============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 1 0.840 2.900 -19.656 -27.683 -99.200 -91.000 PHE 15 1.000 5.797 -17.544 -36.918 -99.200 -91.000 TRP 22 1.040 7.846 -15.424 -28.073 -99.200 -91.000 TRP6 22 1.020 6.058 -14.406 -26.874 -99.200 -91.000 TYR 23 0.840 13.149 -17.156 -31.263 -99.200 -91.000 HIS 30 0.900 3.060 -24.790 -27.835 -99.200 -91.000 TYR 35 0.840 6.225 -31.928 -35.590 -99.200 -91.000 HIS 69 0.900 30.627 -20.684 -35.165 -99.200 -91.000 PHE 72 1.000 17.657 -13.556 -32.251 -99.200 -91.000 TYR 73 0.840 19.992 -10.825 -28.219 -99.200 -91.000 PHE 79 1.000 18.180 -11.060 -40.819 -99.200 -91.000 TYR 91 0.840 20.194 -11.011 -45.731 -99.200 -91.000 PHE 93 1.000 22.361 -15.308 -42.834 -99.200 -91.000 PHE 97 1.000 23.417 -22.046 -41.005 -99.200 -91.000 PHE 103 1.000 22.044 -15.160 -26.465 -99.200 -91.000 PHE 112 1.000 16.380 -24.759 -40.068 -99.200 -91.000 PHE 114 1.000 13.224 -13.517 -42.008 -99.200 -91.000 TYR 118 0.840 10.511 -13.190 -47.832 -99.200 -91.000 HIS 121 0.900 13.493 -14.443 -54.477 -99.200 -91.000 PHE 122 1.000 17.180 -16.333 -45.090 -99.200 -91.000 HIS 123 0.900 19.225 -18.661 -52.060 -99.200 -91.000 HIS 129 0.900 31.244 -25.981 -34.815 -99.200 -91.000 TYR 138 0.840 33.659 -27.874 -30.320 -99.200 -91.000 PHE 140 1.000 21.207 -26.584 -32.432 -99.200 -91.000 TYR 148 0.840 11.900 -25.772 -28.467 -99.200 -91.000 TYR 153 0.840 20.925 -32.830 -31.393 -99.200 -91.000 PHE 156 1.000 16.340 -27.385 -34.179 -99.200 -91.000 PHE 160 1.000 21.296 -28.399 -37.843 -99.200 -91.000 TRP 162 1.040 16.845 -34.294 -46.127 -99.200 -91.000 TRP6 162 1.020 17.245 -35.335 -48.211 -99.200 -91.000 HIS 177 0.900 31.918 -23.227 -42.433 -99.200 -91.000 PHE 181 1.000 36.307 -30.285 -53.506 -99.200 -91.000 TRP 211 1.040 35.406 -30.845 -41.098 -99.200 -91.000 TRP6 211 1.020 36.079 -30.106 -38.950 -99.200 -91.000 PHE 231 1.000 42.075 -24.435 -50.300 -99.200 -91.000 PHE 239 1.000 37.027 -26.355 -57.605 -99.200 -91.000 TYR 247 0.840 34.931 -13.966 -56.231 -99.200 -91.000 HIS 252 0.900 36.399 -24.610 -41.454 -99.200 -91.000 TYR 259 0.840 38.072 -7.494 -45.777 -99.200 -91.000 HIS 263 0.900 45.098 -19.741 -51.994 -99.200 -91.000 PHE 271 1.000 34.418 -15.768 -37.867 -99.200 -91.000 TYR 276 0.840 34.468 -17.659 -32.343 -99.200 -91.000 TYR 286 0.840 26.572 -6.790 -44.322 -99.200 -91.000 HIS 288 0.900 25.515 -5.226 -50.029 -99.200 -91.000 PHE 298 1.000 35.697 -8.451 -49.019 -99.200 -91.000 HIS 299 0.900 28.855 -3.353 -47.951 -99.200 -91.000 PHE 301 1.000 28.454 -7.549 -38.868 -99.200 -91.000 HIS 306 0.900 26.153 -11.303 -25.542 -99.200 -91.000 TYR 314 0.840 22.118 -23.066 -23.018 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h67A1 TYR 176 HA 0.14 -0.08 0.25 -0.75 4.56 4.11 3h67A1 TYR 176 HB2 0.21 -0.00 0.08 -0.04 3.06 3.30 3h67A1 TYR 176 HB3 0.05 0.01 0.08 -0.04 2.98 3.08 3h67A1 TYR 176 HD2 0.10 0.07 -0.04 -0.04 7.15 7.24 3h67A1 TYR 176 HE2 0.10 0.24 -0.09 -0.04 6.85 7.06 3h67A1 SER 177 H -0.22 0.09 0.08 -0.55 8.46 7.86 3h67A1 SER 177 HA -0.21 0.26 0.92 -0.75 4.49 4.70 3h67A1 SER 177 HB2 -0.06 -0.00 0.17 -0.04 3.95 4.02 3h67A1 SER 177 HB3 -0.02 0.03 -0.06 -0.04 3.93 3.84 3h67A1 GLY 178 H -2.06 0.01 -0.16 -0.55 8.43 5.67 3h67A1 GLY 178 HA2 -2.10 0.15 0.44 -0.51 4.01 1.99 3h67A1 GLY 178 HA3 -1.84 0.00 0.30 -0.51 4.01 1.95 3h67A1 PRO 179 HA -0.33 0.06 0.37 -0.51 4.44 4.03 3h67A1 PRO 179 HB2 -0.46 -0.04 -0.06 -0.04 2.28 1.67 3h67A1 PRO 179 HB3 -0.76 0.06 0.00 -0.04 2.02 1.28 3h67A1 PRO 179 HG2 -0.72 0.01 -0.06 -0.04 2.03 1.22 3h67A1 PRO 179 HG3 -0.67 0.11 -0.19 -0.04 2.03 1.23 3h67A1 PRO 179 HD2 -1.21 0.03 0.11 -0.04 3.68 2.57 3h67A1 PRO 179 HD3 -2.78 0.16 0.14 -0.04 3.65 1.13 3h67A1 LYS 180 H 0.04 0.19 0.16 -0.55 8.42 8.26 3h67A1 LYS 180 HA 0.15 0.09 0.83 -0.75 4.32 4.63 3h67A1 LYS 180 HB2 0.01 0.00 0.04 -0.04 1.87 1.88 3h67A1 LYS 180 HB3 0.01 0.03 0.03 -0.04 1.79 1.81 3h67A1 LYS 180 HG2 0.12 0.16 -0.56 -0.04 1.46 1.13 3h67A1 LYS 180 HG3 0.04 0.04 -0.09 -0.04 1.46 1.40 3h67A1 LYS 180 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.63 3h67A1 LYS 180 HD3 0.05 -0.09 0.08 -0.04 1.68 1.69 3h67A1 LYS 180 HE2 0.93 0.04 -0.14 -0.04 2.99 3.77 3h67A1 LYS 180 HE3 0.26 0.09 -0.07 -0.04 2.99 3.23 3h67A1 LEU 181 H -0.08 0.08 0.05 -0.55 8.37 7.88 3h67A1 LEU 181 HA -0.38 0.09 0.40 -0.75 4.35 3.71 3h67A1 LEU 181 HB2 -0.18 -0.06 -0.06 -0.04 1.64 1.30 3h67A1 LEU 181 HB3 -0.28 0.06 -0.31 -0.04 1.64 1.07 3h67A1 LEU 181 HG -0.36 -0.08 -0.07 -0.04 1.64 1.09 3h67A1 LEU 181 HD13 -0.21 0.05 -0.17 -0.04 0.93 0.57 3h67A1 LEU 181 HD23 -1.17 -0.00 -0.30 -0.04 0.89 -0.62 3h67A1 GLU 182 H -0.15 0.53 0.20 -0.55 8.60 8.64 3h67A1 GLU 182 HA -0.06 0.17 1.01 -0.75 4.29 4.66 3h67A1 GLU 182 HB2 -0.07 0.05 0.14 -0.04 2.09 2.17 3h67A1 GLU 182 HB3 -0.05 0.02 0.00 -0.04 1.99 1.93 3h67A1 GLU 182 HG2 -0.02 0.06 -0.05 -0.04 2.34 2.28 3h67A1 GLU 182 HG3 -0.02 0.01 -0.05 -0.04 2.34 2.23 3h67A1 ASP 183 H -0.05 0.19 0.11 -0.55 8.40 8.10 3h67A1 ASP 183 HA -0.05 0.04 0.29 -0.75 4.63 4.16 3h67A1 ASP 183 HB2 -0.06 0.19 0.17 -0.04 2.71 2.98 3h67A1 ASP 183 HB3 -0.05 0.02 0.20 -0.04 2.70 2.83 3h67A1 GLY 184 H -0.09 0.08 -0.46 -0.55 8.43 7.42 3h67A1 GLY 184 HA2 -0.11 -0.06 0.14 -0.51 4.01 3.48 3h67A1 GLY 184 HA3 -0.08 0.09 0.20 -0.51 4.01 3.71 3h67A1 LYS 185 H -0.14 0.30 -0.53 -0.55 8.42 7.49 3h67A1 LYS 185 HA -0.18 0.17 0.82 -0.75 4.32 4.37 3h67A1 LYS 185 HB2 -0.12 0.04 0.04 -0.04 1.87 1.80 3h67A1 LYS 185 HB3 -0.10 0.10 -0.08 -0.04 1.79 1.66 3h67A1 LYS 185 HG2 -0.15 0.16 -0.33 -0.04 1.46 1.11 3h67A1 LYS 185 HG3 -0.11 0.01 0.01 -0.04 1.46 1.33 3h67A1 LYS 185 HD2 -0.08 -0.03 -0.03 -0.04 1.69 1.51 3h67A1 LYS 185 HD3 -0.10 0.01 -0.09 -0.04 1.68 1.46 3h67A1 LYS 185 HE2 -0.07 -0.19 -0.07 -0.04 2.99 2.62 3h67A1 LYS 185 HE3 -0.11 0.67 -0.07 -0.04 2.99 3.44 3h67A1 VAL 186 H -0.23 0.20 0.08 -0.55 8.24 7.75 3h67A1 VAL 186 HA -0.48 -0.05 0.54 -0.75 4.13 3.39 3h67A1 VAL 186 HB -0.19 0.10 -0.00 -0.04 2.12 1.99 3h67A1 VAL 186 HG13 -0.11 0.01 -0.16 -0.04 0.97 0.66 3h67A1 VAL 186 HG23 -0.33 0.00 -0.01 -0.04 0.95 0.58 3h67A1 THR 187 H -0.05 0.09 0.25 -0.55 8.28 8.03 3h67A1 THR 187 HA -0.09 0.34 0.86 -0.75 4.39 4.74 3h67A1 THR 187 HB -0.03 -0.04 0.16 -0.04 4.32 4.37 3h67A1 THR 187 HG23 -0.07 0.08 -0.12 -0.04 1.22 1.07 3h67A1 ILE 188 H -0.03 0.25 0.16 -0.55 8.25 8.08 3h67A1 ILE 188 HA 0.00 0.13 0.42 -0.75 4.18 3.98 3h67A1 ILE 188 HB 0.06 0.10 0.11 -0.04 1.89 2.12 3h67A1 ILE 188 HG12 0.14 0.03 0.06 -0.04 1.49 1.68 3h67A1 ILE 188 HG13 0.11 0.07 0.01 -0.04 1.21 1.36 3h67A1 ILE 188 HG23 0.02 0.01 0.05 -0.04 0.93 0.97 3h67A1 ILE 188 HD13 0.04 -0.02 -0.22 -0.04 0.88 0.65 3h67A1 SER 189 H 0.00 0.09 -0.12 -0.55 8.46 7.90 3h67A1 SER 189 HA -0.01 0.13 0.52 -0.75 4.49 4.38 3h67A1 SER 189 HB2 -0.01 0.06 0.07 -0.04 3.95 4.04 3h67A1 SER 189 HB3 -0.00 0.03 0.09 -0.04 3.93 4.01 3h67A1 PHE 190 H 0.10 0.04 -0.24 -0.55 8.34 7.69 3h67A1 PHE 190 HA -0.12 0.07 0.49 -0.75 4.62 4.31 3h67A1 PHE 190 HB2 -0.11 0.09 0.09 -0.04 3.15 3.19 3h67A1 PHE 190 HB3 -0.13 -0.08 0.19 -0.04 3.06 3.00 3h67A1 PHE 190 HD2 -0.16 0.12 -0.30 -0.04 7.28 6.90 3h67A1 PHE 190 HE2 -0.12 0.05 -0.32 -0.04 7.38 6.95 3h67A1 PHE 190 HZ -0.09 0.00 -0.18 -0.04 7.32 7.01 3h67A1 MET 191 H 0.01 0.48 -0.11 -0.55 8.47 8.30 3h67A1 MET 191 HA -0.32 0.00 0.38 -0.75 4.52 3.83 3h67A1 MET 191 HB2 -0.15 0.09 0.11 -0.04 2.15 2.15 3h67A1 MET 191 HB3 -0.61 0.02 -0.01 -0.04 2.03 1.39 3h67A1 MET 191 HG2 -0.15 0.07 -0.05 -0.04 2.63 2.46 3h67A1 MET 191 HG3 -0.71 0.06 -0.14 -0.04 2.56 1.73 3h67A1 MET 191 HE3 -0.99 0.03 0.04 -0.04 2.10 1.13 3h67A1 LYS 192 H -0.08 0.43 -0.25 -0.55 8.42 7.97 3h67A1 LYS 192 HA -0.01 0.06 0.43 -0.75 4.32 4.04 3h67A1 LYS 192 HB2 -0.03 0.08 0.17 -0.04 1.87 2.05 3h67A1 LYS 192 HB3 -0.01 -0.02 0.00 -0.04 1.79 1.72 3h67A1 LYS 192 HG2 0.03 -0.00 0.02 -0.04 1.46 1.47 3h67A1 LYS 192 HG3 0.03 0.02 0.02 -0.04 1.46 1.50 3h67A1 LYS 192 HD2 0.02 -0.03 -0.06 -0.04 1.69 1.57 3h67A1 LYS 192 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.63 3h67A1 LYS 192 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 3h67A1 LYS 192 HE3 0.05 0.01 -0.03 -0.04 2.99 2.98 3h67A1 GLU 193 H -0.16 0.46 -0.11 -0.55 8.60 8.24 3h67A1 GLU 193 HA -0.08 0.04 0.43 -0.75 4.29 3.92 3h67A1 GLU 193 HB2 -0.34 0.06 0.19 -0.04 2.09 1.95 3h67A1 GLU 193 HB3 -0.27 -0.05 0.04 -0.04 1.99 1.67 3h67A1 GLU 193 HG2 -0.09 -0.02 0.03 -0.04 2.34 2.22 3h67A1 GLU 193 HG3 -0.10 0.26 0.10 -0.04 2.34 2.56 3h67A1 LEU 194 H -0.47 0.58 -0.20 -0.55 8.37 7.73 3h67A1 LEU 194 HA -0.40 -0.03 0.37 -0.75 4.35 3.54 3h67A1 LEU 194 HB2 -0.91 0.01 0.04 -0.04 1.64 0.75 3h67A1 LEU 194 HB3 -0.41 0.13 0.11 -0.04 1.64 1.43 3h67A1 LEU 194 HG -0.58 -0.01 -0.26 -0.04 1.64 0.75 3h67A1 LEU 194 HD13 -0.59 -0.02 -0.06 -0.04 0.93 0.22 3h67A1 LEU 194 HD23 -0.07 -0.01 -0.15 -0.04 0.89 0.62 3h67A1 MET 195 H -0.08 0.58 -0.06 -0.55 8.47 8.36 3h67A1 MET 195 HA 0.31 -0.02 0.44 -0.75 4.52 4.51 3h67A1 MET 195 HB2 0.10 0.10 0.11 -0.04 2.15 2.41 3h67A1 MET 195 HB3 0.19 -0.03 0.04 -0.04 2.03 2.18 3h67A1 MET 195 HG2 0.30 -0.07 0.01 -0.04 2.63 2.83 3h67A1 MET 195 HG3 0.05 0.14 0.10 -0.04 2.56 2.80 3h67A1 MET 195 HE3 0.12 0.03 -0.11 -0.04 2.10 2.10 3h67A1 GLN 196 H 0.05 0.42 -0.27 -0.55 8.47 8.13 3h67A1 GLN 196 HA 0.13 0.04 0.45 -0.75 4.36 4.23 3h67A1 GLN 196 HB2 0.07 0.02 0.08 -0.04 2.15 2.28 3h67A1 GLN 196 HB3 0.09 0.11 0.12 -0.04 2.02 2.29 3h67A1 GLN 196 HG2 0.09 -0.01 -0.05 -0.04 2.40 2.38 3h67A1 GLN 196 HG3 0.11 -0.01 -0.29 -0.04 2.39 2.16 3h67A1 GLN 196 HE21 0.07 0.01 -0.02 -0.04 6.97 6.99 3h67A1 GLN 196 HE22 0.07 -0.01 -0.02 -0.04 7.69 7.68 3h67A1 TRP 197 H 0.21 0.59 -0.01 -0.55 7.97 8.21 3h67A1 TRP 197 HA -0.02 0.01 0.45 -0.75 4.62 4.31 3h67A1 TRP 197 HB2 -0.17 0.17 0.13 -0.04 3.23 3.32 3h67A1 TRP 197 HB3 -0.31 0.06 0.07 -0.04 3.23 3.01 3h67A1 TRP 197 HD1 -0.07 -0.01 -0.49 -0.04 7.22 6.61 3h67A1 TRP 197 HE1 0.17 0.37 -0.22 -0.04 10.20 10.47 3h67A1 TRP 197 HE3 -0.07 0.04 -0.00 -0.04 7.59 7.52 3h67A1 TRP 197 HZ2 -0.05 -0.02 -0.01 -0.04 7.44 7.32 3h67A1 TRP 197 HZ3 -0.08 0.05 -0.05 -0.04 7.13 7.00 3h67A1 TRP 197 HH2 -0.15 -0.03 -0.18 -0.04 7.19 6.80 3h67A1 TYR 198 H 0.14 0.66 -0.16 -0.55 8.29 8.38 3h67A1 TYR 198 HA -0.08 0.12 0.51 -0.75 4.56 4.36 3h67A1 TYR 198 HB2 -0.03 0.14 0.12 -0.04 3.06 3.25 3h67A1 TYR 198 HB3 -0.86 -0.10 -0.06 -0.04 2.98 1.92 3h67A1 TYR 198 HD2 -0.08 0.17 -0.05 -0.04 7.15 7.16 3h67A1 TYR 198 HE2 0.10 -0.11 -0.01 -0.04 6.85 6.79 3h67A1 LYS 199 H 0.28 0.59 -0.09 -0.55 8.42 8.64 3h67A1 LYS 199 HA 0.28 -0.04 0.47 -0.75 4.32 4.27 3h67A1 LYS 199 HB2 0.20 0.04 0.16 -0.04 1.87 2.24 3h67A1 LYS 199 HB3 0.17 0.11 0.21 -0.04 1.79 2.23 3h67A1 LYS 199 HG2 0.18 0.00 -0.13 -0.04 1.46 1.48 3h67A1 LYS 199 HG3 0.35 -0.05 0.08 -0.04 1.46 1.79 3h67A1 LYS 199 HD2 0.10 -0.02 0.00 -0.04 1.69 1.73 3h67A1 LYS 199 HD3 0.11 -0.01 -0.01 -0.04 1.68 1.73 3h67A1 LYS 199 HE2 0.10 -0.01 -0.03 -0.04 2.99 3.01 3h67A1 LYS 199 HE3 0.16 -0.00 -0.01 -0.04 2.99 3.10 3h67A1 ASP 200 H 0.09 0.44 -0.38 -0.55 8.40 8.00 3h67A1 ASP 200 HA 0.05 0.05 0.36 -0.75 4.63 4.34 3h67A1 ASP 200 HB2 -0.11 0.10 0.11 -0.04 2.71 2.77 3h67A1 ASP 200 HB3 -0.10 -0.06 0.14 -0.04 2.70 2.63 3h67A1 GLN 201 H 0.09 0.47 -0.69 -0.55 8.47 7.78 3h67A1 GLN 201 HA 0.07 0.03 0.32 -0.75 4.36 4.02 3h67A1 GLN 201 HB2 0.02 0.17 -0.15 -0.04 2.15 2.15 3h67A1 GLN 201 HB3 0.05 -0.08 0.21 -0.04 2.02 2.16 3h67A1 GLN 201 HG2 0.21 -0.01 0.05 -0.04 2.40 2.60 3h67A1 GLN 201 HG3 0.13 0.09 -0.09 -0.04 2.39 2.46 3h67A1 GLN 201 HE21 0.07 -0.07 -0.00 -0.04 6.97 6.92 3h67A1 GLN 201 HE22 0.05 0.06 -0.03 -0.04 7.69 7.73 3h67A1 LYS 202 H -0.17 0.45 -0.07 -0.55 8.42 8.07 3h67A1 LYS 202 HA -0.21 0.17 0.83 -0.75 4.32 4.36 3h67A1 LYS 202 HB2 -1.66 0.03 -0.06 -0.04 1.87 0.14 3h67A1 LYS 202 HB3 -1.20 -0.11 0.05 -0.04 1.79 0.49 3h67A1 LYS 202 HG2 -0.55 -0.01 -0.05 -0.04 1.46 0.81 3h67A1 LYS 202 HG3 -0.49 0.15 -0.28 -0.04 1.46 0.80 3h67A1 LYS 202 HD2 -1.40 -0.01 0.00 -0.04 1.69 0.24 3h67A1 LYS 202 HD3 -2.08 -0.07 -0.02 -0.04 1.68 -0.54 3h67A1 LYS 202 HE2 -0.38 -0.02 -0.02 -0.04 2.99 2.53 3h67A1 LYS 202 HE3 -0.34 0.09 -0.02 -0.04 2.99 2.69 3h67A1 LYS 203 H 0.12 0.17 0.11 -0.55 8.42 8.27 3h67A1 LYS 203 HA 0.34 0.11 0.65 -0.75 4.32 4.66 3h67A1 LYS 203 HB2 0.04 0.06 -0.04 -0.04 1.87 1.88 3h67A1 LYS 203 HB3 0.16 -0.04 0.04 -0.04 1.79 1.92 3h67A1 LYS 203 HG2 0.06 0.05 -0.22 -0.04 1.46 1.31 3h67A1 LYS 203 HG3 0.00 -0.09 -0.02 -0.04 1.46 1.31 3h67A1 LYS 203 HD2 -0.70 0.12 0.01 -0.04 1.69 1.08 3h67A1 LYS 203 HD3 -0.22 -0.05 0.01 -0.04 1.68 1.38 3h67A1 LYS 203 HE2 -0.03 -0.07 0.02 -0.04 2.99 2.86 3h67A1 LYS 203 HE3 -0.10 -0.09 0.03 -0.04 2.99 2.79 3h67A1 LEU 204 H 0.56 0.13 0.08 -0.55 8.37 8.59 3h67A1 LEU 204 HA 0.36 0.08 0.54 -0.75 4.35 4.58 3h67A1 LEU 204 HB2 0.21 0.04 0.03 -0.04 1.64 1.87 3h67A1 LEU 204 HB3 0.40 -0.03 0.02 -0.04 1.64 2.00 3h67A1 LEU 204 HG 0.19 0.04 -0.18 -0.04 1.64 1.65 3h67A1 LEU 204 HD13 0.10 -0.00 -0.02 -0.04 0.93 0.96 3h67A1 LEU 204 HD23 0.23 -0.00 -0.17 -0.04 0.89 0.90 3h67A1 HIS 205 H 0.12 0.17 0.16 -0.55 8.41 8.31 3h67A1 HIS 205 HA -0.08 0.13 0.37 -0.75 4.63 4.29 3h67A1 HIS 205 HB2 -1.72 0.13 0.14 -0.04 3.26 1.78 3h67A1 HIS 205 HB3 -0.44 -0.10 0.12 -0.04 3.20 2.73 3h67A1 HIS 205 HD2 -0.47 0.09 0.06 -0.04 6.97 6.61 3h67A1 HIS 205 HE1 -0.07 0.06 0.02 -0.04 7.75 7.71 3h67A1 ARG 206 H -0.35 0.23 0.20 -0.55 8.46 7.99 3h67A1 ARG 206 HA -0.02 0.09 0.34 -0.75 4.34 4.00 3h67A1 ARG 206 HB2 -0.02 -0.02 0.09 -0.04 1.90 1.90 3h67A1 ARG 206 HB3 0.10 0.12 0.16 -0.04 1.80 2.15 3h67A1 ARG 206 HG2 -0.42 -0.08 0.11 -0.04 1.67 1.24 3h67A1 ARG 206 HG3 -0.03 0.01 -0.13 -0.04 1.67 1.47 3h67A1 ARG 206 HD2 -0.03 -0.02 -0.01 -0.04 3.22 3.13 3h67A1 ARG 206 HD3 -0.06 0.07 0.04 -0.04 3.22 3.24 3h67A1 LYS 207 H 0.67 0.09 -0.33 -0.55 8.42 8.29 3h67A1 LYS 207 HA 0.05 0.11 0.42 -0.75 4.32 4.15 3h67A1 LYS 207 HB2 -0.02 0.00 0.02 -0.04 1.87 1.83 3h67A1 LYS 207 HB3 -0.01 0.05 -0.01 -0.04 1.79 1.79 3h67A1 LYS 207 HG2 0.02 0.02 -0.02 -0.04 1.46 1.44 3h67A1 LYS 207 HG3 0.29 -0.04 0.01 -0.04 1.46 1.68 3h67A1 LYS 207 HD2 -0.10 0.03 -0.00 -0.04 1.69 1.58 3h67A1 LYS 207 HD3 -0.06 0.02 -0.01 -0.04 1.68 1.59 3h67A1 LYS 207 HE2 -0.04 0.01 -0.01 -0.04 2.99 2.91 3h67A1 LYS 207 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.95 3h67A1 CYS 208 H 0.09 0.19 -0.17 -0.55 8.50 8.07 3h67A1 CYS 208 HA -0.01 0.07 0.52 -0.75 4.58 4.41 3h67A1 CYS 208 HB2 0.11 0.10 0.06 -0.04 2.97 3.21 3h67A1 CYS 208 HB3 0.10 -0.01 -0.04 -0.04 2.97 2.99 3h67A1 ALA 209 H 0.06 0.49 -0.21 -0.55 8.40 8.19 3h67A1 ALA 209 HA 0.04 0.04 0.31 -0.75 4.34 3.98 3h67A1 ALA 209 HB3 -0.12 0.02 -0.01 -0.04 1.41 1.25 3h67A1 TYR 210 H 0.05 0.61 -0.15 -0.55 8.29 8.25 3h67A1 TYR 210 HA -0.16 -0.01 0.51 -0.75 4.56 4.13 3h67A1 TYR 210 HB2 -0.11 0.01 0.13 -0.04 3.06 3.05 3h67A1 TYR 210 HB3 -0.07 0.13 0.15 -0.04 2.98 3.15 3h67A1 TYR 210 HD2 -0.09 0.01 -0.07 -0.04 7.15 6.96 3h67A1 TYR 210 HE2 -0.06 0.01 -0.05 -0.04 6.85 6.71 3h67A1 GLN 211 H 0.06 0.44 -0.21 -0.55 8.47 8.21 3h67A1 GLN 211 HA -0.15 0.00 0.34 -0.75 4.36 3.80 3h67A1 GLN 211 HB2 -0.07 0.04 0.15 -0.04 2.15 2.23 3h67A1 GLN 211 HB3 -0.10 0.04 0.03 -0.04 2.02 1.95 3h67A1 GLN 211 HG2 0.02 -0.01 0.04 -0.04 2.40 2.40 3h67A1 GLN 211 HG3 0.10 0.11 0.10 -0.04 2.39 2.66 3h67A1 GLN 211 HE21 -0.06 -0.08 -0.02 -0.04 6.97 6.77 3h67A1 GLN 211 HE22 -0.03 0.04 0.00 -0.04 7.69 7.66 3h67A1 ILE 212 H -0.09 0.52 -0.24 -0.55 8.25 7.89 3h67A1 ILE 212 HA -0.12 0.02 0.36 -0.75 4.18 3.68 3h67A1 ILE 212 HB -0.00 0.10 0.14 -0.04 1.89 2.08 3h67A1 ILE 212 HG12 -0.10 -0.04 -0.05 -0.04 1.49 1.27 3h67A1 ILE 212 HG13 -0.09 0.11 -0.01 -0.04 1.21 1.18 3h67A1 ILE 212 HG23 0.08 -0.00 -0.22 -0.04 0.93 0.75 3h67A1 ILE 212 HD13 0.15 -0.02 -0.10 -0.04 0.88 0.86 3h67A1 LEU 213 H -0.19 0.60 -0.08 -0.55 8.37 8.15 3h67A1 LEU 213 HA -0.22 0.01 0.32 -0.75 4.35 3.71 3h67A1 LEU 213 HB2 -0.34 0.05 0.13 -0.04 1.64 1.44 3h67A1 LEU 213 HB3 -0.31 -0.02 -0.07 -0.04 1.64 1.20 3h67A1 LEU 213 HG -0.24 0.08 0.00 -0.04 1.64 1.44 3h67A1 LEU 213 HD13 -0.90 -0.04 -0.10 -0.04 0.93 -0.15 3h67A1 LEU 213 HD23 -0.17 -0.01 -0.08 -0.04 0.89 0.58 3h67A1 VAL 214 H -0.45 0.62 0.00 -0.55 8.24 7.86 3h67A1 VAL 214 HA -0.26 0.03 0.52 -0.75 4.13 3.67 3h67A1 VAL 214 HB -0.25 -0.02 0.05 -0.04 2.12 1.86 3h67A1 VAL 214 HG13 -0.76 0.02 0.02 -0.04 0.97 0.21 3h67A1 VAL 214 HG23 -0.31 0.04 0.03 -0.04 0.95 0.67 3h67A1 GLN 215 H -0.21 0.62 -0.11 -0.55 8.47 8.22 3h67A1 GLN 215 HA -0.15 0.01 0.49 -0.75 4.36 3.96 3h67A1 GLN 215 HB2 -0.15 0.11 0.19 -0.04 2.15 2.26 3h67A1 GLN 215 HB3 -0.13 -0.04 0.06 -0.04 2.02 1.87 3h67A1 GLN 215 HG2 -0.12 -0.06 0.06 -0.04 2.40 2.24 3h67A1 GLN 215 HG3 -0.14 0.09 0.12 -0.04 2.39 2.41 3h67A1 GLN 215 HE21 -0.14 0.30 0.12 -0.04 6.97 7.21 3h67A1 GLN 215 HE22 -0.12 -0.10 0.01 -0.04 7.69 7.43 3h67A1 VAL 216 H -0.21 0.60 -0.10 -0.55 8.24 7.98 3h67A1 VAL 216 HA -0.16 0.07 0.47 -0.75 4.13 3.75 3h67A1 VAL 216 HB -0.22 0.07 0.10 -0.04 2.12 2.03 3h67A1 VAL 216 HG13 -0.72 0.01 -0.06 -0.04 0.97 0.15 3h67A1 VAL 216 HG23 -0.19 -0.01 0.04 -0.04 0.95 0.74 3h67A1 LYS 217 H -0.21 0.43 -0.23 -0.55 8.42 7.85 3h67A1 LYS 217 HA -0.11 0.06 0.42 -0.75 4.32 3.93 3h67A1 LYS 217 HB2 -0.11 -0.02 0.09 -0.04 1.87 1.79 3h67A1 LYS 217 HB3 -0.16 0.08 0.16 -0.04 1.79 1.83 3h67A1 LYS 217 HG2 -0.21 0.01 -0.17 -0.04 1.46 1.04 3h67A1 LYS 217 HG3 0.08 0.05 0.00 -0.04 1.46 1.55 3h67A1 LYS 217 HD2 0.03 -0.05 -0.11 -0.04 1.69 1.52 3h67A1 LYS 217 HD3 -0.05 -0.03 -0.04 -0.04 1.68 1.52 3h67A1 LYS 217 HE2 0.12 0.02 -0.06 -0.04 2.99 3.03 3h67A1 LYS 217 HE3 0.37 0.08 -0.10 -0.04 2.99 3.30 3h67A1 GLU 218 H -0.18 0.37 -0.23 -0.55 8.60 8.01 3h67A1 GLU 218 HA -0.25 0.00 0.31 -0.75 4.29 3.60 3h67A1 GLU 218 HB2 -0.15 -0.02 0.13 -0.04 2.09 2.01 3h67A1 GLU 218 HB3 -0.14 0.19 0.19 -0.04 1.99 2.19 3h67A1 GLU 218 HG2 -0.11 -0.05 -0.01 -0.04 2.34 2.13 3h67A1 GLU 218 HG3 -0.13 0.04 -0.28 -0.04 2.34 1.93 3h67A1 VAL 219 H -0.14 0.40 -0.13 -0.55 8.24 7.82 3h67A1 VAL 219 HA -0.09 0.01 0.50 -0.75 4.13 3.80 3h67A1 VAL 219 HB -0.09 0.03 0.15 -0.04 2.12 2.17 3h67A1 VAL 219 HG13 -0.02 0.00 -0.12 -0.04 0.97 0.79 3h67A1 VAL 219 HG23 -0.07 0.03 0.05 -0.04 0.95 0.91 3h67A1 LEU 220 H -0.11 0.64 -0.07 -0.55 8.37 8.28 3h67A1 LEU 220 HA 0.03 0.01 0.37 -0.75 4.35 4.01 3h67A1 LEU 220 HB2 0.01 0.03 0.15 -0.04 1.64 1.80 3h67A1 LEU 220 HB3 0.18 0.13 -0.09 -0.04 1.64 1.82 3h67A1 LEU 220 HG -0.05 0.05 0.08 -0.04 1.64 1.68 3h67A1 LEU 220 HD13 0.02 -0.05 -0.13 -0.04 0.93 0.73 3h67A1 LEU 220 HD23 0.12 -0.01 0.02 -0.04 0.89 0.98 3h67A1 SER 221 H -0.35 0.50 -0.24 -0.55 8.46 7.82 3h67A1 SER 221 HA -0.79 0.06 0.28 -0.75 4.49 3.28 3h67A1 SER 221 HB2 -1.89 -0.11 0.11 -0.04 3.95 2.02 3h67A1 SER 221 HB3 -1.55 0.02 0.11 -0.04 3.93 2.47 3h67A1 LYS 222 H -0.18 0.32 -0.56 -0.55 8.42 7.45 3h67A1 LYS 222 HA -0.12 0.04 0.72 -0.75 4.32 4.21 3h67A1 LYS 222 HB2 -0.08 0.22 0.12 -0.04 1.87 2.08 3h67A1 LYS 222 HB3 -0.06 -0.12 0.11 -0.04 1.79 1.68 3h67A1 LYS 222 HG2 -0.15 0.28 0.08 -0.04 1.46 1.63 3h67A1 LYS 222 HG3 -0.09 -0.12 0.04 -0.04 1.46 1.26 3h67A1 LYS 222 HD2 -0.10 -0.01 0.06 -0.04 1.69 1.60 3h67A1 LYS 222 HD3 -0.20 0.03 -0.18 -0.04 1.68 1.29 3h67A1 LYS 222 HE2 -0.08 -0.05 0.01 -0.04 2.99 2.83 3h67A1 LYS 222 HE3 -0.09 -0.05 0.00 -0.04 2.99 2.81 3h67A1 LEU 223 H 0.00 0.53 -0.14 -0.55 8.37 8.22 3h67A1 LEU 223 HA 0.04 -0.02 0.61 -0.75 4.35 4.23 3h67A1 LEU 223 HB2 0.11 0.19 0.13 -0.04 1.64 2.02 3h67A1 LEU 223 HB3 0.08 -0.06 0.11 -0.04 1.64 1.72 3h67A1 LEU 223 HG 0.04 0.16 0.14 -0.04 1.64 1.93 3h67A1 LEU 223 HD13 0.11 -0.02 0.07 -0.04 0.93 1.05 3h67A1 LEU 223 HD23 0.04 -0.04 -0.04 -0.04 0.89 0.81 3h67A1 SER 224 H 0.05 0.02 0.18 -0.55 8.46 8.17 3h67A1 SER 224 HA 0.08 0.11 0.70 -0.75 4.49 4.63 3h67A1 SER 224 HB2 0.04 -0.03 0.20 -0.04 3.95 4.12 3h67A1 SER 224 HB3 0.05 0.14 0.04 -0.04 3.93 4.11 3h67A1 THR 225 H 0.09 0.24 0.22 -0.55 8.28 8.28 3h67A1 THR 225 HA 0.10 0.09 0.65 -0.75 4.39 4.48 3h67A1 THR 225 HB 0.06 0.09 0.15 -0.04 4.32 4.57 3h67A1 THR 225 HG23 0.06 -0.06 0.01 -0.04 1.22 1.19 3h67A1 LEU 226 H 0.06 0.10 -0.18 -0.55 8.37 7.81 3h67A1 LEU 226 HA 0.05 0.20 0.70 -0.75 4.35 4.55 3h67A1 LEU 226 HB2 0.05 -0.05 -0.14 -0.04 1.64 1.45 3h67A1 LEU 226 HB3 0.04 -0.04 0.08 -0.04 1.64 1.67 3h67A1 LEU 226 HG 0.02 0.08 -0.40 -0.04 1.64 1.30 3h67A1 LEU 226 HD13 0.05 0.01 -0.24 -0.04 0.93 0.71 3h67A1 LEU 226 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.78 3h67A1 VAL 227 H 0.04 0.61 0.22 -0.55 8.24 8.56 3h67A1 VAL 227 HA 0.03 0.09 0.67 -0.75 4.13 4.16 3h67A1 VAL 227 HB -0.00 -0.06 0.17 -0.04 2.12 2.18 3h67A1 VAL 227 HG13 -0.03 -0.01 -0.14 -0.04 0.97 0.74 3h67A1 VAL 227 HG23 0.09 0.03 0.03 -0.04 0.95 1.05 3h67A1 GLU 228 H 0.00 0.23 0.19 -0.55 8.60 8.48 3h67A1 GLU 228 HA -0.03 0.20 0.97 -0.75 4.29 4.68 3h67A1 GLU 228 HB2 -0.00 0.00 0.16 -0.04 2.09 2.21 3h67A1 GLU 228 HB3 -0.01 -0.03 0.00 -0.04 1.99 1.92 3h67A1 GLU 228 HG2 -0.00 -0.02 -0.06 -0.04 2.34 2.22 3h67A1 GLU 228 HG3 0.01 0.08 -0.43 -0.04 2.34 1.97 3h67A1 THR 229 H -0.05 0.59 0.28 -0.55 8.28 8.54 3h67A1 THR 229 HA -0.04 0.17 0.78 -0.75 4.39 4.55 3h67A1 THR 229 HB -0.11 -0.04 -0.01 -0.04 4.32 4.12 3h67A1 THR 229 HG23 -0.07 0.00 -0.27 -0.04 1.22 0.84 3h67A1 THR 230 H -0.02 0.25 0.19 -0.55 8.28 8.16 3h67A1 THR 230 HA -0.02 0.05 0.98 -0.75 4.39 4.65 3h67A1 THR 230 HB -0.00 0.01 0.10 -0.04 4.32 4.39 3h67A1 THR 230 HG23 -0.00 0.01 -0.10 -0.04 1.22 1.08 3h67A1 LEU 231 H -0.01 0.21 0.08 -0.55 8.37 8.10 3h67A1 LEU 231 HA 0.01 0.14 0.75 -0.75 4.35 4.50 3h67A1 LEU 231 HB2 -0.02 -0.05 -0.10 -0.04 1.64 1.43 3h67A1 LEU 231 HB3 -0.01 0.00 -0.00 -0.04 1.64 1.59 3h67A1 LEU 231 HG -0.01 0.06 -0.30 -0.04 1.64 1.35 3h67A1 LEU 231 HD13 0.01 0.05 -0.22 -0.04 0.93 0.73 3h67A1 LEU 231 HD23 -0.02 -0.01 -0.42 -0.04 0.89 0.41 3h67A1 LYS 232 H 0.01 0.16 0.10 -0.55 8.42 8.14 3h67A1 LYS 232 HA 0.00 0.14 0.50 -0.75 4.32 4.21 3h67A1 LYS 232 HB2 0.01 -0.01 0.07 -0.04 1.87 1.91 3h67A1 LYS 232 HB3 0.00 -0.10 0.14 -0.04 1.79 1.80 3h67A1 LYS 232 HG2 0.01 0.02 0.04 -0.04 1.46 1.48 3h67A1 LYS 232 HG3 0.01 0.04 -0.00 -0.04 1.46 1.47 3h67A1 LYS 232 HD2 0.03 0.07 0.04 -0.04 1.69 1.79 3h67A1 LYS 232 HD3 0.01 -0.04 0.02 -0.04 1.68 1.64 3h67A1 LYS 232 HE2 0.02 0.04 0.02 -0.04 2.99 3.03 3h67A1 LYS 232 HE3 0.02 0.01 0.02 -0.04 2.99 2.99 3h67A1 GLU 233 H 0.00 0.15 0.14 -0.55 8.60 8.34 3h67A1 GLU 233 HA -0.00 0.07 0.04 -0.75 4.29 3.64 3h67A1 GLU 233 HB2 -0.00 0.05 0.03 -0.04 2.09 2.13 3h67A1 GLU 233 HB3 -0.00 0.01 0.10 -0.04 1.99 2.06 3h67A1 GLU 233 HG2 -0.00 -0.05 0.01 -0.04 2.34 2.26 3h67A1 GLU 233 HG3 -0.00 0.05 -0.32 -0.04 2.34 2.03 3h67A1 THR 234 H -0.00 -0.00 -0.30 -0.55 8.28 7.42 3h67A1 THR 234 HA -0.01 0.22 0.86 -0.75 4.39 4.70 3h67A1 THR 234 HB -0.01 0.04 0.13 -0.04 4.32 4.44 3h67A1 THR 234 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.12 3h67A1 GLU 235 H -0.01 0.43 -0.26 -0.55 8.60 8.22 3h67A1 GLU 235 HA -0.03 0.20 0.72 -0.75 4.29 4.43 3h67A1 GLU 235 HB2 0.00 -0.06 0.12 -0.04 2.09 2.11 3h67A1 GLU 235 HB3 0.01 0.18 0.10 -0.04 1.99 2.23 3h67A1 GLU 235 HG2 0.00 0.13 0.01 -0.04 2.34 2.44 3h67A1 GLU 235 HG3 0.00 -0.20 -0.12 -0.04 2.34 1.98 3h67A1 LYS 236 H -0.06 0.27 0.26 -0.55 8.42 8.34 3h67A1 LYS 236 HA -0.06 0.21 1.03 -0.75 4.32 4.74 3h67A1 LYS 236 HB2 -0.19 0.04 0.11 -0.04 1.87 1.78 3h67A1 LYS 236 HB3 -0.11 -0.05 -0.07 -0.04 1.79 1.52 3h67A1 LYS 236 HG2 -0.12 0.00 0.10 -0.04 1.46 1.40 3h67A1 LYS 236 HG3 -0.17 0.04 -0.22 -0.04 1.46 1.06 3h67A1 LYS 236 HD2 -0.18 -0.05 -0.01 -0.04 1.69 1.40 3h67A1 LYS 236 HD3 -0.23 0.05 -0.01 -0.04 1.68 1.45 3h67A1 LYS 236 HE2 -0.54 0.03 -0.14 -0.04 2.99 2.30 3h67A1 LYS 236 HE3 -0.42 -0.03 -0.05 -0.04 2.99 2.45 3h67A1 ILE 237 H -0.10 0.59 0.34 -0.55 8.25 8.53 3h67A1 ILE 237 HA -0.12 0.24 0.41 -0.75 4.18 3.96 3h67A1 ILE 237 HB -0.03 0.01 -0.20 -0.04 1.89 1.63 3h67A1 ILE 237 HG12 -0.04 -0.00 -0.32 -0.04 1.49 1.09 3h67A1 ILE 237 HG13 -0.02 0.09 -0.26 -0.04 1.21 0.98 3h67A1 ILE 237 HG23 -0.04 -0.02 -0.24 -0.04 0.93 0.60 3h67A1 ILE 237 HD13 0.04 -0.01 -0.24 -0.04 0.88 0.63 3h67A1 THR 238 H -0.26 0.57 0.22 -0.55 8.28 8.26 3h67A1 THR 238 HA 0.00 0.34 1.13 -0.75 4.39 5.10 3h67A1 THR 238 HB -0.90 0.03 0.15 -0.04 4.32 3.56 3h67A1 THR 238 HG23 -0.24 -0.02 -0.19 -0.04 1.22 0.73 3h67A1 VAL 239 H 0.02 0.65 0.27 -0.55 8.24 8.64 3h67A1 VAL 239 HA -0.08 0.25 1.01 -0.75 4.13 4.55 3h67A1 VAL 239 HB 0.03 -0.07 0.07 -0.04 2.12 2.11 3h67A1 VAL 239 HG13 0.02 -0.00 -0.17 -0.04 0.97 0.77 3h67A1 VAL 239 HG23 -0.02 0.01 -0.25 -0.04 0.95 0.66 3h67A1 CYS 240 H -0.22 0.69 0.35 -0.55 8.50 8.78 3h67A1 CYS 240 HA 0.08 0.13 0.93 -0.75 4.58 4.97 3h67A1 CYS 240 HB2 -0.59 -0.04 0.15 -0.04 2.97 2.45 3h67A1 CYS 240 HB3 0.03 0.04 0.05 -0.04 2.97 3.04 3h67A1 GLY 241 H 0.10 0.16 -0.04 -0.55 8.43 8.10 3h67A1 GLY 241 HA2 0.08 0.19 0.63 -0.51 4.01 4.39 3h67A1 GLY 241 HA3 0.07 0.12 0.26 -0.51 4.01 3.95 3h67A1 ASP 242 H -0.06 0.07 0.25 -0.55 8.40 8.11 3h67A1 ASP 242 HA -0.14 0.33 0.20 -0.75 4.63 4.26 3h67A1 ASP 242 HB2 -0.56 -0.10 0.09 -0.04 2.71 2.10 3h67A1 ASP 242 HB3 -0.21 0.04 0.06 -0.04 2.70 2.54 3h67A1 THR 243 H -0.16 0.33 0.24 -0.55 8.28 8.14 3h67A1 THR 243 HA 0.02 0.24 0.68 -0.75 4.39 4.58 3h67A1 THR 243 HB 0.08 -0.13 -0.02 -0.04 4.32 4.22 3h67A1 THR 243 HG23 0.24 0.10 -0.14 -0.04 1.22 1.38 3h67A1 HIS 244 H -0.27 0.52 0.26 -0.55 8.41 8.38 3h67A1 HIS 244 HA -0.04 0.07 -0.03 -0.75 4.63 3.87 3h67A1 HIS 244 HB2 0.11 -0.01 -0.32 -0.04 3.26 3.01 3h67A1 HIS 244 HB3 0.07 -0.05 0.22 -0.04 3.20 3.40 3h67A1 HIS 244 HD2 -0.25 0.27 -0.09 -0.04 6.97 6.87 3h67A1 HIS 244 HE1 -0.02 -0.01 0.01 -0.04 7.75 7.69 3h67A1 GLY 245 H 0.07 0.42 -0.20 -0.55 8.43 8.18 3h67A1 GLY 245 HA2 0.12 0.06 0.09 -0.51 4.01 3.77 3h67A1 GLY 245 HA3 0.12 -0.05 0.04 -0.51 4.01 3.61 3h67A1 GLN 246 H 0.15 0.60 -0.37 -0.55 8.47 8.30 3h67A1 GLN 246 HA 0.28 0.07 0.75 -0.75 4.36 4.71 3h67A1 GLN 246 HB2 0.15 0.13 0.20 -0.04 2.15 2.59 3h67A1 GLN 246 HB3 0.19 -0.05 0.15 -0.04 2.02 2.27 3h67A1 GLN 246 HG2 0.14 -0.09 -0.01 -0.04 2.40 2.39 3h67A1 GLN 246 HG3 0.17 0.23 -0.07 -0.04 2.39 2.67 3h67A1 GLN 246 HE21 0.17 0.34 -0.24 -0.04 6.97 7.19 3h67A1 GLN 246 HE22 0.17 -0.09 0.02 -0.04 7.69 7.75 3h67A1 PHE 247 H 0.38 0.37 -0.16 -0.55 8.34 8.37 3h67A1 PHE 247 HA -0.06 0.04 0.20 -0.75 4.62 4.05 3h67A1 PHE 247 HB2 -0.04 0.04 0.09 -0.04 3.15 3.20 3h67A1 PHE 247 HB3 -0.37 0.04 0.10 -0.04 3.06 2.79 3h67A1 PHE 247 HD2 -0.72 0.01 -0.20 -0.04 7.28 6.33 3h67A1 PHE 247 HE2 -0.08 0.06 -0.17 -0.04 7.38 7.15 3h67A1 PHE 247 HZ 0.10 0.05 0.02 -0.04 7.32 7.45 3h67A1 TYR 248 H 0.18 0.09 -0.21 -0.55 8.29 7.81 3h67A1 TYR 248 HA -0.26 0.10 0.44 -0.75 4.56 4.08 3h67A1 TYR 248 HB2 0.02 -0.00 0.02 -0.04 3.06 3.06 3h67A1 TYR 248 HB3 -0.02 0.16 0.06 -0.04 2.98 3.14 3h67A1 TYR 248 HD2 -0.27 -0.05 0.08 -0.04 7.15 6.87 3h67A1 TYR 248 HE2 -0.70 0.04 0.10 -0.04 6.85 6.25 3h67A1 ASP 249 H 0.11 0.17 -0.21 -0.55 8.40 7.93 3h67A1 ASP 249 HA 0.11 0.08 0.63 -0.75 4.63 4.68 3h67A1 ASP 249 HB2 0.16 0.12 0.17 -0.04 2.71 3.12 3h67A1 ASP 249 HB3 0.29 0.07 0.06 -0.04 2.70 3.08 3h67A1 LEU 250 H -0.09 0.40 -0.12 -0.55 8.37 8.02 3h67A1 LEU 250 HA -0.21 0.08 0.49 -0.75 4.35 3.95 3h67A1 LEU 250 HB2 -0.11 -0.05 0.01 -0.04 1.64 1.45 3h67A1 LEU 250 HB3 -0.31 0.11 0.13 -0.04 1.64 1.53 3h67A1 LEU 250 HG -0.55 0.02 -0.28 -0.04 1.64 0.79 3h67A1 LEU 250 HD13 -0.45 0.00 -0.03 -0.04 0.93 0.41 3h67A1 LEU 250 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.78 3h67A1 LEU 251 H -0.48 0.48 -0.11 -0.55 8.37 7.71 3h67A1 LEU 251 HA -0.17 0.01 0.36 -0.75 4.35 3.80 3h67A1 LEU 251 HB2 -0.27 0.13 0.13 -0.04 1.64 1.59 3h67A1 LEU 251 HB3 -0.13 -0.02 -0.00 -0.04 1.64 1.45 3h67A1 LEU 251 HG -1.30 0.12 0.05 -0.04 1.64 0.47 3h67A1 LEU 251 HD13 -0.23 0.00 -0.00 -0.04 0.93 0.66 3h67A1 LEU 251 HD23 -0.15 -0.02 -0.03 -0.04 0.89 0.66 3h67A1 ASN 252 H -0.13 0.28 -0.42 -0.55 8.53 7.71 3h67A1 ASN 252 HA -0.04 -0.01 0.36 -0.75 4.76 4.32 3h67A1 ASN 252 HB2 0.01 0.06 0.16 -0.04 2.88 3.07 3h67A1 ASN 252 HB3 -0.04 0.13 0.16 -0.04 2.79 3.00 3h67A1 ASN 252 HD21 0.13 -0.04 -0.03 -0.04 7.03 7.06 3h67A1 ASN 252 HD22 0.16 0.03 -0.03 -0.04 7.74 7.85 3h67A1 ILE 253 H -0.26 0.57 -0.10 -0.55 8.25 7.90 3h67A1 ILE 253 HA -0.34 0.00 0.40 -0.75 4.18 3.49 3h67A1 ILE 253 HB -0.41 0.12 0.11 -0.04 1.89 1.67 3h67A1 ILE 253 HG12 -0.54 -0.04 -0.04 -0.04 1.49 0.83 3h67A1 ILE 253 HG13 -0.29 0.21 0.07 -0.04 1.21 1.17 3h67A1 ILE 253 HG23 -0.20 -0.01 -0.16 -0.04 0.93 0.52 3h67A1 ILE 253 HD13 0.13 -0.01 -0.03 -0.04 0.88 0.92 3h67A1 PHE 254 H -0.25 0.39 -0.26 -0.55 8.34 7.66 3h67A1 PHE 254 HA -0.02 0.22 0.27 -0.75 4.62 4.33 3h67A1 PHE 254 HB2 -0.06 0.06 0.06 -0.04 3.15 3.16 3h67A1 PHE 254 HB3 -0.06 -0.09 -0.13 -0.04 3.06 2.74 3h67A1 PHE 254 HD2 -0.11 0.05 -0.11 -0.04 7.28 7.07 3h67A1 PHE 254 HE2 -0.44 -0.04 -0.11 -0.04 7.38 6.76 3h67A1 PHE 254 HZ -0.09 -0.05 -0.09 -0.04 7.32 7.05 3h67A1 GLU 255 H 0.05 0.58 -0.07 -0.55 8.60 8.62 3h67A1 GLU 255 HA 0.05 0.01 0.64 -0.75 4.29 4.25 3h67A1 GLU 255 HB2 0.01 0.06 0.10 -0.04 2.09 2.23 3h67A1 GLU 255 HB3 0.03 -0.06 0.01 -0.04 1.99 1.93 3h67A1 GLU 255 HG2 0.04 -0.07 -0.02 -0.04 2.34 2.26 3h67A1 GLU 255 HG3 0.05 0.18 0.01 -0.04 2.34 2.54 3h67A1 LEU 256 H -0.01 0.65 -0.11 -0.55 8.37 8.35 3h67A1 LEU 256 HA 0.03 0.01 0.49 -0.75 4.35 4.13 3h67A1 LEU 256 HB2 -0.00 0.09 0.07 -0.04 1.64 1.76 3h67A1 LEU 256 HB3 0.09 -0.05 -0.04 -0.04 1.64 1.60 3h67A1 LEU 256 HG -0.02 0.07 -0.00 -0.04 1.64 1.65 3h67A1 LEU 256 HD13 -0.04 -0.02 -0.10 -0.04 0.93 0.72 3h67A1 LEU 256 HD23 0.05 -0.02 -0.01 -0.04 0.89 0.87 3h67A1 ASN 257 H 0.02 0.47 -0.15 -0.55 8.53 8.32 3h67A1 ASN 257 HA 0.03 0.12 0.77 -0.75 4.76 4.92 3h67A1 ASN 257 HB2 -0.33 -0.11 -0.08 -0.04 2.88 2.32 3h67A1 ASN 257 HB3 -0.08 0.13 -0.01 -0.04 2.79 2.79 3h67A1 ASN 257 HD21 -0.41 -0.05 -0.08 -0.04 7.03 6.45 3h67A1 ASN 257 HD22 -0.29 0.04 -0.13 -0.04 7.74 7.32 3h67A1 GLY 258 H 0.07 0.22 -0.26 -0.55 8.43 7.92 3h67A1 GLY 258 HA2 0.03 -0.09 0.36 -0.51 4.01 3.79 3h67A1 GLY 258 HA3 0.02 0.11 0.66 -0.51 4.01 4.29 3h67A1 LEU 259 H -0.04 -0.01 0.10 -0.55 8.37 7.88 3h67A1 LEU 259 HA -0.43 0.06 0.52 -0.75 4.35 3.74 3h67A1 LEU 259 HB2 -0.09 -0.07 0.07 -0.04 1.64 1.50 3h67A1 LEU 259 HB3 -0.23 0.09 0.03 -0.04 1.64 1.50 3h67A1 LEU 259 HG -0.04 -0.01 0.02 -0.04 1.64 1.57 3h67A1 LEU 259 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.89 3h67A1 LEU 259 HD23 -0.17 0.00 -0.02 -0.04 0.89 0.65 3h67A1 PRO 260 HA 0.07 0.42 0.52 -0.51 4.44 4.94 3h67A1 PRO 260 HB2 -0.51 -0.07 -0.07 -0.04 2.28 1.59 3h67A1 PRO 260 HB3 0.14 0.07 0.07 -0.04 2.02 2.27 3h67A1 PRO 260 HG2 -2.32 -0.06 0.02 -0.04 2.03 -0.36 3h67A1 PRO 260 HG3 -0.89 0.07 0.04 -0.04 2.03 1.21 3h67A1 PRO 260 HD2 -1.49 -0.01 0.16 -0.04 3.68 2.29 3h67A1 PRO 260 HD3 -1.66 0.13 0.19 -0.04 3.65 2.28 3h67A1 SER 261 H -0.23 0.50 0.14 -0.55 8.46 8.32 3h67A1 SER 261 HA -1.52 0.08 0.27 -0.75 4.49 2.56 3h67A1 SER 261 HB2 -0.29 -0.09 0.16 -0.04 3.95 3.68 3h67A1 SER 261 HB3 -0.26 0.27 -0.20 -0.04 3.93 3.70 3h67A1 GLU 262 H -0.37 0.16 0.11 -0.55 8.60 7.95 3h67A1 GLU 262 HA -0.83 0.14 0.47 -0.75 4.29 3.30 3h67A1 GLU 262 HB2 -0.20 -0.02 0.05 -0.04 2.09 1.87 3h67A1 GLU 262 HB3 -0.44 0.04 0.10 -0.04 1.99 1.65 3h67A1 GLU 262 HG2 -0.04 0.02 0.05 -0.04 2.34 2.33 3h67A1 GLU 262 HG3 -0.06 0.02 0.04 -0.04 2.34 2.30 3h67A1 THR 263 H -0.21 -0.02 -0.40 -0.55 8.28 7.10 3h67A1 THR 263 HA -0.12 0.22 0.89 -0.75 4.39 4.63 3h67A1 THR 263 HB -0.08 0.04 0.13 -0.04 4.32 4.37 3h67A1 THR 263 HG23 -0.08 -0.02 -0.10 -0.04 1.22 0.98 3h67A1 ASN 264 H -0.17 0.08 -0.33 -0.55 8.53 7.57 3h67A1 ASN 264 HA -0.12 0.21 0.75 -0.75 4.76 4.83 3h67A1 ASN 264 HB2 -0.09 -0.08 -0.18 -0.04 2.88 2.48 3h67A1 ASN 264 HB3 -0.08 0.03 0.10 -0.04 2.79 2.79 3h67A1 ASN 264 HD21 0.02 0.31 -0.14 -0.04 7.03 7.19 3h67A1 ASN 264 HD22 0.04 0.25 -0.39 -0.04 7.74 7.61 3h67A1 PRO 265 HA 0.16 0.19 0.63 -0.51 4.44 4.92 3h67A1 PRO 265 HB2 0.14 -0.04 0.02 -0.04 2.28 2.36 3h67A1 PRO 265 HB3 0.23 -0.00 0.22 -0.04 2.02 2.42 3h67A1 PRO 265 HG2 0.02 0.13 0.22 -0.04 2.03 2.37 3h67A1 PRO 265 HG3 0.13 -0.01 0.08 -0.04 2.03 2.18 3h67A1 PRO 265 HD2 -0.08 0.15 -0.02 -0.04 3.68 3.69 3h67A1 PRO 265 HD3 -0.04 -0.01 -0.41 -0.04 3.65 3.15 3h67A1 TYR 266 H 0.21 0.44 0.41 -0.55 8.29 8.80 3h67A1 TYR 266 HA -0.08 0.22 1.02 -0.75 4.56 4.97 3h67A1 TYR 266 HB2 -0.13 -0.06 0.09 -0.04 3.06 2.91 3h67A1 TYR 266 HB3 -0.23 -0.05 -0.13 -0.04 2.98 2.53 3h67A1 TYR 266 HD2 -0.16 -0.02 -0.11 -0.04 7.15 6.83 3h67A1 TYR 266 HE2 -0.08 0.03 -0.24 -0.04 6.85 6.52 3h67A1 ILE 267 H -0.09 0.76 0.37 -0.55 8.25 8.73 3h67A1 ILE 267 HA 0.07 0.22 0.79 -0.75 4.18 4.51 3h67A1 ILE 267 HB -0.02 -0.05 0.11 -0.04 1.89 1.89 3h67A1 ILE 267 HG12 0.04 0.03 -0.13 -0.04 1.49 1.39 3h67A1 ILE 267 HG13 0.05 -0.03 -0.52 -0.04 1.21 0.67 3h67A1 ILE 267 HG23 0.05 -0.02 -0.29 -0.04 0.93 0.64 3h67A1 ILE 267 HD13 -0.06 -0.01 -0.22 -0.04 0.88 0.54 3h67A1 PHE 268 H 0.23 0.62 0.27 -0.55 8.34 8.90 3h67A1 PHE 268 HA 0.13 0.26 1.08 -0.75 4.62 5.34 3h67A1 PHE 268 HB2 0.11 -0.02 0.15 -0.04 3.15 3.35 3h67A1 PHE 268 HB3 0.39 -0.03 -0.07 -0.04 3.06 3.30 3h67A1 PHE 268 HD2 -0.09 0.06 -0.12 -0.04 7.28 7.09 3h67A1 PHE 268 HE2 -0.06 0.02 -0.09 -0.04 7.38 7.20 3h67A1 PHE 268 HZ -0.24 0.04 -0.09 -0.04 7.32 6.98 3h67A1 ASN 269 H 0.18 0.58 0.08 -0.55 8.53 8.82 3h67A1 ASN 269 HA 0.13 0.05 0.15 -0.75 4.76 4.34 3h67A1 ASN 269 HB2 0.07 0.01 -0.14 -0.04 2.88 2.77 3h67A1 ASN 269 HB3 0.08 0.02 0.12 -0.04 2.79 2.97 3h67A1 ASN 269 HD21 0.01 0.40 -0.20 -0.04 7.03 7.20 3h67A1 ASN 269 HD22 0.04 -0.03 -0.23 -0.04 7.74 7.48 3h67A1 GLY 270 H 0.04 0.33 -0.05 -0.55 8.43 8.21 3h67A1 GLY 270 HA2 -0.83 0.06 0.34 -0.51 4.01 3.06 3h67A1 GLY 270 HA3 -0.40 0.11 0.36 -0.51 4.01 3.57 3h67A1 ASP 271 H -0.82 -0.02 0.22 -0.55 8.40 7.24 3h67A1 ASP 271 HA -0.56 -0.06 0.38 -0.75 4.63 3.64 3h67A1 ASP 271 HB2 -0.33 0.17 -0.05 -0.04 2.71 2.45 3h67A1 ASP 271 HB3 -1.07 0.02 0.25 -0.04 2.70 1.87 3h67A1 PHE 272 H -0.79 0.11 -0.00 -0.55 8.34 7.10 3h67A1 PHE 272 HA -0.16 0.10 0.35 -0.75 4.62 4.15 3h67A1 PHE 272 HB2 -0.28 -0.01 -0.13 -0.04 3.15 2.69 3h67A1 PHE 272 HB3 -0.18 0.03 -0.08 -0.04 3.06 2.79 3h67A1 PHE 272 HD2 -0.18 0.00 -0.13 -0.04 7.28 6.93 3h67A1 PHE 272 HE2 0.05 0.07 -0.17 -0.04 7.38 7.28 3h67A1 PHE 272 HZ 0.06 0.18 0.03 -0.04 7.32 7.55 3h67A1 VAL 273 H -0.27 0.01 -0.06 -0.55 8.24 7.37 3h67A1 VAL 273 HA -0.08 0.15 0.84 -0.75 4.13 4.28 3h67A1 VAL 273 HB -0.53 -0.11 0.06 -0.04 2.12 1.50 3h67A1 VAL 273 HG13 -0.63 0.03 -0.16 -0.04 0.97 0.16 3h67A1 VAL 273 HG23 -0.31 -0.00 -0.18 -0.04 0.95 0.42 3h67A1 ASP 274 H 0.11 0.02 0.03 -0.55 8.40 8.01 3h67A1 ASP 274 HA 0.20 -0.02 0.30 -0.75 4.63 4.35 3h67A1 ASP 274 HB2 0.07 0.31 0.23 -0.04 2.71 3.28 3h67A1 ASP 274 HB3 0.12 0.09 0.06 -0.04 2.70 2.93 3h67A1 ARG 275 H 0.14 0.71 0.27 -0.55 8.46 9.02 3h67A1 ARG 275 HA 0.02 0.04 0.46 -0.75 4.34 4.11 3h67A1 ARG 275 HB2 -0.11 0.16 0.33 -0.04 1.90 2.24 3h67A1 ARG 275 HB3 -0.20 -0.03 0.10 -0.04 1.80 1.64 3h67A1 ARG 275 HG2 -0.24 -0.13 -0.30 -0.04 1.67 0.95 3h67A1 ARG 275 HG3 -0.57 0.02 -0.09 -0.04 1.67 0.99 3h67A1 ARG 275 HD2 -0.07 0.01 0.01 -0.04 3.22 3.14 3h67A1 ARG 275 HD3 0.02 0.01 0.07 -0.04 3.22 3.27 3h67A1 GLY 276 H 0.08 0.61 -0.08 -0.55 8.43 8.49 3h67A1 GLY 276 HA2 -0.02 0.03 0.51 -0.51 4.01 4.02 3h67A1 GLY 276 HA3 0.08 0.28 0.31 -0.51 4.01 4.17 3h67A1 SER 277 H -0.18 0.24 0.11 -0.55 8.46 8.09 3h67A1 SER 277 HA 0.00 0.08 0.56 -0.75 4.49 4.39 3h67A1 SER 277 HB2 -0.47 0.12 -0.03 -0.04 3.95 3.53 3h67A1 SER 277 HB3 -0.21 0.02 0.13 -0.04 3.93 3.83 3h67A1 PHE 278 H 0.06 0.39 -0.16 -0.55 8.34 8.08 3h67A1 PHE 278 HA 0.01 0.20 0.79 -0.75 4.62 4.87 3h67A1 PHE 278 HB2 0.15 -0.13 0.24 -0.04 3.15 3.37 3h67A1 PHE 278 HB3 -0.01 -0.01 0.22 -0.04 3.06 3.22 3h67A1 PHE 278 HD2 0.11 0.02 0.10 -0.04 7.28 7.47 3h67A1 PHE 278 HE2 -0.11 0.06 0.01 -0.04 7.38 7.30 3h67A1 PHE 278 HZ 0.02 0.14 -0.01 -0.04 7.32 7.43 3h67A1 SER 279 H 0.07 0.27 -0.16 -0.55 8.46 8.09 3h67A1 SER 279 HA 0.07 0.10 0.52 -0.75 4.49 4.42 3h67A1 SER 279 HB2 0.29 0.05 0.04 -0.04 3.95 4.29 3h67A1 SER 279 HB3 0.02 -0.02 0.03 -0.04 3.93 3.93 3h67A1 VAL 280 H 0.04 0.17 -0.17 -0.55 8.24 7.73 3h67A1 VAL 280 HA 0.16 0.08 0.47 -0.75 4.13 4.09 3h67A1 VAL 280 HB -0.07 0.05 -0.01 -0.04 2.12 2.05 3h67A1 VAL 280 HG13 0.15 0.03 -0.20 -0.04 0.97 0.91 3h67A1 VAL 280 HG23 -0.02 0.01 -0.10 -0.04 0.95 0.80 3h67A1 GLU 281 H -0.20 0.11 -0.35 -0.55 8.60 7.61 3h67A1 GLU 281 HA -1.02 0.08 0.36 -0.75 4.29 2.96 3h67A1 GLU 281 HB2 -0.55 0.05 0.11 -0.04 2.09 1.66 3h67A1 GLU 281 HB3 -1.85 0.05 -0.02 -0.04 1.99 0.13 3h67A1 GLU 281 HG2 -0.83 0.15 0.02 -0.04 2.34 1.64 3h67A1 GLU 281 HG3 -1.71 0.02 -0.01 -0.04 2.34 0.60 3h67A1 VAL 282 H -0.00 0.40 -0.12 -0.55 8.24 7.97 3h67A1 VAL 282 HA 0.23 0.07 0.34 -0.75 4.13 4.01 3h67A1 VAL 282 HB 0.05 0.02 0.18 -0.04 2.12 2.33 3h67A1 VAL 282 HG13 -0.02 0.01 -0.15 -0.04 0.97 0.78 3h67A1 VAL 282 HG23 0.18 0.01 -0.14 -0.04 0.95 0.96 3h67A1 ILE 283 H -0.05 0.52 -0.16 -0.55 8.25 8.01 3h67A1 ILE 283 HA -0.32 0.03 0.18 -0.75 4.18 3.32 3h67A1 ILE 283 HB -0.22 -0.04 0.00 -0.04 1.89 1.59 3h67A1 ILE 283 HG12 0.06 -0.01 -0.07 -0.04 1.49 1.43 3h67A1 ILE 283 HG13 -0.96 0.02 -0.11 -0.04 1.21 0.12 3h67A1 ILE 283 HG23 0.01 0.02 -0.02 -0.04 0.93 0.90 3h67A1 ILE 283 HD13 -0.43 -0.01 -0.05 -0.04 0.88 0.34 3h67A1 LEU 284 H 0.08 0.53 -0.18 -0.55 8.37 8.25 3h67A1 LEU 284 HA 0.21 0.03 0.40 -0.75 4.35 4.23 3h67A1 LEU 284 HB2 0.32 0.13 0.10 -0.04 1.64 2.15 3h67A1 LEU 284 HB3 0.32 -0.05 0.00 -0.04 1.64 1.87 3h67A1 LEU 284 HG 0.44 0.02 0.01 -0.04 1.64 2.07 3h67A1 LEU 284 HD13 0.39 -0.02 -0.05 -0.04 0.93 1.21 3h67A1 LEU 284 HD23 0.26 -0.01 -0.04 -0.04 0.89 1.06 3h67A1 THR 285 H 0.18 0.46 -0.22 -0.55 8.28 8.14 3h67A1 THR 285 HA 0.07 -0.01 0.45 -0.75 4.39 4.15 3h67A1 THR 285 HB 0.27 0.12 0.14 -0.04 4.32 4.80 3h67A1 THR 285 HG23 0.37 -0.01 -0.13 -0.04 1.22 1.40 3h67A1 LEU 286 H 0.03 0.52 -0.08 -0.55 8.37 8.29 3h67A1 LEU 286 HA 0.20 0.04 0.38 -0.75 4.35 4.22 3h67A1 LEU 286 HB2 -0.27 0.05 0.09 -0.04 1.64 1.47 3h67A1 LEU 286 HB3 -0.10 0.00 -0.08 -0.04 1.64 1.42 3h67A1 LEU 286 HG -0.18 0.17 0.02 -0.04 1.64 1.61 3h67A1 LEU 286 HD13 -0.63 -0.03 -0.12 -0.04 0.93 0.11 3h67A1 LEU 286 HD23 -0.49 0.00 -0.07 -0.04 0.89 0.29 3h67A1 PHE 287 H 0.09 0.57 -0.17 -0.55 8.34 8.28 3h67A1 PHE 287 HA 0.07 0.08 0.45 -0.75 4.62 4.46 3h67A1 PHE 287 HB2 0.09 0.00 0.09 -0.04 3.15 3.29 3h67A1 PHE 287 HB3 0.03 -0.02 -0.05 -0.04 3.06 2.99 3h67A1 PHE 287 HD2 0.10 -0.03 -0.14 -0.04 7.28 7.17 3h67A1 PHE 287 HE2 0.23 -0.02 -0.10 -0.04 7.38 7.45 3h67A1 PHE 287 HZ 0.52 -0.01 -0.12 -0.04 7.32 7.68 3h67A1 GLY 288 H 0.10 0.57 -0.22 -0.55 8.43 8.33 3h67A1 GLY 288 HA2 -0.04 -0.03 0.33 -0.51 4.01 3.76 3h67A1 GLY 288 HA3 -0.10 0.03 0.28 -0.51 4.01 3.72 3h67A1 PHE 289 H -0.18 0.55 -0.20 -0.55 8.34 7.96 3h67A1 PHE 289 HA -0.26 -0.04 0.33 -0.75 4.62 3.90 3h67A1 PHE 289 HB2 -1.09 0.12 0.06 -0.04 3.15 2.21 3h67A1 PHE 289 HB3 -1.44 0.01 -0.08 -0.04 3.06 1.51 3h67A1 PHE 289 HD2 -0.18 0.01 -0.08 -0.04 7.28 6.99 3h67A1 PHE 289 HE2 -0.13 -0.03 -0.05 -0.04 7.38 7.13 3h67A1 PHE 289 HZ -0.22 -0.02 -0.05 -0.04 7.32 6.98 3h67A1 LYS 290 H 0.07 0.39 -0.36 -0.55 8.42 7.97 3h67A1 LYS 290 HA 0.32 0.14 0.36 -0.75 4.32 4.39 3h67A1 LYS 290 HB2 0.33 0.09 0.11 -0.04 1.87 2.36 3h67A1 LYS 290 HB3 0.12 0.01 0.08 -0.04 1.79 1.95 3h67A1 LYS 290 HG2 0.33 0.03 -0.02 -0.04 1.46 1.75 3h67A1 LYS 290 HG3 0.18 -0.07 -0.00 -0.04 1.46 1.53 3h67A1 LYS 290 HD2 0.07 -0.07 -0.06 -0.04 1.69 1.59 3h67A1 LYS 290 HD3 0.15 0.02 0.14 -0.04 1.68 1.94 3h67A1 LYS 290 HE2 0.14 -0.10 0.10 -0.04 2.99 3.08 3h67A1 LYS 290 HE3 0.08 -0.04 0.03 -0.04 2.99 3.01 3h67A1 LEU 291 H -0.00 0.52 -0.18 -0.55 8.37 8.16 3h67A1 LEU 291 HA -0.05 0.04 0.32 -0.75 4.35 3.91 3h67A1 LEU 291 HB2 -0.09 0.09 0.15 -0.04 1.64 1.75 3h67A1 LEU 291 HB3 -0.11 -0.11 -0.00 -0.04 1.64 1.37 3h67A1 LEU 291 HG -0.07 0.12 0.01 -0.04 1.64 1.66 3h67A1 LEU 291 HD13 -0.11 -0.01 0.00 -0.04 0.93 0.76 3h67A1 LEU 291 HD23 -0.10 -0.02 -0.22 -0.04 0.89 0.51 3h67A1 LEU 292 H -0.12 0.35 -0.27 -0.55 8.37 7.78 3h67A1 LEU 292 HA -0.24 0.04 0.42 -0.75 4.35 3.81 3h67A1 LEU 292 HB2 -0.27 -0.06 -0.09 -0.04 1.64 1.18 3h67A1 LEU 292 HB3 -0.35 0.07 0.02 -0.04 1.64 1.35 3h67A1 LEU 292 HG -1.50 0.03 -0.20 -0.04 1.64 -0.08 3h67A1 LEU 292 HD13 -0.27 -0.02 -0.09 -0.04 0.93 0.51 3h67A1 LEU 292 HD23 -0.14 -0.03 -0.21 -0.04 0.89 0.47 3h67A1 TYR 293 H 0.02 0.59 -0.25 -0.55 8.29 8.11 3h67A1 TYR 293 HA 0.10 0.14 0.86 -0.75 4.56 4.90 3h67A1 TYR 293 HB2 0.15 0.12 -0.01 -0.04 3.06 3.28 3h67A1 TYR 293 HB3 0.18 -0.10 -0.06 -0.04 2.98 2.96 3h67A1 TYR 293 HD2 0.06 0.05 -0.12 -0.04 7.15 7.09 3h67A1 TYR 293 HE2 0.07 -0.01 -0.08 -0.04 6.85 6.80 3h67A1 PRO 294 HA 0.09 0.25 0.37 -0.51 4.44 4.64 3h67A1 PRO 294 HB2 0.03 -0.02 -0.03 -0.04 2.28 2.22 3h67A1 PRO 294 HB3 0.02 0.05 0.10 -0.04 2.02 2.15 3h67A1 PRO 294 HG2 0.04 -0.08 0.05 -0.04 2.03 2.00 3h67A1 PRO 294 HG3 0.00 0.05 0.05 -0.04 2.03 2.09 3h67A1 PRO 294 HD2 0.07 0.06 -0.04 -0.04 3.68 3.72 3h67A1 PRO 294 HD3 0.00 0.31 -0.49 -0.04 3.65 3.44 3h67A1 ASP 295 H 0.10 0.06 -0.26 -0.55 8.40 7.76 3h67A1 ASP 295 HA -0.02 0.19 0.72 -0.75 4.63 4.76 3h67A1 ASP 295 HB2 -0.08 -0.03 0.00 -0.04 2.71 2.55 3h67A1 ASP 295 HB3 -0.27 0.00 0.12 -0.04 2.70 2.52 3h67A1 HIS 296 H 0.11 0.49 -0.26 -0.55 8.41 8.19 3h67A1 HIS 296 HA 0.09 0.17 0.81 -0.75 4.63 4.95 3h67A1 HIS 296 HB2 0.07 -0.06 -0.13 -0.04 3.26 3.11 3h67A1 HIS 296 HB3 0.02 0.05 0.10 -0.04 3.20 3.33 3h67A1 HIS 296 HD2 0.04 0.02 0.07 -0.04 6.97 7.06 3h67A1 HIS 296 HE1 0.05 -0.05 -0.02 -0.04 7.75 7.69 3h67A1 PHE 297 H -0.12 0.31 -0.03 -0.55 8.34 7.95 3h67A1 PHE 297 HA 0.06 0.11 0.91 -0.75 4.62 4.93 3h67A1 PHE 297 HB2 0.16 -0.05 -0.20 -0.04 3.15 3.03 3h67A1 PHE 297 HB3 0.12 0.08 -0.06 -0.04 3.06 3.16 3h67A1 PHE 297 HD2 0.11 0.02 -0.17 -0.04 7.28 7.20 3h67A1 PHE 297 HE2 -0.05 -0.01 -0.07 -0.04 7.38 7.21 3h67A1 PHE 297 HZ -0.01 -0.07 -0.08 -0.04 7.32 7.12 3h67A1 HIS 298 H -0.28 0.46 0.20 -0.55 8.41 8.25 3h67A1 HIS 298 HA 0.09 0.19 0.71 -0.75 4.63 4.86 3h67A1 HIS 298 HB2 0.00 -0.02 0.13 -0.04 3.26 3.33 3h67A1 HIS 298 HB3 0.05 0.00 -0.10 -0.04 3.20 3.11 3h67A1 HIS 298 HD2 0.05 0.05 -0.12 -0.04 6.97 6.91 3h67A1 HIS 298 HE1 0.00 0.04 -0.18 -0.04 7.75 7.57 3h67A1 LEU 299 H 0.20 0.31 0.20 -0.55 8.37 8.53 3h67A1 LEU 299 HA 0.26 0.16 0.99 -0.75 4.35 5.00 3h67A1 LEU 299 HB2 0.23 0.05 0.07 -0.04 1.64 1.94 3h67A1 LEU 299 HB3 0.16 -0.04 -0.03 -0.04 1.64 1.68 3h67A1 LEU 299 HG 0.22 0.03 -0.35 -0.04 1.64 1.50 3h67A1 LEU 299 HD13 0.27 -0.00 -0.19 -0.04 0.93 0.97 3h67A1 LEU 299 HD23 -0.12 0.00 -0.09 -0.04 0.89 0.64 3h67A1 LEU 300 H 0.36 0.52 0.27 -0.55 8.37 8.98 3h67A1 LEU 300 HA 0.16 0.33 0.72 -0.75 4.35 4.81 3h67A1 LEU 300 HB2 0.11 -0.14 -0.09 -0.04 1.64 1.48 3h67A1 LEU 300 HB3 0.08 0.09 -0.18 -0.04 1.64 1.59 3h67A1 LEU 300 HG 0.13 -0.07 -0.38 -0.04 1.64 1.29 3h67A1 LEU 300 HD13 0.05 0.00 -0.29 -0.04 0.93 0.66 3h67A1 LEU 300 HD23 0.10 0.04 -0.38 -0.04 0.89 0.60 3h67A1 ARG 301 H 0.07 0.73 0.23 -0.55 8.46 8.93 3h67A1 ARG 301 HA -0.06 -0.11 0.52 -0.75 4.34 3.94 3h67A1 ARG 301 HB2 0.05 0.26 0.08 -0.04 1.90 2.25 3h67A1 ARG 301 HB3 -0.03 -0.05 0.07 -0.04 1.80 1.76 3h67A1 ARG 301 HG2 -0.11 0.05 0.08 -0.04 1.67 1.64 3h67A1 ARG 301 HG3 -0.05 -0.13 0.17 -0.04 1.67 1.63 3h67A1 ARG 301 HD2 0.06 0.24 0.09 -0.04 3.22 3.56 3h67A1 ARG 301 HD3 0.01 -0.08 0.02 -0.04 3.22 3.14 3h67A1 GLY 302 H -0.45 -0.06 0.32 -0.55 8.43 7.69 3h67A1 GLY 302 HA2 -0.59 0.36 0.86 -0.51 4.01 4.13 3h67A1 GLY 302 HA3 -0.86 -0.27 0.54 -0.51 4.01 2.91 3h67A1 ASN 303 H -0.73 0.28 0.23 -0.55 8.53 7.76 3h67A1 ASN 303 HA -0.35 0.19 0.46 -0.75 4.76 4.30 3h67A1 ASN 303 HB2 -1.30 -0.04 0.08 -0.04 2.88 1.57 3h67A1 ASN 303 HB3 -1.45 0.25 0.06 -0.04 2.79 1.61 3h67A1 ASN 303 HD21 -0.33 0.00 0.02 -0.04 7.03 6.68 3h67A1 ASN 303 HD22 -1.62 -0.01 -0.03 -0.04 7.74 6.04 3h67A1 HIS 304 H -0.25 -0.03 -0.15 -0.55 8.41 7.45 3h67A1 HIS 304 HA -0.03 0.16 0.70 -0.75 4.63 4.71 3h67A1 HIS 304 HB2 -0.22 -0.10 0.12 -0.04 3.26 3.03 3h67A1 HIS 304 HB3 -0.06 0.00 0.03 -0.04 3.20 3.13 3h67A1 HIS 304 HD2 -0.05 0.00 0.01 -0.04 6.97 6.88 3h67A1 HIS 304 HE1 -0.60 0.01 -0.00 -0.04 7.75 7.12 3h67A1 GLU 305 H -0.28 0.28 -0.28 -0.55 8.60 7.78 3h67A1 GLU 305 HA -0.45 0.06 0.77 -0.75 4.29 3.91 3h67A1 GLU 305 HB2 -0.32 0.06 0.27 -0.04 2.09 2.06 3h67A1 GLU 305 HB3 -0.49 0.15 0.22 -0.04 1.99 1.83 3h67A1 GLU 305 HG2 -0.44 0.15 0.06 -0.04 2.34 2.08 3h67A1 GLU 305 HG3 -1.19 0.01 0.02 -0.04 2.34 1.14 3h67A1 THR 306 H 0.13 0.41 -0.37 -0.55 8.28 7.91 3h67A1 THR 306 HA 0.19 0.26 0.78 -0.75 4.39 4.86 3h67A1 THR 306 HB 0.14 -0.09 0.11 -0.04 4.32 4.44 3h67A1 THR 306 HG23 0.07 0.04 -0.22 -0.04 1.22 1.06 3h67A1 ASP 307 H 0.18 0.25 0.14 -0.55 8.40 8.42 3h67A1 ASP 307 HA 0.35 0.05 0.42 -0.75 4.63 4.70 3h67A1 ASP 307 HB2 0.15 -0.01 0.15 -0.04 2.71 2.95 3h67A1 ASP 307 HB3 0.20 0.03 -0.02 -0.04 2.70 2.87 3h67A1 ASN 308 H 0.14 0.17 0.01 -0.55 8.53 8.31 3h67A1 ASN 308 HA 0.11 0.08 0.39 -0.75 4.76 4.58 3h67A1 ASN 308 HB2 0.15 -0.02 0.08 -0.04 2.88 3.04 3h67A1 ASN 308 HB3 0.13 0.08 -0.08 -0.04 2.79 2.88 3h67A1 ASN 308 HD21 0.05 0.03 0.00 -0.04 7.03 7.07 3h67A1 ASN 308 HD22 0.08 0.06 -0.01 -0.04 7.74 7.83 3h67A1 MET 309 H 0.17 0.13 -0.34 -0.55 8.47 7.89 3h67A1 MET 309 HA 0.30 0.10 0.46 -0.75 4.52 4.62 3h67A1 MET 309 HB2 0.07 0.08 0.14 -0.04 2.15 2.40 3h67A1 MET 309 HB3 -0.08 -0.06 0.04 -0.04 2.03 1.88 3h67A1 MET 309 HG2 0.19 -0.07 0.01 -0.04 2.63 2.71 3h67A1 MET 309 HG3 -0.11 0.22 -0.06 -0.04 2.56 2.57 3h67A1 MET 309 HE3 -0.19 -0.01 -0.04 -0.04 2.10 1.82 3h67A1 ASN 310 H 0.26 0.54 -0.02 -0.55 8.53 8.77 3h67A1 ASN 310 HA 0.33 -0.13 0.32 -0.75 4.76 4.53 3h67A1 ASN 310 HB2 0.42 0.16 0.13 -0.04 2.88 3.55 3h67A1 ASN 310 HB3 0.37 -0.23 0.02 -0.04 2.79 2.91 3h67A1 ASN 310 HD21 0.82 0.01 -0.08 -0.04 7.03 7.74 3h67A1 ASN 310 HD22 0.82 -0.02 -0.13 -0.04 7.74 8.37 3h67A1 GLN 311 H 0.14 0.56 -0.39 -0.55 8.47 8.24 3h67A1 GLN 311 HA -0.03 -0.04 0.35 -0.75 4.36 3.89 3h67A1 GLN 311 HB2 0.04 0.11 0.05 -0.04 2.15 2.31 3h67A1 GLN 311 HB3 0.01 -0.03 0.08 -0.04 2.02 2.04 3h67A1 GLN 311 HG2 0.14 1.15 0.13 -0.04 2.40 3.79 3h67A1 GLN 311 HG3 0.09 -0.08 -0.14 -0.04 2.39 2.22 3h67A1 GLN 311 HE21 -0.14 -0.03 -0.06 -0.04 6.97 6.70 3h67A1 GLN 311 HE22 -0.07 0.02 -0.02 -0.04 7.69 7.59 3h67A1 ILE 312 H 0.04 0.33 -0.24 -0.55 8.25 7.82 3h67A1 ILE 312 HA -0.12 0.14 0.58 -0.75 4.18 4.04 3h67A1 ILE 312 HB -0.45 0.05 0.19 -0.04 1.89 1.64 3h67A1 ILE 312 HG12 -0.12 -0.01 -0.00 -0.04 1.49 1.31 3h67A1 ILE 312 HG13 -0.05 0.14 0.07 -0.04 1.21 1.32 3h67A1 ILE 312 HG23 -0.82 -0.01 -0.14 -0.04 0.93 -0.08 3h67A1 ILE 312 HD13 -0.07 -0.01 -0.01 -0.04 0.88 0.75 3h67A1 TYR 313 H 0.16 0.47 0.15 -0.55 8.29 8.52 3h67A1 TYR 313 HA 0.10 0.27 0.70 -0.75 4.56 4.87 3h67A1 TYR 313 HB2 0.29 0.06 0.11 -0.04 3.06 3.47 3h67A1 TYR 313 HB3 0.18 -0.12 0.21 -0.04 2.98 3.21 3h67A1 TYR 313 HD2 0.14 0.02 0.08 -0.04 7.15 7.34 3h67A1 TYR 313 HE2 0.12 0.03 -0.01 -0.04 6.85 6.94 3h67A1 GLY 314 H 0.13 0.29 -0.22 -0.55 8.43 8.09 3h67A1 GLY 314 HA2 0.11 0.14 -0.12 -0.51 4.01 3.63 3h67A1 GLY 314 HA3 0.16 0.15 0.52 -0.51 4.01 4.32 3h67A1 PHE 315 H 0.30 0.18 -0.00 -0.55 8.34 8.27 3h67A1 PHE 315 HA -0.01 0.03 0.32 -0.75 4.62 4.20 3h67A1 PHE 315 HB2 0.12 -0.08 0.07 -0.04 3.15 3.21 3h67A1 PHE 315 HB3 0.16 0.06 0.07 -0.04 3.06 3.31 3h67A1 PHE 315 HD2 0.18 -0.02 -0.09 -0.04 7.28 7.31 3h67A1 PHE 315 HE2 -0.24 0.02 -0.21 -0.04 7.38 6.92 3h67A1 PHE 315 HZ -1.49 0.06 -0.09 -0.04 7.32 5.76 3h67A1 GLU 316 H 0.02 0.42 -0.04 -0.55 8.60 8.45 3h67A1 GLU 316 HA -0.79 0.03 0.42 -0.75 4.29 3.19 3h67A1 GLU 316 HB2 -0.54 -0.05 -0.15 -0.04 2.09 1.31 3h67A1 GLU 316 HB3 -0.24 0.14 -0.04 -0.04 1.99 1.81 3h67A1 GLU 316 HG2 -0.44 0.00 -0.24 -0.04 2.34 1.63 3h67A1 GLU 316 HG3 -1.48 -0.05 -0.02 -0.04 2.34 0.75 3h67A1 GLY 317 H -0.09 0.13 -0.26 -0.55 8.43 7.66 3h67A1 GLY 317 HA2 -0.09 0.03 0.46 -0.51 4.01 3.90 3h67A1 GLY 317 HA3 -0.01 0.36 0.30 -0.51 4.01 4.15 3h67A1 GLU 318 H -0.19 0.39 -0.27 -0.55 8.60 7.98 3h67A1 GLU 318 HA -0.91 0.13 0.52 -0.75 4.29 3.27 3h67A1 GLU 318 HB2 -0.38 0.05 0.06 -0.04 2.09 1.77 3h67A1 GLU 318 HB3 -0.27 -0.02 0.11 -0.04 1.99 1.77 3h67A1 GLU 318 HG2 -0.40 -0.02 -0.15 -0.04 2.34 1.73 3h67A1 GLU 318 HG3 -1.14 0.12 0.03 -0.04 2.34 1.31 3h67A1 VAL 319 H -0.47 0.60 -0.03 -0.55 8.24 7.78 3h67A1 VAL 319 HA -0.12 0.01 0.38 -0.75 4.13 3.64 3h67A1 VAL 319 HB -0.28 0.10 0.11 -0.04 2.12 2.01 3h67A1 VAL 319 HG13 0.23 0.01 -0.18 -0.04 0.97 0.98 3h67A1 VAL 319 HG23 -1.05 0.02 -0.01 -0.04 0.95 -0.13 3h67A1 LYS 320 H -0.18 0.51 -0.27 -0.55 8.42 7.92 3h67A1 LYS 320 HA -0.00 -0.11 0.09 -0.75 4.32 3.54 3h67A1 LYS 320 HB2 -0.09 0.14 0.08 -0.04 1.87 1.96 3h67A1 LYS 320 HB3 -0.04 -0.00 -0.05 -0.04 1.79 1.66 3h67A1 LYS 320 HG2 -0.02 -0.17 -0.12 -0.04 1.46 1.11 3h67A1 LYS 320 HG3 -0.13 0.05 -0.03 -0.04 1.46 1.31 3h67A1 LYS 320 HD2 -0.13 0.04 -0.14 -0.04 1.69 1.42 3h67A1 LYS 320 HD3 -0.05 0.02 -0.04 -0.04 1.68 1.57 3h67A1 LYS 320 HE2 -0.01 -0.10 0.00 -0.04 2.99 2.85 3h67A1 LYS 320 HE3 -0.13 -0.03 -0.04 -0.04 2.99 2.76 3h67A1 ALA 321 H -0.13 0.36 -0.33 -0.55 8.40 7.75 3h67A1 ALA 321 HA -0.02 0.05 0.37 -0.75 4.34 3.98 3h67A1 ALA 321 HB3 -0.02 0.00 0.10 -0.04 1.41 1.45 3h67A1 LYS 322 H -0.17 0.32 -0.18 -0.55 8.42 7.83 3h67A1 LYS 322 HA -0.19 0.16 0.76 -0.75 4.32 4.30 3h67A1 LYS 322 HB2 -0.26 -0.04 0.05 -0.04 1.87 1.58 3h67A1 LYS 322 HB3 -0.49 -0.07 0.00 -0.04 1.79 1.19 3h67A1 LYS 322 HG2 -0.15 0.04 -0.03 -0.04 1.46 1.28 3h67A1 LYS 322 HG3 -0.25 0.06 -0.03 -0.04 1.46 1.20 3h67A1 LYS 322 HD2 -0.19 -0.12 -0.07 -0.04 1.69 1.27 3h67A1 LYS 322 HD3 -0.15 -0.02 -0.05 -0.04 1.68 1.42 3h67A1 LYS 322 HE2 -0.05 0.08 -0.02 -0.04 2.99 2.96 3h67A1 LYS 322 HE3 -0.28 0.03 -0.00 -0.04 2.99 2.70 3h67A1 TYR 323 H -0.01 0.54 -0.17 -0.55 8.29 8.10 3h67A1 TYR 323 HA 0.00 0.15 0.84 -0.75 4.56 4.80 3h67A1 TYR 323 HB2 0.06 0.07 0.18 -0.04 3.06 3.33 3h67A1 TYR 323 HB3 0.04 -0.17 0.18 -0.04 2.98 3.00 3h67A1 TYR 323 HD2 0.07 -0.03 0.01 -0.04 7.15 7.16 3h67A1 TYR 323 HE2 0.10 -0.03 -0.06 -0.04 6.85 6.83 3h67A1 THR 324 H 0.21 0.05 0.19 -0.55 8.28 8.18 3h67A1 THR 324 HA 0.06 0.38 0.66 -0.75 4.39 4.73 3h67A1 THR 324 HB 0.05 -0.10 0.21 -0.04 4.32 4.44 3h67A1 THR 324 HG23 0.05 0.05 -0.16 -0.04 1.22 1.12 3h67A1 ALA 325 H 0.05 0.27 0.17 -0.55 8.40 8.34 3h67A1 ALA 325 HA 0.11 0.10 0.50 -0.75 4.34 4.29 3h67A1 ALA 325 HB3 0.06 0.04 0.10 -0.04 1.41 1.57 3h67A1 GLN 326 H 0.06 0.12 -0.10 -0.55 8.47 8.00 3h67A1 GLN 326 HA 0.05 0.12 0.40 -0.75 4.36 4.17 3h67A1 GLN 326 HB2 0.03 0.05 0.08 -0.04 2.15 2.26 3h67A1 GLN 326 HB3 0.03 -0.06 0.02 -0.04 2.02 1.97 3h67A1 GLN 326 HG2 0.02 0.01 -0.21 -0.04 2.40 2.18 3h67A1 GLN 326 HG3 0.03 0.01 -0.02 -0.04 2.39 2.36 3h67A1 GLN 326 HE21 -0.00 0.03 -0.03 -0.04 6.97 6.93 3h67A1 GLN 326 HE22 0.02 0.01 -0.04 -0.04 7.69 7.63 3h67A1 MET 327 H 0.07 0.06 -0.20 -0.55 8.47 7.85 3h67A1 MET 327 HA -0.02 0.09 0.55 -0.75 4.52 4.38 3h67A1 MET 327 HB2 0.01 -0.01 0.11 -0.04 2.15 2.23 3h67A1 MET 327 HB3 0.15 0.07 0.11 -0.04 2.03 2.32 3h67A1 MET 327 HG2 -0.25 0.04 -0.02 -0.04 2.63 2.35 3h67A1 MET 327 HG3 0.01 -0.01 -0.10 -0.04 2.56 2.41 3h67A1 MET 327 HE3 -0.51 0.03 0.03 -0.04 2.10 1.61 3h67A1 TYR 328 H 0.21 0.45 -0.21 -0.55 8.29 8.18 3h67A1 TYR 328 HA 0.18 -0.01 0.42 -0.75 4.56 4.40 3h67A1 TYR 328 HB2 -0.05 -0.02 0.07 -0.04 3.06 3.02 3h67A1 TYR 328 HB3 0.02 0.15 0.16 -0.04 2.98 3.27 3h67A1 TYR 328 HD2 -0.10 0.03 -0.06 -0.04 7.15 6.97 3h67A1 TYR 328 HE2 0.18 -0.01 -0.10 -0.04 6.85 6.87 3h67A1 GLU 329 H 0.06 0.51 -0.14 -0.55 8.60 8.48 3h67A1 GLU 329 HA -0.20 -0.00 0.39 -0.75 4.29 3.72 3h67A1 GLU 329 HB2 0.00 0.13 0.09 -0.04 2.09 2.27 3h67A1 GLU 329 HB3 -0.01 -0.02 0.02 -0.04 1.99 1.94 3h67A1 GLU 329 HG2 0.08 0.31 0.04 -0.04 2.34 2.73 3h67A1 GLU 329 HG3 0.05 -0.04 -0.03 -0.04 2.34 2.28 3h67A1 LEU 330 H -0.04 0.40 -0.21 -0.55 8.37 7.97 3h67A1 LEU 330 HA -0.07 0.06 0.49 -0.75 4.35 4.07 3h67A1 LEU 330 HB2 -0.05 0.01 0.10 -0.04 1.64 1.65 3h67A1 LEU 330 HB3 -0.16 0.08 0.17 -0.04 1.64 1.68 3h67A1 LEU 330 HG -0.28 -0.00 -0.19 -0.04 1.64 1.13 3h67A1 LEU 330 HD13 -0.13 -0.00 -0.03 -0.04 0.93 0.73 3h67A1 LEU 330 HD23 -0.21 -0.01 -0.02 -0.04 0.89 0.61 3h67A1 PHE 331 H -0.06 0.55 -0.08 -0.55 8.34 8.20 3h67A1 PHE 331 HA -0.16 0.01 0.37 -0.75 4.62 4.09 3h67A1 PHE 331 HB2 -0.17 0.14 0.16 -0.04 3.15 3.23 3h67A1 PHE 331 HB3 -0.31 -0.06 -0.10 -0.04 3.06 2.55 3h67A1 PHE 331 HD2 0.05 0.02 -0.11 -0.04 7.28 7.21 3h67A1 PHE 331 HE2 0.12 -0.01 -0.11 -0.04 7.38 7.33 3h67A1 PHE 331 HZ 0.18 -0.00 -0.06 -0.04 7.32 7.40 3h67A1 SER 332 H -0.32 0.54 -0.22 -0.55 8.46 7.91 3h67A1 SER 332 HA -0.12 -0.03 0.32 -0.75 4.49 3.90 3h67A1 SER 332 HB2 -0.51 -0.04 0.04 -0.04 3.95 3.39 3h67A1 SER 332 HB3 -0.22 0.14 0.11 -0.04 3.93 3.92 3h67A1 GLU 333 H -0.08 0.44 -0.19 -0.55 8.60 8.23 3h67A1 GLU 333 HA 0.02 0.02 0.42 -0.75 4.29 3.99 3h67A1 GLU 333 HB2 -0.00 0.09 0.13 -0.04 2.09 2.27 3h67A1 GLU 333 HB3 0.08 -0.01 -0.01 -0.04 1.99 2.01 3h67A1 GLU 333 HG2 0.01 -0.05 0.01 -0.04 2.34 2.27 3h67A1 GLU 333 HG3 -0.03 0.30 0.13 -0.04 2.34 2.70 3h67A1 VAL 334 H -0.01 0.54 -0.11 -0.55 8.24 8.10 3h67A1 VAL 334 HA 0.18 0.06 0.51 -0.75 4.13 4.13 3h67A1 VAL 334 HB 0.10 0.00 0.10 -0.04 2.12 2.29 3h67A1 VAL 334 HG13 -0.21 -0.01 -0.13 -0.04 0.97 0.58 3h67A1 VAL 334 HG23 -0.12 0.09 -0.02 -0.04 0.95 0.86 3h67A1 PHE 335 H 0.13 0.57 -0.14 -0.55 8.34 8.35 3h67A1 PHE 335 HA 0.26 -0.06 0.28 -0.75 4.62 4.34 3h67A1 PHE 335 HB2 0.14 0.15 0.09 -0.04 3.15 3.48 3h67A1 PHE 335 HB3 0.13 0.11 0.02 -0.04 3.06 3.28 3h67A1 PHE 335 HD2 0.30 0.01 -0.16 -0.04 7.28 7.39 3h67A1 PHE 335 HE2 0.19 -0.05 -0.09 -0.04 7.38 7.38 3h67A1 PHE 335 HZ -0.46 -0.10 -0.09 -0.04 7.32 6.63 3h67A1 GLU 336 H 0.15 0.29 -0.36 -0.55 8.60 8.14 3h67A1 GLU 336 HA -0.00 0.12 0.48 -0.75 4.29 4.14 3h67A1 GLU 336 HB2 -0.16 0.19 0.05 -0.04 2.09 2.13 3h67A1 GLU 336 HB3 -0.35 -0.14 -0.05 -0.04 1.99 1.40 3h67A1 GLU 336 HG2 -0.03 0.11 -0.11 -0.04 2.34 2.27 3h67A1 GLU 336 HG3 0.04 0.12 0.00 -0.04 2.34 2.46 3h67A1 TRP 337 H 0.22 0.42 -0.40 -0.55 7.97 7.67 3h67A1 TRP 337 HA 0.06 0.11 0.70 -0.75 4.62 4.74 3h67A1 TRP 337 HB2 0.03 0.07 0.09 -0.04 3.23 3.37 3h67A1 TRP 337 HB3 0.03 -0.02 -0.12 -0.04 3.23 3.07 3h67A1 TRP 337 HD1 -0.00 0.06 0.01 -0.04 7.22 7.25 3h67A1 TRP 337 HE1 -0.00 -0.09 -0.03 -0.04 10.20 10.03 3h67A1 TRP 337 HE3 0.03 0.12 0.02 -0.04 7.59 7.72 3h67A1 TRP 337 HZ2 0.01 -0.07 0.01 -0.04 7.44 7.34 3h67A1 TRP 337 HZ3 0.02 0.03 0.07 -0.04 7.13 7.21 3h67A1 TRP 337 HH2 0.01 -0.06 0.05 -0.04 7.19 7.15 3h67A1 LEU 338 H 0.25 0.29 -0.19 -0.55 8.37 8.17 3h67A1 LEU 338 HA 0.23 0.04 0.47 -0.75 4.35 4.33 3h67A1 LEU 338 HB2 0.17 0.14 0.19 -0.04 1.64 2.11 3h67A1 LEU 338 HB3 0.19 -0.04 -0.04 -0.04 1.64 1.72 3h67A1 LEU 338 HG 0.36 0.03 0.01 -0.04 1.64 2.00 3h67A1 LEU 338 HD13 0.27 -0.04 0.03 -0.04 0.93 1.15 3h67A1 LEU 338 HD23 0.36 -0.02 -0.13 -0.04 0.89 1.06 3h67A1 PRO 339 HA 0.12 0.11 0.63 -0.51 4.44 4.79 3h67A1 PRO 339 HB2 0.10 -0.08 0.09 -0.04 2.28 2.35 3h67A1 PRO 339 HB3 0.11 0.30 0.19 -0.04 2.02 2.58 3h67A1 PRO 339 HG2 0.14 -0.02 0.14 -0.04 2.03 2.25 3h67A1 PRO 339 HG3 0.14 0.05 0.14 -0.04 2.03 2.31 3h67A1 PRO 339 HD2 0.19 0.16 0.35 -0.04 3.68 4.34 3h67A1 PRO 339 HD3 0.18 0.22 0.30 -0.04 3.65 4.31 3h67A1 LEU 340 H 0.08 0.47 0.39 -0.55 8.37 8.76 3h67A1 LEU 340 HA 0.05 0.08 0.84 -0.75 4.35 4.57 3h67A1 LEU 340 HB2 0.07 0.04 0.06 -0.04 1.64 1.76 3h67A1 LEU 340 HB3 0.05 -0.11 0.10 -0.04 1.64 1.65 3h67A1 LEU 340 HG 0.06 0.08 0.06 -0.04 1.64 1.80 3h67A1 LEU 340 HD13 0.06 -0.02 0.00 -0.04 0.93 0.93 3h67A1 LEU 340 HD23 0.04 0.03 -0.05 -0.04 0.89 0.86 3h67A1 ALA 341 H 0.07 0.42 0.27 -0.55 8.40 8.61 3h67A1 ALA 341 HA 0.04 0.24 0.52 -0.75 4.34 4.39 3h67A1 ALA 341 HB3 0.06 -0.02 0.03 -0.04 1.41 1.44 3h67A1 GLN 342 H 0.02 0.49 0.31 -0.55 8.47 8.74 3h67A1 GLN 342 HA -0.00 0.25 0.99 -0.75 4.36 4.85 3h67A1 GLN 342 HB2 -0.00 0.02 -0.21 -0.04 2.15 1.92 3h67A1 GLN 342 HB3 -0.02 -0.04 -0.01 -0.04 2.02 1.90 3h67A1 GLN 342 HG2 -0.10 -0.06 -0.33 -0.04 2.40 1.88 3h67A1 GLN 342 HG3 -0.09 0.09 -0.08 -0.04 2.39 2.27 3h67A1 GLN 342 HE21 -1.11 0.04 -0.19 -0.04 6.97 5.67 3h67A1 GLN 342 HE22 -0.38 -0.04 -0.22 -0.04 7.69 7.00 3h67A1 CYS 343 H -0.02 0.68 0.32 -0.55 8.50 8.94 3h67A1 CYS 343 HA -0.03 0.41 1.24 -0.75 4.58 5.44 3h67A1 CYS 343 HB2 0.01 -0.03 -0.06 -0.04 2.97 2.85 3h67A1 CYS 343 HB3 -0.01 -0.03 0.13 -0.04 2.97 3.02 3h67A1 ILE 344 H -0.06 0.65 0.28 -0.55 8.25 8.57 3h67A1 ILE 344 HA -0.05 0.26 0.90 -0.75 4.18 4.53 3h67A1 ILE 344 HB -0.07 -0.04 0.14 -0.04 1.89 1.88 3h67A1 ILE 344 HG12 -0.07 0.06 -0.10 -0.04 1.49 1.34 3h67A1 ILE 344 HG13 -0.06 0.03 -0.14 -0.04 1.21 0.99 3h67A1 ILE 344 HG23 -0.04 0.01 -0.20 -0.04 0.93 0.66 3h67A1 ILE 344 HD13 -0.09 -0.01 -0.31 -0.04 0.88 0.43 3h67A1 ASN 345 H -0.03 0.67 0.34 -0.55 8.53 8.96 3h67A1 ASN 345 HA -0.02 0.03 0.36 -0.75 4.76 4.38 3h67A1 ASN 345 HB2 -0.02 0.08 -0.21 -0.04 2.88 2.69 3h67A1 ASN 345 HB3 -0.01 0.05 0.22 -0.04 2.79 3.00 3h67A1 ASN 345 HD21 -0.01 0.34 0.14 -0.04 7.03 7.46 3h67A1 ASN 345 HD22 -0.00 0.05 0.05 -0.04 7.74 7.80 3h67A1 GLY 346 H -0.02 0.07 -0.54 -0.55 8.43 7.39 3h67A1 GLY 346 HA2 -0.02 -0.03 0.18 -0.51 4.01 3.62 3h67A1 GLY 346 HA3 -0.02 0.07 0.26 -0.51 4.01 3.81 3h67A1 LYS 347 H -0.04 0.36 -0.34 -0.55 8.42 7.85 3h67A1 LYS 347 HA -0.02 0.25 1.12 -0.75 4.32 4.91 3h67A1 LYS 347 HB2 -0.02 0.06 -0.01 -0.04 1.87 1.86 3h67A1 LYS 347 HB3 -0.01 -0.11 -0.04 -0.04 1.79 1.60 3h67A1 LYS 347 HG2 -0.01 0.26 -0.14 -0.04 1.46 1.53 3h67A1 LYS 347 HG3 0.01 -0.09 -0.03 -0.04 1.46 1.31 3h67A1 LYS 347 HD2 0.01 -0.17 0.06 -0.04 1.69 1.54 3h67A1 LYS 347 HD3 -0.01 0.44 0.11 -0.04 1.68 2.18 3h67A1 LYS 347 HE2 0.00 -0.05 -0.01 -0.04 2.99 2.89 3h67A1 LYS 347 HE3 0.01 -0.11 -0.02 -0.04 2.99 2.83 3h67A1 VAL 348 H -0.09 0.35 0.22 -0.55 8.24 8.18 3h67A1 VAL 348 HA -0.34 0.32 1.05 -0.75 4.13 4.41 3h67A1 VAL 348 HB -0.17 -0.09 0.15 -0.04 2.12 1.98 3h67A1 VAL 348 HG13 -0.46 0.02 -0.14 -0.04 0.97 0.35 3h67A1 VAL 348 HG23 -0.35 0.02 -0.11 -0.04 0.95 0.46 3h67A1 LEU 349 H -0.11 0.47 0.30 -0.55 8.37 8.48 3h67A1 LEU 349 HA -0.01 0.23 1.00 -0.75 4.35 4.81 3h67A1 LEU 349 HB2 0.08 -0.01 -0.09 -0.04 1.64 1.58 3h67A1 LEU 349 HB3 0.09 -0.02 -0.01 -0.04 1.64 1.65 3h67A1 LEU 349 HG 0.06 0.03 -0.37 -0.04 1.64 1.32 3h67A1 LEU 349 HD13 0.07 0.03 -0.14 -0.04 0.93 0.84 3h67A1 LEU 349 HD23 0.31 -0.02 -0.18 -0.04 0.89 0.96 3h67A1 ILE 350 H 0.00 0.38 0.25 -0.55 8.25 8.33 3h67A1 ILE 350 HA -0.01 0.37 0.92 -0.75 4.18 4.71 3h67A1 ILE 350 HB -0.01 -0.05 0.11 -0.04 1.89 1.90 3h67A1 ILE 350 HG12 -0.04 0.02 -0.25 -0.04 1.49 1.19 3h67A1 ILE 350 HG13 -0.06 -0.04 -0.38 -0.04 1.21 0.69 3h67A1 ILE 350 HG23 0.02 0.01 -0.20 -0.04 0.93 0.71 3h67A1 ILE 350 HD13 -0.04 -0.01 -0.18 -0.04 0.88 0.61 3h67A1 MET 351 H -0.01 0.54 0.32 -0.55 8.47 8.77 3h67A1 MET 351 HA 0.01 0.15 0.46 -0.75 4.52 4.38 3h67A1 MET 351 HB2 -0.03 0.11 0.24 -0.04 2.15 2.43 3h67A1 MET 351 HB3 -0.02 -0.05 -0.04 -0.04 2.03 1.88 3h67A1 MET 351 HG2 -0.11 -0.03 -0.45 -0.04 2.63 2.00 3h67A1 MET 351 HG3 -0.18 0.11 -0.00 -0.04 2.56 2.44 3h67A1 MET 351 HE3 -0.12 -0.00 -0.28 -0.04 2.10 1.66 3h67A1 HIS 352 H 0.03 0.26 0.13 -0.55 8.41 8.29 3h67A1 HIS 352 HA -0.06 0.08 0.40 -0.75 4.63 4.30 3h67A1 HIS 352 HB2 -0.15 0.08 0.05 -0.04 3.26 3.20 3h67A1 HIS 352 HB3 -0.21 0.05 0.29 -0.04 3.20 3.29 3h67A1 HIS 352 HD2 -0.58 0.41 0.06 -0.04 6.97 6.81 3h67A1 HIS 352 HE1 -0.02 -0.10 0.08 -0.04 7.75 7.67 3h67A1 GLY 353 H -0.13 0.51 0.15 -0.55 8.43 8.41 3h67A1 GLY 353 HA2 -0.45 0.07 0.28 -0.51 4.01 3.40 3h67A1 GLY 353 HA3 -0.31 -0.10 -0.07 -0.51 4.01 3.03 3h67A1 GLY 354 H -0.20 0.34 0.14 -0.55 8.43 8.16 3h67A1 GLY 354 HA2 -0.14 0.03 0.10 -0.51 4.01 3.48 3h67A1 GLY 354 HA3 0.01 0.05 0.42 -0.51 4.01 3.98 3h67A1 LEU 355 H -1.23 0.08 -0.08 -0.55 8.37 6.59 3h67A1 LEU 355 HA -1.28 0.16 0.41 -0.75 4.35 2.89 3h67A1 LEU 355 HB2 -1.60 0.01 -0.05 -0.04 1.64 -0.04 3h67A1 LEU 355 HB3 -0.72 -0.11 0.08 -0.04 1.64 0.84 3h67A1 LEU 355 HG -0.67 -0.02 -0.13 -0.04 1.64 0.79 3h67A1 LEU 355 HD13 -0.23 0.01 -0.10 -0.04 0.93 0.57 3h67A1 LEU 355 HD23 -1.15 0.03 -0.21 -0.04 0.89 -0.48 3h67A1 PHE 356 H -0.30 0.14 0.05 -0.55 8.34 7.68 3h67A1 PHE 356 HA -0.11 0.15 0.28 -0.75 4.62 4.20 3h67A1 PHE 356 HB2 -0.07 0.14 0.05 -0.04 3.15 3.22 3h67A1 PHE 356 HB3 -0.03 -0.11 0.03 -0.04 3.06 2.91 3h67A1 PHE 356 HD2 -0.18 -0.06 -0.04 -0.04 7.28 6.96 3h67A1 PHE 356 HE2 -0.17 0.07 -0.07 -0.04 7.38 7.17 3h67A1 PHE 356 HZ -0.02 0.06 -0.11 -0.04 7.32 7.21 3h67A1 SER 357 H 0.16 0.11 0.08 -0.55 8.46 8.26 3h67A1 SER 357 HA 0.08 0.16 0.40 -0.75 4.49 4.37 3h67A1 SER 357 HB2 0.06 0.05 0.06 -0.04 3.95 4.08 3h67A1 SER 357 HB3 0.07 -0.01 0.02 -0.04 3.93 3.96 3h67A1 GLU 358 H 0.13 0.11 -0.34 -0.55 8.60 7.96 3h67A1 GLU 358 HA 0.06 0.13 0.69 -0.75 4.29 4.42 3h67A1 GLU 358 HB2 0.03 0.10 -0.25 -0.04 2.09 1.93 3h67A1 GLU 358 HB3 0.03 0.06 -0.01 -0.04 1.99 2.03 3h67A1 GLU 358 HG2 0.03 0.07 -0.11 -0.04 2.34 2.29 3h67A1 GLU 358 HG3 0.06 -0.10 -0.36 -0.04 2.34 1.89 3h67A1 ASP 359 H 0.05 0.14 0.09 -0.55 8.40 8.13 3h67A1 ASP 359 HA 0.10 0.07 0.41 -0.75 4.63 4.45 3h67A1 ASP 359 HB2 0.04 0.01 0.08 -0.04 2.71 2.79 3h67A1 ASP 359 HB3 0.05 0.05 0.03 -0.04 2.70 2.79 3h67A1 GLY 360 H 0.08 0.16 0.12 -0.55 8.43 8.24 3h67A1 GLY 360 HA2 0.00 0.06 0.25 -0.51 4.01 3.81 3h67A1 GLY 360 HA3 -0.00 0.13 0.37 -0.51 4.01 4.00 3h67A1 VAL 361 H 0.02 0.08 -0.15 -0.55 8.24 7.64 3h67A1 VAL 361 HA -0.14 0.08 0.64 -0.75 4.13 3.95 3h67A1 VAL 361 HB -0.41 -0.01 0.02 -0.04 2.12 1.68 3h67A1 VAL 361 HG13 -0.79 0.01 -0.14 -0.04 0.97 0.01 3h67A1 VAL 361 HG23 -0.44 0.02 -0.08 -0.04 0.95 0.41 3h67A1 THR 362 H -0.10 0.07 0.16 -0.55 8.28 7.87 3h67A1 THR 362 HA -0.16 0.33 0.88 -0.75 4.39 4.69 3h67A1 THR 362 HB -0.08 0.00 0.10 -0.04 4.32 4.30 3h67A1 THR 362 HG23 -0.08 0.08 -0.12 -0.04 1.22 1.07 3h67A1 LEU 363 H -0.08 0.28 0.10 -0.55 8.37 8.13 3h67A1 LEU 363 HA 0.05 0.10 0.39 -0.75 4.35 4.13 3h67A1 LEU 363 HB2 -0.03 0.01 0.10 -0.04 1.64 1.69 3h67A1 LEU 363 HB3 0.01 0.04 0.01 -0.04 1.64 1.65 3h67A1 LEU 363 HG -0.08 -0.01 0.06 -0.04 1.64 1.57 3h67A1 LEU 363 HD13 -0.03 0.04 -0.02 -0.04 0.93 0.88 3h67A1 LEU 363 HD23 0.08 -0.00 -0.09 -0.04 0.89 0.84 3h67A1 ASP 364 H -0.03 0.11 -0.17 -0.55 8.40 7.76 3h67A1 ASP 364 HA -0.00 0.12 0.36 -0.75 4.63 4.36 3h67A1 ASP 364 HB2 -0.02 0.03 0.07 -0.04 2.71 2.76 3h67A1 ASP 364 HB3 -0.02 -0.00 0.01 -0.04 2.70 2.64 3h67A1 ASP 365 H -0.03 0.03 -0.27 -0.55 8.40 7.57 3h67A1 ASP 365 HA -0.03 0.06 0.37 -0.75 4.63 4.28 3h67A1 ASP 365 HB2 -0.09 0.20 0.13 -0.04 2.71 2.90 3h67A1 ASP 365 HB3 -0.09 0.00 -0.04 -0.04 2.70 2.53 3h67A1 ILE 366 H 0.01 0.35 -0.33 -0.55 8.25 7.73 3h67A1 ILE 366 HA 0.04 0.02 0.40 -0.75 4.18 3.89 3h67A1 ILE 366 HB 0.07 0.12 0.09 -0.04 1.89 2.13 3h67A1 ILE 366 HG12 0.16 -0.04 -0.10 -0.04 1.49 1.47 3h67A1 ILE 366 HG13 0.05 0.06 -0.07 -0.04 1.21 1.20 3h67A1 ILE 366 HG23 0.10 -0.00 -0.20 -0.04 0.93 0.79 3h67A1 ILE 366 HD13 0.30 -0.01 -0.16 -0.04 0.88 0.97 3h67A1 ARG 367 H 0.03 0.45 -0.05 -0.55 8.46 8.33 3h67A1 ARG 367 HA 0.04 -0.12 0.38 -0.75 4.34 3.89 3h67A1 ARG 367 HB2 0.02 0.01 0.13 -0.04 1.90 2.02 3h67A1 ARG 367 HB3 0.02 0.12 0.11 -0.04 1.80 2.00 3h67A1 ARG 367 HG2 0.03 0.01 -0.02 -0.04 1.67 1.65 3h67A1 ARG 367 HG3 0.03 -0.06 0.15 -0.04 1.67 1.75 3h67A1 ARG 367 HD2 0.02 -0.00 0.03 -0.04 3.22 3.22 3h67A1 ARG 367 HD3 0.02 0.03 0.03 -0.04 3.22 3.26 3h67A1 LYS 368 H 0.02 0.27 -0.51 -0.55 8.42 7.64 3h67A1 LYS 368 HA 0.03 0.13 0.54 -0.75 4.32 4.26 3h67A1 LYS 368 HB2 0.00 0.03 0.06 -0.04 1.87 1.93 3h67A1 LYS 368 HB3 0.01 -0.07 0.09 -0.04 1.79 1.78 3h67A1 LYS 368 HG2 0.01 -0.01 -0.03 -0.04 1.46 1.40 3h67A1 LYS 368 HG3 0.01 0.03 -0.06 -0.04 1.46 1.41 3h67A1 LYS 368 HD2 -0.00 -0.03 -0.13 -0.04 1.69 1.49 3h67A1 LYS 368 HD3 0.00 -0.03 -0.03 -0.04 1.68 1.58 3h67A1 LYS 368 HE2 -0.00 -0.05 -0.04 -0.04 2.99 2.86 3h67A1 LYS 368 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 3h67A1 ILE 369 H 0.03 0.34 -0.26 -0.55 8.25 7.81 3h67A1 ILE 369 HA 0.02 -0.09 0.47 -0.75 4.18 3.83 3h67A1 ILE 369 HB 0.04 0.12 0.09 -0.04 1.89 2.11 3h67A1 ILE 369 HG12 0.02 -0.10 0.02 -0.04 1.49 1.39 3h67A1 ILE 369 HG13 0.03 0.22 0.18 -0.04 1.21 1.60 3h67A1 ILE 369 HG23 0.03 -0.03 -0.22 -0.04 0.93 0.66 3h67A1 ILE 369 HD13 0.08 -0.05 -0.10 -0.04 0.88 0.77 3h67A1 GLU 370 H 0.01 0.07 0.19 -0.55 8.60 8.33 3h67A1 GLU 370 HA 0.01 0.16 0.82 -0.75 4.29 4.53 3h67A1 GLU 370 HB2 0.01 0.04 0.15 -0.04 2.09 2.26 3h67A1 GLU 370 HB3 -0.01 -0.06 0.22 -0.04 1.99 2.10 3h67A1 GLU 370 HG2 -0.06 -0.02 -0.18 -0.04 2.34 2.04 3h67A1 GLU 370 HG3 -0.01 0.04 0.06 -0.04 2.34 2.40 3h67A1 ARG 371 H -0.04 0.25 0.12 -0.55 8.46 8.24 3h67A1 ARG 371 HA -0.03 0.05 0.30 -0.75 4.34 3.90 3h67A1 ARG 371 HB2 -0.00 0.02 0.08 -0.04 1.90 1.95 3h67A1 ARG 371 HB3 0.02 -0.02 -0.03 -0.04 1.80 1.73 3h67A1 ARG 371 HG2 0.01 -0.09 0.04 -0.04 1.67 1.59 3h67A1 ARG 371 HG3 -0.10 0.25 -0.28 -0.04 1.67 1.50 3h67A1 ARG 371 HD2 0.08 0.21 -0.04 -0.04 3.22 3.43 3h67A1 ARG 371 HD3 0.09 -0.19 0.04 -0.04 3.22 3.13 3h67A1 ASN 372 H -0.29 -0.04 -0.12 -0.55 8.53 7.54 3h67A1 ASN 372 HA -0.54 0.47 0.59 -0.75 4.76 4.53 3h67A1 ASN 372 HB2 -1.10 -0.05 0.03 -0.04 2.88 1.72 3h67A1 ASN 372 HB3 -2.02 0.10 0.03 -0.04 2.79 0.85 3h67A1 ASN 372 HD21 -0.05 -0.05 0.04 -0.04 7.03 6.93 3h67A1 ASN 372 HD22 -0.27 -0.01 0.05 -0.04 7.74 7.47 3h67A1 ARG 373 H -0.15 0.66 0.37 -0.55 8.46 8.78 3h67A1 ARG 373 HA -0.07 -0.04 0.58 -0.75 4.34 4.06 3h67A1 ARG 373 HB2 -0.03 -0.05 0.02 -0.04 1.90 1.81 3h67A1 ARG 373 HB3 -0.07 0.06 -0.42 -0.04 1.80 1.33 3h67A1 ARG 373 HG2 -0.07 -0.02 -0.45 -0.04 1.67 1.10 3h67A1 ARG 373 HG3 -0.02 0.02 -0.47 -0.04 1.67 1.17 3h67A1 ARG 373 HD2 -0.02 -0.04 -0.09 -0.04 3.22 3.02 3h67A1 ARG 373 HD3 -0.01 -0.04 -0.05 -0.04 3.22 3.09 3h67A1 GLN 374 H 0.01 0.04 0.13 -0.55 8.47 8.10 3h67A1 GLN 374 HA 0.06 0.16 0.82 -0.75 4.36 4.64 3h67A1 GLN 374 HB2 0.04 0.00 0.09 -0.04 2.15 2.25 3h67A1 GLN 374 HB3 0.07 -0.02 0.13 -0.04 2.02 2.16 3h67A1 GLN 374 HG2 0.04 0.01 0.08 -0.04 2.40 2.48 3h67A1 GLN 374 HG3 0.06 -0.05 0.07 -0.04 2.39 2.44 3h67A1 GLN 374 HE21 0.12 0.04 0.00 -0.04 6.97 7.10 3h67A1 GLN 374 HE22 0.05 0.05 -0.11 -0.04 7.69 7.64 3h67A1 PRO 375 HA 0.05 0.14 0.31 -0.51 4.44 4.43 3h67A1 PRO 375 HB2 0.14 0.07 -0.13 -0.04 2.28 2.32 3h67A1 PRO 375 HB3 0.10 0.07 -0.05 -0.04 2.02 2.10 3h67A1 PRO 375 HG2 0.20 -0.03 0.02 -0.04 2.03 2.18 3h67A1 PRO 375 HG3 0.16 0.07 0.02 -0.04 2.03 2.24 3h67A1 PRO 375 HD2 0.11 -0.11 0.21 -0.04 3.68 3.85 3h67A1 PRO 375 HD3 0.08 0.26 0.21 -0.04 3.65 4.16 3h67A1 PRO 376 HA 0.02 0.09 0.49 -0.51 4.44 4.53 3h67A1 PRO 376 HB2 0.02 -0.04 0.16 -0.04 2.28 2.37 3h67A1 PRO 376 HB3 0.02 0.05 0.15 -0.04 2.02 2.20 3h67A1 PRO 376 HG2 0.05 -0.04 -0.01 -0.04 2.03 1.98 3h67A1 PRO 376 HG3 0.03 0.03 0.09 -0.04 2.03 2.14 3h67A1 PRO 376 HD2 0.06 0.04 0.06 -0.04 3.68 3.80 3h67A1 PRO 376 HD3 0.03 0.25 0.15 -0.04 3.65 4.05 3h67A1 ASP 377 H -0.01 0.13 0.16 -0.55 8.40 8.13 3h67A1 ASP 377 HA -0.08 0.16 0.50 -0.75 4.63 4.45 3h67A1 ASP 377 HB2 -0.03 -0.03 0.09 -0.04 2.71 2.70 3h67A1 ASP 377 HB3 -0.06 0.03 0.14 -0.04 2.70 2.76 3h67A1 SER 378 H 0.00 0.20 -0.27 -0.55 8.46 7.84 3h67A1 SER 378 HA 0.00 0.08 0.52 -0.75 4.49 4.33 3h67A1 SER 378 HB2 0.01 -0.05 0.09 -0.04 3.95 3.96 3h67A1 SER 378 HB3 -0.01 0.11 -0.27 -0.04 3.93 3.72 3h67A1 GLY 379 H 0.05 0.10 0.10 -0.55 8.43 8.13 3h67A1 GLY 379 HA2 0.06 0.07 0.32 -0.51 4.01 3.94 3h67A1 GLY 379 HA3 0.05 0.26 0.81 -0.51 4.01 4.62 3h67A1 PRO 380 HA 0.44 0.01 0.33 -0.51 4.44 4.71 3h67A1 PRO 380 HB2 0.07 0.13 0.01 -0.04 2.28 2.44 3h67A1 PRO 380 HB3 -0.07 0.05 0.02 -0.04 2.02 1.99 3h67A1 PRO 380 HG2 -0.07 0.12 0.04 -0.04 2.03 2.07 3h67A1 PRO 380 HG3 -0.05 -0.01 0.03 -0.04 2.03 1.96 3h67A1 PRO 380 HD2 0.04 0.18 0.19 -0.04 3.68 4.05 3h67A1 PRO 380 HD3 0.04 0.09 0.21 -0.04 3.65 3.95 3h67A1 MET 381 H 0.09 0.16 -0.15 -0.55 8.47 8.02 3h67A1 MET 381 HA 0.11 0.13 0.39 -0.75 4.52 4.40 3h67A1 MET 381 HB2 0.06 0.03 0.05 -0.04 2.15 2.24 3h67A1 MET 381 HB3 0.06 -0.02 0.04 -0.04 2.03 2.07 3h67A1 MET 381 HG2 0.08 -0.03 -0.16 -0.04 2.63 2.47 3h67A1 MET 381 HG3 0.06 0.04 0.03 -0.04 2.56 2.65 3h67A1 MET 381 HE3 0.02 0.06 -0.06 -0.04 2.10 2.08 3h67A1 CYS 382 H 0.10 0.10 -0.53 -0.55 8.50 7.63 3h67A1 CYS 382 HA 0.21 0.13 0.24 -0.75 4.58 4.40 3h67A1 CYS 382 HB2 0.06 0.19 -0.26 -0.04 2.97 2.92 3h67A1 CYS 382 HB3 0.07 0.01 -0.20 -0.04 2.97 2.81 3h67A1 ASP 383 H 0.12 0.41 -0.12 -0.55 8.40 8.27 3h67A1 ASP 383 HA 0.06 -0.05 0.22 -0.75 4.63 4.11 3h67A1 ASP 383 HB2 0.10 0.04 0.06 -0.04 2.71 2.86 3h67A1 ASP 383 HB3 -0.29 0.34 -0.10 -0.04 2.70 2.61 3h67A1 LEU 384 H 0.01 0.50 -0.20 -0.55 8.37 8.14 3h67A1 LEU 384 HA -0.26 0.20 0.44 -0.75 4.35 3.98 3h67A1 LEU 384 HB2 0.05 0.11 0.14 -0.04 1.64 1.90 3h67A1 LEU 384 HB3 -0.01 0.05 0.07 -0.04 1.64 1.71 3h67A1 LEU 384 HG 0.21 -0.04 0.02 -0.04 1.64 1.79 3h67A1 LEU 384 HD13 0.17 -0.02 -0.10 -0.04 0.93 0.95 3h67A1 LEU 384 HD23 0.00 0.04 -0.01 -0.04 0.89 0.88 3h67A1 LEU 385 H 0.04 0.38 -0.32 -0.55 8.37 7.92 3h67A1 LEU 385 HA -0.15 -0.00 0.64 -0.75 4.35 4.08 3h67A1 LEU 385 HB2 0.07 0.12 0.03 -0.04 1.64 1.82 3h67A1 LEU 385 HB3 -0.30 -0.20 -0.06 -0.04 1.64 1.04 3h67A1 LEU 385 HG 0.02 0.19 0.04 -0.04 1.64 1.85 3h67A1 LEU 385 HD13 0.04 -0.00 -0.09 -0.04 0.93 0.83 3h67A1 LEU 385 HD23 -0.09 -0.05 -0.22 -0.04 0.89 0.49 3h67A1 TRP 386 H 0.07 0.29 -0.20 -0.55 7.97 7.58 3h67A1 TRP 386 HA -0.19 0.16 0.88 -0.75 4.62 4.71 3h67A1 TRP 386 HB2 0.00 0.09 -0.14 -0.04 3.23 3.14 3h67A1 TRP 386 HB3 0.07 -0.03 -0.18 -0.04 3.23 3.05 3h67A1 TRP 386 HD1 -0.01 0.13 -0.06 -0.04 7.22 7.23 3h67A1 TRP 386 HE1 -0.00 0.00 -0.05 -0.04 10.20 10.11 3h67A1 TRP 386 HE3 0.17 0.02 -0.00 -0.04 7.59 7.75 3h67A1 TRP 386 HZ2 -0.01 -0.04 -0.04 -0.04 7.44 7.32 3h67A1 TRP 386 HZ3 0.08 -0.00 -0.01 -0.04 7.13 7.15 3h67A1 TRP 386 HH2 0.02 -0.03 -0.04 -0.04 7.19 7.10 3h67A1 SER 387 H 0.05 0.45 0.09 -0.55 8.46 8.50 3h67A1 SER 387 HA 0.23 0.08 0.44 -0.75 4.49 4.48 3h67A1 SER 387 HB2 0.28 0.03 0.01 -0.04 3.95 4.22 3h67A1 SER 387 HB3 0.06 -0.20 0.06 -0.04 3.93 3.81 3h67A1 ASP 388 H 0.21 0.40 0.31 -0.55 8.40 8.78 3h67A1 ASP 388 HA 0.11 0.33 0.79 -0.75 4.63 5.10 3h67A1 ASP 388 HB2 0.00 -0.15 0.02 -0.04 2.71 2.54 3h67A1 ASP 388 HB3 -0.07 0.10 0.02 -0.04 2.70 2.71 3h67A1 PRO 389 HA -1.25 0.20 0.69 -0.51 4.44 3.57 3h67A1 PRO 389 HB2 -0.54 -0.03 -0.06 -0.04 2.28 1.62 3h67A1 PRO 389 HB3 -0.75 -0.00 0.05 -0.04 2.02 1.28 3h67A1 PRO 389 HG2 -0.25 -0.01 0.01 -0.04 2.03 1.74 3h67A1 PRO 389 HG3 -0.24 0.07 -0.04 -0.04 2.03 1.78 3h67A1 PRO 389 HD2 -0.12 0.13 0.20 -0.04 3.68 3.84 3h67A1 PRO 389 HD3 -0.08 0.24 0.10 -0.04 3.65 3.86 3h67A1 GLN 390 H -0.17 0.63 0.15 -0.55 8.47 8.54 3h67A1 GLN 390 HA -0.08 0.19 0.53 -0.75 4.36 4.25 3h67A1 GLN 390 HB2 -0.03 -0.05 -0.01 -0.04 2.15 2.02 3h67A1 GLN 390 HB3 -0.05 0.02 -0.08 -0.04 2.02 1.86 3h67A1 GLN 390 HG2 -0.05 -0.09 -0.66 -0.04 2.40 1.57 3h67A1 GLN 390 HG3 -0.02 0.11 -0.41 -0.04 2.39 2.03 3h67A1 GLN 390 HE21 0.01 -0.03 -0.50 -0.04 6.97 6.40 3h67A1 GLN 390 HE22 0.00 0.20 -0.52 -0.04 7.69 7.33 3h67A1 PRO 391 HA 0.07 0.06 0.51 -0.51 4.44 4.56 3h67A1 PRO 391 HB2 -0.00 0.02 -0.05 -0.04 2.28 2.21 3h67A1 PRO 391 HB3 -0.01 0.02 0.08 -0.04 2.02 2.07 3h67A1 PRO 391 HG2 -0.02 0.01 0.07 -0.04 2.03 2.05 3h67A1 PRO 391 HG3 -0.03 0.07 0.06 -0.04 2.03 2.09 3h67A1 PRO 391 HD2 -0.03 0.10 0.17 -0.04 3.68 3.88 3h67A1 PRO 391 HD3 -0.05 0.17 0.11 -0.04 3.65 3.84 3h67A1 GLN 392 H -0.01 0.09 -0.10 -0.55 8.47 7.90 3h67A1 GLN 392 HA -0.01 0.10 0.70 -0.75 4.36 4.39 3h67A1 GLN 392 HB2 -0.01 0.01 0.10 -0.04 2.15 2.21 3h67A1 GLN 392 HB3 -0.01 -0.02 0.06 -0.04 2.02 2.01 3h67A1 GLN 392 HG2 -0.01 0.07 -0.34 -0.04 2.40 2.09 3h67A1 GLN 392 HG3 -0.00 0.03 -0.07 -0.04 2.39 2.31 3h67A1 GLN 392 HE21 -0.01 0.00 -0.06 -0.04 6.97 6.86 3h67A1 GLN 392 HE22 -0.00 0.04 -0.09 -0.04 7.69 7.60 3h67A1 ASN 393 H -0.01 0.10 0.17 -0.55 8.53 8.24 3h67A1 ASN 393 HA -0.03 -0.12 0.53 -0.75 4.76 4.38 3h67A1 ASN 393 HB2 -0.01 0.03 0.15 -0.04 2.88 3.01 3h67A1 ASN 393 HB3 -0.00 0.02 0.01 -0.04 2.79 2.77 3h67A1 ASN 393 HD21 -0.01 0.04 0.04 -0.04 7.03 7.06 3h67A1 ASN 393 HD22 -0.01 0.03 0.05 -0.04 7.74 7.78 3h67A1 GLY 394 H 0.01 -0.02 0.22 -0.55 8.43 8.09 3h67A1 GLY 394 HA2 0.03 0.00 0.28 -0.51 4.01 3.80 3h67A1 GLY 394 HA3 0.02 0.28 0.88 -0.51 4.01 4.68 3h67A1 ARG 395 H 0.04 0.24 0.20 -0.55 8.46 8.39 3h67A1 ARG 395 HA 0.07 0.31 0.44 -0.75 4.34 4.40 3h67A1 ARG 395 HB2 0.05 -0.06 0.07 -0.04 1.90 1.93 3h67A1 ARG 395 HB3 0.07 0.08 0.06 -0.04 1.80 1.98 3h67A1 ARG 395 HG2 0.14 0.05 0.14 -0.04 1.67 1.96 3h67A1 ARG 395 HG3 0.08 -0.15 -0.21 -0.04 1.67 1.35 3h67A1 ARG 395 HD2 0.07 -0.02 -0.07 -0.04 3.22 3.15 3h67A1 ARG 395 HD3 0.08 0.01 -0.03 -0.04 3.22 3.24 3h67A1 SER 396 H 0.05 0.46 0.19 -0.55 8.46 8.61 3h67A1 SER 396 HA 0.02 0.17 0.89 -0.75 4.49 4.82 3h67A1 SER 396 HB2 0.02 -0.05 -0.03 -0.04 3.95 3.85 3h67A1 SER 396 HB3 0.01 0.09 0.04 -0.04 3.93 4.03 3h67A1 ILE 397 H 0.02 0.12 0.10 -0.55 8.25 7.94 3h67A1 ILE 397 HA 0.02 0.09 0.60 -0.75 4.18 4.14 3h67A1 ILE 397 HB 0.01 -0.03 0.09 -0.04 1.89 1.92 3h67A1 ILE 397 HG12 0.01 0.04 0.03 -0.04 1.49 1.54 3h67A1 ILE 397 HG13 0.02 -0.07 0.06 -0.04 1.21 1.17 3h67A1 ILE 397 HG23 0.00 0.04 -0.13 -0.04 0.93 0.80 3h67A1 ILE 397 HD13 0.01 0.00 0.02 -0.04 0.88 0.87 3h67A1 SER 398 H 0.02 0.35 0.15 -0.55 8.46 8.44 3h67A1 SER 398 HA 0.03 0.05 0.34 -0.75 4.49 4.15 3h67A1 SER 398 HB2 0.07 -0.02 -0.31 -0.04 3.95 3.65 3h67A1 SER 398 HB3 0.04 0.20 -0.17 -0.04 3.93 3.95 3h67A1 LYS 399 H 0.02 0.17 0.13 -0.55 8.42 8.18 3h67A1 LYS 399 HA 0.01 0.12 0.57 -0.75 4.32 4.27 3h67A1 LYS 399 HB2 0.01 0.01 0.02 -0.04 1.87 1.87 3h67A1 LYS 399 HB3 0.01 0.02 0.07 -0.04 1.79 1.85 3h67A1 LYS 399 HG2 0.00 0.01 0.04 -0.04 1.46 1.47 3h67A1 LYS 399 HG3 0.00 -0.00 0.07 -0.04 1.46 1.49 3h67A1 LYS 399 HD2 -0.01 0.01 0.01 -0.04 1.69 1.66 3h67A1 LYS 399 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.63 3h67A1 LYS 399 HE2 -0.02 0.00 0.01 -0.04 2.99 2.94 3h67A1 LYS 399 HE3 -0.01 -0.03 0.02 -0.04 2.99 2.94 3h67A1 ARG 400 H 0.05 0.04 -0.33 -0.55 8.46 7.67 3h67A1 ARG 400 HA 0.06 0.14 0.54 -0.75 4.34 4.33 3h67A1 ARG 400 HB2 0.13 0.05 -0.04 -0.04 1.90 2.00 3h67A1 ARG 400 HB3 0.20 0.01 0.07 -0.04 1.80 2.04 3h67A1 ARG 400 HG2 0.12 -0.01 -0.01 -0.04 1.67 1.73 3h67A1 ARG 400 HG3 0.10 -0.10 -0.01 -0.04 1.67 1.63 3h67A1 ARG 400 HD2 0.45 0.14 0.00 -0.04 3.22 3.76 3h67A1 ARG 400 HD3 0.50 -0.05 0.01 -0.04 3.22 3.64 3h67A1 GLY 401 H -0.01 0.30 -0.45 -0.55 8.43 7.73 3h67A1 GLY 401 HA2 -0.04 0.02 0.23 -0.51 4.01 3.71 3h67A1 GLY 401 HA3 -0.06 0.13 0.48 -0.51 4.01 4.04 3h67A1 VAL 402 H -0.11 0.17 -0.30 -0.55 8.24 7.45 3h67A1 VAL 402 HA -0.16 0.13 0.66 -0.75 4.13 4.01 3h67A1 VAL 402 HB -0.48 0.07 -0.09 -0.04 2.12 1.58 3h67A1 VAL 402 HG13 -1.00 0.02 -0.18 -0.04 0.97 -0.23 3h67A1 VAL 402 HG23 -0.50 0.03 -0.12 -0.04 0.95 0.31 3h67A1 SER 403 H -0.06 0.14 0.08 -0.55 8.46 8.08 3h67A1 SER 403 HA 0.03 -0.06 0.26 -0.75 4.49 3.97 3h67A1 SER 403 HB2 0.11 -0.01 -0.32 -0.04 3.95 3.69 3h67A1 SER 403 HB3 0.17 0.27 -0.26 -0.04 3.93 4.07 3h67A1 CYS 404 H 0.11 0.21 0.14 -0.55 8.50 8.42 3h67A1 CYS 404 HA 0.07 0.13 0.94 -0.75 4.58 4.96 3h67A1 CYS 404 HB2 0.08 0.18 0.07 -0.04 2.97 3.26 3h67A1 CYS 404 HB3 0.07 -0.08 -0.23 -0.04 2.97 2.70 3h67A1 GLN 405 H 0.07 0.53 0.18 -0.55 8.47 8.70 3h67A1 GLN 405 HA 0.05 0.52 0.81 -0.75 4.36 4.98 3h67A1 GLN 405 HB2 0.02 -0.15 0.03 -0.04 2.15 2.00 3h67A1 GLN 405 HB3 -0.04 0.05 -0.16 -0.04 2.02 1.83 3h67A1 GLN 405 HG2 0.00 0.11 -0.07 -0.04 2.40 2.39 3h67A1 GLN 405 HG3 0.03 -0.09 -0.16 -0.04 2.39 2.14 3h67A1 GLN 405 HE21 -0.03 -0.04 -0.02 -0.04 6.97 6.84 3h67A1 GLN 405 HE22 -0.05 0.16 -0.08 -0.04 7.69 7.68 3h67A1 PHE 406 H -0.25 0.57 0.23 -0.55 8.34 8.34 3h67A1 PHE 406 HA 0.03 0.20 1.04 -0.75 4.62 5.13 3h67A1 PHE 406 HB2 0.03 -0.05 -0.01 -0.04 3.15 3.08 3h67A1 PHE 406 HB3 0.02 0.05 -0.20 -0.04 3.06 2.89 3h67A1 PHE 406 HD2 0.05 0.06 -0.24 -0.04 7.28 7.11 3h67A1 PHE 406 HE2 0.03 0.09 -0.30 -0.04 7.38 7.16 3h67A1 PHE 406 HZ -0.06 0.15 -0.10 -0.04 7.32 7.27 3h67A1 GLY 407 H 0.09 0.50 0.31 -0.55 8.43 8.78 3h67A1 GLY 407 HA2 -0.08 0.39 0.49 -0.51 4.01 4.29 3h67A1 GLY 407 HA3 -0.05 0.02 0.40 -0.51 4.01 3.87 3h67A1 PRO 408 HA -0.83 0.09 0.45 -0.51 4.44 3.65 3h67A1 PRO 408 HB2 -0.12 0.05 0.01 -0.04 2.28 2.18 3h67A1 PRO 408 HB3 -0.24 -0.03 0.16 -0.04 2.02 1.87 3h67A1 PRO 408 HG2 -0.09 0.01 0.07 -0.04 2.03 1.98 3h67A1 PRO 408 HG3 -0.09 0.11 0.15 -0.04 2.03 2.16 3h67A1 PRO 408 HD2 -0.12 -0.02 -0.20 -0.04 3.68 3.30 3h67A1 PRO 408 HD3 -0.17 0.40 0.01 -0.04 3.65 3.85 3h67A1 ASP 409 H -0.08 0.08 -0.15 -0.55 8.40 7.70 3h67A1 ASP 409 HA 0.00 0.13 0.47 -0.75 4.63 4.47 3h67A1 ASP 409 HB2 0.02 0.06 0.03 -0.04 2.71 2.78 3h67A1 ASP 409 HB3 -0.00 0.06 0.10 -0.04 2.70 2.81 3h67A1 VAL 410 H 0.04 0.17 -0.27 -0.55 8.24 7.63 3h67A1 VAL 410 HA 0.10 0.02 0.30 -0.75 4.13 3.79 3h67A1 VAL 410 HB 0.27 0.23 0.07 -0.04 2.12 2.65 3h67A1 VAL 410 HG13 0.06 0.01 -0.18 -0.04 0.97 0.82 3h67A1 VAL 410 HG23 0.12 -0.02 0.04 -0.04 0.95 1.05 3h67A1 THR 411 H 0.14 0.37 -0.17 -0.55 8.28 8.07 3h67A1 THR 411 HA 0.19 0.01 0.34 -0.75 4.39 4.18 3h67A1 THR 411 HB 0.21 0.05 0.09 -0.04 4.32 4.63 3h67A1 THR 411 HG23 0.26 0.00 -0.18 -0.04 1.22 1.27 3h67A1 LYS 412 H 0.08 0.52 -0.07 -0.55 8.42 8.39 3h67A1 LYS 412 HA 0.10 0.08 0.40 -0.75 4.32 4.14 3h67A1 LYS 412 HB2 0.05 0.04 0.12 -0.04 1.87 2.04 3h67A1 LYS 412 HB3 0.04 0.02 0.16 -0.04 1.79 1.98 3h67A1 LYS 412 HG2 0.04 -0.02 -0.15 -0.04 1.46 1.29 3h67A1 LYS 412 HG3 0.05 0.02 0.03 -0.04 1.46 1.52 3h67A1 LYS 412 HD2 0.03 0.02 0.00 -0.04 1.69 1.71 3h67A1 LYS 412 HD3 0.02 -0.05 -0.01 -0.04 1.68 1.60 3h67A1 LYS 412 HE2 0.03 0.03 -0.00 -0.04 2.99 3.00 3h67A1 LYS 412 HE3 0.02 -0.03 -0.01 -0.04 2.99 2.93 3h67A1 ALA 413 H 0.09 0.46 -0.18 -0.55 8.40 8.22 3h67A1 ALA 413 HA 0.05 0.02 0.43 -0.75 4.34 4.09 3h67A1 ALA 413 HB3 0.07 -0.00 0.11 -0.04 1.41 1.55 3h67A1 PHE 414 H 0.24 0.54 -0.13 -0.55 8.34 8.44 3h67A1 PHE 414 HA 0.04 -0.03 0.39 -0.75 4.62 4.27 3h67A1 PHE 414 HB2 0.06 -0.08 0.10 -0.04 3.15 3.19 3h67A1 PHE 414 HB3 0.05 0.12 0.14 -0.04 3.06 3.33 3h67A1 PHE 414 HD2 0.08 -0.01 -0.12 -0.04 7.28 7.19 3h67A1 PHE 414 HE2 0.07 -0.02 -0.22 -0.04 7.38 7.18 3h67A1 PHE 414 HZ 0.16 -0.02 -0.21 -0.04 7.32 7.22 3h67A1 LEU 415 H 0.21 0.58 -0.09 -0.55 8.37 8.52 3h67A1 LEU 415 HA 0.04 -0.04 0.22 -0.75 4.35 3.81 3h67A1 LEU 415 HB2 0.11 0.05 0.08 -0.04 1.64 1.84 3h67A1 LEU 415 HB3 0.09 0.24 -0.10 -0.04 1.64 1.83 3h67A1 LEU 415 HG 0.25 0.07 -0.04 -0.04 1.64 1.87 3h67A1 LEU 415 HD13 0.17 0.04 -0.12 -0.04 0.93 0.99 3h67A1 LEU 415 HD23 0.20 -0.04 -0.34 -0.04 0.89 0.67 3h67A1 GLU 416 H 0.03 0.54 -0.13 -0.55 8.60 8.50 3h67A1 GLU 416 HA -0.00 0.05 0.45 -0.75 4.29 4.03 3h67A1 GLU 416 HB2 0.01 0.07 0.20 -0.04 2.09 2.33 3h67A1 GLU 416 HB3 0.00 -0.07 0.06 -0.04 1.99 1.94 3h67A1 GLU 416 HG2 0.02 -0.03 0.05 -0.04 2.34 2.34 3h67A1 GLU 416 HG3 0.04 0.22 0.11 -0.04 2.34 2.67 3h67A1 GLU 417 H -0.07 0.51 -0.06 -0.55 8.60 8.44 3h67A1 GLU 417 HA -0.06 -0.01 0.26 -0.75 4.29 3.73 3h67A1 GLU 417 HB2 -0.06 -0.03 0.12 -0.04 2.09 2.07 3h67A1 GLU 417 HB3 -0.18 0.09 0.11 -0.04 1.99 1.97 3h67A1 GLU 417 HG2 -0.12 -0.02 -0.16 -0.04 2.34 2.00 3h67A1 GLU 417 HG3 -0.07 -0.02 0.08 -0.04 2.34 2.29 3h67A1 ASN 418 H -0.22 0.39 -0.33 -0.55 8.53 7.83 3h67A1 ASN 418 HA -0.14 0.04 0.60 -0.75 4.76 4.49 3h67A1 ASN 418 HB2 -0.45 0.19 0.05 -0.04 2.88 2.63 3h67A1 ASN 418 HB3 -0.22 -0.07 0.06 -0.04 2.79 2.52 3h67A1 ASN 418 HD21 -0.78 0.23 0.12 -0.04 7.03 6.56 3h67A1 ASN 418 HD22 -1.43 0.36 0.08 -0.04 7.74 6.70 3h67A1 ASN 419 H -0.07 0.37 -0.23 -0.55 8.53 8.06 3h67A1 ASN 419 HA -0.02 0.03 0.38 -0.75 4.76 4.39 3h67A1 ASN 419 HB2 -0.04 -0.06 -0.15 -0.04 2.88 2.60 3h67A1 ASN 419 HB3 -0.03 0.14 0.24 -0.04 2.79 3.09 3h67A1 ASN 419 HD21 -0.01 -0.07 0.06 -0.04 7.03 6.97 3h67A1 ASN 419 HD22 -0.02 -0.01 0.09 -0.04 7.74 7.76 3h67A1 LEU 420 H -0.03 0.40 0.01 -0.55 8.37 8.21 3h67A1 LEU 420 HA -0.01 0.25 0.90 -0.75 4.35 4.74 3h67A1 LEU 420 HB2 0.03 -0.09 -0.08 -0.04 1.64 1.45 3h67A1 LEU 420 HB3 0.02 0.02 -0.07 -0.04 1.64 1.57 3h67A1 LEU 420 HG -0.05 0.16 -0.41 -0.04 1.64 1.30 3h67A1 LEU 420 HD13 0.05 -0.04 -0.19 -0.04 0.93 0.71 3h67A1 LEU 420 HD23 -0.01 0.04 -0.39 -0.04 0.89 0.49 3h67A1 ASP 421 H 0.01 0.67 0.36 -0.55 8.40 8.90 3h67A1 ASP 421 HA 0.10 0.11 0.81 -0.75 4.63 4.90 3h67A1 ASP 421 HB2 0.13 0.09 0.13 -0.04 2.71 3.03 3h67A1 ASP 421 HB3 0.26 -0.05 -0.04 -0.04 2.70 2.83 3h67A1 TYR 422 H -0.04 0.38 0.34 -0.55 8.29 8.41 3h67A1 TYR 422 HA 0.09 0.08 0.44 -0.75 4.56 4.42 3h67A1 TYR 422 HB2 0.07 0.05 0.22 -0.04 3.06 3.36 3h67A1 TYR 422 HB3 0.06 0.14 0.02 -0.04 2.98 3.16 3h67A1 TYR 422 HD2 0.04 0.06 -0.24 -0.04 7.15 6.97 3h67A1 TYR 422 HE2 0.00 -0.01 -0.14 -0.04 6.85 6.66 3h67A1 ILE 423 H 0.26 0.61 0.34 -0.55 8.25 8.91 3h67A1 ILE 423 HA -0.04 0.28 1.18 -0.75 4.18 4.84 3h67A1 ILE 423 HB 0.02 0.07 0.02 -0.04 1.89 1.96 3h67A1 ILE 423 HG12 0.16 0.15 0.16 -0.04 1.49 1.92 3h67A1 ILE 423 HG13 0.11 -0.03 -0.27 -0.04 1.21 0.99 3h67A1 ILE 423 HG23 0.09 -0.03 -0.16 -0.04 0.93 0.79 3h67A1 ILE 423 HD13 0.05 -0.02 -0.13 -0.04 0.88 0.74 3h67A1 ILE 424 H 0.01 0.59 0.35 -0.55 8.25 8.65 3h67A1 ILE 424 HA 0.15 0.15 0.96 -0.75 4.18 4.70 3h67A1 ILE 424 HB 0.02 -0.05 0.03 -0.04 1.89 1.85 3h67A1 ILE 424 HG12 0.31 0.03 -0.15 -0.04 1.49 1.65 3h67A1 ILE 424 HG13 -0.02 -0.04 -0.31 -0.04 1.21 0.80 3h67A1 ILE 424 HG23 0.10 0.00 -0.21 -0.04 0.93 0.78 3h67A1 ILE 424 HD13 0.08 -0.00 -0.15 -0.04 0.88 0.77 3h67A1 ARG 425 H 0.08 0.73 0.38 -0.55 8.46 9.10 3h67A1 ARG 425 HA -0.01 0.38 0.81 -0.75 4.34 4.77 3h67A1 ARG 425 HB2 -0.05 0.22 -0.08 -0.04 1.90 1.94 3h67A1 ARG 425 HB3 -0.01 -0.16 -0.24 -0.04 1.80 1.35 3h67A1 ARG 425 HG2 0.08 -0.14 -0.10 -0.04 1.67 1.48 3h67A1 ARG 425 HG3 0.05 0.05 -0.04 -0.04 1.67 1.69 3h67A1 ARG 425 HD2 0.00 -0.20 -0.18 -0.04 3.22 2.80 3h67A1 ARG 425 HD3 0.00 -0.01 -0.27 -0.04 3.22 2.90 3h67A1 SER 426 H -0.16 0.75 0.33 -0.55 8.46 8.84 3h67A1 SER 426 HA 0.04 0.14 1.01 -0.75 4.49 4.93 3h67A1 SER 426 HB2 -0.12 0.12 0.32 -0.04 3.95 4.23 3h67A1 SER 426 HB3 0.06 -0.34 0.40 -0.04 3.93 4.01 3h67A1 HIS 427 H 0.03 -0.01 0.22 -0.55 8.41 8.11 3h67A1 HIS 427 HA -0.06 -0.12 0.34 -0.75 4.63 4.03 3h67A1 HIS 427 HB2 -1.01 0.05 -0.23 -0.04 3.26 2.03 3h67A1 HIS 427 HB3 -0.27 0.34 -0.33 -0.04 3.20 2.90 3h67A1 HIS 427 HD2 -0.04 0.31 -0.14 -0.04 6.97 7.06 3h67A1 HIS 427 HE1 -0.54 -0.11 0.09 -0.04 7.75 7.15 3h67A1 GLU 428 H -0.06 0.26 -0.29 -0.55 8.60 7.96 3h67A1 GLU 428 HA -0.30 0.09 0.83 -0.75 4.29 4.16 3h67A1 GLU 428 HB2 -0.16 0.03 -0.02 -0.04 2.09 1.89 3h67A1 GLU 428 HB3 -0.23 0.02 -0.07 -0.04 1.99 1.67 3h67A1 GLU 428 HG2 -0.22 0.04 0.02 -0.04 2.34 2.13 3h67A1 GLU 428 HG3 -0.14 0.10 -0.27 -0.04 2.34 1.98 3h67A1 VAL 429 H -0.55 0.13 0.07 -0.55 8.24 7.34 3h67A1 VAL 429 HA -1.93 0.05 0.53 -0.75 4.13 2.03 3h67A1 VAL 429 HB -0.83 -0.02 0.08 -0.04 2.12 1.30 3h67A1 VAL 429 HG13 -0.28 -0.00 -0.04 -0.04 0.97 0.62 3h67A1 VAL 429 HG23 -0.37 0.00 -0.08 -0.04 0.95 0.46 3h67A1 LYS 430 H -0.44 0.23 0.13 -0.55 8.42 7.78 3h67A1 LYS 430 HA -0.22 0.18 0.77 -0.75 4.32 4.30 3h67A1 LYS 430 HB2 -0.15 -0.08 -0.16 -0.04 1.87 1.44 3h67A1 LYS 430 HB3 -0.22 0.03 -0.09 -0.04 1.79 1.47 3h67A1 LYS 430 HG2 -0.22 0.15 -0.55 -0.04 1.46 0.80 3h67A1 LYS 430 HG3 -0.14 -0.01 -0.36 -0.04 1.46 0.91 3h67A1 LYS 430 HD2 -0.19 -0.05 -0.10 -0.04 1.69 1.31 3h67A1 LYS 430 HD3 -0.20 0.15 -0.05 -0.04 1.68 1.53 3h67A1 LYS 430 HE2 -0.17 0.06 -0.22 -0.04 2.99 2.61 3h67A1 LYS 430 HE3 -0.14 -0.04 -0.14 -0.04 2.99 2.63 3h67A1 ALA 431 H -0.16 0.20 0.10 -0.55 8.40 8.00 3h67A1 ALA 431 HA -0.09 0.05 0.27 -0.75 4.34 3.82 3h67A1 ALA 431 HB3 -0.10 0.03 0.09 -0.04 1.41 1.39 3h67A1 GLU 432 H -0.21 0.05 -0.19 -0.55 8.60 7.71 3h67A1 GLU 432 HA -0.11 0.15 0.76 -0.75 4.29 4.34 3h67A1 GLU 432 HB2 -0.46 0.05 0.06 -0.04 2.09 1.70 3h67A1 GLU 432 HB3 -0.32 0.04 0.10 -0.04 1.99 1.77 3h67A1 GLU 432 HG2 -0.17 -0.08 -0.04 -0.04 2.34 2.01 3h67A1 GLU 432 HG3 -0.24 0.02 0.02 -0.04 2.34 2.09 3h67A1 GLY 433 H -0.10 0.35 -0.34 -0.55 8.43 7.79 3h67A1 GLY 433 HA2 0.07 0.13 0.26 -0.51 4.01 3.96 3h67A1 GLY 433 HA3 0.04 0.12 0.15 -0.51 4.01 3.81 3h67A1 TYR 434 H -0.29 0.11 -0.42 -0.55 8.29 7.14 3h67A1 TYR 434 HA -0.08 0.26 0.56 -0.75 4.56 4.55 3h67A1 TYR 434 HB2 -0.42 0.12 0.11 -0.04 3.06 2.83 3h67A1 TYR 434 HB3 -0.17 0.02 -0.23 -0.04 2.98 2.56 3h67A1 TYR 434 HD2 -0.63 0.05 -0.30 -0.04 7.15 6.24 3h67A1 TYR 434 HE2 -0.33 0.01 -0.10 -0.04 6.85 6.39 3h67A1 GLU 435 H -0.01 0.64 0.35 -0.55 8.60 9.04 3h67A1 GLU 435 HA -0.32 0.09 0.54 -0.75 4.29 3.85 3h67A1 GLU 435 HB2 -0.21 0.03 -0.08 -0.04 2.09 1.79 3h67A1 GLU 435 HB3 -0.12 0.00 -0.01 -0.04 1.99 1.82 3h67A1 GLU 435 HG2 -0.11 -0.03 -0.25 -0.04 2.34 1.90 3h67A1 GLU 435 HG3 -0.16 -0.01 0.04 -0.04 2.34 2.18 3h67A1 VAL 436 H -0.08 0.18 0.09 -0.55 8.24 7.88 3h67A1 VAL 436 HA 0.03 0.24 0.93 -0.75 4.13 4.58 3h67A1 VAL 436 HB 0.03 -0.04 0.13 -0.04 2.12 2.20 3h67A1 VAL 436 HG13 0.04 0.00 -0.12 -0.04 0.97 0.85 3h67A1 VAL 436 HG23 0.18 0.02 -0.12 -0.04 0.95 0.98 3h67A1 ALA 437 H -0.05 0.77 0.17 -0.55 8.40 8.74 3h67A1 ALA 437 HA -0.05 0.11 0.62 -0.75 4.34 4.27 3h67A1 ALA 437 HB3 -0.26 0.03 0.01 -0.04 1.41 1.15 3h67A1 HIS 438 H 0.15 0.20 0.16 -0.55 8.41 8.38 3h67A1 HIS 438 HA 0.01 0.07 0.37 -0.75 4.63 4.32 3h67A1 HIS 438 HB2 0.06 0.04 -0.17 -0.04 3.26 3.16 3h67A1 HIS 438 HB3 0.06 0.04 0.19 -0.04 3.20 3.45 3h67A1 HIS 438 HD2 -0.04 -0.02 0.10 -0.04 6.97 6.96 3h67A1 HIS 438 HE1 -0.37 0.14 -0.10 -0.04 7.75 7.37 3h67A1 GLY 439 H 0.07 0.07 -0.22 -0.55 8.43 7.81 3h67A1 GLY 439 HA2 0.03 0.03 0.24 -0.51 4.01 3.81 3h67A1 GLY 439 HA3 0.05 0.07 0.36 -0.51 4.01 3.98 3h67A1 GLY 440 H 0.05 0.25 -0.47 -0.55 8.43 7.71 3h67A1 GLY 440 HA2 0.01 -0.03 0.24 -0.51 4.01 3.71 3h67A1 GLY 440 HA3 0.01 0.20 0.69 -0.51 4.01 4.39 3h67A1 ARG 441 H 0.12 0.31 -0.18 -0.55 8.46 8.16 3h67A1 ARG 441 HA 0.18 0.20 0.59 -0.75 4.34 4.56 3h67A1 ARG 441 HB2 0.21 -0.02 0.11 -0.04 1.90 2.16 3h67A1 ARG 441 HB3 0.20 -0.08 0.05 -0.04 1.80 1.93 3h67A1 ARG 441 HG2 0.10 0.02 -0.07 -0.04 1.67 1.68 3h67A1 ARG 441 HG3 0.11 -0.09 0.03 -0.04 1.67 1.69 3h67A1 ARG 441 HD2 0.16 0.04 0.10 -0.04 3.22 3.48 3h67A1 ARG 441 HD3 0.11 0.04 -0.02 -0.04 3.22 3.31 3h67A1 CYS 442 H 0.09 0.34 -0.29 -0.55 8.50 8.08 3h67A1 CYS 442 HA 0.15 0.25 0.97 -0.75 4.58 5.20 3h67A1 CYS 442 HB2 0.18 -0.02 -0.23 -0.04 2.97 2.85 3h67A1 CYS 442 HB3 -0.24 -0.16 -0.07 -0.04 2.97 2.45 3h67A1 VAL 443 H 0.18 0.69 0.25 -0.55 8.24 8.81 3h67A1 VAL 443 HA 0.11 0.12 0.87 -0.75 4.13 4.47 3h67A1 VAL 443 HB 0.26 0.03 0.22 -0.04 2.12 2.58 3h67A1 VAL 443 HG13 0.35 -0.01 -0.19 -0.04 0.97 1.07 3h67A1 VAL 443 HG23 0.14 0.00 -0.04 -0.04 0.95 1.01 3h67A1 THR 444 H 0.06 0.55 0.37 -0.55 8.28 8.70 3h67A1 THR 444 HA 0.06 0.44 0.97 -0.75 4.39 5.11 3h67A1 THR 444 HB -0.03 -0.18 0.12 -0.04 4.32 4.18 3h67A1 THR 444 HG23 -0.02 0.01 -0.21 -0.04 1.22 0.97 3h67A1 VAL 445 H 0.12 0.74 0.37 -0.55 8.24 8.92 3h67A1 VAL 445 HA 0.21 0.19 0.86 -0.75 4.13 4.64 3h67A1 VAL 445 HB 0.23 -0.01 -0.10 -0.04 2.12 2.20 3h67A1 VAL 445 HG13 0.11 -0.00 -0.20 -0.04 0.97 0.84 3h67A1 VAL 445 HG23 0.20 -0.01 -0.17 -0.04 0.95 0.93 3h67A1 PHE 446 H 0.22 0.73 0.32 -0.55 8.34 9.06 3h67A1 PHE 446 HA 0.03 -0.08 0.98 -0.75 4.62 4.80 3h67A1 PHE 446 HB2 -0.04 0.14 -0.17 -0.04 3.15 3.04 3h67A1 PHE 446 HB3 -0.04 0.02 0.13 -0.04 3.06 3.14 3h67A1 PHE 446 HD2 -0.05 0.05 -0.06 -0.04 7.28 7.18 3h67A1 PHE 446 HE2 -0.10 0.05 -0.05 -0.04 7.38 7.24 3h67A1 PHE 446 HZ -0.66 -0.02 -0.06 -0.04 7.32 6.54 3h67A1 SER 447 H -0.38 0.23 0.06 -0.55 8.46 7.83 3h67A1 SER 447 HA 0.05 0.16 0.76 -0.75 4.49 4.71 3h67A1 SER 447 HB2 0.09 0.21 -0.23 -0.04 3.95 3.97 3h67A1 SER 447 HB3 0.29 -0.01 0.10 -0.04 3.93 4.26 3h67A1 ALA 448 H -0.67 0.03 -0.22 -0.55 8.40 7.00 3h67A1 ALA 448 HA 0.04 0.22 0.86 -0.75 4.34 4.70 3h67A1 ALA 448 HB3 -0.11 -0.04 -0.10 -0.04 1.41 1.12 3h67A1 PRO 449 HA 0.02 0.19 0.16 -0.51 4.44 4.31 3h67A1 PRO 449 HB2 0.02 -0.09 -0.10 -0.04 2.28 2.07 3h67A1 PRO 449 HB3 -0.22 0.10 -0.07 -0.04 2.02 1.79 3h67A1 PRO 449 HG2 0.16 -0.06 -0.05 -0.04 2.03 2.04 3h67A1 PRO 449 HG3 0.24 0.13 -0.23 -0.04 2.03 2.13 3h67A1 PRO 449 HD2 0.16 0.07 0.17 -0.04 3.68 4.04 3h67A1 PRO 449 HD3 0.01 0.26 -0.22 -0.04 3.65 3.66 3h67A1 ASN 450 H 0.07 0.84 0.15 -0.55 8.53 9.05 3h67A1 ASN 450 HA 0.08 -0.24 0.33 -0.75 4.76 4.18 3h67A1 ASN 450 HB2 0.06 0.05 -0.07 -0.04 2.88 2.88 3h67A1 ASN 450 HB3 0.09 0.10 -0.03 -0.04 2.79 2.91 3h67A1 ASN 450 HD21 0.04 0.19 -0.13 -0.04 7.03 7.08 3h67A1 ASN 450 HD22 0.06 0.02 -0.03 -0.04 7.74 7.76 3h67A1 TYR 451 H 0.28 0.14 -0.15 -0.55 8.29 8.01 3h67A1 TYR 451 HA 0.11 0.09 0.24 -0.75 4.56 4.24 3h67A1 TYR 451 HB2 0.34 0.28 0.05 -0.04 3.06 3.69 3h67A1 TYR 451 HB3 0.13 -0.10 0.10 -0.04 2.98 3.07 3h67A1 TYR 451 HD2 0.07 0.00 -0.06 -0.04 7.15 7.12 3h67A1 TYR 451 HE2 -0.21 0.02 -0.05 -0.04 6.85 6.56 3h67A1 CYS 452 H -0.29 0.17 0.16 -0.55 8.50 8.00 3h67A1 CYS 452 HA -0.24 0.02 0.33 -0.75 4.58 3.94 3h67A1 CYS 452 HB2 -0.50 0.09 -0.20 -0.04 2.97 2.31 3h67A1 CYS 452 HB3 -0.24 0.06 0.23 -0.04 2.97 2.98 3h67A1 ASP 453 H 0.02 0.37 -0.13 -0.55 8.40 8.12 3h67A1 ASP 453 HA 0.07 0.07 0.28 -0.75 4.63 4.30 3h67A1 ASP 453 HB2 0.03 0.18 0.00 -0.04 2.71 2.88 3h67A1 ASP 453 HB3 0.06 -0.01 0.22 -0.04 2.70 2.92 3h67A1 GLN 454 H -0.00 0.34 -0.54 -0.55 8.47 7.72 3h67A1 GLN 454 HA 0.01 0.23 0.99 -0.75 4.36 4.84 3h67A1 GLN 454 HB2 -0.02 0.05 -0.06 -0.04 2.15 2.08 3h67A1 GLN 454 HB3 0.00 -0.05 -0.09 -0.04 2.02 1.84 3h67A1 GLN 454 HG2 -0.00 -0.03 -0.03 -0.04 2.40 2.30 3h67A1 GLN 454 HG3 -0.01 0.10 -0.34 -0.04 2.39 2.10 3h67A1 GLN 454 HE21 -0.01 -0.05 -0.01 -0.04 6.97 6.86 3h67A1 GLN 454 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.64 3h67A1 MET 455 H 0.07 0.26 -0.04 -0.55 8.47 8.20 3h67A1 MET 455 HA 0.04 0.00 0.19 -0.75 4.52 4.00 3h67A1 MET 455 HB2 0.18 -0.12 0.14 -0.04 2.15 2.31 3h67A1 MET 455 HB3 0.07 -0.03 0.01 -0.04 2.03 2.03 3h67A1 MET 455 HG2 0.30 0.10 -0.01 -0.04 2.63 2.98 3h67A1 MET 455 HG3 0.17 -0.04 -0.00 -0.04 2.56 2.65 3h67A1 MET 455 HE3 0.03 -0.02 -0.20 -0.04 2.10 1.87 3h67A1 GLY 456 H 0.05 -0.01 -0.18 -0.55 8.43 7.74 3h67A1 GLY 456 HA2 0.02 0.02 0.24 -0.51 4.01 3.78 3h67A1 GLY 456 HA3 0.01 0.16 0.46 -0.51 4.01 4.13 3h67A1 ASN 457 H 0.05 -0.15 -0.33 -0.55 8.53 7.54 3h67A1 ASN 457 HA -0.02 0.19 0.51 -0.75 4.76 4.69 3h67A1 ASN 457 HB2 -0.02 0.37 0.03 -0.04 2.88 3.23 3h67A1 ASN 457 HB3 -0.02 -0.07 -0.07 -0.04 2.79 2.58 3h67A1 ASN 457 HD21 0.33 0.31 -0.03 -0.04 7.03 7.61 3h67A1 ASN 457 HD22 0.17 0.51 -0.14 -0.04 7.74 8.24 3h67A1 LYS 458 H -0.04 0.50 0.33 -0.55 8.42 8.66 3h67A1 LYS 458 HA -0.07 0.04 0.79 -0.75 4.32 4.32 3h67A1 LYS 458 HB2 -0.05 -0.05 -0.05 -0.04 1.87 1.68 3h67A1 LYS 458 HB3 -0.07 0.11 0.15 -0.04 1.79 1.94 3h67A1 LYS 458 HG2 -0.02 -0.03 0.04 -0.04 1.46 1.40 3h67A1 LYS 458 HG3 -0.03 0.01 0.16 -0.04 1.46 1.56 3h67A1 LYS 458 HD2 -0.03 -0.01 0.10 -0.04 1.69 1.71 3h67A1 LYS 458 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.64 3h67A1 LYS 458 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.94 3h67A1 LYS 458 HE3 -0.03 0.03 0.05 -0.04 2.99 3.00 3h67A1 ALA 459 H -0.35 0.62 0.32 -0.55 8.40 8.43 3h67A1 ALA 459 HA -0.06 0.18 0.67 -0.75 4.34 4.37 3h67A1 ALA 459 HB3 -0.65 -0.03 -0.13 -0.04 1.41 0.56 3h67A1 SER 460 H 0.04 0.54 0.35 -0.55 8.46 8.84 3h67A1 SER 460 HA 0.08 0.23 0.52 -0.75 4.49 4.57 3h67A1 SER 460 HB2 0.06 0.03 -0.03 -0.04 3.95 3.97 3h67A1 SER 460 HB3 0.11 -0.00 -0.13 -0.04 3.93 3.86 3h67A1 TYR 461 H -0.25 0.53 0.34 -0.55 8.29 8.36 3h67A1 TYR 461 HA 0.13 0.17 0.55 -0.75 4.56 4.66 3h67A1 TYR 461 HB2 0.04 0.06 0.02 -0.04 3.06 3.14 3h67A1 TYR 461 HB3 0.11 -0.04 0.10 -0.04 2.98 3.11 3h67A1 TYR 461 HD2 0.04 -0.01 -0.25 -0.04 7.15 6.89 3h67A1 TYR 461 HE2 -0.31 -0.01 -0.13 -0.04 6.85 6.36 3h67A1 ILE 462 H 0.17 0.65 0.30 -0.55 8.25 8.82 3h67A1 ILE 462 HA -0.12 0.35 1.03 -0.75 4.18 4.69 3h67A1 ILE 462 HB 0.03 -0.04 0.12 -0.04 1.89 1.95 3h67A1 ILE 462 HG12 -0.46 0.00 -0.17 -0.04 1.49 0.82 3h67A1 ILE 462 HG13 0.11 -0.07 -0.28 -0.04 1.21 0.93 3h67A1 ILE 462 HG23 -0.14 -0.03 -0.23 -0.04 0.93 0.49 3h67A1 ILE 462 HD13 0.14 0.00 -0.15 -0.04 0.88 0.83 3h67A1 HIS 463 H 0.00 0.56 0.34 -0.55 8.41 8.76 3h67A1 HIS 463 HA 0.01 0.32 1.19 -0.75 4.63 5.39 3h67A1 HIS 463 HB2 0.12 -0.06 0.13 -0.04 3.26 3.41 3h67A1 HIS 463 HB3 0.03 0.02 -0.08 -0.04 3.20 3.12 3h67A1 HIS 463 HD2 0.07 0.06 -0.13 -0.04 6.97 6.92 3h67A1 HIS 463 HE1 -0.14 0.00 -0.05 -0.04 7.75 7.52 3h67A1 LEU 464 H 0.02 0.64 0.30 -0.55 8.37 8.78 3h67A1 LEU 464 HA 0.01 0.25 0.73 -0.75 4.35 4.59 3h67A1 LEU 464 HB2 -0.01 -0.07 -0.10 -0.04 1.64 1.42 3h67A1 LEU 464 HB3 0.01 0.03 -0.08 -0.04 1.64 1.56 3h67A1 LEU 464 HG 0.00 -0.03 -0.28 -0.04 1.64 1.29 3h67A1 LEU 464 HD13 -0.02 -0.01 -0.16 -0.04 0.93 0.69 3h67A1 LEU 464 HD23 0.05 0.07 -0.26 -0.04 0.89 0.71 3h67A1 GLN 465 H 0.00 0.50 0.13 -0.55 8.47 8.55 3h67A1 GLN 465 HA -0.03 0.29 1.05 -0.75 4.36 4.92 3h67A1 GLN 465 HB2 -0.01 -0.21 -0.04 -0.04 2.15 1.86 3h67A1 GLN 465 HB3 -0.02 0.09 0.03 -0.04 2.02 2.07 3h67A1 GLN 465 HG2 0.01 -0.12 -0.36 -0.04 2.40 1.88 3h67A1 GLN 465 HG3 0.01 0.07 0.00 -0.04 2.39 2.43 3h67A1 GLN 465 HE21 -0.02 -0.01 -0.09 -0.04 6.97 6.81 3h67A1 GLN 465 HE22 -0.04 0.06 -0.11 -0.04 7.69 7.56 3h67A1 GLY 466 H -0.01 0.67 0.15 -0.55 8.43 8.69 3h67A1 GLY 466 HA2 -0.01 -0.00 0.15 -0.51 4.01 3.64 3h67A1 GLY 466 HA3 -0.01 0.23 0.02 -0.51 4.01 3.75 3h67A1 SER 467 H -0.00 0.13 -0.35 -0.55 8.46 7.68 3h67A1 SER 467 HA 0.00 0.09 0.51 -0.75 4.49 4.34 3h67A1 SER 467 HB2 0.00 -0.05 0.10 -0.04 3.95 3.97 3h67A1 SER 467 HB3 -0.00 0.06 0.12 -0.04 3.93 4.06 3h67A1 ASP 468 H 0.00 0.39 -0.43 -0.55 8.40 7.82 3h67A1 ASP 468 HA 0.01 0.04 0.55 -0.75 4.63 4.48 3h67A1 ASP 468 HB2 0.00 0.10 -0.14 -0.04 2.71 2.64 3h67A1 ASP 468 HB3 0.00 -0.03 0.05 -0.04 2.70 2.68 3h67A1 LEU 469 H 0.03 0.14 0.02 -0.55 8.37 8.02 3h67A1 LEU 469 HA 0.04 0.10 0.48 -0.75 4.35 4.21 3h67A1 LEU 469 HB2 0.07 -0.01 0.01 -0.04 1.64 1.68 3h67A1 LEU 469 HB3 0.06 -0.02 0.06 -0.04 1.64 1.70 3h67A1 LEU 469 HG 0.02 0.04 -0.12 -0.04 1.64 1.53 3h67A1 LEU 469 HD13 0.00 -0.00 -0.07 -0.04 0.93 0.82 3h67A1 LEU 469 HD23 -0.00 -0.02 -0.21 -0.04 0.89 0.62 3h67A1 ARG 470 H 0.02 -0.01 -0.38 -0.55 8.46 7.54 3h67A1 ARG 470 HA -0.04 0.11 0.50 -0.75 4.34 4.15 3h67A1 ARG 470 HB2 -0.04 -0.04 0.00 -0.04 1.90 1.79 3h67A1 ARG 470 HB3 -0.10 0.08 0.01 -0.04 1.80 1.76 3h67A1 ARG 470 HG2 -0.05 0.05 -0.02 -0.04 1.67 1.62 3h67A1 ARG 470 HG3 0.01 -0.11 -0.04 -0.04 1.67 1.49 3h67A1 ARG 470 HD2 -0.04 0.02 -0.01 -0.04 3.22 3.15 3h67A1 ARG 470 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 3h67A1 PRO 471 HA -0.19 0.16 0.36 -0.51 4.44 4.25 3h67A1 PRO 471 HB2 -1.07 -0.03 -0.14 -0.04 2.28 1.00 3h67A1 PRO 471 HB3 -0.21 0.02 -0.01 -0.04 2.02 1.79 3h67A1 PRO 471 HG2 -0.29 -0.03 0.06 -0.04 2.03 1.73 3h67A1 PRO 471 HG3 -0.29 0.03 0.02 -0.04 2.03 1.76 3h67A1 PRO 471 HD2 -0.31 0.03 0.18 -0.04 3.68 3.54 3h67A1 PRO 471 HD3 -0.54 0.18 0.17 -0.04 3.65 3.41 3h67A1 GLN 472 H -0.27 0.52 0.31 -0.55 8.47 8.48 3h67A1 GLN 472 HA -0.36 0.10 0.84 -0.75 4.36 4.19 3h67A1 GLN 472 HB2 -0.09 -0.04 0.20 -0.04 2.15 2.18 3h67A1 GLN 472 HB3 -0.23 -0.01 0.05 -0.04 2.02 1.79 3h67A1 GLN 472 HG2 -0.10 -0.02 -0.05 -0.04 2.40 2.19 3h67A1 GLN 472 HG3 -0.08 0.20 -0.11 -0.04 2.39 2.35 3h67A1 GLN 472 HE21 0.05 -0.06 -0.07 -0.04 6.97 6.84 3h67A1 GLN 472 HE22 0.02 0.13 -0.06 -0.04 7.69 7.74 3h67A1 PHE 473 H -0.36 0.16 0.09 -0.55 8.34 7.67 3h67A1 PHE 473 HA -0.36 0.22 0.78 -0.75 4.62 4.51 3h67A1 PHE 473 HB2 -0.63 -0.04 0.06 -0.04 3.15 2.51 3h67A1 PHE 473 HB3 -0.64 0.03 -0.10 -0.04 3.06 2.32 3h67A1 PHE 473 HD2 -0.38 0.03 -0.11 -0.04 7.28 6.78 3h67A1 PHE 473 HE2 -0.09 0.02 -0.12 -0.04 7.38 7.15 3h67A1 PHE 473 HZ -0.04 0.00 -0.11 -0.04 7.32 7.13 3h67A1 HIS 474 H -0.26 0.78 0.37 -0.55 8.41 8.76 3h67A1 HIS 474 HA -0.16 0.08 0.89 -0.75 4.63 4.68 3h67A1 HIS 474 HB2 -1.03 -0.00 0.13 -0.04 3.26 2.32 3h67A1 HIS 474 HB3 -0.47 0.05 0.02 -0.04 3.20 2.75 3h67A1 HIS 474 HD2 -0.11 -0.01 0.02 -0.04 6.97 6.83 3h67A1 HIS 474 HE1 -0.31 -0.02 -0.09 -0.04 7.75 7.29 3h67A1 GLN 475 H 0.00 0.11 0.13 -0.55 8.47 8.17 3h67A1 GLN 475 HA 0.01 0.29 0.86 -0.75 4.36 4.76 3h67A1 GLN 475 HB2 0.04 -0.08 0.10 -0.04 2.15 2.17 3h67A1 GLN 475 HB3 0.02 0.03 0.10 -0.04 2.02 2.12 3h67A1 GLN 475 HG2 0.12 0.17 0.00 -0.04 2.40 2.65 3h67A1 GLN 475 HG3 0.05 -0.08 -0.05 -0.04 2.39 2.26 3h67A1 GLN 475 HE21 0.03 -0.11 0.05 -0.04 6.97 6.90 3h67A1 GLN 475 HE22 0.09 0.42 0.13 -0.04 7.69 8.29 3h67A1 PHE 476 H -0.21 0.71 0.37 -0.55 8.34 8.65 3h67A1 PHE 476 HA 0.04 0.08 0.45 -0.75 4.62 4.43 3h67A1 PHE 476 HB2 0.08 -0.03 0.10 -0.04 3.15 3.26 3h67A1 PHE 476 HB3 0.06 0.14 -0.16 -0.04 3.06 3.06 3h67A1 PHE 476 HD2 0.03 0.12 -0.29 -0.04 7.28 7.10 3h67A1 PHE 476 HE2 0.17 -0.01 -0.26 -0.04 7.38 7.24 3h67A1 PHE 476 HZ 0.12 0.14 -0.08 -0.04 7.32 7.45 3h67A1 THR 477 H 0.23 0.21 0.14 -0.55 8.28 8.30 3h67A1 THR 477 HA -0.03 0.14 1.01 -0.75 4.39 4.76 3h67A1 THR 477 HB 0.04 -0.03 0.10 -0.04 4.32 4.38 3h67A1 THR 477 HG23 0.02 -0.00 -0.16 -0.04 1.22 1.04 3h67A1 ALA 478 H 0.06 0.08 0.06 -0.55 8.40 8.05 3h67A1 ALA 478 HA 0.16 0.02 0.23 -0.75 4.34 3.99 3h67A1 ALA 478 HB3 0.09 0.01 -0.10 -0.04 1.41 1.37 3h67A1 VAL 479 H 0.15 0.06 0.13 -0.55 8.24 8.02 3h67A1 VAL 479 HA 0.06 0.19 0.80 -0.75 4.13 4.42 3h67A1 VAL 479 HB 0.06 0.04 0.12 -0.04 2.12 2.30 3h67A1 VAL 479 HG13 0.09 0.02 -0.03 -0.04 0.97 1.01 3h67A1 VAL 479 HG23 0.12 -0.00 -0.13 -0.04 0.95 0.90 3h67A1 PRO 480 HA -0.16 0.03 0.41 -0.51 4.44 4.21 3h67A1 PRO 480 HB2 -0.07 0.01 -0.03 -0.04 2.28 2.15 3h67A1 PRO 480 HB3 -0.09 0.04 0.06 -0.04 2.02 1.99 3h67A1 PRO 480 HG2 -0.02 0.03 0.06 -0.04 2.03 2.06 3h67A1 PRO 480 HG3 -0.03 0.04 0.06 -0.04 2.03 2.05 3h67A1 PRO 480 HD2 0.02 0.10 0.18 -0.04 3.68 3.94 3h67A1 PRO 480 HD3 0.01 0.16 0.18 -0.04 3.65 3.96 3h67A1 HIS 481 H -0.47 0.22 0.22 -0.55 8.41 7.83 3h67A1 HIS 481 HA -0.67 0.17 0.70 -0.75 4.63 4.08 3h67A1 HIS 481 HB2 -0.43 0.00 0.18 -0.04 3.26 2.98 3h67A1 HIS 481 HB3 -0.13 -0.06 0.01 -0.04 3.20 2.97 3h67A1 HIS 481 HD2 0.12 0.01 -0.02 -0.04 6.97 7.04 3h67A1 HIS 481 HE1 0.08 0.03 0.04 -0.04 7.75 7.86 3h67A1 PRO 482 HA -0.02 0.09 0.48 -0.51 4.44 4.48 3h67A1 PRO 482 HB2 0.27 -0.02 -0.03 -0.04 2.28 2.45 3h67A1 PRO 482 HB3 0.07 0.05 0.09 -0.04 2.02 2.18 3h67A1 PRO 482 HG2 -0.04 0.07 0.08 -0.04 2.03 2.11 3h67A1 PRO 482 HG3 -0.16 0.10 0.07 -0.04 2.03 2.00 3h67A1 PRO 482 HD2 -0.94 0.02 0.22 -0.04 3.68 2.93 3h67A1 PRO 482 HD3 -1.41 0.16 0.19 -0.04 3.65 2.55 3h67A1 ASN 483 H 0.06 0.12 0.12 -0.55 8.53 8.28 3h67A1 ASN 483 HA 0.13 0.18 0.57 -0.75 4.76 4.88 3h67A1 ASN 483 HB2 0.02 0.01 0.13 -0.04 2.88 3.00 3h67A1 ASN 483 HB3 0.03 -0.02 0.23 -0.04 2.79 2.99 3h67A1 ASN 483 HD21 0.00 -0.01 0.01 -0.04 7.03 6.99 3h67A1 ASN 483 HD22 0.00 -0.01 0.06 -0.04 7.74 7.75 3h67A1 VAL 484 H 0.20 0.58 0.13 -0.55 8.24 8.60 3h67A1 VAL 484 HA -0.04 0.11 0.75 -0.75 4.13 4.19 3h67A1 VAL 484 HB -0.24 -0.05 0.03 -0.04 2.12 1.82 3h67A1 VAL 484 HG13 -0.23 0.03 0.02 -0.04 0.97 0.75 3h67A1 VAL 484 HG23 0.09 0.00 -0.22 -0.04 0.95 0.78 3h67A1 LYS 485 H -0.08 0.12 0.10 -0.55 8.42 8.00 3h67A1 LYS 485 HA -0.00 0.17 0.69 -0.75 4.32 4.42 3h67A1 LYS 485 HB2 -0.07 -0.04 0.09 -0.04 1.87 1.81 3h67A1 LYS 485 HB3 -0.04 0.13 0.07 -0.04 1.79 1.91 3h67A1 LYS 485 HG2 -0.00 0.04 0.01 -0.04 1.46 1.47 3h67A1 LYS 485 HG3 -0.01 -0.07 -0.10 -0.04 1.46 1.23 3h67A1 LYS 485 HD2 -0.04 -0.02 0.01 -0.04 1.69 1.61 3h67A1 LYS 485 HD3 -0.03 0.03 0.01 -0.04 1.68 1.65 3h67A1 LYS 485 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.91 3h67A1 LYS 485 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 3h67A1 PRO 486 HA -0.08 -0.06 0.56 -0.51 4.44 4.35 3h67A1 PRO 486 HB2 -0.07 0.05 0.02 -0.04 2.28 2.24 3h67A1 PRO 486 HB3 -0.11 -0.02 0.09 -0.04 2.02 1.95 3h67A1 PRO 486 HG2 -0.06 0.33 -0.01 -0.04 2.03 2.26 3h67A1 PRO 486 HG3 -0.04 -0.07 -0.03 -0.04 2.03 1.85 3h67A1 PRO 486 HD2 -0.03 0.12 0.18 -0.04 3.68 3.92 3h67A1 PRO 486 HD3 0.01 0.16 0.22 -0.04 3.65 3.99 3h67A1 MET 487 H -0.02 0.40 0.21 -0.55 8.47 8.51 3h67A1 MET 487 HA 0.04 -0.09 0.32 -0.75 4.52 4.04 3h67A1 MET 487 HB2 -0.00 -0.03 -0.41 -0.04 2.15 1.66 3h67A1 MET 487 HB3 -0.01 0.18 0.04 -0.04 2.03 2.20 3h67A1 MET 487 HG2 0.04 0.06 0.05 -0.04 2.63 2.75 3h67A1 MET 487 HG3 0.05 -0.13 0.13 -0.04 2.56 2.57 3h67A1 MET 487 HE3 0.08 0.01 0.00 -0.04 2.10 2.15 3h67A1 ALA 488 H -0.11 0.27 -0.44 -0.55 8.40 7.57 3h67A1 ALA 488 HA -0.15 0.12 0.35 -0.75 4.34 3.90 3h67A1 ALA 488 HB3 -0.36 0.01 0.07 -0.04 1.41 1.08 3h67A1 TYR 489 H 0.02 -0.07 -0.37 -0.55 8.29 7.32 3h67A1 TYR 489 HA -0.04 0.27 0.71 -0.75 4.56 4.74 3h67A1 TYR 489 HB2 -0.04 -0.04 -0.05 -0.04 3.06 2.89 3h67A1 TYR 489 HB3 -0.05 -0.09 -0.20 -0.04 2.98 2.59 3h67A1 TYR 489 HD2 -0.08 -0.01 -0.06 -0.04 7.15 6.96 3h67A1 TYR 489 HE2 -0.13 0.11 0.03 -0.04 6.85 6.82 3h67A1 ALA 490 H 0.04 0.26 -0.48 -0.55 8.40 7.67 3h67A1 ALA 490 HA 0.04 -0.03 0.26 -0.75 4.34 3.86 3h67A1 ALA 490 HB3 0.04 0.10 0.04 -0.04 1.41 1.55