 8.47 8.27 2ziuB1 GLN 531 HA 0.00 0.22 0.77 -0.75 4.36 4.60 2ziuB1 GLN 531 HB2 0.00 0.08 0.13 -0.04 2.15 2.32 2ziuB1 GLN 531 HB3 -0.00 -0.12 -0.04 -0.04 2.02 1.82 2ziuB1 GLN 531 HG2 0.00 -0.00 -0.02 -0.04 2.40 2.34 2ziuB1 GLN 531 HG3 0.00 -0.08 0.08 -0.04 2.39 2.35 2ziuB1 GLN 531 HE21 0.00 0.02 -0.08 -0.04 6.97 6.87 2ziuB1 GLN 531 HE22 0.00 0.02 -0.01 -0.04 7.69 7.66 2ziuB1 VAL 532 H -0.00 0.45 0.21 -0.55 8.24 8.35 2ziuB1 VAL 532 HA -0.00 0.11 0.26 -0.75 4.13 3.74 2ziuB1 VAL 532 HB -0.01 -0.03 -0.10 -0.04 2.12 1.94 2ziuB1 VAL 532 HG13 -0.00 0.06 -0.10 -0.04 0.97 0.88 2ziuB1 VAL 532 HG23 -0.00 0.00 -0.04 -0.04 0.95 0.86 2ziuB1 ARG 533 H -0.00 0.01 -0.27 -0.55 8.46 7.64 2ziuB1 ARG 533 HA -0.01 0.28 0.79 -0.75 4.34 4.65 2ziuB1 ARG 533 HB2 -0.00 -0.02 0.01 -0.04 1.90 1.84 2ziuB1 ARG 533 HB3 -0.00 -0.06 0.11 -0.04 1.80 1.80 2ziuB1 ARG 533 HG2 -0.01 0.05 -0.01 -0.04 1.67 1.67 2ziuB1 ARG 533 HG3 -0.01 0.03 -0.51 -0.04 1.67 1.14 2ziuB1 ARG 533 HD2 -0.00 -0.03 -0.06 -0.04 3.22 3.08 2ziuB1 ARG 533 HD3 -0.00 -0.03 -0.09 -0.04 3.22 3.06 2ziuB1 ARG 534 H -0.01 0.30 -0.09 -0.55 8.46 8.11 2ziuB1 ARG 534 HA -0.00 -0.03 0.41 -0.75 4.34 3.96 2ziuB1 ARG 534 HB2 -0.01 0.08 0.13 -0.04 1.90 2.06 2ziuB1 ARG 534 HB3 -0.01 0.05 -0.04 -0.04 1.80 1.76 2ziuB1 ARG 534 HG2 -0.01 0.04 0.04 -0.04 1.67 1.71 2ziuB1 ARG 534 HG3 -0.00 -0.06 0.06 -0.04 1.67 1.63 2ziuB1 ARG 534 HD2 -0.00 0.05 0.12 -0.04 3.22 3.34 2ziuB1 ARG 534 HD3 -0.01 0.09 0.08 -0.04 3.22 3.34 2ziuB1 GLY 535 H -0.00 0.16 0.16 -0.55 8.43 8.19 2ziuB1 GLY 535 HA2 -0.00 0.01 0.38 -0.51 4.01 3.89 2ziuB1 GLY 535 HA3 -0.00 0.21 0.82 -0.51 4.01 4.52 2ziuB1 GLU 536 H -0.00 0.44 -0.21 -0.55 8.60 8.28 2ziuB1 GLU 536 HA -0.00 0.01 0.27 -0.75 4.29 3.82 2ziuB1 GLU 536 HB2 -0.00 0.15 0.36 -0.04 2.09 2.55 2ziuB1 GLU 536 HB3 -0.00 -0.05 0.12 -0.04 1.99 2.02 2ziuB1 GLU 536 HG2 -0.00 -0.05 -0.09 -0.04 2.34 2.16 2ziuB1 GLU 536 HG3 -0.00 0.09 -0.35 -0.04 2.34 2.03 2ziuB1 THR 541 HA -0.00 -0.11 0.17 -0.75 4.39 3.70 2ziuB1 THR 541 HB 0.00 -0.10 -0.01 -0.04 4.32 4.17 2ziuB1 THR 541 HG23 0.00 0.01 0.03 -0.04 1.22 1.21 2ziuB1 SER 542 H -0.00 -0.05 0.05 -0.55 8.46 7.92 2ziuB1 SER 542 HA -0.00 0.30 0.99 -0.75 4.49 5.02 2ziuB1 SER 542 HB2 -0.00 -0.07 -0.01 -0.04 3.95 3.82 2ziuB1 SER 542 HB3 -0.00 -0.00 0.09 -0.04 3.93 3.97 2ziuB1 ARG 543 H 0.00 -0.00 0.08 -0.55 8.46 7.99 2ziuB1 ARG 543 HA 0.00 0.03 0.28 -0.75 4.34 3.90 2ziuB1 ARG 543 HB2 0.00 0.47 0.65 -0.04 1.90 2.98 2ziuB1 ARG 543 HB3 0.00 -0.13 -0.13 -0.04 1.80 1.51 2ziuB1 ARG 543 HG2 0.00 0.22 -0.06 -0.04 1.67 1.80 2ziuB1 ARG 543 HG3 0.00 -0.06 0.13 -0.04 1.67 1.71 2ziuB1 ARG 543 HD2 0.00 -0.01 0.05 -0.04 3.22 3.22 2ziuB1 ARG 543 HD3 0.00 -0.07 -0.02 -0.04 3.22 3.09 2ziuB1 ARG 544 H 0.00 0.16 0.14 -0.55 8.46 8.21 2ziuB1 ARG 544 HA 0.01 0.25 1.04 -0.75 4.34 4.88 2ziuB1 ARG 544 HB2 0.01 0.09 -0.03 -0.04 1.90 1.93 2ziuB1 ARG 544 HB3 0.01 -0.08 -0.09 -0.04 1.80 1.60 2ziuB1 ARG 544 HG2 0.01 -0.08 0.02 -0.04 1.67 1.58 2ziuB1 ARG 544 HG3 0.01 0.04 -0.11 -0.04 1.67 1.56 2ziuB1 ARG 544 HD2 0.01 0.02 -0.01 -0.04 3.22 3.20 2ziuB1 ARG 544 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.13 2ziuB1 ILE 545 H 0.01 0.65 0.22 -0.55 8.25 8.59 2ziuB1 ILE 545 HA 0.01 -0.02 0.40 -0.75 4.18 3.81 2ziuB1 ILE 545 HB 0.02 0.16 0.20 -0.04 1.89 2.23 2ziuB1 ILE 545 HG12 0.01 0.19 0.04 -0.04 1.49 1.69 2ziuB1 ILE 545 HG13 0.02 -0.00 0.01 -0.04 1.21 1.20 2ziuB1 ILE 545 HG23 0.02 -0.03 -0.23 -0.04 0.93 0.65 2ziuB1 ILE 545 HD13 -0.00 -0.01 -0.02 -0.04 0.88 0.80 2ziuB1 GLY 546 H 0.02 0.68 0.16 -0.55 8.43 8.74 2ziuB1 GLY 546 HA2 0.01 0.04 0.33 -0.51 4.01 3.89 2ziuB1 GLY 546 HA3 0.01 0.18 0.87 -0.51 4.01 4.56 2ziuB1 PRO 547 HA 0.02 0.14 0.62 -0.51 4.44 4.72 2ziuB1 PRO 547 HB2 0.02 0.03 0.06 -0.04 2.28 2.34 2ziuB1 PRO 547 HB3 0.02 0.08 0.09 -0.04 2.02 2.16 2ziuB1 PRO 547 HG2 0.01 0.07 0.09 -0.04 2.03 2.16 2ziuB1 PRO 547 HG3 0.01 0.06 0.04 -0.04 2.03 2.10 2ziuB1 PRO 547 HD2 0.01 0.06 0.26 -0.04 3.68 3.98 2ziuB1 PRO 547 HD3 0.01 0.15 0.23 -0.04 3.65 4.00 2ziuB1 GLU 548 H 0.02 0.15 0.06 -0.55 8.60 8.28 2ziuB1 GLU 548 HA 0.02 0.10 0.41 -0.75 4.29 4.06 2ziuB1 GLU 548 HB2 0.01 -0.02 0.16 -0.04 2.09 2.20 2ziuB1 GLU 548 HB3 0.02 0.01 0.11 -0.04 1.99 2.08 2ziuB1 GLU 548 HG2 0.02 0.00 0.04 -0.04 2.34 2.36 2ziuB1 GLU 548 HG3 0.01 0.00 -0.00 -0.04 2.34 2.31 2ziuB1 LEU 549 H 0.02 0.15 -0.18 -0.55 8.37 7.82 2ziuB1 LEU 549 HA 0.02 0.09 0.36 -0.75 4.35 4.07 2ziuB1 LEU 549 HB2 0.02 0.08 0.05 -0.04 1.64 1.75 2ziuB1 LEU 549 HB3 0.02 0.02 -0.16 -0.04 1.64 1.48 2ziuB1 LEU 549 HG 0.01 0.08 -0.05 -0.04 1.64 1.63 2ziuB1 LEU 549 HD13 0.00 0.01 -0.07 -0.04 0.93 0.82 2ziuB1 LEU 549 HD23 0.01 -0.00 -0.07 -0.04 0.89 0.79 2ziuB1 SER 550 H 0.04 0.30 -0.35 -0.55 8.46 7.90 2ziuB1 SER 550 HA 0.08 -0.02 0.22 -0.75 4.49 4.01 2ziuB1 SER 550 HB2 0.05 0.04 -0.07 -0.04 3.95 3.93 2ziuB1 SER 550 HB3 0.05 0.16 0.17 -0.04 3.93 4.26 2ziuB1 ARG 551 H 0.05 0.30 -0.61 -0.55 8.46 7.65 2ziuB1 ARG 551 HA 0.11 0.04 0.59 -0.75 4.34 4.33 2ziuB1 ARG 551 HB2 0.04 0.22 0.21 -0.04 1.90 2.33 2ziuB1 ARG 551 HB3 0.04 0.07 0.19 -0.04 1.80 2.06 2ziuB1 ARG 551 HG2 0.08 -0.09 -0.01 -0.04 1.67 1.61 2ziuB1 ARG 551 HG3 0.06 -0.03 0.06 -0.04 1.67 1.72 2ziuB1 ARG 551 HD2 0.04 -0.07 -0.02 -0.04 3.22 3.13 2ziuB1 ARG 551 HD3 0.03 -0.03 0.00 -0.04 3.22 3.18 2ziuB1 ARG 552 H 0.04 0.56 0.16 -0.55 8.46 8.67 2ziuB1 ARG 552 HA 0.02 -0.04 0.45 -0.75 4.34 4.01 2ziuB1 ARG 552 HB2 0.03 0.07 0.17 -0.04 1.90 2.12 2ziuB1 ARG 552 HB3 0.02 -0.04 0.03 -0.04 1.80 1.77 2ziuB1 ARG 552 HG2 0.02 -0.09 0.01 -0.04 1.67 1.57 2ziuB1 ARG 552 HG3 0.02 0.19 0.08 -0.04 1.67 1.92 2ziuB1 ARG 552 HD2 0.02 -0.04 -0.03 -0.04 3.22 3.14 2ziuB1 ARG 552 HD3 0.02 0.03 -0.11 -0.04 3.22 3.12 2ziuB1 ILE 553 H 0.06 0.72 -0.17 -0.55 8.25 8.31 2ziuB1 ILE 553 HA 0.05 0.02 0.37 -0.75 4.18 3.87 2ziuB1 ILE 553 HB 0.11 0.09 -0.03 -0.04 1.89 2.02 2ziuB1 ILE 553 HG12 0.01 -0.00 -0.01 -0.04 1.49 1.45 2ziuB1 ILE 553 HG13 0.03 0.09 -0.03 -0.04 1.21 1.26 2ziuB1 ILE 553 HG23 0.12 -0.01 -0.14 -0.04 0.93 0.86 2ziuB1 ILE 553 HD13 -0.00 -0.02 -0.13 -0.04 0.88 0.69 2ziuB1 TYR 554 H 0.15 0.39 -0.39 -0.55 8.29 7.89 2ziuB1 TYR 554 HA -0.15 0.07 0.48 -0.75 4.56 4.20 2ziuB1 TYR 554 HB2 -0.15 0.05 0.02 -0.04 3.06 2.94 2ziuB1 TYR 554 HB3 -0.10 0.16 0.22 -0.04 2.98 3.23 2ziuB1 TYR 554 HD2 -1.21 0.05 -0.04 -0.04 7.15 5.91 2ziuB1 TYR 554 HE2 -0.30 0.00 -0.05 -0.04 6.85 6.46 2ziuB1 LEU 555 H -0.07 0.53 -0.01 -0.55 8.37 8.26 2ziuB1 LEU 555 HA -0.49 0.00 0.45 -0.75 4.35 3.56 2ziuB1 LEU 555 HB2 -0.06 0.09 0.18 -0.04 1.64 1.81 2ziuB1 LEU 555 HB3 -0.10 -0.06 0.00 -0.04 1.64 1.44 2ziuB1 LEU 555 HG -0.00 0.14 0.05 -0.04 1.64 1.79 2ziuB1 LEU 555 HD13 0.01 -0.02 -0.08 -0.04 0.93 0.80 2ziuB1 LEU 555 HD23 -0.13 -0.02 -0.02 -0.04 0.89 0.68 2ziuB1 GLN 556 H -0.06 0.63 -0.04 -0.55 8.47 8.45 2ziuB1 GLN 556 HA -0.04 0.05 0.42 -0.75 4.36 4.03 2ziuB1 GLN 556 HB2 0.00 -0.01 0.12 -0.04 2.15 2.22 2ziuB1 GLN 556 HB3 0.02 0.05 0.09 -0.04 2.02 2.14 2ziuB1 GLN 556 HG2 0.02 -0.00 0.05 -0.04 2.40 2.42 2ziuB1 GLN 556 HG3 0.03 -0.03 -0.00 -0.04 2.39 2.35 2ziuB1 GLN 556 HE21 0.08 -0.03 -0.09 -0.04 6.97 6.89 2ziuB1 GLN 556 HE22 0.05 -0.01 -0.04 -0.04 7.69 7.64 2ziuB1 MET 557 H -0.03 0.35 -0.33 -0.55 8.47 7.92 2ziuB1 MET 557 HA 0.05 0.06 0.47 -0.75 4.52 4.35 2ziuB1 MET 557 HB2 0.17 0.12 0.11 -0.04 2.15 2.50 2ziuB1 MET 557 HB3 0.19 -0.10 0.09 -0.04 2.03 2.17 2ziuB1 MET 557 HG2 0.16 0.10 0.07 -0.04 2.63 2.93 2ziuB1 MET 557 HG3 0.30 -0.08 0.01 -0.04 2.56 2.75 2ziuB1 MET 557 HE3 0.26 -0.03 0.03 -0.04 2.10 2.33 2ziuB1 THR 558 H -0.22 0.15 -0.68 -0.55 8.28 6.98 2ziuB1 THR 558 HA -0.11 0.17 1.03 -0.75 4.39 4.73 2ziuB1 THR 558 HB -0.86 0.31 0.13 -0.04 4.32 3.87 2ziuB1 THR 558 HG23 -0.27 -0.06 -0.17 -0.04 1.22 0.68 2ziuB1 THR 559 H -0.19 0.76 0.22 -0.55 8.28 8.52 2ziuB1 THR 559 HA -0.11 0.02 0.53 -0.75 4.39 4.07 2ziuB1 THR 559 HB -0.13 -0.01 0.15 -0.04 4.32 4.29 2ziuB1 THR 559 HG23 -0.08 0.12 -0.02 -0.04 1.22 1.20 2ziuB1 LEU 560 H -0.06 0.09 0.16 -0.55 8.37 8.02 2ziuB1 LEU 560 HA -0.05 0.24 0.71 -0.75 4.35 4.49 2ziuB1 LEU 560 HB2 -0.05 -0.05 0.09 -0.04 1.64 1.59 2ziuB1 LEU 560 HB3 -0.05 -0.02 0.19 -0.04 1.64 1.72 2ziuB1 LEU 560 HG -0.04 0.08 -0.02 -0.04 1.64 1.62 2ziuB1 LEU 560 HD13 -0.03 -0.02 0.02 -0.04 0.93 0.86 2ziuB1 LEU 560 HD23 -0.03 0.02 -0.03 -0.04 0.89 0.81 2ziuB1 GLN 561 H -0.06 0.08 -0.30 -0.55 8.47 7.64 2ziuB1 GLN 561 HA -0.09 0.22 0.85 -0.75 4.36 4.58 2ziuB1 GLN 561 HB2 -0.05 -0.00 0.17 -0.04 2.15 2.23 2ziuB1 GLN 561 HB3 -0.05 -0.02 0.05 -0.04 2.02 1.96 2ziuB1 GLN 561 HG2 -0.05 0.09 -0.14 -0.04 2.40 2.27 2ziuB1 GLN 561 HG3 -0.05 -0.12 -0.01 -0.04 2.39 2.17 2ziuB1 GLN 561 HE21 -0.02 0.00 -0.01 -0.04 6.97 6.90 2ziuB1 GLN 561 HE22 -0.03 0.03 -0.03 -0.04 7.69 7.62 2ziuB1 PRO 562 HA -0.07 0.16 0.34 -0.51 4.44 4.36 2ziuB1 PRO 562 HB2 -0.24 0.02 -0.01 -0.04 2.28 2.01 2ziuB1 PRO 562 HB3 -0.14 0.07 0.06 -0.04 2.02 1.96 2ziuB1 PRO 562 HG2 -0.74 -0.04 0.03 -0.04 2.03 1.23 2ziuB1 PRO 562 HG3 -0.32 0.05 0.05 -0.04 2.03 1.77 2ziuB1 PRO 562 HD2 -0.19 0.03 0.27 -0.04 3.68 3.75 2ziuB1 PRO 562 HD3 -0.14 0.35 0.11 -0.04 3.65 3.93 2ziuB1 HIS 563 H -0.15 0.03 -0.35 -0.55 8.41 7.40 2ziuB1 HIS 563 HA -0.04 0.25 0.76 -0.75 4.63 4.84 2ziuB1 HIS 563 HB2 -0.04 -0.03 -0.01 -0.04 3.26 3.14 2ziuB1 HIS 563 HB3 -0.04 -0.01 0.09 -0.04 3.20 3.20 2ziuB1 HIS 563 HD2 -0.12 0.15 -0.26 -0.04 6.97 6.70 2ziuB1 HIS 563 HE1 -0.07 -0.00 -0.02 -0.04 7.75 7.61 2ziuB1 LEU 564 H 0.00 0.36 -0.30 -0.55 8.37 7.89 2ziuB1 LEU 564 HA 0.02 -0.05 0.37 -0.75 4.35 3.93 2ziuB1 LEU 564 HB2 -0.02 -0.06 0.09 -0.04 1.64 1.61 2ziuB1 LEU 564 HB3 -0.02 0.13 0.07 -0.04 1.64 1.77 2ziuB1 LEU 564 HG -0.01 -0.01 -0.37 -0.04 1.64 1.21 2ziuB1 LEU 564 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.84 2ziuB1 LEU 564 HD23 -0.05 -0.01 -0.05 -0.04 0.89 0.74 2ziuB1 SER 565 H 0.01 0.09 0.14 -0.55 8.46 8.15 2ziuB1 SER 565 HA 0.02 0.18 0.78 -0.75 4.49 4.72 2ziuB1 SER 565 HB2 0.01 -0.07 0.17 -0.04 3.95 4.01 2ziuB1 SER 565 HB3 0.01 0.03 -0.02 -0.04 3.93 3.91 2ziuB1 LEU 566 H 0.01 0.24 0.07 -0.55 8.37 8.15 2ziuB1 LEU 566 HA 0.00 -0.03 0.33 -0.75 4.35 3.90 2ziuB1 LEU 566 HB2 0.02 -0.02 0.19 -0.04 1.64 1.79 2ziuB1 LEU 566 HB3 0.01 -0.00 0.09 -0.04 1.64 1.70 2ziuB1 LEU 566 HG 0.02 0.05 0.13 -0.04 1.64 1.79 2ziuB1 LEU 566 HD13 0.02 0.00 0.05 -0.04 0.93 0.96 2ziuB1 LEU 566 HD23 -0.01 0.01 0.00 -0.04 0.89 0.85 2ziuB1 ASP 567 H 0.01 0.08 0.18 -0.55 8.40 8.12 2ziuB1 ASP 567 HA 0.01 0.18 0.90 -0.75 4.63 4.96 2ziuB1 ASP 567 HB2 0.01 0.09 0.14 -0.04 2.71 2.91 2ziuB1 ASP 567 HB3 0.01 -0.46 0.25 -0.04 2.70 2.46 2ziuB1 SER 568 H 0.01 0.09 0.06 -0.55 8.46 8.08 2ziuB1 SER 568 HA 0.01 0.22 0.59 -0.75 4.49 4.56 2ziuB1 SER 568 HB2 0.01 0.01 0.10 -0.04 3.95 4.03 2ziuB1 SER 568 HB3 0.01 0.02 0.07 -0.04 3.93 3.99