============================================================================= 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 5 1.000 13.398 3.830 -7.071 -99.200 -91.000 HIS 6 0.900 10.701 -4.058 -8.255 -99.200 -91.000 HIS 14 0.900 -7.820 -7.599 2.558 -99.200 -91.000 TYR 40 0.840 -12.201 -3.979 3.020 -99.200 -91.000 PHE 42 1.000 -6.117 -3.269 0.062 -99.200 -91.000 TRP 46 1.040 5.411 -0.270 2.253 -99.200 -91.000 TRP6 46 1.020 4.685 0.753 0.207 -99.200 -91.000 HIS 51 0.900 17.049 -3.745 6.588 -99.200 -91.000 HIS 53 0.900 9.584 0.572 7.491 -99.200 -91.000 TRP 56 1.040 -1.488 -2.878 8.554 -99.200 -91.000 TRP6 56 1.020 -3.288 -4.231 7.739 -99.200 -91.000 TYR 59 0.840 -6.269 -0.115 -3.738 -99.200 -91.000 TYR 74 0.840 -3.752 -8.552 -0.164 -99.200 -91.000 PHE 78 1.000 -4.056 -12.852 0.088 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dy7A17 GLN 172 HA -0.01 -0.07 0.17 -0.75 4.36 3.70 2dy7A17 GLN 172 HB2 -0.01 -0.01 0.08 -0.04 2.15 2.16 2dy7A17 GLN 172 HB3 -0.02 -0.03 -0.06 -0.04 2.02 1.87 2dy7A17 GLN 172 HG2 -0.01 -0.01 0.03 -0.04 2.40 2.37 2dy7A17 GLN 172 HG3 -0.01 -0.01 0.01 -0.04 2.39 2.34 2dy7A17 GLN 172 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.91 2dy7A17 GLN 172 HE22 -0.00 0.00 -0.00 -0.04 7.69 7.64 2dy7A17 PRO 173 HA -0.05 -0.00 0.46 -0.51 4.44 4.34 2dy7A17 PRO 173 HB2 -0.07 0.06 -0.05 -0.04 2.28 2.18 2dy7A17 PRO 173 HB3 -0.04 -0.01 0.07 -0.04 2.02 1.99 2dy7A17 PRO 173 HG2 -0.05 0.01 0.08 -0.04 2.03 2.03 2dy7A17 PRO 173 HG3 -0.03 -0.00 0.06 -0.04 2.03 2.01 2dy7A17 PRO 173 HD2 -0.03 0.27 0.13 -0.04 3.68 4.01 2dy7A17 PRO 173 HD3 -0.02 0.03 0.12 -0.04 3.65 3.74 2dy7A17 GLU 174 H -0.07 0.10 0.20 -0.55 8.60 8.29 2dy7A17 GLU 174 HA -0.11 -0.01 0.39 -0.75 4.29 3.80 2dy7A17 GLU 174 HB2 -0.03 0.04 0.14 -0.04 2.09 2.20 2dy7A17 GLU 174 HB3 -0.10 -0.01 0.21 -0.04 1.99 2.05 2dy7A17 GLU 174 HG2 -0.47 0.02 -0.29 -0.04 2.34 1.56 2dy7A17 GLU 174 HG3 -0.20 -0.08 -0.01 -0.04 2.34 2.01 2dy7A17 ASP 175 H -0.30 0.04 0.20 -0.55 8.40 7.79 2dy7A17 ASP 175 HA -0.54 0.09 0.53 -0.75 4.63 3.96 2dy7A17 ASP 175 HB2 -0.19 0.15 -0.33 -0.04 2.71 2.31 2dy7A17 ASP 175 HB3 -0.24 -0.05 0.10 -0.04 2.70 2.46 2dy7A17 PHE 176 H -0.77 -0.04 0.12 -0.55 8.34 7.09 2dy7A17 PHE 176 HA -0.04 0.02 0.33 -0.75 4.62 4.17 2dy7A17 PHE 176 HB2 0.02 0.08 0.02 -0.04 3.15 3.22 2dy7A17 PHE 176 HB3 -0.01 -0.01 0.12 -0.04 3.06 3.13 2dy7A17 PHE 176 HD2 -0.01 0.03 -0.28 -0.04 7.28 6.98 2dy7A17 PHE 176 HE2 -0.01 0.00 -0.07 -0.04 7.38 7.26 2dy7A17 PHE 176 HZ -0.01 0.02 -0.06 -0.04 7.32 7.22 2dy7A17 HIS 177 H 0.27 0.09 0.14 -0.55 8.41 8.37 2dy7A17 HIS 177 HA 0.15 0.15 0.85 -0.75 4.63 5.02 2dy7A17 HIS 177 HB2 0.09 -0.07 0.07 -0.04 3.26 3.31 2dy7A17 HIS 177 HB3 0.07 0.10 -0.19 -0.04 3.20 3.14 2dy7A17 HIS 177 HD2 0.03 -0.05 -0.04 -0.04 6.97 6.86 2dy7A17 HIS 177 HE1 0.00 -0.05 0.01 -0.04 7.75 7.66 2dy7A17 GLY 178 H 0.29 0.10 0.04 -0.55 8.43 8.31 2dy7A17 GLY 178 HA2 0.26 0.03 0.45 -0.51 4.01 4.24 2dy7A17 GLY 178 HA3 0.23 0.19 0.48 -0.51 4.01 4.40 2dy7A17 ILE 179 H 0.04 0.23 0.09 -0.55 8.25 8.07 2dy7A17 ILE 179 HA -0.63 0.05 0.44 -0.75 4.18 3.28 2dy7A17 ILE 179 HB -0.23 -0.12 -0.06 -0.04 1.89 1.45 2dy7A17 ILE 179 HG12 -0.80 0.05 -0.17 -0.04 1.49 0.52 2dy7A17 ILE 179 HG13 -1.31 0.01 -0.07 -0.04 1.21 -0.20 2dy7A17 ILE 179 HG23 -0.24 0.01 -0.19 -0.04 0.93 0.47 2dy7A17 ILE 179 HD13 -0.41 -0.01 -0.08 -0.04 0.88 0.34 2dy7A17 ASP 180 H -0.35 0.23 0.16 -0.55 8.40 7.89 2dy7A17 ASP 180 HA -0.13 0.06 0.67 -0.75 4.63 4.48 2dy7A17 ASP 180 HB2 -0.02 0.01 0.07 -0.04 2.71 2.73 2dy7A17 ASP 180 HB3 -0.11 0.12 0.13 -0.04 2.70 2.80 2dy7A17 ILE 181 H -0.33 0.38 0.22 -0.55 8.25 7.97 2dy7A17 ILE 181 HA -0.19 0.11 0.55 -0.75 4.18 3.89 2dy7A17 ILE 181 HB -0.15 -0.01 -0.07 -0.04 1.89 1.61 2dy7A17 ILE 181 HG12 -0.09 0.03 0.12 -0.04 1.49 1.52 2dy7A17 ILE 181 HG13 -0.10 0.03 -0.62 -0.04 1.21 0.48 2dy7A17 ILE 181 HG23 -0.12 -0.03 -0.28 -0.04 0.93 0.46 2dy7A17 ILE 181 HD13 -0.05 -0.02 -0.08 -0.04 0.88 0.70 2dy7A17 VAL 182 H -0.25 0.24 0.02 -0.55 8.24 7.69 2dy7A17 VAL 182 HA -0.57 0.17 0.84 -0.75 4.13 3.82 2dy7A17 VAL 182 HB -0.70 0.06 0.15 -0.04 2.12 1.58 2dy7A17 VAL 182 HG13 -1.65 0.00 -0.11 -0.04 0.97 -0.83 2dy7A17 VAL 182 HG23 -0.38 0.00 -0.29 -0.04 0.95 0.24 2dy7A17 ILE 183 H -0.42 0.23 0.19 -0.55 8.25 7.70 2dy7A17 ILE 183 HA -0.17 0.04 0.33 -0.75 4.18 3.62 2dy7A17 ILE 183 HB -0.37 -0.07 0.04 -0.04 1.89 1.45 2dy7A17 ILE 183 HG12 -0.27 -0.01 0.02 -0.04 1.49 1.18 2dy7A17 ILE 183 HG13 -0.15 -0.04 -0.06 -0.04 1.21 0.92 2dy7A17 ILE 183 HG23 -0.06 0.00 -0.08 -0.04 0.93 0.75 2dy7A17 ILE 183 HD13 -0.11 0.01 -0.07 -0.04 0.88 0.67 2dy7A17 ASN 184 H -0.54 0.21 -0.05 -0.55 8.53 7.61 2dy7A17 ASN 184 HA 0.11 0.17 0.36 -0.75 4.76 4.64 2dy7A17 ASN 184 HB2 -0.01 0.02 -0.67 -0.04 2.88 2.17 2dy7A17 ASN 184 HB3 0.15 -0.05 -0.05 -0.04 2.79 2.81 2dy7A17 ASN 184 HD21 0.10 0.04 0.06 -0.04 7.03 7.19 2dy7A17 ASN 184 HD22 0.14 -0.03 0.08 -0.04 7.74 7.89 2dy7A17 HIS 185 H 0.19 0.32 0.19 -0.55 8.41 8.57 2dy7A17 HIS 185 HA 0.17 -0.08 0.48 -0.75 4.63 4.44 2dy7A17 HIS 185 HB2 -0.59 0.35 0.33 -0.04 3.26 3.31 2dy7A17 HIS 185 HB3 0.42 0.02 -0.44 -0.04 3.20 3.15 2dy7A17 HIS 185 HD2 0.05 -0.05 -0.11 -0.04 6.97 6.82 2dy7A17 HIS 185 HE1 0.14 0.18 -0.09 -0.04 7.75 7.93 2dy7A17 ARG 186 H 0.23 0.52 0.22 -0.55 8.46 8.89 2dy7A17 ARG 186 HA 0.21 0.06 0.36 -0.75 4.34 4.22 2dy7A17 ARG 186 HB2 -0.11 -0.03 0.13 -0.04 1.90 1.86 2dy7A17 ARG 186 HB3 -0.02 0.22 0.38 -0.04 1.80 2.34 2dy7A17 ARG 186 HG2 0.21 0.05 -0.69 -0.04 1.67 1.20 2dy7A17 ARG 186 HG3 0.22 -0.12 -0.44 -0.04 1.67 1.29 2dy7A17 ARG 186 HD2 -0.39 0.04 -0.17 -0.04 3.22 2.65 2dy7A17 ARG 186 HD3 -0.28 0.02 -0.07 -0.04 3.22 2.85 2dy7A17 LEU 187 H -0.33 0.13 0.19 -0.55 8.37 7.81 2dy7A17 LEU 187 HA -1.15 0.19 0.56 -0.75 4.35 3.20 2dy7A17 LEU 187 HB2 -0.37 -0.04 0.26 -0.04 1.64 1.46 2dy7A17 LEU 187 HB3 -0.26 0.06 0.12 -0.04 1.64 1.51 2dy7A17 LEU 187 HG -0.41 0.09 0.14 -0.04 1.64 1.42 2dy7A17 LEU 187 HD13 -0.39 -0.01 0.16 -0.04 0.93 0.65 2dy7A17 LEU 187 HD23 -0.14 -0.02 0.04 -0.04 0.89 0.73 2dy7A17 LYS 188 H -0.25 0.17 -0.14 -0.55 8.42 7.63 2dy7A17 LYS 188 HA -0.04 0.12 0.31 -0.75 4.32 3.96 2dy7A17 LYS 188 HB2 0.02 -0.08 0.04 -0.04 1.87 1.80 2dy7A17 LYS 188 HB3 0.00 -0.01 -0.32 -0.04 1.79 1.42 2dy7A17 LYS 188 HG2 -0.08 -0.02 -0.28 -0.04 1.46 1.04 2dy7A17 LYS 188 HG3 -0.05 0.04 -0.30 -0.04 1.46 1.12 2dy7A17 LYS 188 HD2 0.03 -0.01 -0.06 -0.04 1.69 1.61 2dy7A17 LYS 188 HD3 0.01 0.13 -0.02 -0.04 1.68 1.76 2dy7A17 LYS 188 HE2 0.02 0.06 -0.01 -0.04 2.99 3.02 2dy7A17 LYS 188 HE3 0.02 -0.19 0.02 -0.04 2.99 2.79 2dy7A17 THR 189 H -0.01 0.14 -0.00 -0.55 8.28 7.85 2dy7A17 THR 189 HA -0.02 0.05 0.35 -0.75 4.39 4.01 2dy7A17 THR 189 HB -0.07 0.07 0.23 -0.04 4.32 4.51 2dy7A17 THR 189 HG23 -0.03 -0.01 -0.08 -0.04 1.22 1.06 2dy7A17 SER 190 H -0.09 0.86 0.09 -0.55 8.46 8.77 2dy7A17 SER 190 HA -0.12 0.08 0.33 -0.75 4.49 4.03 2dy7A17 SER 190 HB2 -0.07 -0.11 -0.74 -0.04 3.95 2.99 2dy7A17 SER 190 HB3 -0.07 0.06 0.23 -0.04 3.93 4.11 2dy7A17 LEU 191 H -0.05 0.79 -0.11 -0.55 8.37 8.47 2dy7A17 LEU 191 HA -0.05 0.10 0.45 -0.75 4.35 4.10 2dy7A17 LEU 191 HB2 -0.03 0.01 0.10 -0.04 1.64 1.69 2dy7A17 LEU 191 HB3 -0.03 -0.01 0.09 -0.04 1.64 1.64 2dy7A17 LEU 191 HG -0.03 -0.12 -0.35 -0.04 1.64 1.10 2dy7A17 LEU 191 HD13 -0.02 0.03 -0.29 -0.04 0.93 0.61 2dy7A17 LEU 191 HD23 -0.01 0.03 0.01 -0.04 0.89 0.87 2dy7A17 GLU 192 H -0.05 -0.07 -0.99 -0.55 8.60 6.94 2dy7A17 GLU 192 HA -0.04 -0.05 0.24 -0.75 4.29 3.68 2dy7A17 GLU 192 HB2 -0.05 0.01 -0.12 -0.04 2.09 1.89 2dy7A17 GLU 192 HB3 -0.04 0.22 -0.27 -0.04 1.99 1.86 2dy7A17 GLU 192 HG2 -0.03 -0.01 -0.04 -0.04 2.34 2.21 2dy7A17 GLU 192 HG3 -0.03 0.03 -0.11 -0.04 2.34 2.19 2dy7A17 GLU 193 H -0.03 0.07 -0.08 -0.55 8.60 8.02 2dy7A17 GLU 193 HA -0.02 0.28 0.78 -0.75 4.29 4.58 2dy7A17 GLU 193 HB2 -0.02 -0.08 0.03 -0.04 2.09 1.99 2dy7A17 GLU 193 HB3 -0.01 0.01 0.18 -0.04 1.99 2.13 2dy7A17 GLU 193 HG2 -0.01 0.13 -0.11 -0.04 2.34 2.31 2dy7A17 GLU 193 HG3 -0.02 -0.08 -0.32 -0.04 2.34 1.87 2dy7A17 GLY 194 H -0.02 0.26 -0.36 -0.55 8.43 7.76 2dy7A17 GLY 194 HA2 -0.01 0.04 0.26 -0.51 4.01 3.79 2dy7A17 GLY 194 HA3 -0.01 0.01 0.58 -0.51 4.01 4.07 2dy7A17 LYS 195 H -0.01 0.08 0.06 -0.55 8.42 7.99 2dy7A17 LYS 195 HA -0.01 0.15 0.46 -0.75 4.32 4.16 2dy7A17 LYS 195 HB2 -0.01 -0.15 0.20 -0.04 1.87 1.88 2dy7A17 LYS 195 HB3 -0.01 0.07 0.12 -0.04 1.79 1.93 2dy7A17 LYS 195 HG2 -0.01 0.03 0.06 -0.04 1.46 1.50 2dy7A17 LYS 195 HG3 -0.02 0.01 -0.24 -0.04 1.46 1.17 2dy7A17 LYS 195 HD2 -0.01 0.05 -0.02 -0.04 1.69 1.68 2dy7A17 LYS 195 HD3 -0.01 -0.11 0.04 -0.04 1.68 1.56 2dy7A17 LYS 195 HE2 -0.00 0.03 0.04 -0.04 2.99 3.01 2dy7A17 LYS 195 HE3 -0.00 0.00 0.04 -0.04 2.99 2.99 2dy7A17 VAL 196 H -0.02 0.10 0.15 -0.55 8.24 7.92 2dy7A17 VAL 196 HA -0.04 0.21 0.75 -0.75 4.13 4.30 2dy7A17 VAL 196 HB -0.02 0.04 -0.04 -0.04 2.12 2.06 2dy7A17 VAL 196 HG13 -0.03 0.00 0.01 -0.04 0.97 0.91 2dy7A17 VAL 196 HG23 -0.02 0.02 -0.12 -0.04 0.95 0.79 2dy7A17 LEU 197 H -0.02 -0.07 -0.00 -0.55 8.37 7.74 2dy7A17 LEU 197 HA -0.01 0.02 0.30 -0.75 4.35 3.91 2dy7A17 LEU 197 HB2 -0.05 0.19 -0.16 -0.04 1.64 1.58 2dy7A17 LEU 197 HB3 -0.02 0.03 0.07 -0.04 1.64 1.68 2dy7A17 LEU 197 HG -0.02 -0.12 -0.19 -0.04 1.64 1.27 2dy7A17 LEU 197 HD13 -0.04 0.03 -0.24 -0.04 0.93 0.64 2dy7A17 LEU 197 HD23 -0.00 0.02 -0.04 -0.04 0.89 0.82 2dy7A17 GLU 198 H -0.04 0.19 0.36 -0.55 8.60 8.56 2dy7A17 GLU 198 HA -0.01 -0.02 0.38 -0.75 4.29 3.89 2dy7A17 GLU 198 HB2 -0.02 -0.06 -0.69 -0.04 2.09 1.29 2dy7A17 GLU 198 HB3 0.00 0.04 0.29 -0.04 1.99 2.28 2dy7A17 GLU 198 HG2 -0.00 -0.02 0.05 -0.04 2.34 2.32 2dy7A17 GLU 198 HG3 -0.02 0.00 0.01 -0.04 2.34 2.29 2dy7A17 LYS 199 H 0.07 0.11 0.04 -0.55 8.42 8.09 2dy7A17 LYS 199 HA 0.05 0.15 0.92 -0.75 4.32 4.70 2dy7A17 LYS 199 HB2 0.09 -0.07 0.05 -0.04 1.87 1.90 2dy7A17 LYS 199 HB3 0.08 0.09 0.00 -0.04 1.79 1.92 2dy7A17 LYS 199 HG2 0.03 0.05 -0.03 -0.04 1.46 1.47 2dy7A17 LYS 199 HG3 0.03 -0.00 -0.41 -0.04 1.46 1.03 2dy7A17 LYS 199 HD2 0.05 -0.01 -0.04 -0.04 1.69 1.65 2dy7A17 LYS 199 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.64 2dy7A17 LYS 199 HE2 0.02 -0.00 -0.03 -0.04 2.99 2.94 2dy7A17 LYS 199 HE3 0.02 -0.00 -0.08 -0.04 2.99 2.88 2dy7A17 THR 200 H 0.06 0.10 0.10 -0.55 8.28 7.99 2dy7A17 THR 200 HA 0.09 0.03 0.31 -0.75 4.39 4.07 2dy7A17 THR 200 HB 0.03 -0.01 -0.06 -0.04 4.32 4.24 2dy7A17 THR 200 HG23 0.03 0.00 0.04 -0.04 1.22 1.26 2dy7A17 VAL 201 H 0.02 0.16 0.12 -0.55 8.24 7.99 2dy7A17 VAL 201 HA -0.05 0.11 0.96 -0.75 4.13 4.39 2dy7A17 VAL 201 HB -0.22 -0.01 0.08 -0.04 2.12 1.94 2dy7A17 VAL 201 HG13 -0.68 -0.00 -0.19 -0.04 0.97 0.06 2dy7A17 VAL 201 HG23 -0.00 0.02 0.20 -0.04 0.95 1.13 2dy7A17 PRO 202 HA -0.01 0.23 0.68 -0.51 4.44 4.83 2dy7A17 PRO 202 HB2 -0.00 -0.02 -0.01 -0.04 2.28 2.21 2dy7A17 PRO 202 HB3 -0.00 0.04 0.04 -0.04 2.02 2.06 2dy7A17 PRO 202 HG2 0.00 -0.07 0.09 -0.04 2.03 2.01 2dy7A17 PRO 202 HG3 0.01 0.07 -0.00 -0.04 2.03 2.07 2dy7A17 PRO 202 HD2 -0.01 -0.11 0.24 -0.04 3.68 3.77 2dy7A17 PRO 202 HD3 0.01 0.43 -0.08 -0.04 3.65 3.96 2dy7A17 ASP 203 H -0.01 0.05 0.11 -0.55 8.40 7.99 2dy7A17 ASP 203 HA -0.01 0.27 0.83 -0.75 4.63 4.97 2dy7A17 ASP 203 HB2 0.00 -0.14 0.19 -0.04 2.71 2.73 2dy7A17 ASP 203 HB3 -0.00 0.13 0.01 -0.04 2.70 2.80 2dy7A17 LEU 204 H 0.01 0.19 0.13 -0.55 8.37 8.15 2dy7A17 LEU 204 HA 0.01 0.19 0.54 -0.75 4.35 4.35 2dy7A17 LEU 204 HB2 0.02 0.06 0.04 -0.04 1.64 1.73 2dy7A17 LEU 204 HB3 0.04 0.02 0.03 -0.04 1.64 1.69 2dy7A17 LEU 204 HG 0.14 -0.03 -0.01 -0.04 1.64 1.70 2dy7A17 LEU 204 HD13 0.08 0.01 0.01 -0.04 0.93 0.99 2dy7A17 LEU 204 HD23 0.07 0.01 -0.00 -0.04 0.89 0.93 2dy7A17 ASN 205 H 0.01 0.05 -0.08 -0.55 8.53 7.97 2dy7A17 ASN 205 HA 0.03 0.13 0.38 -0.75 4.76 4.55 2dy7A17 ASN 205 HB2 0.02 -0.07 0.10 -0.04 2.88 2.88 2dy7A17 ASN 205 HB3 0.02 0.10 -0.09 -0.04 2.79 2.77 2dy7A17 ASN 205 HD21 0.02 -0.07 0.01 -0.04 7.03 6.95 2dy7A17 ASN 205 HD22 0.03 0.06 -0.02 -0.04 7.74 7.76 2dy7A17 ASN 206 H 0.01 0.01 -0.33 -0.55 8.53 7.67 2dy7A17 ASN 206 HA 0.05 0.10 0.32 -0.75 4.76 4.47 2dy7A17 ASN 206 HB2 0.00 -0.16 0.11 -0.04 2.88 2.79 2dy7A17 ASN 206 HB3 -0.03 0.09 0.06 -0.04 2.79 2.87 2dy7A17 ASN 206 HD21 0.14 -0.04 -0.04 -0.04 7.03 7.04 2dy7A17 ASN 206 HD22 0.10 -0.01 -0.01 -0.04 7.74 7.78 2dy7A17 CYS 207 H -0.05 0.17 -0.30 -0.55 8.50 7.77 2dy7A17 CYS 207 HA 0.15 0.14 0.24 -0.75 4.58 4.35 2dy7A17 CYS 207 HB2 -0.04 0.01 0.09 -0.04 2.97 3.00 2dy7A17 CYS 207 HB3 0.21 0.01 -0.10 -0.04 2.97 3.05 2dy7A17 LYS 208 H -0.05 0.50 -0.11 -0.55 8.42 8.21 2dy7A17 LYS 208 HA -0.56 -0.08 0.32 -0.75 4.32 3.25 2dy7A17 LYS 208 HB2 -0.07 -0.05 0.13 -0.04 1.87 1.83 2dy7A17 LYS 208 HB3 -0.01 0.03 0.18 -0.04 1.79 1.95 2dy7A17 LYS 208 HG2 0.03 0.05 -0.11 -0.04 1.46 1.39 2dy7A17 LYS 208 HG3 0.18 -0.09 0.05 -0.04 1.46 1.56 2dy7A17 LYS 208 HD2 0.06 -0.01 -0.08 -0.04 1.69 1.62 2dy7A17 LYS 208 HD3 0.10 -0.01 -0.05 -0.04 1.68 1.68 2dy7A17 LYS 208 HE2 0.23 -0.02 -0.04 -0.04 2.99 3.12 2dy7A17 LYS 208 HE3 0.09 -0.07 -0.18 -0.04 2.99 2.79 2dy7A17 GLU 209 H 0.03 0.20 -1.12 -0.55 8.60 7.16 2dy7A17 GLU 209 HA 0.03 0.06 0.75 -0.75 4.29 4.37 2dy7A17 GLU 209 HB2 0.04 -0.11 0.07 -0.04 2.09 2.05 2dy7A17 GLU 209 HB3 0.03 0.07 0.04 -0.04 1.99 2.09 2dy7A17 GLU 209 HG2 0.06 -0.08 0.21 -0.04 2.34 2.48 2dy7A17 GLU 209 HG3 0.08 0.16 -0.00 -0.04 2.34 2.54 2dy7A17 ASN 210 H 0.12 0.42 -0.05 -0.55 8.53 8.47 2dy7A17 ASN 210 HA 0.02 0.01 0.57 -0.75 4.76 4.60 2dy7A17 ASN 210 HB2 0.08 0.07 -0.03 -0.04 2.88 2.96 2dy7A17 ASN 210 HB3 -0.03 -0.12 0.21 -0.04 2.79 2.81 2dy7A17 ASN 210 HD21 0.03 -0.04 -0.11 -0.04 7.03 6.87 2dy7A17 ASN 210 HD22 0.02 -0.04 -0.03 -0.04 7.74 7.65 2dy7A17 TYR 211 H 0.08 0.27 0.13 -0.55 8.29 8.22 2dy7A17 TYR 211 HA -0.07 -0.07 0.77 -0.75 4.56 4.44 2dy7A17 TYR 211 HB2 -0.05 0.02 -0.05 -0.04 3.06 2.94 2dy7A17 TYR 211 HB3 -0.36 0.03 -0.11 -0.04 2.98 2.50 2dy7A17 TYR 211 HD2 0.02 0.04 -0.19 -0.04 7.15 6.98 2dy7A17 TYR 211 HE2 0.04 0.05 -0.04 -0.04 6.85 6.86 2dy7A17 GLU 212 H -0.06 0.91 0.23 -0.55 8.60 9.14 2dy7A17 GLU 212 HA 0.17 0.07 0.92 -0.75 4.29 4.69 2dy7A17 GLU 212 HB2 0.28 0.12 -0.00 -0.04 2.09 2.45 2dy7A17 GLU 212 HB3 0.10 -0.17 -0.07 -0.04 1.99 1.80 2dy7A17 GLU 212 HG2 0.08 0.27 -0.31 -0.04 2.34 2.33 2dy7A17 GLU 212 HG3 0.57 -0.10 -0.45 -0.04 2.34 2.32 2dy7A17 PHE 213 H 0.33 0.63 0.21 -0.55 8.34 8.95 2dy7A17 PHE 213 HA 0.02 0.14 0.95 -0.75 4.62 4.98 2dy7A17 PHE 213 HB2 -0.01 -0.13 -0.10 -0.04 3.15 2.87 2dy7A17 PHE 213 HB3 -0.31 0.08 -0.12 -0.04 3.06 2.68 2dy7A17 PHE 213 HD2 0.17 -0.03 -0.20 -0.04 7.28 7.17 2dy7A17 PHE 213 HE2 -0.20 0.02 -0.19 -0.04 7.38 6.97 2dy7A17 PHE 213 HZ -0.10 -0.07 -0.17 -0.04 7.32 6.94 2dy7A17 LEU 214 H -0.99 0.74 0.09 -0.55 8.37 7.66 2dy7A17 LEU 214 HA -1.37 0.11 0.53 -0.75 4.35 2.87 2dy7A17 LEU 214 HB2 -2.83 0.03 -0.09 -0.04 1.64 -1.29 2dy7A17 LEU 214 HB3 -0.87 -0.27 0.17 -0.04 1.64 0.62 2dy7A17 LEU 214 HG -0.49 -0.07 -0.19 -0.04 1.64 0.85 2dy7A17 LEU 214 HD13 -1.00 0.01 -0.35 -0.04 0.93 -0.45 2dy7A17 LEU 214 HD23 0.11 0.02 -0.15 -0.04 0.89 0.83 2dy7A17 ILE 215 H -0.31 0.80 0.58 -0.55 8.25 8.78 2dy7A17 ILE 215 HA -0.61 0.13 0.82 -0.75 4.18 3.76 2dy7A17 ILE 215 HB -0.19 -0.02 0.26 -0.04 1.89 1.90 2dy7A17 ILE 215 HG12 -0.03 0.11 0.22 -0.04 1.49 1.74 2dy7A17 ILE 215 HG13 0.06 -0.11 -0.04 -0.04 1.21 1.08 2dy7A17 ILE 215 HG23 -1.99 -0.01 -0.14 -0.04 0.93 -1.25 2dy7A17 ILE 215 HD13 -0.30 -0.01 -0.44 -0.04 0.88 0.09 2dy7A17 LYS 216 H -0.48 0.89 0.48 -0.55 8.42 8.76 2dy7A17 LYS 216 HA -0.15 -0.07 0.53 -0.75 4.32 3.87 2dy7A17 LYS 216 HB2 -0.18 -0.07 0.08 -0.04 1.87 1.66 2dy7A17 LYS 216 HB3 -0.24 0.03 0.31 -0.04 1.79 1.85 2dy7A17 LYS 216 HG2 -0.08 0.15 -0.16 -0.04 1.46 1.34 2dy7A17 LYS 216 HG3 -0.04 -0.06 -0.07 -0.04 1.46 1.25 2dy7A17 LYS 216 HD2 -0.09 -0.05 -0.07 -0.04 1.69 1.44 2dy7A17 LYS 216 HD3 -0.06 -0.00 -0.14 -0.04 1.68 1.44 2dy7A17 LYS 216 HE2 0.00 0.15 -0.10 -0.04 2.99 3.00 2dy7A17 LYS 216 HE3 -0.02 -0.06 -0.04 -0.04 2.99 2.83 2dy7A17 TRP 217 H 0.15 0.29 0.24 -0.55 7.97 8.10 2dy7A17 TRP 217 HA -0.02 0.02 0.61 -0.75 4.62 4.48 2dy7A17 TRP 217 HB2 0.06 0.15 0.20 -0.04 3.23 3.60 2dy7A17 TRP 217 HB3 0.03 -0.09 0.26 -0.04 3.23 3.38 2dy7A17 TRP 217 HD1 -0.08 0.13 0.32 -0.04 7.22 7.55 2dy7A17 TRP 217 HE1 -0.07 -0.11 0.09 -0.04 10.20 10.06 2dy7A17 TRP 217 HE3 -0.01 0.28 -0.05 -0.04 7.59 7.76 2dy7A17 TRP 217 HZ2 -0.03 -0.09 -0.06 -0.04 7.44 7.23 2dy7A17 TRP 217 HZ3 -0.03 -0.06 -0.18 -0.04 7.13 6.82 2dy7A17 TRP 217 HH2 -0.04 -0.07 -0.01 -0.04 7.19 7.03 2dy7A17 THR 218 H 0.34 0.08 0.17 -0.55 8.28 8.32 2dy7A17 THR 218 HA 0.12 -0.00 0.34 -0.75 4.39 4.09 2dy7A17 THR 218 HB 0.11 -0.14 0.08 -0.04 4.32 4.33 2dy7A17 THR 218 HG23 0.19 -0.02 -0.09 -0.04 1.22 1.25 2dy7A17 ASP 219 H 0.11 -0.04 0.05 -0.55 8.40 7.97 2dy7A17 ASP 219 HA 0.06 0.29 0.80 -0.75 4.63 5.03 2dy7A17 ASP 219 HB2 0.08 -0.05 0.05 -0.04 2.71 2.75 2dy7A17 ASP 219 HB3 0.07 -0.19 0.16 -0.04 2.70 2.70 2dy7A17 GLU 220 H 0.04 0.09 0.12 -0.55 8.60 8.30 2dy7A17 GLU 220 HA 0.03 0.16 0.46 -0.75 4.29 4.19 2dy7A17 GLU 220 HB2 0.02 -0.05 0.16 -0.04 2.09 2.19 2dy7A17 GLU 220 HB3 0.02 0.01 0.02 -0.04 1.99 2.00 2dy7A17 GLU 220 HG2 0.01 0.06 0.04 -0.04 2.34 2.41 2dy7A17 GLU 220 HG3 0.01 0.01 0.00 -0.04 2.34 2.32 2dy7A17 SER 221 H 0.05 -0.04 -0.00 -0.55 8.46 7.92 2dy7A17 SER 221 HA 0.02 0.04 0.35 -0.75 4.49 4.14 2dy7A17 SER 221 HB2 0.08 0.04 -0.00 -0.04 3.95 4.02 2dy7A17 SER 221 HB3 0.05 0.02 0.11 -0.04 3.93 4.07 2dy7A17 HIS 222 H 0.17 -0.13 -0.27 -0.55 8.41 7.63 2dy7A17 HIS 222 HA 0.03 0.12 0.46 -0.75 4.63 4.49 2dy7A17 HIS 222 HB2 0.04 -0.11 0.05 -0.04 3.26 3.21 2dy7A17 HIS 222 HB3 0.05 -0.06 0.05 -0.04 3.20 3.20 2dy7A17 HIS 222 HD2 0.02 0.02 0.03 -0.04 6.97 7.00 2dy7A17 HIS 222 HE1 0.00 0.00 -0.01 -0.04 7.75 7.70 2dy7A17 LEU 223 H 0.32 0.08 -0.02 -0.55 8.37 8.20 2dy7A17 LEU 223 HA 0.12 0.13 0.43 -0.75 4.35 4.28 2dy7A17 LEU 223 HB2 0.08 -0.07 0.03 -0.04 1.64 1.63 2dy7A17 LEU 223 HB3 0.06 0.34 -0.19 -0.04 1.64 1.81 2dy7A17 LEU 223 HG 0.13 -0.08 0.16 -0.04 1.64 1.81 2dy7A17 LEU 223 HD13 0.07 -0.01 0.01 -0.04 0.93 0.96 2dy7A17 LEU 223 HD23 -0.02 0.01 -0.12 -0.04 0.89 0.72 2dy7A17 HIS 224 H 0.20 0.25 -0.12 -0.55 8.41 8.19 2dy7A17 HIS 224 HA 0.10 0.20 0.71 -0.75 4.63 4.88 2dy7A17 HIS 224 HB2 0.09 -0.03 -0.29 -0.04 3.26 3.00 2dy7A17 HIS 224 HB3 0.13 -0.06 0.08 -0.04 3.20 3.31 2dy7A17 HIS 224 HD2 0.06 0.07 0.08 -0.04 6.97 7.14 2dy7A17 HIS 224 HE1 -0.07 -0.02 -0.02 -0.04 7.75 7.60 2dy7A17 ASN 225 H 0.05 0.15 -0.00 -0.55 8.53 8.18 2dy7A17 ASN 225 HA 0.07 0.12 0.68 -0.75 4.76 4.88 2dy7A17 ASN 225 HB2 0.00 0.02 -0.02 -0.04 2.88 2.85 2dy7A17 ASN 225 HB3 -0.11 -0.02 -0.11 -0.04 2.79 2.51 2dy7A17 ASN 225 HD21 -0.01 0.01 -0.04 -0.04 7.03 6.94 2dy7A17 ASN 225 HD22 -0.00 0.07 -0.03 -0.04 7.74 7.74 2dy7A17 THR 226 H 0.07 0.40 0.26 -0.55 8.28 8.45 2dy7A17 THR 226 HA 0.14 0.15 0.64 -0.75 4.39 4.58 2dy7A17 THR 226 HB 0.10 -0.01 0.02 -0.04 4.32 4.39 2dy7A17 THR 226 HG23 -0.15 0.09 -0.36 -0.04 1.22 0.75 2dy7A17 TRP 227 H 0.39 0.21 0.07 -0.55 7.97 8.10 2dy7A17 TRP 227 HA 0.09 0.16 0.77 -0.75 4.62 4.89 2dy7A17 TRP 227 HB2 0.03 0.01 0.14 -0.04 3.23 3.37 2dy7A17 TRP 227 HB3 0.04 0.02 -0.03 -0.04 3.23 3.22 2dy7A17 TRP 227 HD1 0.01 -0.01 -0.15 -0.04 7.22 7.04 2dy7A17 TRP 227 HE1 -0.00 0.04 -0.16 -0.04 10.20 10.05 2dy7A17 TRP 227 HE3 0.00 -0.01 -0.34 -0.04 7.59 7.19 2dy7A17 TRP 227 HZ2 -0.01 0.05 -0.15 -0.04 7.44 7.29 2dy7A17 TRP 227 HZ3 -0.04 -0.11 -0.42 -0.04 7.13 6.52 2dy7A17 TRP 227 HH2 -0.04 0.11 -0.19 -0.04 7.19 7.04 2dy7A17 GLU 228 H 0.18 0.37 0.22 -0.55 8.60 8.83 2dy7A17 GLU 228 HA 0.23 0.20 0.71 -0.75 4.29 4.67 2dy7A17 GLU 228 HB2 0.35 0.03 0.01 -0.04 2.09 2.44 2dy7A17 GLU 228 HB3 0.30 -0.12 0.04 -0.04 1.99 2.17 2dy7A17 GLU 228 HG2 0.28 -0.02 -0.37 -0.04 2.34 2.18 2dy7A17 GLU 228 HG3 0.79 0.04 -0.08 -0.04 2.34 3.06 2dy7A17 THR 229 H 0.23 0.19 0.16 -0.55 8.28 8.31 2dy7A17 THR 229 HA 0.42 0.24 0.85 -0.75 4.39 5.15 2dy7A17 THR 229 HB 0.20 -0.01 0.07 -0.04 4.32 4.54 2dy7A17 THR 229 HG23 0.17 0.06 -0.20 -0.04 1.22 1.22 2dy7A17 TYR 230 H 0.61 0.39 0.14 -0.55 8.29 8.87 2dy7A17 TYR 230 HA 0.06 -0.01 0.25 -0.75 4.56 4.10 2dy7A17 TYR 230 HB2 0.13 0.10 0.16 -0.04 3.06 3.41 2dy7A17 TYR 230 HB3 0.07 0.07 0.03 -0.04 2.98 3.10 2dy7A17 TYR 230 HD2 0.09 -0.06 0.00 -0.04 7.15 7.15 2dy7A17 TYR 230 HE2 -0.72 0.03 -0.09 -0.04 6.85 6.03 2dy7A17 GLU 231 H 0.23 0.08 -0.51 -0.55 8.60 7.86 2dy7A17 GLU 231 HA 0.11 0.12 0.40 -0.75 4.29 4.17 2dy7A17 GLU 231 HB2 0.12 -0.01 0.06 -0.04 2.09 2.23 2dy7A17 GLU 231 HB3 0.10 0.02 -0.06 -0.04 1.99 2.01 2dy7A17 GLU 231 HG2 0.07 0.03 0.14 -0.04 2.34 2.54 2dy7A17 GLU 231 HG3 0.07 0.03 0.04 -0.04 2.34 2.45 2dy7A17 SER 232 H 0.16 0.80 -0.31 -0.55 8.46 8.57 2dy7A17 SER 232 HA 0.07 0.25 0.87 -0.75 4.49 4.92 2dy7A17 SER 232 HB2 0.15 -0.25 0.14 -0.04 3.95 3.95 2dy7A17 SER 232 HB3 0.08 0.03 0.08 -0.04 3.93 4.08 2dy7A17 ILE 233 H 0.15 0.32 0.08 -0.55 8.25 8.24 2dy7A17 ILE 233 HA 0.26 0.25 0.82 -0.75 4.18 4.76 2dy7A17 ILE 233 HB 0.41 0.10 -0.05 -0.04 1.89 2.31 2dy7A17 ILE 233 HG12 -0.18 -0.02 -0.31 -0.04 1.49 0.95 2dy7A17 ILE 233 HG13 -0.10 -0.14 0.08 -0.04 1.21 1.00 2dy7A17 ILE 233 HG23 0.22 -0.04 -0.42 -0.04 0.93 0.65 2dy7A17 ILE 233 HD13 -0.17 0.03 -0.21 -0.04 0.88 0.48 2dy7A17 GLY 234 H 0.05 0.40 -0.05 -0.55 8.43 8.29 2dy7A17 GLY 234 HA2 -0.16 -0.06 0.72 -0.51 4.01 3.99 2dy7A17 GLY 234 HA3 -0.04 0.20 0.46 -0.51 4.01 4.12 2dy7A17 GLN 235 H 0.03 0.08 -0.80 -0.55 8.47 7.23 2dy7A17 GLN 235 HA 0.01 0.11 0.47 -0.75 4.36 4.20 2dy7A17 GLN 235 HB2 0.03 -0.02 -0.28 -0.04 2.15 1.84 2dy7A17 GLN 235 HB3 0.03 0.03 0.15 -0.04 2.02 2.19 2dy7A17 GLN 235 HG2 0.01 0.03 0.26 -0.04 2.40 2.67 2dy7A17 GLN 235 HG3 0.02 0.02 -0.33 -0.04 2.39 2.05 2dy7A17 GLN 235 HE21 0.02 -0.01 -0.05 -0.04 6.97 6.88 2dy7A17 GLN 235 HE22 0.02 0.01 -0.01 -0.04 7.69 7.67 2dy7A17 VAL 236 H 0.03 -0.06 0.03 -0.55 8.24 7.69 2dy7A17 VAL 236 HA 0.09 0.27 0.58 -0.75 4.13 4.31 2dy7A17 VAL 236 HB 0.20 0.01 0.22 -0.04 2.12 2.51 2dy7A17 VAL 236 HG13 0.07 0.05 -0.16 -0.04 0.97 0.89 2dy7A17 VAL 236 HG23 0.26 -0.02 -0.04 -0.04 0.95 1.12 2dy7A17 ARG 237 H 0.02 0.20 0.08 -0.55 8.46 8.21 2dy7A17 ARG 237 HA -0.00 0.07 0.35 -0.75 4.34 4.01 2dy7A17 ARG 237 HB2 0.11 -0.01 -0.62 -0.04 1.90 1.34 2dy7A17 ARG 237 HB3 0.05 0.06 0.28 -0.04 1.80 2.14 2dy7A17 ARG 237 HG2 0.14 0.10 0.06 -0.04 1.67 1.93 2dy7A17 ARG 237 HG3 0.02 -0.04 0.15 -0.04 1.67 1.76 2dy7A17 ARG 237 HD2 0.03 -0.01 0.04 -0.04 3.22 3.25 2dy7A17 ARG 237 HD3 0.06 -0.08 -0.03 -0.04 3.22 3.13 2dy7A17 GLY 238 H -0.02 -0.10 -0.64 -0.55 8.43 7.12 2dy7A17 GLY 238 HA2 -0.22 0.13 0.43 -0.51 4.01 3.84 2dy7A17 GLY 238 HA3 -0.16 0.23 0.35 -0.51 4.01 3.92 2dy7A17 LEU 239 H -0.19 0.18 0.06 -0.55 8.37 7.88 2dy7A17 LEU 239 HA -0.44 0.05 0.25 -0.75 4.35 3.47 2dy7A17 LEU 239 HB2 -0.14 -0.08 0.02 -0.04 1.64 1.41 2dy7A17 LEU 239 HB3 -0.16 0.09 -0.03 -0.04 1.64 1.49 2dy7A17 LEU 239 HG -0.40 -0.03 0.10 -0.04 1.64 1.27 2dy7A17 LEU 239 HD13 -0.10 0.02 0.04 -0.04 0.93 0.85 2dy7A17 LEU 239 HD23 -0.51 0.01 0.01 -0.04 0.89 0.37 2dy7A17 LYS 240 H -0.11 -0.03 -1.00 -0.55 8.42 6.73 2dy7A17 LYS 240 HA -0.07 0.07 0.41 -0.75 4.32 3.98 2dy7A17 LYS 240 HB2 -0.04 -0.06 0.06 -0.04 1.87 1.78 2dy7A17 LYS 240 HB3 -0.07 0.31 0.19 -0.04 1.79 2.19 2dy7A17 LYS 240 HG2 -0.03 0.03 0.01 -0.04 1.46 1.43 2dy7A17 LYS 240 HG3 -0.06 0.05 -0.27 -0.04 1.46 1.15 2dy7A17 LYS 240 HD2 -0.04 -0.05 0.06 -0.04 1.69 1.62 2dy7A17 LYS 240 HD3 -0.03 -0.01 0.01 -0.04 1.68 1.61 2dy7A17 LYS 240 HE2 -0.02 0.04 -0.02 -0.04 2.99 2.94 2dy7A17 LYS 240 HE3 -0.03 0.00 -0.05 -0.04 2.99 2.87 2dy7A17 ARG 241 H -0.12 0.45 0.13 -0.55 8.46 8.36 2dy7A17 ARG 241 HA -0.07 0.07 0.44 -0.75 4.34 4.03 2dy7A17 ARG 241 HB2 -0.21 -0.04 -0.04 -0.04 1.90 1.56 2dy7A17 ARG 241 HB3 -0.14 0.00 -0.03 -0.04 1.80 1.59 2dy7A17 ARG 241 HG2 -0.10 -0.09 0.02 -0.04 1.67 1.45 2dy7A17 ARG 241 HG3 -0.13 0.14 0.11 -0.04 1.67 1.75 2dy7A17 ARG 241 HD2 -0.18 0.11 -0.34 -0.04 3.22 2.76 2dy7A17 ARG 241 HD3 -0.13 -0.01 -0.05 -0.04 3.22 2.99 2dy7A17 LEU 242 H -0.20 0.98 -0.25 -0.55 8.37 8.35 2dy7A17 LEU 242 HA -0.23 0.06 0.35 -0.75 4.35 3.77 2dy7A17 LEU 242 HB2 -0.37 0.04 -0.37 -0.04 1.64 0.90 2dy7A17 LEU 242 HB3 -0.43 -0.03 -0.18 -0.04 1.64 0.96 2dy7A17 LEU 242 HG -0.67 -0.07 -0.22 -0.04 1.64 0.64 2dy7A17 LEU 242 HD13 -0.87 0.01 -0.12 -0.04 0.93 -0.09 2dy7A17 LEU 242 HD23 -0.47 0.01 -0.18 -0.04 0.89 0.21 2dy7A17 ASP 243 H -0.13 0.56 -0.34 -0.55 8.40 7.95 2dy7A17 ASP 243 HA -0.02 -0.04 0.45 -0.75 4.63 4.26 2dy7A17 ASP 243 HB2 -0.06 0.22 0.39 -0.04 2.71 3.22 2dy7A17 ASP 243 HB3 -0.03 -0.07 0.03 -0.04 2.70 2.59 2dy7A17 ASN 244 H -0.03 0.60 -0.06 -0.55 8.53 8.50 2dy7A17 ASN 244 HA 0.00 0.03 0.37 -0.75 4.76 4.41 2dy7A17 ASN 244 HB2 -0.01 0.01 0.12 -0.04 2.88 2.96 2dy7A17 ASN 244 HB3 0.01 0.08 0.07 -0.04 2.79 2.91 2dy7A17 ASN 244 HD21 -0.01 -0.02 0.01 -0.04 7.03 6.98 2dy7A17 ASN 244 HD22 -0.00 0.01 0.01 -0.04 7.74 7.72 2dy7A17 TYR 245 H 0.10 0.15 -0.89 -0.55 8.29 7.10 2dy7A17 TYR 245 HA 0.23 0.12 0.51 -0.75 4.56 4.68 2dy7A17 TYR 245 HB2 -0.11 0.04 0.10 -0.04 3.06 3.05 2dy7A17 TYR 245 HB3 -0.15 0.01 0.21 -0.04 2.98 3.01 2dy7A17 TYR 245 HD2 -0.31 0.02 -0.11 -0.04 7.15 6.72 2dy7A17 TYR 245 HE2 -0.55 0.05 -0.22 -0.04 6.85 6.09 2dy7A17 CYS 246 H 0.08 0.69 -0.03 -0.55 8.50 8.69 2dy7A17 CYS 246 HA -0.10 0.05 0.35 -0.75 4.58 4.12 2dy7A17 CYS 246 HB2 0.02 0.14 0.23 -0.04 2.97 3.33 2dy7A17 CYS 246 HB3 0.01 -0.09 -0.05 -0.04 2.97 2.80 2dy7A17 LYS 247 H -0.01 0.51 -0.39 -0.55 8.42 7.97 2dy7A17 LYS 247 HA -0.04 -0.09 0.37 -0.75 4.32 3.80 2dy7A17 LYS 247 HB2 -0.03 -0.15 -0.02 -0.04 1.87 1.63 2dy7A17 LYS 247 HB3 -0.02 0.05 0.03 -0.04 1.79 1.81 2dy7A17 LYS 247 HG2 -0.00 0.02 0.10 -0.04 1.46 1.54 2dy7A17 LYS 247 HG3 -0.03 0.15 -0.39 -0.04 1.46 1.15 2dy7A17 LYS 247 HD2 -0.02 -0.10 -0.05 -0.04 1.69 1.48 2dy7A17 LYS 247 HD3 -0.01 -0.07 0.00 -0.04 1.68 1.56 2dy7A17 LYS 247 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.88 2dy7A17 LYS 247 HE3 -0.03 0.28 -0.10 -0.04 2.99 3.09 2dy7A17 GLN 248 H -0.02 0.18 -0.48 -0.55 8.47 7.61 2dy7A17 GLN 248 HA -0.20 0.14 0.63 -0.75 4.36 4.18 2dy7A17 GLN 248 HB2 0.00 0.22 0.20 -0.04 2.15 2.53 2dy7A17 GLN 248 HB3 0.09 -0.02 0.10 -0.04 2.02 2.15 2dy7A17 GLN 248 HG2 -0.36 0.01 0.18 -0.04 2.40 2.19 2dy7A17 GLN 248 HG3 -0.10 -0.04 0.06 -0.04 2.39 2.27 2dy7A17 GLN 248 HE21 0.07 0.00 0.00 -0.04 6.97 7.00 2dy7A17 GLN 248 HE22 0.17 -0.04 -0.00 -0.04 7.69 7.77 2dy7A17 PHE 249 H -0.10 -0.06 -0.42 -0.55 8.34 7.21 2dy7A17 PHE 249 HA -0.14 0.16 0.82 -0.75 4.62 4.70 2dy7A17 PHE 249 HB2 -1.07 0.16 -0.03 -0.04 3.15 2.17 2dy7A17 PHE 249 HB3 -0.26 -0.11 -0.00 -0.04 3.06 2.65 2dy7A17 PHE 249 HD2 -0.27 0.02 -0.01 -0.04 7.28 6.97 2dy7A17 PHE 249 HE2 0.05 -0.05 0.00 -0.04 7.38 7.33 2dy7A17 PHE 249 HZ 0.06 -0.05 -0.00 -0.04 7.32 7.29 2dy7A17 ILE 250 H -0.09 0.20 0.07 -0.55 8.25 7.88 2dy7A17 ILE 250 HA -0.03 0.16 0.98 -0.75 4.18 4.54 2dy7A17 ILE 250 HB -0.11 -0.05 0.18 -0.04 1.89 1.87 2dy7A17 ILE 250 HG12 -0.29 -0.10 -0.03 -0.04 1.49 1.03 2dy7A17 ILE 250 HG13 -0.13 0.21 -0.26 -0.04 1.21 0.98 2dy7A17 ILE 250 HG23 -0.10 -0.02 -0.21 -0.04 0.93 0.56 2dy7A17 ILE 250 HD13 -0.66 -0.03 -0.15 -0.04 0.88 -0.01 2dy7A17 ILE 251 H -0.07 0.15 0.28 -0.55 8.25 8.06 2dy7A17 ILE 251 HA -0.04 0.27 0.82 -0.75 4.18 4.48 2dy7A17 ILE 251 HB -0.03 -0.13 0.06 -0.04 1.89 1.74 2dy7A17 ILE 251 HG12 -0.03 0.32 -0.88 -0.04 1.49 0.85 2dy7A17 ILE 251 HG13 -0.04 0.14 -0.63 -0.04 1.21 0.64 2dy7A17 ILE 251 HG23 -0.02 -0.05 0.23 -0.04 0.93 1.05 2dy7A17 ILE 251 HD13 -0.01 -0.08 -0.35 -0.04 0.88 0.40 2dy7A17 GLU 252 H -0.03 0.02 0.11 -0.55 8.60 8.16 2dy7A17 GLU 252 HA -0.05 0.36 0.79 -0.75 4.29 4.63 2dy7A17 GLU 252 HB2 -0.03 -0.05 0.11 -0.04 2.09 2.08 2dy7A17 GLU 252 HB3 -0.03 0.02 0.07 -0.04 1.99 2.01 2dy7A17 GLU 252 HG2 -0.04 0.15 -0.27 -0.04 2.34 2.14 2dy7A17 GLU 252 HG3 -0.03 -0.05 -0.09 -0.04 2.34 2.13