============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 129.864 87.478 -22.382 -99.200 -91.000 PHE 22 1.000 127.649 107.090 -15.688 -99.200 -91.000 TRP 34 1.040 132.328 94.014 -11.140 -99.200 -91.000 TRP6 34 1.020 132.692 96.332 -11.451 -99.200 -91.000 TYR 42 0.840 134.584 105.939 -9.462 -99.200 -91.000 PHE 49 1.000 128.324 106.174 -10.074 -99.200 -91.000 HIS 56 0.900 118.732 89.798 -22.554 -99.200 -91.000 PHE 59 1.000 119.966 84.770 -22.974 -99.200 -91.000 TYR 68 0.840 115.311 81.345 -25.062 -99.200 -91.000 PHE 74 1.000 99.781 68.423 -28.599 -99.200 -91.000 PHE 81 1.000 112.730 71.904 -29.876 -99.200 -91.000 TYR 109 0.840 121.654 73.881 -25.167 -99.200 -91.000 TYR 130 0.840 112.734 72.998 -23.799 -99.200 -91.000 TYR 134 0.840 99.217 69.443 -23.598 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b26B1 GLU 180 HA -0.00 -0.03 0.14 -0.75 4.29 3.65 2b26B1 GLU 180 HB2 -0.00 0.01 0.06 -0.04 2.09 2.11 2b26B1 GLU 180 HB3 -0.00 -0.01 0.04 -0.04 1.99 1.98 2b26B1 GLU 180 HG2 -0.01 -0.11 0.07 -0.04 2.34 2.25 2b26B1 GLU 180 HG3 -0.01 0.03 0.03 -0.04 2.34 2.35 2b26B1 THR 181 H -0.01 0.10 -0.05 -0.55 8.28 7.76 2b26B1 THR 181 HA -0.01 0.24 0.39 -0.75 4.39 4.27 2b26B1 THR 181 HB -0.00 0.28 0.30 -0.04 4.32 4.85 2b26B1 THR 181 HG23 -0.01 -0.05 -0.14 -0.04 1.22 0.98 2b26B1 VAL 182 H -0.03 0.33 0.04 -0.55 8.24 8.03 2b26B1 VAL 182 HA -0.04 0.15 1.02 -0.75 4.13 4.51 2b26B1 VAL 182 HB -0.05 0.01 0.13 -0.04 2.12 2.17 2b26B1 VAL 182 HG13 -0.06 0.03 -0.06 -0.04 0.97 0.84 2b26B1 VAL 182 HG23 -0.03 -0.01 -0.14 -0.04 0.95 0.74 2b26B1 GLN 183 H -0.06 0.12 0.05 -0.55 8.47 8.03 2b26B1 GLN 183 HA -0.14 0.21 0.58 -0.75 4.36 4.25 2b26B1 GLN 183 HB2 -0.09 -0.01 -0.07 -0.04 2.15 1.94 2b26B1 GLN 183 HB3 -0.07 -0.02 -0.00 -0.04 2.02 1.88 2b26B1 GLN 183 HG2 -0.06 -0.02 0.11 -0.04 2.40 2.39 2b26B1 GLN 183 HG3 -0.06 -0.01 -0.04 -0.04 2.39 2.24 2b26B1 GLN 183 HE21 -0.03 -0.00 -0.03 -0.04 6.97 6.86 2b26B1 GLN 183 HE22 -0.04 0.04 -0.00 -0.04 7.69 7.65 2b26B1 VAL 184 H -0.31 0.52 0.43 -0.55 8.24 8.33 2b26B1 VAL 184 HA -0.19 0.16 1.03 -0.75 4.13 4.37 2b26B1 VAL 184 HB -0.95 -0.04 0.06 -0.04 2.12 1.15 2b26B1 VAL 184 HG13 -0.25 0.04 -0.10 -0.04 0.97 0.62 2b26B1 VAL 184 HG23 -0.33 0.03 -0.11 -0.04 0.95 0.49 2b26B1 ASN 185 H -0.10 0.13 0.15 -0.55 8.53 8.17 2b26B1 ASN 185 HA -0.03 0.10 0.48 -0.75 4.76 4.56 2b26B1 ASN 185 HB2 -0.03 -0.01 0.15 -0.04 2.88 2.96 2b26B1 ASN 185 HB3 0.00 -0.01 -0.04 -0.04 2.79 2.70 2b26B1 ASN 185 HD21 -0.03 0.01 -0.01 -0.04 7.03 6.96 2b26B1 ASN 185 HD22 -0.03 0.01 0.04 -0.04 7.74 7.72 2b26B1 LEU 186 H 0.06 0.54 0.29 -0.55 8.37 8.71 2b26B1 LEU 186 HA 0.16 0.24 1.01 -0.75 4.35 5.01 2b26B1 LEU 186 HB2 0.42 0.02 -0.17 -0.04 1.64 1.88 2b26B1 LEU 186 HB3 0.23 -0.04 0.03 -0.04 1.64 1.82 2b26B1 LEU 186 HG 0.24 -0.05 -0.17 -0.04 1.64 1.62 2b26B1 LEU 186 HD13 0.46 0.03 -0.06 -0.04 0.93 1.32 2b26B1 LEU 186 HD23 0.41 -0.01 -0.13 -0.04 0.89 1.12 2b26B1 PRO 187 HA 0.08 0.13 0.53 -0.51 4.44 4.67 2b26B1 PRO 187 HB2 0.08 0.02 0.08 -0.04 2.28 2.42 2b26B1 PRO 187 HB3 0.06 -0.02 0.04 -0.04 2.02 2.06 2b26B1 PRO 187 HG2 0.05 0.05 0.02 -0.04 2.03 2.10 2b26B1 PRO 187 HG3 0.05 -0.03 -0.05 -0.04 2.03 1.96 2b26B1 PRO 187 HD2 0.11 0.13 0.15 -0.04 3.68 4.02 2b26B1 PRO 187 HD3 0.07 0.21 -0.38 -0.04 3.65 3.51 2b26B1 VAL 188 H 0.09 0.47 0.50 -0.55 8.24 8.75 2b26B1 VAL 188 HA 0.08 0.21 0.88 -0.75 4.13 4.55 2b26B1 VAL 188 HB 0.09 -0.13 0.16 -0.04 2.12 2.20 2b26B1 VAL 188 HG13 0.09 0.03 -0.01 -0.04 0.97 1.03 2b26B1 VAL 188 HG23 0.12 0.03 -0.01 -0.04 0.95 1.05 2b26B1 SER 189 H 0.08 0.19 0.24 -0.55 8.46 8.42 2b26B1 SER 189 HA 0.09 0.29 0.95 -0.75 4.49 5.06 2b26B1 SER 189 HB2 0.09 0.03 0.12 -0.04 3.95 4.14 2b26B1 SER 189 HB3 0.06 0.13 0.01 -0.04 3.93 4.08 2b26B1 LEU 190 H 0.17 0.30 0.10 -0.55 8.37 8.40 2b26B1 LEU 190 HA 0.11 0.08 0.29 -0.75 4.35 4.07 2b26B1 LEU 190 HB2 0.20 -0.03 0.05 -0.04 1.64 1.82 2b26B1 LEU 190 HB3 0.04 0.07 -0.02 -0.04 1.64 1.69 2b26B1 LEU 190 HG 0.15 0.07 0.03 -0.04 1.64 1.84 2b26B1 LEU 190 HD13 0.07 -0.01 -0.07 -0.04 0.93 0.89 2b26B1 LEU 190 HD23 0.07 0.01 -0.02 -0.04 0.89 0.90 2b26B1 GLU 191 H 0.15 -0.04 -0.54 -0.55 8.60 7.62 2b26B1 GLU 191 HA 0.12 0.18 0.40 -0.75 4.29 4.24 2b26B1 GLU 191 HB2 0.10 -0.14 0.08 -0.04 2.09 2.09 2b26B1 GLU 191 HB3 0.10 0.06 -0.04 -0.04 1.99 2.07 2b26B1 GLU 191 HG2 0.08 0.02 0.02 -0.04 2.34 2.42 2b26B1 GLU 191 HG3 0.06 0.26 0.08 -0.04 2.34 2.70 2b26B1 ASP 192 H 0.09 0.02 -0.00 -0.55 8.40 7.96 2b26B1 ASP 192 HA 0.04 0.04 0.33 -0.75 4.63 4.29 2b26B1 ASP 192 HB2 0.07 -0.03 0.27 -0.04 2.71 2.98 2b26B1 ASP 192 HB3 0.03 0.05 0.05 -0.04 2.70 2.79 2b26B1 LEU 193 H 0.09 0.21 -0.09 -0.55 8.37 8.04 2b26B1 LEU 193 HA 0.02 0.02 0.32 -0.75 4.35 3.96 2b26B1 LEU 193 HB2 0.12 0.04 0.02 -0.04 1.64 1.77 2b26B1 LEU 193 HB3 0.12 0.06 0.08 -0.04 1.64 1.87 2b26B1 LEU 193 HG 0.15 0.05 -0.07 -0.04 1.64 1.72 2b26B1 LEU 193 HD13 0.25 -0.02 -0.03 -0.04 0.93 1.09 2b26B1 LEU 193 HD23 0.11 -0.06 -0.13 -0.04 0.89 0.78 2b26B1 PHE 194 H 0.19 0.29 -0.67 -0.55 8.34 7.60 2b26B1 PHE 194 HA -0.03 -0.03 0.49 -0.75 4.62 4.30 2b26B1 PHE 194 HB2 -0.02 -0.03 0.14 -0.04 3.15 3.20 2b26B1 PHE 194 HB3 -0.01 0.27 0.31 -0.04 3.06 3.59 2b26B1 PHE 194 HD2 -0.03 -0.02 0.02 -0.04 7.28 7.21 2b26B1 PHE 194 HE2 -0.03 0.02 -0.05 -0.04 7.38 7.28 2b26B1 PHE 194 HZ -0.03 -0.03 -0.05 -0.04 7.32 7.17 2b26B1 VAL 195 H 0.06 0.39 0.09 -0.55 8.24 8.23 2b26B1 VAL 195 HA -0.53 0.14 0.68 -0.75 4.13 3.66 2b26B1 VAL 195 HB 0.04 -0.04 0.06 -0.04 2.12 2.15 2b26B1 VAL 195 HG13 0.02 0.01 -0.16 -0.04 0.97 0.81 2b26B1 VAL 195 HG23 -0.11 -0.00 0.10 -0.04 0.95 0.90 2b26B1 GLY 196 H -0.17 0.24 -0.66 -0.55 8.43 7.29 2b26B1 GLY 196 HA2 -0.24 0.13 0.13 -0.51 4.01 3.52 2b26B1 GLY 196 HA3 -0.22 -0.05 0.25 -0.51 4.01 3.47 2b26B1 LYS 197 H -0.10 0.07 -0.03 -0.55 8.42 7.80 2b26B1 LYS 197 HA -0.08 0.19 0.68 -0.75 4.32 4.36 2b26B1 LYS 197 HB2 -0.03 0.04 -0.03 -0.04 1.87 1.82 2b26B1 LYS 197 HB3 -0.03 -0.12 0.04 -0.04 1.79 1.64 2b26B1 LYS 197 HG2 -0.05 -0.03 -0.58 -0.04 1.46 0.75 2b26B1 LYS 197 HG3 -0.04 0.02 -0.03 -0.04 1.46 1.36 2b26B1 LYS 197 HD2 -0.00 -0.00 -0.04 -0.04 1.69 1.61 2b26B1 LYS 197 HD3 -0.01 -0.10 -0.05 -0.04 1.68 1.48 2b26B1 LYS 197 HE2 -0.04 -0.01 -0.09 -0.04 2.99 2.81 2b26B1 LYS 197 HE3 -0.02 0.06 -0.04 -0.04 2.99 2.95 2b26B1 LYS 198 H -0.07 0.18 0.12 -0.55 8.42 8.10 2b26B1 LYS 198 HA -0.09 0.18 1.08 -0.75 4.32 4.74 2b26B1 LYS 198 HB2 -0.07 0.02 0.04 -0.04 1.87 1.82 2b26B1 LYS 198 HB3 -0.06 -0.04 0.17 -0.04 1.79 1.82 2b26B1 LYS 198 HG2 -0.07 0.05 -0.24 -0.04 1.46 1.17 2b26B1 LYS 198 HG3 -0.07 -0.01 -0.26 -0.04 1.46 1.08 2b26B1 LYS 198 HD2 -0.05 0.00 -0.06 -0.04 1.69 1.54 2b26B1 LYS 198 HD3 -0.05 -0.03 -0.06 -0.04 1.68 1.51 2b26B1 LYS 198 HE2 -0.04 -0.00 -0.14 -0.04 2.99 2.77 2b26B1 LYS 198 HE3 -0.04 -0.00 -0.18 -0.04 2.99 2.73 2b26B1 LYS 199 H -0.11 0.53 0.28 -0.55 8.42 8.57 2b26B1 LYS 199 HA -0.12 0.11 0.75 -0.75 4.32 4.31 2b26B1 LYS 199 HB2 -0.12 0.03 0.10 -0.04 1.87 1.84 2b26B1 LYS 199 HB3 -0.30 0.02 0.00 -0.04 1.79 1.47 2b26B1 LYS 199 HG2 -0.05 -0.04 -0.08 -0.04 1.46 1.24 2b26B1 LYS 199 HG3 -0.04 -0.02 0.01 -0.04 1.46 1.37 2b26B1 LYS 199 HD2 -0.10 0.08 0.09 -0.04 1.69 1.73 2b26B1 LYS 199 HD3 -0.09 -0.01 0.15 -0.04 1.68 1.70 2b26B1 LYS 199 HE2 0.01 0.02 0.05 -0.04 2.99 3.02 2b26B1 LYS 199 HE3 -0.01 -0.03 0.02 -0.04 2.99 2.94 2b26B1 SER 200 H -0.25 0.30 0.26 -0.55 8.46 8.23 2b26B1 SER 200 HA -0.49 0.15 0.58 -0.75 4.49 3.98 2b26B1 SER 200 HB2 -0.05 0.05 0.18 -0.04 3.95 4.10 2b26B1 SER 200 HB3 -0.10 0.08 -0.14 -0.04 3.93 3.72 2b26B1 PHE 201 H 0.20 0.42 0.14 -0.55 8.34 8.54 2b26B1 PHE 201 HA 0.03 0.09 0.27 -0.75 4.62 4.26 2b26B1 PHE 201 HB2 0.06 0.01 0.09 -0.04 3.15 3.26 2b26B1 PHE 201 HB3 0.05 0.18 0.19 -0.04 3.06 3.44 2b26B1 PHE 201 HD2 0.07 0.01 -0.00 -0.04 7.28 7.32 2b26B1 PHE 201 HE2 0.07 -0.02 -0.12 -0.04 7.38 7.27 2b26B1 PHE 201 HZ -0.25 0.01 -0.15 -0.04 7.32 6.88 2b26B1 LYS 214 HA 0.02 -0.08 0.41 -0.75 4.32 3.91 2b26B1 LYS 214 HB2 0.01 -0.03 0.05 -0.04 1.87 1.86 2b26B1 LYS 214 HB3 0.02 0.00 -0.08 -0.04 1.79 1.69 2b26B1 LYS 214 HG2 0.01 -0.00 0.11 -0.04 1.46 1.53 2b26B1 LYS 214 HG3 0.01 -0.01 0.06 -0.04 1.46 1.48 2b26B1 LYS 214 HD2 0.01 -0.01 0.01 -0.04 1.69 1.65 2b26B1 LYS 214 HD3 0.01 0.01 0.01 -0.04 1.68 1.67 2b26B1 LYS 214 HE2 0.00 0.01 0.04 -0.04 2.99 2.99 2b26B1 LYS 214 HE3 0.00 -0.01 0.02 -0.04 2.99 2.97 2b26B1 THR 215 H 0.03 0.18 3.95 -0.55 8.28 11.89 2b26B1 THR 215 HA 0.04 0.16 0.79 -0.75 4.39 4.63 2b26B1 THR 215 HB 0.05 0.11 -0.13 -0.04 4.32 4.30 2b26B1 THR 215 HG23 0.08 -0.01 -0.18 -0.04 1.22 1.07 2b26B1 GLN 216 H 0.06 0.20 0.15 -0.55 8.47 8.34 2b26B1 GLN 216 HA 0.13 0.24 1.00 -0.75 4.36 4.97 2b26B1 GLN 216 HB2 0.05 -0.04 0.07 -0.04 2.15 2.19 2b26B1 GLN 216 HB3 0.05 0.00 0.06 -0.04 2.02 2.10 2b26B1 GLN 216 HG2 0.07 0.00 -0.02 -0.04 2.40 2.42 2b26B1 GLN 216 HG3 0.05 -0.04 -0.01 -0.04 2.39 2.34 2b26B1 GLN 216 HE21 0.09 -0.12 0.05 -0.04 6.97 6.95 2b26B1 GLN 216 HE22 0.08 -0.05 0.02 -0.04 7.69 7.70 2b26B1 ILE 217 H 0.28 0.28 0.18 -0.55 8.25 8.44 2b26B1 ILE 217 HA 0.12 0.19 0.83 -0.75 4.18 4.56 2b26B1 ILE 217 HB 0.69 -0.02 -0.03 -0.04 1.89 2.49 2b26B1 ILE 217 HG12 0.24 0.05 -0.14 -0.04 1.49 1.59 2b26B1 ILE 217 HG13 0.21 -0.06 -0.27 -0.04 1.21 1.05 2b26B1 ILE 217 HG23 0.16 0.01 -0.11 -0.04 0.93 0.94 2b26B1 ILE 217 HD13 0.32 0.01 -0.10 -0.04 0.88 1.06 2b26B1 ASP 218 H 0.07 0.22 0.09 -0.55 8.40 8.23 2b26B1 ASP 218 HA -0.11 0.22 0.86 -0.75 4.63 4.85 2b26B1 ASP 218 HB2 -0.02 -0.04 -0.07 -0.04 2.71 2.54 2b26B1 ASP 218 HB3 -0.03 -0.01 -0.03 -0.04 2.70 2.58 2b26B1 ILE 219 H -0.17 0.49 0.11 -0.55 8.25 8.13 2b26B1 ILE 219 HA 0.08 0.18 1.01 -0.75 4.18 4.70 2b26B1 ILE 219 HB -0.10 -0.04 0.01 -0.04 1.89 1.72 2b26B1 ILE 219 HG12 -0.07 0.06 -0.18 -0.04 1.49 1.26 2b26B1 ILE 219 HG13 -0.16 -0.10 -0.32 -0.04 1.21 0.59 2b26B1 ILE 219 HG23 0.17 0.00 -0.25 -0.04 0.93 0.82 2b26B1 ILE 219 HD13 -0.39 0.01 -0.13 -0.04 0.88 0.33 2b26B1 GLN 220 H 0.03 0.20 0.07 -0.55 8.47 8.23 2b26B1 GLN 220 HA -0.11 0.12 0.77 -0.75 4.36 4.40 2b26B1 GLN 220 HB2 -0.06 -0.01 -0.02 -0.04 2.15 2.02 2b26B1 GLN 220 HB3 -0.04 -0.04 0.14 -0.04 2.02 2.04 2b26B1 GLN 220 HG2 -0.09 -0.05 -0.06 -0.04 2.40 2.16 2b26B1 GLN 220 HG3 -0.18 -0.01 -0.23 -0.04 2.39 1.93 2b26B1 GLN 220 HE21 -0.17 0.26 -0.31 -0.04 6.97 6.71 2b26B1 GLN 220 HE22 -0.24 -0.03 -0.48 -0.04 7.69 6.90 2b26B1 LEU 221 H -0.17 0.59 0.18 -0.55 8.37 8.42 2b26B1 LEU 221 HA -0.84 -0.07 0.39 -0.75 4.35 3.07 2b26B1 LEU 221 HB2 -0.18 -0.01 0.17 -0.04 1.64 1.58 2b26B1 LEU 221 HB3 -0.21 0.06 -0.01 -0.04 1.64 1.44 2b26B1 LEU 221 HG 0.15 -0.02 -0.04 -0.04 1.64 1.70 2b26B1 LEU 221 HD13 -0.04 0.02 -0.05 -0.04 0.93 0.82 2b26B1 LEU 221 HD23 0.03 -0.04 -0.08 -0.04 0.89 0.76 2b26B1 LYS 222 H -2.81 0.02 0.19 -0.55 8.42 5.26 2b26B1 LYS 222 HA -0.54 0.11 0.43 -0.75 4.32 3.57 2b26B1 LYS 222 HB2 -1.90 -0.11 0.09 -0.04 1.87 -0.09 2b26B1 LYS 222 HB3 -0.48 0.15 -0.04 -0.04 1.79 1.38 2b26B1 LYS 222 HG2 -0.33 0.02 0.06 -0.04 1.46 1.16 2b26B1 LYS 222 HG3 0.03 -0.04 0.04 -0.04 1.46 1.46 2b26B1 LYS 222 HD2 -0.13 0.06 0.07 -0.04 1.69 1.65 2b26B1 LYS 222 HD3 -0.24 0.05 0.06 -0.04 1.68 1.51 2b26B1 LYS 222 HE2 -0.07 -0.03 0.02 -0.04 2.99 2.88 2b26B1 LYS 222 HE3 -0.07 -0.02 0.01 -0.04 2.99 2.87 2b26B1 PRO 223 HA -0.22 0.19 0.65 -0.51 4.44 4.55 2b26B1 PRO 223 HB2 -0.14 -0.03 0.18 -0.04 2.28 2.25 2b26B1 PRO 223 HB3 -0.21 0.12 0.12 -0.04 2.02 2.01 2b26B1 PRO 223 HG2 -0.16 -0.04 0.08 -0.04 2.03 1.87 2b26B1 PRO 223 HG3 -0.21 0.11 -0.01 -0.04 2.03 1.88 2b26B1 PRO 223 HD2 -0.19 0.07 0.21 -0.04 3.68 3.74 2b26B1 PRO 223 HD3 -0.27 0.08 0.22 -0.04 3.65 3.64 2b26B1 GLY 224 H -0.06 0.40 0.32 -0.55 8.43 8.55 2b26B1 GLY 224 HA2 0.06 -0.03 0.25 -0.51 4.01 3.78 2b26B1 GLY 224 HA3 0.04 0.36 0.60 -0.51 4.01 4.50 2b26B1 TRP 225 H 0.16 0.19 0.08 -0.55 7.97 7.86 2b26B1 TRP 225 HA 0.01 0.09 0.62 -0.75 4.62 4.59 2b26B1 TRP 225 HB2 0.01 0.03 0.12 -0.04 3.23 3.34 2b26B1 TRP 225 HB3 0.01 -0.02 -0.07 -0.04 3.23 3.11 2b26B1 TRP 225 HD1 0.00 0.13 -0.24 -0.04 7.22 7.07 2b26B1 TRP 225 HE1 -0.00 0.04 -0.02 -0.04 10.20 10.17 2b26B1 TRP 225 HE3 0.00 -0.02 -0.03 -0.04 7.59 7.51 2b26B1 TRP 225 HZ2 0.00 0.03 0.03 -0.04 7.44 7.46 2b26B1 TRP 225 HZ3 -0.02 -0.03 -0.13 -0.04 7.13 6.91 2b26B1 TRP 225 HH2 -0.00 0.00 -0.03 -0.04 7.19 7.11 2b26B1 LYS 226 H 0.11 0.14 0.08 -0.55 8.42 8.19 2b26B1 LYS 226 HA 0.10 0.17 0.77 -0.75 4.32 4.61 2b26B1 LYS 226 HB2 0.04 -0.05 0.06 -0.04 1.87 1.88 2b26B1 LYS 226 HB3 0.07 0.06 -0.06 -0.04 1.79 1.81 2b26B1 LYS 226 HG2 0.06 0.02 0.03 -0.04 1.46 1.53 2b26B1 LYS 226 HG3 0.01 0.06 -0.14 -0.04 1.46 1.35 2b26B1 LYS 226 HD2 0.02 -0.01 -0.03 -0.04 1.69 1.63 2b26B1 LYS 226 HD3 0.02 -0.04 -0.03 -0.04 1.68 1.59 2b26B1 LYS 226 HE2 0.05 0.03 -0.12 -0.04 2.99 2.90 2b26B1 LYS 226 HE3 0.06 0.14 -0.07 -0.04 2.99 3.07 2b26B1 ALA 227 H 0.05 0.10 0.05 -0.55 8.40 8.05 2b26B1 ALA 227 HA 0.03 -0.01 0.23 -0.75 4.34 3.85 2b26B1 ALA 227 HB3 0.03 0.01 0.09 -0.04 1.41 1.49 2b26B1 GLY 228 H -0.01 0.22 0.31 -0.55 8.43 8.40 2b26B1 GLY 228 HA2 -0.05 -0.05 0.33 -0.51 4.01 3.73 2b26B1 GLY 228 HA3 -0.04 0.13 0.65 -0.51 4.01 4.24 2b26B1 THR 229 H -0.14 0.10 0.13 -0.55 8.28 7.83 2b26B1 THR 229 HA -0.27 0.10 0.72 -0.75 4.39 4.18 2b26B1 THR 229 HB -0.65 -0.05 0.11 -0.04 4.32 3.68 2b26B1 THR 229 HG23 -1.34 0.03 -0.03 -0.04 1.22 -0.16 2b26B1 LYS 230 H -0.23 0.13 0.16 -0.55 8.42 7.92 2b26B1 LYS 230 HA -0.14 0.14 0.53 -0.75 4.32 4.10 2b26B1 LYS 230 HB2 -0.12 -0.00 0.12 -0.04 1.87 1.83 2b26B1 LYS 230 HB3 -0.09 -0.04 -0.07 -0.04 1.79 1.56 2b26B1 LYS 230 HG2 -0.07 -0.02 -0.08 -0.04 1.46 1.25 2b26B1 LYS 230 HG3 -0.10 0.08 -0.00 -0.04 1.46 1.40 2b26B1 LYS 230 HD2 -0.05 0.01 -0.01 -0.04 1.69 1.60 2b26B1 LYS 230 HD3 -0.06 0.00 0.02 -0.04 1.68 1.60 2b26B1 LYS 230 HE2 -0.04 -0.02 -0.05 -0.04 2.99 2.83 2b26B1 LYS 230 HE3 -0.04 -0.01 -0.07 -0.04 2.99 2.84 2b26B1 ILE 231 H -0.09 0.22 0.12 -0.55 8.25 7.95 2b26B1 ILE 231 HA -0.13 0.18 0.83 -0.75 4.18 4.30 2b26B1 ILE 231 HB -0.08 -0.09 0.26 -0.04 1.89 1.94 2b26B1 ILE 231 HG12 -0.24 0.05 -0.12 -0.04 1.49 1.13 2b26B1 ILE 231 HG13 -0.31 0.11 -0.46 -0.04 1.21 0.50 2b26B1 ILE 231 HG23 -0.46 -0.00 -0.11 -0.04 0.93 0.32 2b26B1 ILE 231 HD13 0.06 -0.02 -0.10 -0.04 0.88 0.78 2b26B1 THR 232 H -0.02 0.21 0.01 -0.55 8.28 7.93 2b26B1 THR 232 HA 0.01 0.15 0.87 -0.75 4.39 4.67 2b26B1 THR 232 HB 0.01 -0.01 -0.04 -0.04 4.32 4.24 2b26B1 THR 232 HG23 0.03 0.01 0.06 -0.04 1.22 1.27 2b26B1 TYR 233 H 0.15 0.77 0.29 -0.55 8.29 8.96 2b26B1 TYR 233 HA 0.05 0.13 0.88 -0.75 4.56 4.87 2b26B1 TYR 233 HB2 0.14 0.09 0.18 -0.04 3.06 3.43 2b26B1 TYR 233 HB3 0.07 0.01 -0.02 -0.04 2.98 3.00 2b26B1 TYR 233 HD2 0.05 0.10 -0.23 -0.04 7.15 7.02 2b26B1 TYR 233 HE2 -0.04 -0.05 -0.10 -0.04 6.85 6.62 2b26B1 LYS 234 H 0.13 0.18 0.04 -0.55 8.42 8.22 2b26B1 LYS 234 HA 0.08 -0.01 0.40 -0.75 4.32 4.03 2b26B1 LYS 234 HB2 0.05 0.00 0.17 -0.04 1.87 2.05 2b26B1 LYS 234 HB3 0.04 0.04 0.00 -0.04 1.79 1.83 2b26B1 LYS 234 HG2 0.07 -0.01 0.02 -0.04 1.46 1.50 2b26B1 LYS 234 HG3 0.04 0.01 0.03 -0.04 1.46 1.50 2b26B1 LYS 234 HD2 0.03 0.02 -0.00 -0.04 1.69 1.70 2b26B1 LYS 234 HD3 0.04 -0.00 -0.02 -0.04 1.68 1.65 2b26B1 LYS 234 HE2 0.04 -0.00 -0.03 -0.04 2.99 2.95 2b26B1 LYS 234 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.97 2b26B1 ASN 235 H 0.07 0.03 0.19 -0.55 8.53 8.27 2b26B1 ASN 235 HA 0.05 0.25 0.52 -0.75 4.76 4.83 2b26B1 ASN 235 HB2 0.03 0.16 0.15 -0.04 2.88 3.18 2b26B1 ASN 235 HB3 0.03 0.02 -0.30 -0.04 2.79 2.50 2b26B1 ASN 235 HD21 0.02 -0.05 -0.18 -0.04 7.03 6.78 2b26B1 ASN 235 HD22 0.02 0.11 -0.22 -0.04 7.74 7.62 2b26B1 LYS 247 HA 0.01 -0.01 0.20 -0.75 4.32 3.76 2b26B1 LYS 247 HB2 0.01 0.00 0.05 -0.04 1.87 1.89 2b26B1 LYS 247 HB3 0.02 -0.01 -0.11 -0.04 1.79 1.65 2b26B1 LYS 247 HG2 -0.00 -0.04 -0.19 -0.04 1.46 1.18 2b26B1 LYS 247 HG3 0.00 0.03 -0.04 -0.04 1.46 1.41 2b26B1 LYS 247 HD2 -0.00 0.01 -0.02 -0.04 1.69 1.63 2b26B1 LYS 247 HD3 -0.01 0.01 -0.07 -0.04 1.68 1.57 2b26B1 LYS 247 HE2 -0.01 -0.05 -0.07 -0.04 2.99 2.82 2b26B1 LYS 247 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.92 2b26B1 THR 248 H 0.02 0.23 0.03 -0.55 8.28 8.02 2b26B1 THR 248 HA 0.06 -0.30 0.70 -0.75 4.39 4.09 2b26B1 THR 248 HB 0.05 0.00 -0.05 -0.04 4.32 4.27 2b26B1 THR 248 HG23 0.03 -0.02 0.09 -0.04 1.22 1.28 2b26B1 LEU 249 H 0.11 0.27 0.33 -0.55 8.37 8.53 2b26B1 LEU 249 HA 0.00 0.09 0.67 -0.75 4.35 4.35 2b26B1 LEU 249 HB2 0.16 0.05 0.15 -0.04 1.64 1.97 2b26B1 LEU 249 HB3 0.26 -0.05 -0.06 -0.04 1.64 1.75 2b26B1 LEU 249 HG -0.08 0.03 -0.01 -0.04 1.64 1.54 2b26B1 LEU 249 HD13 0.00 0.03 -0.15 -0.04 0.93 0.77 2b26B1 LEU 249 HD23 0.14 -0.00 -0.06 -0.04 0.89 0.92 2b26B1 GLN 250 H -0.07 0.28 0.09 -0.55 8.47 8.22 2b26B1 GLN 250 HA 0.04 0.30 0.98 -0.75 4.36 4.92 2b26B1 GLN 250 HB2 -0.01 0.03 -0.17 -0.04 2.15 1.96 2b26B1 GLN 250 HB3 -0.04 -0.04 -0.05 -0.04 2.02 1.85 2b26B1 GLN 250 HG2 -0.05 -0.05 -0.50 -0.04 2.40 1.76 2b26B1 GLN 250 HG3 -0.03 -0.06 -0.23 -0.04 2.39 2.03 2b26B1 GLN 250 HE21 -0.03 0.02 -0.10 -0.04 6.97 6.82 2b26B1 GLN 250 HE22 -0.02 -0.00 -0.14 -0.04 7.69 7.49 2b26B1 PHE 251 H 0.13 0.63 0.27 -0.55 8.34 8.82 2b26B1 PHE 251 HA -0.06 0.16 1.13 -0.75 4.62 5.10 2b26B1 PHE 251 HB2 -0.16 0.01 0.16 -0.04 3.15 3.12 2b26B1 PHE 251 HB3 -0.02 0.03 -0.09 -0.04 3.06 2.94 2b26B1 PHE 251 HD2 -0.03 0.02 -0.20 -0.04 7.28 7.04 2b26B1 PHE 251 HE2 -0.02 0.01 -0.14 -0.04 7.38 7.19 2b26B1 PHE 251 HZ -0.04 0.00 -0.11 -0.04 7.32 7.13 2b26B1 VAL 252 H -0.07 0.62 0.27 -0.55 8.24 8.51 2b26B1 VAL 252 HA -0.04 0.12 0.62 -0.75 4.13 4.07 2b26B1 VAL 252 HB -0.05 0.01 -0.09 -0.04 2.12 1.94 2b26B1 VAL 252 HG13 -0.03 -0.00 -0.20 -0.04 0.97 0.70 2b26B1 VAL 252 HG23 -0.06 -0.00 -0.16 -0.04 0.95 0.68 2b26B1 ILE 253 H -0.03 0.14 0.18 -0.55 8.25 7.99 2b26B1 ILE 253 HA 0.08 0.25 0.70 -0.75 4.18 4.46 2b26B1 ILE 253 HB 0.00 -0.27 0.20 -0.04 1.89 1.78 2b26B1 ILE 253 HG12 0.08 0.03 -0.08 -0.04 1.49 1.48 2b26B1 ILE 253 HG13 -0.10 0.35 0.16 -0.04 1.21 1.58 2b26B1 ILE 253 HG23 0.12 0.03 -0.21 -0.04 0.93 0.83 2b26B1 ILE 253 HD13 0.00 0.00 -0.04 -0.04 0.88 0.80 2b26B1 GLN 254 H 0.08 0.75 0.13 -0.55 8.47 8.89 2b26B1 GLN 254 HA 0.04 0.13 0.78 -0.75 4.36 4.56 2b26B1 GLN 254 HB2 0.06 -0.04 -0.30 -0.04 2.15 1.83 2b26B1 GLN 254 HB3 0.04 0.03 -0.12 -0.04 2.02 1.93 2b26B1 GLN 254 HG2 0.03 -0.03 -0.36 -0.04 2.40 2.00 2b26B1 GLN 254 HG3 0.02 0.01 -0.16 -0.04 2.39 2.23 2b26B1 GLN 254 HE21 0.00 0.02 -0.08 -0.04 6.97 6.87 2b26B1 GLN 254 HE22 -0.00 -0.03 -0.13 -0.04 7.69 7.48 2b26B1 GLU 255 H 0.05 0.21 0.06 -0.55 8.60 8.37 2b26B1 GLU 255 HA 0.08 0.10 0.92 -0.75 4.29 4.64 2b26B1 GLU 255 HB2 0.08 0.06 -0.03 -0.04 2.09 2.16 2b26B1 GLU 255 HB3 0.08 0.01 -0.11 -0.04 1.99 1.93 2b26B1 GLU 255 HG2 0.05 -0.07 0.09 -0.04 2.34 2.36 2b26B1 GLU 255 HG3 0.06 0.04 0.14 -0.04 2.34 2.54 2b26B1 LYS 256 H 0.07 0.56 0.26 -0.55 8.42 8.75 2b26B1 LYS 256 HA 0.04 -0.05 0.38 -0.75 4.32 3.94 2b26B1 LYS 256 HB2 0.05 0.11 0.21 -0.04 1.87 2.20 2b26B1 LYS 256 HB3 0.03 0.07 0.10 -0.04 1.79 1.95 2b26B1 LYS 256 HG2 0.04 -0.04 0.06 -0.04 1.46 1.48 2b26B1 LYS 256 HG3 0.05 -0.08 0.05 -0.04 1.46 1.44 2b26B1 LYS 256 HD2 0.03 -0.00 -0.00 -0.04 1.69 1.67 2b26B1 LYS 256 HD3 0.04 -0.01 -0.03 -0.04 1.68 1.64 2b26B1 LYS 256 HE2 0.06 0.01 -0.32 -0.04 2.99 2.70 2b26B1 LYS 256 HE3 0.05 0.02 -0.18 -0.04 2.99 2.84 2b26B1 SER 257 H 0.03 0.02 0.19 -0.55 8.46 8.16 2b26B1 SER 257 HA 0.07 0.07 0.46 -0.75 4.49 4.32 2b26B1 SER 257 HB2 0.02 -0.05 0.09 -0.04 3.95 3.97 2b26B1 SER 257 HB3 0.03 0.07 0.03 -0.04 3.93 4.02 2b26B1 HIS 258 H 0.14 0.25 0.23 -0.55 8.41 8.48 2b26B1 HIS 258 HA 0.03 0.24 1.10 -0.75 4.63 5.25 2b26B1 HIS 258 HB2 0.08 0.00 0.01 -0.04 3.26 3.32 2b26B1 HIS 258 HB3 0.10 0.21 0.16 -0.04 3.20 3.62 2b26B1 HIS 258 HD2 0.11 -0.12 0.04 -0.04 6.97 6.96 2b26B1 HIS 258 HE1 -0.13 0.12 0.04 -0.04 7.75 7.73 2b26B1 PRO 259 HA -0.05 0.06 0.37 -0.51 4.44 4.31 2b26B1 PRO 259 HB2 -0.16 -0.02 0.09 -0.04 2.28 2.14 2b26B1 PRO 259 HB3 -0.10 0.04 0.08 -0.04 2.02 2.00 2b26B1 PRO 259 HG2 -0.29 0.04 0.10 -0.04 2.03 1.83 2b26B1 PRO 259 HG3 -0.17 0.05 0.09 -0.04 2.03 1.97 2b26B1 PRO 259 HD2 -1.74 0.05 0.23 -0.04 3.68 2.18 2b26B1 PRO 259 HD3 -0.36 0.26 0.25 -0.04 3.65 3.76 2b26B1 ASN 260 H 0.61 -0.08 -0.14 -0.55 8.53 8.38 2b26B1 ASN 260 HA -0.04 0.28 1.11 -0.75 4.76 5.35 2b26B1 ASN 260 HB2 -0.72 -0.02 0.03 -0.04 2.88 2.14 2b26B1 ASN 260 HB3 -0.38 -0.00 0.01 -0.04 2.79 2.38 2b26B1 ASN 260 HD21 -0.06 -0.01 -0.04 -0.04 7.03 6.88 2b26B1 ASN 260 HD22 -0.04 0.03 -0.02 -0.04 7.74 7.67 2b26B1 PHE 261 H -0.09 -0.12 -0.01 -0.55 8.34 7.57 2b26B1 PHE 261 HA 0.00 0.48 1.02 -0.75 4.62 5.36 2b26B1 PHE 261 HB2 -0.47 -0.06 -0.00 -0.04 3.15 2.57 2b26B1 PHE 261 HB3 -0.14 -0.07 -0.02 -0.04 3.06 2.79 2b26B1 PHE 261 HD2 -0.42 0.01 -0.24 -0.04 7.28 6.59 2b26B1 PHE 261 HE2 -0.14 0.08 -0.18 -0.04 7.38 7.09 2b26B1 PHE 261 HZ -0.21 0.08 -0.21 -0.04 7.32 6.94 2b26B1 LYS 262 H 0.17 0.26 0.25 -0.55 8.42 8.55 2b26B1 LYS 262 HA 0.07 0.07 0.74 -0.75 4.32 4.45 2b26B1 LYS 262 HB2 0.04 0.07 -0.03 -0.04 1.87 1.91 2b26B1 LYS 262 HB3 0.04 -0.02 0.18 -0.04 1.79 1.95 2b26B1 LYS 262 HG2 0.03 0.09 -0.12 -0.04 1.46 1.42 2b26B1 LYS 262 HG3 0.03 -0.02 0.07 -0.04 1.46 1.51 2b26B1 LYS 262 HD2 0.01 -0.02 -0.06 -0.04 1.69 1.58 2b26B1 LYS 262 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 2b26B1 LYS 262 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.93 2b26B1 LYS 262 HE3 -0.00 0.05 -0.04 -0.04 2.99 2.95 2b26B1 ARG 263 H 0.05 0.12 0.11 -0.55 8.46 8.20 2b26B1 ARG 263 HA 0.01 0.17 0.71 -0.75 4.34 4.47 2b26B1 ARG 263 HB2 0.03 -0.03 0.05 -0.04 1.90 1.90 2b26B1 ARG 263 HB3 0.04 -0.05 0.10 -0.04 1.80 1.85 2b26B1 ARG 263 HG2 0.03 -0.14 -0.22 -0.04 1.67 1.29 2b26B1 ARG 263 HG3 0.01 0.20 -0.04 -0.04 1.67 1.79 2b26B1 ARG 263 HD2 0.04 -0.03 -0.06 -0.04 3.22 3.13 2b26B1 ARG 263 HD3 0.05 -0.12 -0.04 -0.04 3.22 3.07 2b26B1 ASP 264 H 0.01 0.82 0.08 -0.55 8.40 8.77 2b26B1 ASP 264 HA 0.02 0.07 0.60 -0.75 4.63 4.57 2b26B1 ASP 264 HB2 0.02 0.09 -0.10 -0.04 2.71 2.67 2b26B1 ASP 264 HB3 0.01 -0.01 -0.05 -0.04 2.70 2.61 2b26B1 GLY 265 H 0.02 0.16 0.04 -0.55 8.43 8.10 2b26B1 GLY 265 HA2 0.02 0.07 0.31 -0.51 4.01 3.91 2b26B1 GLY 265 HA3 0.02 0.02 0.54 -0.51 4.01 4.08 2b26B1 ASP 266 H 0.02 0.12 0.21 -0.55 8.40 8.20 2b26B1 ASP 266 HA 0.03 0.22 0.46 -0.75 4.63 4.58 2b26B1 ASP 266 HB2 0.02 -0.04 0.12 -0.04 2.71 2.76 2b26B1 ASP 266 HB3 0.02 -0.05 0.18 -0.04 2.70 2.81 2b26B1 ASP 267 H 0.01 0.33 -0.38 -0.55 8.40 7.80 2b26B1 ASP 267 HA -0.02 0.27 0.98 -0.75 4.63 5.11 2b26B1 ASP 267 HB2 0.01 0.17 0.08 -0.04 2.71 2.93 2b26B1 ASP 267 HB3 0.00 0.07 -0.02 -0.04 2.70 2.71 2b26B1 LEU 268 H -0.06 0.43 0.31 -0.55 8.37 8.50 2b26B1 LEU 268 HA -0.05 0.13 0.81 -0.75 4.35 4.49 2b26B1 LEU 268 HB2 -0.32 0.02 0.07 -0.04 1.64 1.37 2b26B1 LEU 268 HB3 -0.42 -0.04 -0.04 -0.04 1.64 1.10 2b26B1 LEU 268 HG -0.24 -0.03 -0.25 -0.04 1.64 1.08 2b26B1 LEU 268 HD13 -0.80 0.03 -0.08 -0.04 0.93 0.03 2b26B1 LEU 268 HD23 -0.13 0.02 -0.23 -0.04 0.89 0.52 2b26B1 ILE 269 H 0.09 0.34 0.24 -0.55 8.25 8.36 2b26B1 ILE 269 HA 0.07 0.29 1.16 -0.75 4.18 4.94 2b26B1 ILE 269 HB 0.04 0.07 0.15 -0.04 1.89 2.12 2b26B1 ILE 269 HG12 0.02 -0.02 -0.11 -0.04 1.49 1.34 2b26B1 ILE 269 HG13 0.03 0.02 -0.19 -0.04 1.21 1.03 2b26B1 ILE 269 HG23 -0.00 -0.01 -0.23 -0.04 0.93 0.65 2b26B1 ILE 269 HD13 0.02 -0.02 -0.26 -0.04 0.88 0.58 2b26B1 TYR 270 H 0.15 0.86 0.36 -0.55 8.29 9.11 2b26B1 TYR 270 HA -0.02 0.32 1.02 -0.75 4.56 5.12 2b26B1 TYR 270 HB2 0.20 -0.03 -0.17 -0.04 3.06 3.02 2b26B1 TYR 270 HB3 0.06 -0.01 -0.01 -0.04 2.98 2.98 2b26B1 TYR 270 HD2 -0.30 -0.00 -0.14 -0.04 7.15 6.67 2b26B1 TYR 270 HE2 -0.17 -0.04 -0.07 -0.04 6.85 6.53 2b26B1 THR 271 H -0.72 0.30 0.12 -0.55 8.28 7.43 2b26B1 THR 271 HA -0.40 0.15 1.00 -0.75 4.39 4.39 2b26B1 THR 271 HB -0.29 0.02 0.08 -0.04 4.32 4.08 2b26B1 THR 271 HG23 -0.16 -0.02 -0.43 -0.04 1.22 0.56 2b26B1 LEU 272 H -0.43 0.60 0.24 -0.55 8.37 8.23 2b26B1 LEU 272 HA -0.18 0.15 0.63 -0.75 4.35 4.19 2b26B1 LEU 272 HB2 0.24 -0.01 0.00 -0.04 1.64 1.84 2b26B1 LEU 272 HB3 -0.22 0.08 0.13 -0.04 1.64 1.58 2b26B1 LEU 272 HG -0.09 -0.07 -0.58 -0.04 1.64 0.86 2b26B1 LEU 272 HD13 -0.03 0.01 -0.04 -0.04 0.93 0.83 2b26B1 LEU 272 HD23 -0.15 -0.02 -0.16 -0.04 0.89 0.53 2b26B1 PRO 273 HA -0.03 0.07 0.82 -0.51 4.44 4.80 2b26B1 PRO 273 HB2 -0.02 0.01 0.06 -0.04 2.28 2.28 2b26B1 PRO 273 HB3 -0.05 0.04 0.10 -0.04 2.02 2.07 2b26B1 PRO 273 HG2 -0.03 -0.03 0.23 -0.04 2.03 2.16 2b26B1 PRO 273 HG3 -0.04 0.03 0.13 -0.04 2.03 2.11 2b26B1 PRO 273 HD2 -0.03 0.05 0.31 -0.04 3.68 3.97 2b26B1 PRO 273 HD3 -0.16 0.35 0.22 -0.04 3.65 4.02 2b26B1 LEU 274 H 0.01 0.22 0.02 -0.55 8.37 8.07 2b26B1 LEU 274 HA -0.08 0.18 0.84 -0.75 4.35 4.54 2b26B1 LEU 274 HB2 0.00 -0.04 -0.10 -0.04 1.64 1.46 2b26B1 LEU 274 HB3 -0.02 0.05 -0.11 -0.04 1.64 1.51 2b26B1 LEU 274 HG -0.40 0.04 -0.25 -0.04 1.64 0.99 2b26B1 LEU 274 HD13 -0.42 0.01 -0.44 -0.04 0.93 0.03 2b26B1 LEU 274 HD23 -0.13 0.01 -0.18 -0.04 0.89 0.54 2b26B1 SER 275 H 0.01 0.10 0.12 -0.55 8.46 8.14 2b26B1 SER 275 HA 0.07 0.23 0.79 -0.75 4.49 4.82 2b26B1 SER 275 HB2 0.06 0.01 0.17 -0.04 3.95 4.15 2b26B1 SER 275 HB3 0.03 0.11 0.08 -0.04 3.93 4.12 2b26B1 PHE 276 H 0.19 0.28 0.17 -0.55 8.34 8.42 2b26B1 PHE 276 HA -0.01 0.11 0.26 -0.75 4.62 4.22 2b26B1 PHE 276 HB2 -0.09 0.26 0.18 -0.04 3.15 3.45 2b26B1 PHE 276 HB3 -0.07 -0.12 0.18 -0.04 3.06 3.02 2b26B1 PHE 276 HD2 -0.21 -0.02 -0.03 -0.04 7.28 6.99 2b26B1 PHE 276 HE2 -0.31 0.01 -0.02 -0.04 7.38 7.02 2b26B1 PHE 276 HZ -0.18 0.03 -0.02 -0.04 7.32 7.11 2b26B1 LYS 277 H 0.06 0.09 -0.04 -0.55 8.42 7.98 2b26B1 LYS 277 HA -0.28 0.10 0.35 -0.75 4.32 3.74 2b26B1 LYS 277 HB2 0.01 -0.06 0.10 -0.04 1.87 1.88 2b26B1 LYS 277 HB3 -0.03 0.10 -0.05 -0.04 1.79 1.77 2b26B1 LYS 277 HG2 -0.04 0.05 0.05 -0.04 1.46 1.48 2b26B1 LYS 277 HG3 0.04 -0.04 0.05 -0.04 1.46 1.47 2b26B1 LYS 277 HD2 0.03 -0.02 0.03 -0.04 1.69 1.68 2b26B1 LYS 277 HD3 0.01 0.05 0.01 -0.04 1.68 1.70 2b26B1 LYS 277 HE2 0.02 0.01 0.01 -0.04 2.99 2.99 2b26B1 LYS 277 HE3 0.02 0.03 0.01 -0.04 2.99 3.00 2b26B1 GLU 278 H 0.00 -0.01 -0.35 -0.55 8.60 7.70 2b26B1 GLU 278 HA 0.05 0.24 0.47 -0.75 4.29 4.30 2b26B1 GLU 278 HB2 0.22 0.22 0.08 -0.04 2.09 2.56 2b26B1 GLU 278 HB3 0.07 -0.05 0.07 -0.04 1.99 2.04 2b26B1 GLU 278 HG2 0.03 -0.28 0.14 -0.04 2.34 2.18 2b26B1 GLU 278 HG3 0.00 0.11 -0.12 -0.04 2.34 2.29 2b26B1 SER 279 H -0.04 0.47 -0.32 -0.55 8.46 8.03 2b26B1 SER 279 HA 0.08 0.06 0.44 -0.75 4.49 4.31 2b26B1 SER 279 HB2 0.04 -0.01 0.05 -0.04 3.95 4.00 2b26B1 SER 279 HB3 0.05 -0.07 -0.05 -0.04 3.93 3.83 2b26B1 LEU 280 H -0.14 0.21 -0.34 -0.55 8.37 7.55 2b26B1 LEU 280 HA -0.08 0.10 0.93 -0.75 4.35 4.55 2b26B1 LEU 280 HB2 -0.32 0.06 0.12 -0.04 1.64 1.45 2b26B1 LEU 280 HB3 -0.16 -0.01 -0.02 -0.04 1.64 1.41 2b26B1 LEU 280 HG -0.29 -0.01 -0.14 -0.04 1.64 1.16 2b26B1 LEU 280 HD13 -0.59 -0.01 -0.04 -0.04 0.93 0.24 2b26B1 LEU 280 HD23 -0.05 0.00 0.02 -0.04 0.89 0.81 2b26B1 LEU 281 H -0.08 0.57 0.19 -0.55 8.37 8.50 2b26B1 LEU 281 HA -0.06 0.20 0.83 -0.75 4.35 4.58 2b26B1 LEU 281 HB2 -0.04 0.07 0.06 -0.04 1.64 1.69 2b26B1 LEU 281 HB3 -0.04 -0.04 0.17 -0.04 1.64 1.70 2b26B1 LEU 281 HG -0.11 -0.03 0.01 -0.04 1.64 1.47 2b26B1 LEU 281 HD13 -0.04 -0.04 0.01 -0.04 0.93 0.82 2b26B1 LEU 281 HD23 -0.05 0.02 -0.05 -0.04 0.89 0.77 2b26B1 GLY 282 H -0.01 0.10 -0.52 -0.55 8.43 7.45 2b26B1 GLY 282 HA2 -0.23 -0.03 -0.05 -0.51 4.01 3.20 2b26B1 GLY 282 HA3 -0.12 0.17 0.53 -0.51 4.01 4.08 2b26B1 PHE 283 H -0.48 0.52 0.33 -0.55 8.34 8.15 2b26B1 PHE 283 HA 0.01 0.08 0.48 -0.75 4.62 4.44 2b26B1 PHE 283 HB2 0.03 -0.14 0.10 -0.04 3.15 3.10 2b26B1 PHE 283 HB3 0.01 0.13 -0.10 -0.04 3.06 3.06 2b26B1 PHE 283 HD2 0.03 0.20 -0.32 -0.04 7.28 7.15 2b26B1 PHE 283 HE2 0.02 0.00 -0.30 -0.04 7.38 7.07 2b26B1 PHE 283 HZ 0.13 0.00 -0.22 -0.04 7.32 7.18 2b26B1 SER 284 H 0.29 0.14 0.03 -0.55 8.46 8.37 2b26B1 SER 284 HA 0.18 0.19 0.72 -0.75 4.49 4.82 2b26B1 SER 284 HB2 0.07 -0.05 0.15 -0.04 3.95 4.08 2b26B1 SER 284 HB3 0.06 0.01 0.06 -0.04 3.93 4.02 2b26B1 LYS 285 H 0.28 0.76 0.29 -0.55 8.42 9.19 2b26B1 LYS 285 HA 0.07 0.16 0.93 -0.75 4.32 4.72 2b26B1 LYS 285 HB2 0.07 0.04 0.07 -0.04 1.87 2.00 2b26B1 LYS 285 HB3 0.02 -0.00 0.22 -0.04 1.79 1.99 2b26B1 LYS 285 HG2 0.08 -0.16 -0.14 -0.04 1.46 1.20 2b26B1 LYS 285 HG3 -0.10 0.05 -0.03 -0.04 1.46 1.34 2b26B1 LYS 285 HD2 0.02 0.01 0.08 -0.04 1.69 1.75 2b26B1 LYS 285 HD3 0.04 0.01 -0.05 -0.04 1.68 1.63 2b26B1 LYS 285 HE2 -0.00 -0.05 0.03 -0.04 2.99 2.93 2b26B1 LYS 285 HE3 -0.05 -0.06 0.01 -0.04 2.99 2.84 2b26B1 THR 286 H 0.00 0.19 0.23 -0.55 8.28 8.14 2b26B1 THR 286 HA -0.01 0.31 0.91 -0.75 4.39 4.84 2b26B1 THR 286 HB -0.02 -0.02 -0.01 -0.04 4.32 4.23 2b26B1 THR 286 HG23 -0.03 -0.00 -0.06 -0.04 1.22 1.09 2b26B1 ILE 287 H -0.08 0.20 0.12 -0.55 8.25 7.93 2b26B1 ILE 287 HA -0.24 0.04 0.47 -0.75 4.18 3.70 2b26B1 ILE 287 HB -0.60 0.14 0.01 -0.04 1.89 1.40 2b26B1 ILE 287 HG12 -0.54 -0.02 -0.20 -0.04 1.49 0.70 2b26B1 ILE 287 HG13 -0.17 -0.01 -0.61 -0.04 1.21 0.38 2b26B1 ILE 287 HG23 -0.22 -0.03 -0.22 -0.04 0.93 0.42 2b26B1 ILE 287 HD13 -0.97 -0.02 -0.07 -0.04 0.88 -0.22 2b26B1 GLN 288 H -0.12 0.13 0.08 -0.55 8.47 8.02 2b26B1 GLN 288 HA -0.03 0.12 0.62 -0.75 4.36 4.32 2b26B1 GLN 288 HB2 -0.03 -0.10 0.16 -0.04 2.15 2.15 2b26B1 GLN 288 HB3 0.02 0.13 -0.01 -0.04 2.02 2.13 2b26B1 GLN 288 HG2 -0.01 0.04 -0.02 -0.04 2.40 2.36 2b26B1 GLN 288 HG3 -0.02 -0.09 0.02 -0.04 2.39 2.26 2b26B1 GLN 288 HE21 0.00 -0.01 0.00 -0.04 6.97 6.92 2b26B1 GLN 288 HE22 -0.01 -0.06 -0.00 -0.04 7.69 7.58 2b26B1 THR 289 H -0.02 0.47 0.28 -0.55 8.28 8.45 2b26B1 THR 289 HA 0.02 0.07 0.33 -0.75 4.39 4.05 2b26B1 THR 289 HB -0.14 0.01 0.11 -0.04 4.32 4.25 2b26B1 THR 289 HG23 -0.05 0.02 -0.04 -0.04 1.22 1.11 2b26B1 ILE 290 H -0.38 0.26 0.13 -0.55 8.25 7.72 2b26B1 ILE 290 HA -0.12 0.05 0.35 -0.75 4.18 3.71 2b26B1 ILE 290 HB -0.57 -0.04 0.05 -0.04 1.89 1.29 2b26B1 ILE 290 HG12 -0.34 0.07 -0.11 -0.04 1.49 1.06 2b26B1 ILE 290 HG13 -0.79 0.04 -0.24 -0.04 1.21 0.18 2b26B1 ILE 290 HG23 -0.76 0.07 0.01 -0.04 0.93 0.22 2b26B1 ILE 290 HD13 -0.06 -0.04 -0.14 -0.04 0.88 0.59 2b26B1 ASP 291 H -0.42 0.09 -0.20 -0.55 8.40 7.32 2b26B1 ASP 291 HA -0.23 0.14 0.45 -0.75 4.63 4.23 2b26B1 ASP 291 HB2 0.16 0.01 0.07 -0.04 2.71 2.92 2b26B1 ASP 291 HB3 -0.10 0.09 0.04 -0.04 2.70 2.69 2b26B1 GLY 292 H -0.09 0.33 -0.66 -0.55 8.43 7.47 2b26B1 GLY 292 HA2 0.00 0.03 0.23 -0.51 4.01 3.76 2b26B1 GLY 292 HA3 0.01 0.17 0.80 -0.51 4.01 4.49 2b26B1 ARG 293 H -0.01 0.07 -0.23 -0.55 8.46 7.74 2b26B1 ARG 293 HA 0.00 0.07 0.38 -0.75 4.34 4.03 2b26B1 ARG 293 HB2 0.00 0.03 0.09 -0.04 1.90 1.98 2b26B1 ARG 293 HB3 0.01 0.03 0.05 -0.04 1.80 1.84 2b26B1 ARG 293 HG2 -0.02 -0.13 -0.08 -0.04 1.67 1.40 2b26B1 ARG 293 HG3 -0.01 0.01 -0.36 -0.04 1.67 1.27 2b26B1 ARG 293 HD2 0.01 0.02 -0.04 -0.04 3.22 3.16 2b26B1 ARG 293 HD3 0.00 0.02 -0.07 -0.04 3.22 3.13 2b26B1 THR 294 H -0.00 0.16 0.17 -0.55 8.28 8.06 2b26B1 THR 294 HA -0.02 0.19 1.01 -0.75 4.39 4.82 2b26B1 THR 294 HB -0.02 -0.06 -0.03 -0.04 4.32 4.17 2b26B1 THR 294 HG23 -0.01 0.02 -0.04 -0.04 1.22 1.16 2b26B1 LEU 295 H -0.04 0.50 0.25 -0.55 8.37 8.53 2b26B1 LEU 295 HA 0.01 0.20 0.83 -0.75 4.35 4.64 2b26B1 LEU 295 HB2 -0.03 -0.04 -0.03 -0.04 1.64 1.50 2b26B1 LEU 295 HB3 -0.09 -0.01 0.04 -0.04 1.64 1.54 2b26B1 LEU 295 HG 0.06 0.10 -0.17 -0.04 1.64 1.59 2b26B1 LEU 295 HD13 0.08 0.00 -0.02 -0.04 0.93 0.95 2b26B1 LEU 295 HD23 -0.08 -0.01 -0.10 -0.04 0.89 0.65 2b26B1 PRO 296 HA 0.04 0.18 0.78 -0.51 4.44 4.93 2b26B1 PRO 296 HB2 0.06 0.02 -0.03 -0.04 2.28 2.29 2b26B1 PRO 296 HB3 0.04 0.01 0.02 -0.04 2.02 2.05 2b26B1 PRO 296 HG2 0.08 0.02 0.19 -0.04 2.03 2.28 2b26B1 PRO 296 HG3 0.04 0.03 0.08 -0.04 2.03 2.14 2b26B1 PRO 296 HD2 0.06 0.09 0.25 -0.04 3.68 4.03 2b26B1 PRO 296 HD3 0.03 0.17 0.12 -0.04 3.65 3.93 2b26B1 LEU 297 H 0.08 0.73 0.19 -0.55 8.37 8.82 2b26B1 LEU 297 HA 0.21 0.14 0.73 -0.75 4.35 4.67 2b26B1 LEU 297 HB2 0.15 -0.11 -0.01 -0.04 1.64 1.63 2b26B1 LEU 297 HB3 0.29 -0.01 -0.07 -0.04 1.64 1.81 2b26B1 LEU 297 HG -0.08 0.05 -0.34 -0.04 1.64 1.23 2b26B1 LEU 297 HD13 -0.05 -0.00 -0.16 -0.04 0.93 0.68 2b26B1 LEU 297 HD23 -0.26 0.02 -0.27 -0.04 0.89 0.33 2b26B1 SER 298 H 0.15 0.31 0.06 -0.55 8.46 8.43 2b26B1 SER 298 HA -0.01 0.22 0.90 -0.75 4.49 4.84 2b26B1 SER 298 HB2 -0.04 0.10 0.11 -0.04 3.95 4.08 2b26B1 SER 298 HB3 0.05 -0.05 -0.07 -0.04 3.93 3.82 2b26B1 ARG 299 H -0.54 0.57 0.33 -0.55 8.46 8.26 2b26B1 ARG 299 HA -0.20 0.08 0.71 -0.75 4.34 4.18 2b26B1 ARG 299 HB2 -0.66 -0.02 -0.31 -0.04 1.90 0.87 2b26B1 ARG 299 HB3 -0.94 0.01 -0.10 -0.04 1.80 0.73 2b26B1 ARG 299 HG2 -0.20 0.39 -0.04 -0.04 1.67 1.78 2b26B1 ARG 299 HG3 -0.15 -0.12 0.12 -0.04 1.67 1.48 2b26B1 ARG 299 HD2 0.02 0.00 -0.10 -0.04 3.22 3.11 2b26B1 ARG 299 HD3 -0.01 -0.02 -0.14 -0.04 3.22 3.01 2b26B1 VAL 300 H -0.15 -0.01 0.21 -0.55 8.24 7.74 2b26B1 VAL 300 HA -0.13 0.23 0.94 -0.75 4.13 4.42 2b26B1 VAL 300 HB -0.08 -0.01 -0.05 -0.04 2.12 1.94 2b26B1 VAL 300 HG13 -0.06 -0.01 -0.08 -0.04 0.97 0.78 2b26B1 VAL 300 HG23 -0.05 0.01 0.04 -0.04 0.95 0.90 2b26B1 GLN 301 H -0.11 -0.16 0.16 -0.55 8.47 7.81 2b26B1 GLN 301 HA -0.06 0.21 0.70 -0.75 4.36 4.46 2b26B1 GLN 301 HB2 -0.06 -0.01 0.07 -0.04 2.15 2.11 2b26B1 GLN 301 HB3 -0.04 0.07 0.10 -0.04 2.02 2.11 2b26B1 GLN 301 HG2 -0.06 -0.18 0.02 -0.04 2.40 2.14 2b26B1 GLN 301 HG3 -0.04 0.00 0.04 -0.04 2.39 2.35 2b26B1 GLN 301 HE21 -0.03 -0.01 0.01 -0.04 6.97 6.90 2b26B1 GLN 301 HE22 -0.03 0.00 0.02 -0.04 7.69 7.65 2b26B1 PRO 302 HA -0.04 0.09 0.30 -0.51 4.44 4.28 2b26B1 PRO 302 HB2 -0.02 -0.00 0.04 -0.04 2.28 2.26 2b26B1 PRO 302 HB3 -0.05 0.06 0.31 -0.04 2.02 2.29 2b26B1 PRO 302 HG2 -0.02 -0.06 0.06 -0.04 2.03 1.97 2b26B1 PRO 302 HG3 -0.03 0.00 0.11 -0.04 2.03 2.07 2b26B1 PRO 302 HD2 -0.04 -0.03 0.26 -0.04 3.68 3.82 2b26B1 PRO 302 HD3 -0.05 0.33 0.25 -0.04 3.65 4.13 2b26B1 VAL 303 H -0.02 0.71 0.30 -0.55 8.24 8.68 2b26B1 VAL 303 HA -0.06 0.13 0.88 -0.75 4.13 4.32 2b26B1 VAL 303 HB -0.14 -0.02 -0.01 -0.04 2.12 1.90 2b26B1 VAL 303 HG13 -0.52 0.02 -0.26 -0.04 0.97 0.17 2b26B1 VAL 303 HG23 -0.03 0.01 -0.14 -0.04 0.95 0.75 2b26B1 GLN 304 H -0.03 0.14 0.09 -0.55 8.47 8.13 2b26B1 GLN 304 HA 0.02 0.14 0.52 -0.75 4.36 4.29 2b26B1 GLN 304 HB2 0.01 0.03 0.16 -0.04 2.15 2.31 2b26B1 GLN 304 HB3 0.03 -0.09 0.04 -0.04 2.02 1.96 2b26B1 GLN 304 HG2 0.02 0.01 -0.00 -0.04 2.40 2.39 2b26B1 GLN 304 HG3 0.02 -0.01 0.02 -0.04 2.39 2.38 2b26B1 GLN 304 HE21 0.01 0.04 -0.06 -0.04 6.97 6.91 2b26B1 GLN 304 HE22 0.01 -0.02 -0.01 -0.04 7.69 7.63 2b26B1 PRO 305 HA 0.06 0.03 0.30 -0.51 4.44 4.32 2b26B1 PRO 305 HB2 0.02 0.01 0.04 -0.04 2.28 2.31 2b26B1 PRO 305 HB3 0.05 -0.01 0.10 -0.04 2.02 2.13 2b26B1 PRO 305 HG2 0.06 0.02 0.09 -0.04 2.03 2.17 2b26B1 PRO 305 HG3 0.10 0.08 0.11 -0.04 2.03 2.28 2b26B1 PRO 305 HD2 0.03 0.03 0.20 -0.04 3.68 3.90 2b26B1 PRO 305 HD3 0.04 0.30 0.39 -0.04 3.65 4.34 2b26B1 SER 306 H 0.04 -0.01 -0.58 -0.55 8.46 7.37 2b26B1 SER 306 HA 0.06 0.19 0.66 -0.75 4.49 4.64 2b26B1 SER 306 HB2 0.03 0.00 0.09 -0.04 3.95 4.03 2b26B1 SER 306 HB3 0.02 0.01 0.05 -0.04 3.93 3.97 2b26B1 GLN 307 H 0.10 0.78 -0.23 -0.55 8.47 8.57 2b26B1 GLN 307 HA 0.08 0.06 0.50 -0.75 4.36 4.25 2b26B1 GLN 307 HB2 0.05 -0.13 0.14 -0.04 2.15 2.17 2b26B1 GLN 307 HB3 0.08 0.15 0.08 -0.04 2.02 2.29 2b26B1 GLN 307 HG2 0.20 0.03 -0.15 -0.04 2.40 2.44 2b26B1 GLN 307 HG3 0.09 -0.03 0.08 -0.04 2.39 2.49 2b26B1 GLN 307 HE21 0.05 0.03 -0.03 -0.04 6.97 6.98 2b26B1 GLN 307 HE22 0.14 -0.02 -0.13 -0.04 7.69 7.65 2b26B1 THR 308 H 0.13 0.13 0.09 -0.55 8.28 8.08 2b26B1 THR 308 HA 0.17 0.33 0.78 -0.75 4.39 4.92 2b26B1 THR 308 HB 0.08 -0.04 -0.08 -0.04 4.32 4.24 2b26B1 THR 308 HG23 0.05 0.06 -0.10 -0.04 1.22 1.19 2b26B1 SER 309 H 0.26 0.36 0.19 -0.55 8.46 8.73 2b26B1 SER 309 HA 0.15 0.08 0.79 -0.75 4.49 4.76 2b26B1 SER 309 HB2 0.43 0.02 0.11 -0.04 3.95 4.48 2b26B1 SER 309 HB3 0.34 0.05 -0.01 -0.04 3.93 4.27 2b26B1 THR 310 H 0.06 0.16 0.21 -0.55 8.28 8.16 2b26B1 THR 310 HA 0.18 0.21 0.96 -0.75 4.39 4.98 2b26B1 THR 310 HB 0.02 -0.00 0.15 -0.04 4.32 4.44 2b26B1 THR 310 HG23 0.05 -0.02 -0.10 -0.04 1.22 1.11 2b26B1 TYR 311 H 0.30 0.67 0.27 -0.55 8.29 8.98 2b26B1 TYR 311 HA 0.02 0.24 1.00 -0.75 4.56 5.07 2b26B1 TYR 311 HB2 0.01 0.00 0.21 -0.04 3.06 3.24 2b26B1 TYR 311 HB3 0.01 0.04 0.05 -0.04 2.98 3.04 2b26B1 TYR 311 HD2 0.04 -0.00 -0.22 -0.04 7.15 6.92 2b26B1 TYR 311 HE2 0.08 0.02 -0.11 -0.04 6.85 6.80 2b26B1 PRO 312 HA 0.03 -0.09 0.41 -0.51 4.44 4.28 2b26B1 PRO 312 HB2 0.01 0.06 0.03 -0.04 2.28 2.34 2b26B1 PRO 312 HB3 0.01 0.02 0.08 -0.04 2.02 2.09 2b26B1 PRO 312 HG2 -0.02 0.06 0.07 -0.04 2.03 2.10 2b26B1 PRO 312 HG3 0.00 -0.02 0.02 -0.04 2.03 2.00 2b26B1 PRO 312 HD2 -0.04 0.12 0.20 -0.04 3.68 3.93 2b26B1 PRO 312 HD3 -0.04 0.46 -0.00 -0.04 3.65 4.03 2b26B1 GLY 313 H 0.02 0.18 0.07 -0.55 8.43 8.15 2b26B1 GLY 313 HA2 0.02 0.09 0.30 -0.51 4.01 3.91 2b26B1 GLY 313 HA3 0.02 0.05 0.37 -0.51 4.01 3.94 2b26B1 GLN 314 H 0.02 0.07 -0.39 -0.55 8.47 7.62 2b26B1 GLN 314 HA -0.04 0.16 0.81 -0.75 4.36 4.54 2b26B1 GLN 314 HB2 0.02 0.19 0.06 -0.04 2.15 2.38 2b26B1 GLN 314 HB3 -0.08 -0.13 0.11 -0.04 2.02 1.89 2b26B1 GLN 314 HG2 0.05 0.21 -0.29 -0.04 2.40 2.33 2b26B1 GLN 314 HG3 0.08 -0.07 -0.08 -0.04 2.39 2.29 2b26B1 GLN 314 HE21 0.01 -0.06 -0.08 -0.04 6.97 6.80 2b26B1 GLN 314 HE22 0.05 0.01 -0.08 -0.04 7.69 7.63 2b26B1 GLY 315 H -0.02 0.34 -0.27 -0.55 8.43 7.94 2b26B1 GLY 315 HA2 -0.15 -0.03 0.38 -0.51 4.01 3.69 2b26B1 GLY 315 HA3 -0.04 0.06 0.09 -0.51 4.01 3.61 2b26B1 MET 316 H -0.00 0.55 0.23 -0.55 8.47 8.70 2b26B1 MET 316 HA 0.17 0.22 0.82 -0.75 4.52 4.98 2b26B1 MET 316 HB2 0.03 -0.01 -0.07 -0.04 2.15 2.06 2b26B1 MET 316 HB3 0.08 0.11 -0.05 -0.04 2.03 2.13 2b26B1 MET 316 HG2 -0.08 -0.11 -0.40 -0.04 2.63 2.00 2b26B1 MET 316 HG3 0.00 -0.04 -0.18 -0.04 2.56 2.30 2b26B1 MET 316 HE3 0.11 -0.02 -0.07 -0.04 2.10 2.07 2b26B1 PRO 317 HA 0.02 0.23 0.62 -0.51 4.44 4.80 2b26B1 PRO 317 HB2 -0.06 0.10 -0.11 -0.04 2.28 2.16 2b26B1 PRO 317 HB3 -0.11 0.08 0.13 -0.04 2.02 2.07 2b26B1 PRO 317 HG2 0.00 -0.11 0.13 -0.04 2.03 2.02 2b26B1 PRO 317 HG3 -0.16 0.40 0.29 -0.04 2.03 2.52 2b26B1 PRO 317 HD2 0.25 -0.01 0.23 -0.04 3.68 4.10 2b26B1 PRO 317 HD3 0.29 0.16 0.17 -0.04 3.65 4.22 2b26B1 THR 318 H 0.02 0.50 0.17 -0.55 8.28 8.42 2b26B1 THR 318 HA 0.03 -0.01 0.24 -0.75 4.39 3.90 2b26B1 THR 318 HB 0.02 -0.08 0.07 -0.04 4.32 4.29 2b26B1 THR 318 HG23 0.02 0.06 -0.29 -0.04 1.22 0.96 2b26B1 PRO 319 HA 0.08 0.33 0.57 -0.51 4.44 4.91 2b26B1 PRO 319 HB2 0.05 -0.08 0.02 -0.04 2.28 2.22 2b26B1 PRO 319 HB3 0.08 0.04 0.12 -0.04 2.02 2.21 2b26B1 PRO 319 HG2 0.04 -0.07 0.04 -0.04 2.03 2.00 2b26B1 PRO 319 HG3 0.07 0.20 0.02 -0.04 2.03 2.28 2b26B1 PRO 319 HD2 0.03 -0.02 0.17 -0.04 3.68 3.82 2b26B1 PRO 319 HD3 0.04 0.07 0.13 -0.04 3.65 3.85 2b26B1 LYS 320 H 0.03 -0.05 -0.29 -0.55 8.42 7.55 2b26B1 LYS 320 HA 0.03 0.12 0.52 -0.75 4.32 4.23 2b26B1 LYS 320 HB2 0.02 -0.02 0.08 -0.04 1.87 1.91 2b26B1 LYS 320 HB3 0.01 -0.21 0.18 -0.04 1.79 1.73 2b26B1 LYS 320 HG2 0.02 0.03 0.01 -0.04 1.46 1.47 2b26B1 LYS 320 HG3 0.01 -0.03 0.03 -0.04 1.46 1.42 2b26B1 LYS 320 HD2 0.01 -0.08 -0.01 -0.04 1.69 1.57 2b26B1 LYS 320 HD3 0.01 0.19 -0.63 -0.04 1.68 1.21 2b26B1 LYS 320 HE2 0.01 -0.01 -0.06 -0.04 2.99 2.88 2b26B1 LYS 320 HE3 0.01 0.03 -0.05 -0.04 2.99 2.93 2b26B1 ASN 321 H 0.01 0.04 0.04 -0.55 8.53 8.07 2b26B1 ASN 321 HA -0.01 0.38 1.02 -0.75 4.76 5.39 2b26B1 ASN 321 HB2 -0.00 0.00 0.04 -0.04 2.88 2.88 2b26B1 ASN 321 HB3 -0.00 -0.08 0.20 -0.04 2.79 2.86 2b26B1 ASN 321 HD21 -0.02 -0.00 0.03 -0.04 7.03 7.00 2b26B1 ASN 321 HD22 -0.01 0.12 0.07 -0.04 7.74 7.87 2b26B1 PRO 322 HA -0.04 0.16 0.26 -0.51 4.44 4.31 2b26B1 PRO 322 HB2 -0.08 -0.07 -0.00 -0.04 2.28 2.09 2b26B1 PRO 322 HB3 -0.11 0.06 0.09 -0.04 2.02 2.02 2b26B1 PRO 322 HG2 -0.08 -0.03 0.12 -0.04 2.03 1.99 2b26B1 PRO 322 HG3 -0.06 0.41 0.07 -0.04 2.03 2.40 2b26B1 PRO 322 HD2 -0.03 -0.02 0.23 -0.04 3.68 3.81 2b26B1 PRO 322 HD3 -0.02 0.51 0.09 -0.04 3.65 4.19 2b26B1 SER 323 H -0.02 -0.08 -0.98 -0.55 8.46 6.83 2b26B1 SER 323 HA -0.03 0.04 0.39 -0.75 4.49 4.14 2b26B1 SER 323 HB2 -0.01 -0.02 0.04 -0.04 3.95 3.92 2b26B1 SER 323 HB3 -0.01 -0.03 0.04 -0.04 3.93 3.89 2b26B1 GLN 324 H -0.01 0.76 0.06 -0.55 8.47 8.73 2b26B1 GLN 324 HA 0.01 0.10 0.73 -0.75 4.36 4.45 2b26B1 GLN 324 HB2 0.00 0.04 0.12 -0.04 2.15 2.27 2b26B1 GLN 324 HB3 0.01 -0.05 -0.01 -0.04 2.02 1.94 2b26B1 GLN 324 HG2 0.00 -0.03 -0.02 -0.04 2.40 2.31 2b26B1 GLN 324 HG3 0.00 -0.05 0.03 -0.04 2.39 2.33 2b26B1 GLN 324 HE21 0.01 -0.00 0.02 -0.04 6.97 6.95 2b26B1 GLN 324 HE22 0.01 -0.04 0.01 -0.04 7.69 7.63 2b26B1 ARG 325 H 0.02 0.16 0.19 -0.55 8.46 8.28 2b26B1 ARG 325 HA 0.03 0.23 0.88 -0.75 4.34 4.72 2b26B1 ARG 325 HB2 0.04 -0.09 -0.04 -0.04 1.90 1.77 2b26B1 ARG 325 HB3 0.05 0.01 -0.35 -0.04 1.80 1.47 2b26B1 ARG 325 HG2 0.09 -0.02 -0.48 -0.04 1.67 1.22 2b26B1 ARG 325 HG3 0.04 0.09 -0.63 -0.04 1.67 1.12 2b26B1 ARG 325 HD2 0.20 0.01 -0.16 -0.04 3.22 3.23 2b26B1 ARG 325 HD3 0.09 -0.02 -0.12 -0.04 3.22 3.13 2b26B1 GLY 326 H 0.02 0.67 0.29 -0.55 8.43 8.87 2b26B1 GLY 326 HA2 0.01 -0.03 0.41 -0.51 4.01 3.89 2b26B1 GLY 326 HA3 0.01 0.19 0.15 -0.51 4.01 3.85 2b26B1 ASN 327 H 0.01 0.06 0.10 -0.55 8.53 8.15 2b26B1 ASN 327 HA 0.02 -0.01 0.52 -0.75 4.76 4.54 2b26B1 ASN 327 HB2 0.03 0.03 -0.14 -0.04 2.88 2.77 2b26B1 ASN 327 HB3 0.05 -0.01 -0.13 -0.04 2.79 2.65 2b26B1 ASN 327 HD21 0.02 0.04 -0.00 -0.04 7.03 7.04 2b26B1 ASN 327 HD22 0.02 0.01 -0.06 -0.04 7.74 7.67 2b26B1 LEU 328 H 0.07 0.35 0.03 -0.55 8.37 8.27 2b26B1 LEU 328 HA -0.05 0.12 0.83 -0.75 4.35 4.50 2b26B1 LEU 328 HB2 -0.11 0.15 -0.17 -0.04 1.64 1.47 2b26B1 LEU 328 HB3 0.04 0.11 0.18 -0.04 1.64 1.93 2b26B1 LEU 328 HG -0.00 -0.02 -0.57 -0.04 1.64 1.01 2b26B1 LEU 328 HD13 -0.04 0.02 -0.19 -0.04 0.93 0.68 2b26B1 LEU 328 HD23 -0.15 -0.01 -0.11 -0.04 0.89 0.58 2b26B1 ILE 329 H 0.03 0.88 0.32 -0.55 8.25 8.93 2b26B1 ILE 329 HA 0.10 0.18 1.01 -0.75 4.18 4.71 2b26B1 ILE 329 HB 0.04 -0.01 0.12 -0.04 1.89 2.00 2b26B1 ILE 329 HG12 0.03 -0.02 -0.15 -0.04 1.49 1.31 2b26B1 ILE 329 HG13 0.03 0.00 -0.09 -0.04 1.21 1.11 2b26B1 ILE 329 HG23 0.04 0.01 -0.24 -0.04 0.93 0.70 2b26B1 ILE 329 HD13 0.06 0.00 -0.20 -0.04 0.88 0.70 2b26B1 VAL 330 H 0.10 0.60 0.33 -0.55 8.24 8.71 2b26B1 VAL 330 HA -0.00 0.39 1.13 -0.75 4.13 4.90 2b26B1 VAL 330 HB 0.05 -0.03 0.17 -0.04 2.12 2.27 2b26B1 VAL 330 HG13 -0.35 -0.02 -0.13 -0.04 0.97 0.43 2b26B1 VAL 330 HG23 -0.10 -0.01 -0.16 -0.04 0.95 0.64 2b26B1 LYS 331 H -0.23 0.66 0.48 -0.55 8.42 8.77 2b26B1 LYS 331 HA -0.11 0.27 0.90 -0.75 4.32 4.62 2b26B1 LYS 331 HB2 -0.14 -0.06 -0.05 -0.04 1.87 1.57 2b26B1 LYS 331 HB3 -0.05 0.05 0.12 -0.04 1.79 1.87 2b26B1 LYS 331 HG2 -0.05 -0.09 -0.41 -0.04 1.46 0.88 2b26B1 LYS 331 HG3 -0.05 -0.03 -0.17 -0.04 1.46 1.17 2b26B1 LYS 331 HD2 0.00 0.06 -0.03 -0.04 1.69 1.68 2b26B1 LYS 331 HD3 0.01 0.02 -0.11 -0.04 1.68 1.56 2b26B1 LYS 331 HE2 0.01 -0.01 -0.08 -0.04 2.99 2.87 2b26B1 LYS 331 HE3 0.00 -0.04 -0.12 -0.04 2.99 2.79 2b26B1 TYR 332 H 0.08 0.32 0.22 -0.55 8.29 8.35 2b26B1 TYR 332 HA -0.06 0.36 1.05 -0.75 4.56 5.15 2b26B1 TYR 332 HB2 0.02 0.14 0.05 -0.04 3.06 3.22 2b26B1 TYR 332 HB3 -0.01 -0.09 -0.02 -0.04 2.98 2.81 2b26B1 TYR 332 HD2 -0.03 0.09 -0.17 -0.04 7.15 7.00 2b26B1 TYR 332 HE2 0.10 -0.07 -0.20 -0.04 6.85 6.64 2b26B1 LYS 333 H 0.05 0.46 0.16 -0.55 8.42 8.54 2b26B1 LYS 333 HA 0.03 0.18 0.83 -0.75 4.32 4.61 2b26B1 LYS 333 HB2 -0.04 0.04 -0.12 -0.04 1.87 1.71 2b26B1 LYS 333 HB3 -0.04 -0.03 0.08 -0.04 1.79 1.77 2b26B1 LYS 333 HG2 -0.02 -0.02 -0.00 -0.04 1.46 1.38 2b26B1 LYS 333 HG3 0.01 -0.00 -0.20 -0.04 1.46 1.23 2b26B1 LYS 333 HD2 -0.00 0.04 -0.02 -0.04 1.69 1.66 2b26B1 LYS 333 HD3 -0.03 0.01 -0.04 -0.04 1.68 1.58 2b26B1 LYS 333 HE2 -0.01 -0.02 -0.04 -0.04 2.99 2.88 2b26B1 LYS 333 HE3 0.00 -0.01 -0.06 -0.04 2.99 2.88 2b26B1 VAL 334 H 0.08 0.22 -0.04 -0.55 8.24 7.95 2b26B1 VAL 334 HA 0.09 0.17 0.59 -0.75 4.13 4.22 2b26B1 VAL 334 HB 0.11 0.01 -0.03 -0.04 2.12 2.16 2b26B1 VAL 334 HG13 0.14 0.01 0.09 -0.04 0.97 1.16 2b26B1 VAL 334 HG23 0.26 0.01 -0.43 -0.04 0.95 0.74 2b26B1 ASP 335 H 0.09 0.66 0.29 -0.55 8.40 8.89 2b26B1 ASP 335 HA 0.09 0.06 0.43 -0.75 4.63 4.45 2b26B1 ASP 335 HB2 0.05 0.11 0.19 -0.04 2.71 3.02 2b26B1 ASP 335 HB3 0.08 -0.22 0.33 -0.04 2.70 2.85 2b26B1 TYR 336 H 0.21 0.24 0.29 -0.55 8.29 8.48 2b26B1 TYR 336 HA 0.01 -0.01 0.45 -0.75 4.56 4.26 2b26B1 TYR 336 HB2 0.01 0.03 0.17 -0.04 3.06 3.23 2b26B1 TYR 336 HB3 -0.06 0.17 -0.01 -0.04 2.98 3.04 2b26B1 TYR 336 HD2 0.03 0.05 -0.04 -0.04 7.15 7.15 2b26B1 TYR 336 HE2 0.10 -0.01 -0.01 -0.04 6.85 6.88 2b26B1 PRO 337 HA -0.14 -0.01 0.44 -0.51 4.44 4.22 2b26B1 PRO 337 HB2 -0.28 0.04 -0.06 -0.04 2.28 1.94 2b26B1 PRO 337 HB3 -0.26 0.02 0.15 -0.04 2.02 1.89 2b26B1 PRO 337 HG2 -1.17 0.04 0.07 -0.04 2.03 0.93 2b26B1 PRO 337 HG3 -0.82 -0.01 0.12 -0.04 2.03 1.27 2b26B1 PRO 337 HD2 -1.23 0.13 0.17 -0.04 3.68 2.70 2b26B1 PRO 337 HD3 -1.41 0.09 0.23 -0.04 3.65 2.52 2b26B1 ILE 338 H -0.05 -0.01 0.24 -0.55 8.25 7.88 2b26B1 ILE 338 HA 0.01 0.24 0.87 -0.75 4.18 4.54 2b26B1 ILE 338 HB -0.01 -0.03 0.12 -0.04 1.89 1.92 2b26B1 ILE 338 HG12 0.00 0.00 0.08 -0.04 1.49 1.53 2b26B1 ILE 338 HG13 0.01 0.09 -0.02 -0.04 1.21 1.25 2b26B1 ILE 338 HG23 -0.01 -0.03 -0.13 -0.04 0.93 0.71 2b26B1 ILE 338 HD13 -0.00 -0.01 -0.00 -0.04 0.88 0.82 2b26B1 SER 339 H -0.04 0.06 0.24 -0.55 8.46 8.18 2b26B1 SER 339 HA -0.02 0.20 0.70 -0.75 4.49 4.61 2b26B1 SER 339 HB2 -0.01 0.07 -0.05 -0.04 3.95 3.91 2b26B1 SER 339 HB3 -0.02 -0.05 0.01 -0.04 3.93 3.83 2b26B1 LEU 340 H -0.02 0.24 0.17 -0.55 8.37 8.21 2b26B1 LEU 340 HA -0.05 0.17 0.91 -0.75 4.35 4.63 2b26B1 LEU 340 HB2 -0.03 0.03 -0.13 -0.04 1.64 1.46 2b26B1 LEU 340 HB3 -0.02 0.01 -0.09 -0.04 1.64 1.49 2b26B1 LEU 340 HG -0.05 -0.14 0.02 -0.04 1.64 1.43 2b26B1 LEU 340 HD13 -0.13 0.05 -0.05 -0.04 0.93 0.76 2b26B1 LEU 340 HD23 -0.04 0.02 -0.12 -0.04 0.89 0.72 2b26B1 ASN 341 H -0.02 0.13 0.18 -0.55 8.53 8.28 2b26B1 ASN 341 HA -0.01 0.30 1.00 -0.75 4.76 5.30 2b26B1 ASN 341 HB2 -0.01 0.00 0.14 -0.04 2.88 2.97 2b26B1 ASN 341 HB3 -0.01 0.12 -0.03 -0.04 2.79 2.83 2b26B1 ASN 341 HD21 -0.01 0.05 0.05 -0.04 7.03 7.08 2b26B1 ASN 341 HD22 -0.01 0.10 0.00 -0.04 7.74 7.79 2b26B1 ASP 342 H -0.01 0.23 0.15 -0.55 8.40 8.22 2b26B1 ASP 342 HA -0.00 0.10 0.35 -0.75 4.63 4.32 2b26B1 ASP 342 HB2 -0.00 -0.05 0.12 -0.04 2.71 2.74 2b26B1 ASP 342 HB3 -0.00 0.08 0.06 -0.04 2.70 2.80 2b26B1 ALA 343 H -0.00 0.03 -0.24 -0.55 8.40 7.64 2b26B1 ALA 343 HA 0.00 0.11 0.41 -0.75 4.34 4.11 2b26B1 ALA 343 HB3 0.00 0.00 0.07 -0.04 1.41 1.44 2b26B1 GLN 344 H -0.00 0.01 -0.00 -0.55 8.47 7.93 2b26B1 GLN 344 HA 0.01 0.06 0.37 -0.75 4.36 4.04 2b26B1 GLN 344 HB2 -0.02 -0.10 0.16 -0.04 2.15 2.15 2b26B1 GLN 344 HB3 -0.02 0.08 0.08 -0.04 2.02 2.12 2b26B1 GLN 344 HG2 0.00 0.05 0.09 -0.04 2.40 2.50 2b26B1 GLN 344 HG3 -0.01 -0.11 0.14 -0.04 2.39 2.37 2b26B1 GLN 344 HE21 -0.05 0.03 0.06 -0.04 6.97 6.97 2b26B1 GLN 344 HE22 -0.01 0.03 0.05 -0.04 7.69 7.72 2b26B1 LYS 345 H -0.01 0.60 -0.25 -0.55 8.42 8.21 2b26B1 LYS 345 HA -0.00 0.00 0.28 -0.75 4.32 3.85 2b26B1 LYS 345 HB2 -0.00 0.16 0.05 -0.04 1.87 2.04 2b26B1 LYS 345 HB3 0.00 0.01 -0.09 -0.04 1.79 1.67 2b26B1 LYS 345 HG2 -0.01 -0.03 -0.09 -0.04 1.46 1.29 2b26B1 LYS 345 HG3 -0.01 -0.01 -0.35 -0.04 1.46 1.06 2b26B1 LYS 345 HD2 -0.00 0.00 -0.12 -0.04 1.69 1.53 2b26B1 LYS 345 HD3 -0.00 0.03 -0.09 -0.04 1.68 1.58 2b26B1 LYS 345 HE2 -0.00 0.03 -0.08 -0.04 2.99 2.89 2b26B1 LYS 345 HE3 -0.01 -0.02 -0.15 -0.04 2.99 2.77 2b26B1 ARG 346 H 0.00 0.44 -0.02 -0.55 8.46 8.32 2b26B1 ARG 346 HA 0.01 -0.01 0.38 -0.75 4.34 3.96 2b26B1 ARG 346 HB2 0.00 0.07 0.15 -0.04 1.90 2.08 2b26B1 ARG 346 HB3 0.00 -0.03 0.05 -0.04 1.80 1.78 2b26B1 ARG 346 HG2 0.00 -0.06 0.07 -0.04 1.67 1.64 2b26B1 ARG 346 HG3 0.00 0.29 0.21 -0.04 1.67 2.13 2b26B1 ARG 346 HD2 0.00 -0.02 0.02 -0.04 3.22 3.18 2b26B1 ARG 346 HD3 0.00 -0.02 0.01 -0.04 3.22 3.18 2b26B1 ALA 347 H 0.01 0.35 -0.19 -0.55 8.40 8.02 2b26B1 ALA 347 HA 0.01 -0.00 0.33 -0.75 4.34 3.92 2b26B1 ALA 347 HB3 0.02 0.01 0.08 -0.04 1.41 1.47 2b26B1 ILE 348 H 0.02 0.44 -0.05 -0.55 8.25 8.11 2b26B1 ILE 348 HA 0.03 0.02 0.48 -0.75 4.18 3.96 2b26B1 ILE 348 HB 0.02 0.06 0.12 -0.04 1.89 2.05 2b26B1 ILE 348 HG12 0.04 -0.05 -0.00 -0.04 1.49 1.44 2b26B1 ILE 348 HG13 0.08 0.00 0.03 -0.04 1.21 1.28 2b26B1 ILE 348 HG23 0.04 -0.01 -0.11 -0.04 0.93 0.81 2b26B1 ILE 348 HD13 0.04 -0.04 -0.00 -0.04 0.88 0.83 2b26B1 ASP 349 H 0.01 0.54 -0.19 -0.55 8.40 8.22 2b26B1 ASP 349 HA 0.02 -0.02 0.16 -0.75 4.63 4.04 2b26B1 ASP 349 HB2 0.01 0.01 0.02 -0.04 2.71 2.71 2b26B1 ASP 349 HB3 0.01 0.08 0.13 -0.04 2.70 2.88