============================================================================= 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 9.610 6.593 -7.735 -99.200 -91.000 HIS 6 0.900 13.763 -1.269 -5.414 -99.200 -91.000 HIS 14 0.900 -7.629 -7.628 2.444 -99.200 -91.000 TYR 40 0.840 -12.015 -4.166 2.846 -99.200 -91.000 PHE 42 1.000 -6.121 -3.331 0.162 -99.200 -91.000 TRP 46 1.040 5.357 0.027 2.267 -99.200 -91.000 TRP6 46 1.020 4.605 1.046 0.229 -99.200 -91.000 HIS 51 0.900 12.891 -7.438 12.950 -99.200 -91.000 HIS 53 0.900 11.325 -0.227 7.994 -99.200 -91.000 TRP 56 1.040 -1.487 -2.859 8.557 -99.200 -91.000 TRP6 56 1.020 -3.249 -4.258 7.740 -99.200 -91.000 TYR 59 0.840 -5.779 -0.250 -4.314 -99.200 -91.000 TYR 74 0.840 -3.626 -8.814 -0.217 -99.200 -91.000 PHE 78 1.000 -3.838 -13.081 -0.166 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dy7A4 GLN 172 HA 0.01 -0.04 0.16 -0.75 4.36 3.73 2dy7A4 GLN 172 HB2 0.03 -0.01 0.04 -0.04 2.15 2.17 2dy7A4 GLN 172 HB3 0.05 -0.01 0.09 -0.04 2.02 2.11 2dy7A4 GLN 172 HG2 0.04 -0.06 -0.31 -0.04 2.40 2.03 2dy7A4 GLN 172 HG3 0.04 0.01 -0.06 -0.04 2.39 2.34 2dy7A4 GLN 172 HE21 0.08 0.00 -0.01 -0.04 6.97 7.00 2dy7A4 GLN 172 HE22 0.05 0.00 0.00 -0.04 7.69 7.70 2dy7A4 PRO 173 HA 0.04 0.10 0.46 -0.51 4.44 4.52 2dy7A4 PRO 173 HB2 -0.01 -0.02 -0.01 -0.04 2.28 2.20 2dy7A4 PRO 173 HB3 0.01 0.02 0.10 -0.04 2.02 2.10 2dy7A4 PRO 173 HG2 -0.03 0.01 0.07 -0.04 2.03 2.04 2dy7A4 PRO 173 HG3 -0.01 0.02 0.07 -0.04 2.03 2.07 2dy7A4 PRO 173 HD2 -0.01 0.08 0.18 -0.04 3.68 3.88 2dy7A4 PRO 173 HD3 0.00 0.21 0.15 -0.04 3.65 3.96 2dy7A4 GLU 174 H -0.07 0.19 -0.18 -0.55 8.60 7.99 2dy7A4 GLU 174 HA -0.53 0.13 0.66 -0.75 4.29 3.79 2dy7A4 GLU 174 HB2 -0.13 -0.04 -0.35 -0.04 2.09 1.52 2dy7A4 GLU 174 HB3 -0.20 -0.01 -0.00 -0.04 1.99 1.73 2dy7A4 GLU 174 HG2 -0.42 0.02 -0.01 -0.04 2.34 1.88 2dy7A4 GLU 174 HG3 -0.33 0.12 0.12 -0.04 2.34 2.21 2dy7A4 ASP 175 H -1.59 0.20 0.02 -0.55 8.40 6.48 2dy7A4 ASP 175 HA -0.14 0.14 0.64 -0.75 4.63 4.51 2dy7A4 ASP 175 HB2 0.09 0.01 -0.17 -0.04 2.71 2.59 2dy7A4 ASP 175 HB3 0.13 -0.01 0.19 -0.04 2.70 2.97 2dy7A4 PHE 176 H -0.71 0.21 0.07 -0.55 8.34 7.36 2dy7A4 PHE 176 HA 0.07 0.04 0.50 -0.75 4.62 4.48 2dy7A4 PHE 176 HB2 0.06 0.04 0.06 -0.04 3.15 3.26 2dy7A4 PHE 176 HB3 0.03 0.16 0.05 -0.04 3.06 3.26 2dy7A4 PHE 176 HD2 0.05 0.30 -0.24 -0.04 7.28 7.35 2dy7A4 PHE 176 HE2 0.04 0.08 0.00 -0.04 7.38 7.45 2dy7A4 PHE 176 HZ 0.03 0.15 0.05 -0.04 7.32 7.50 2dy7A4 HIS 177 H 0.32 0.08 0.12 -0.55 8.41 8.38 2dy7A4 HIS 177 HA 0.08 0.05 0.34 -0.75 4.63 4.34 2dy7A4 HIS 177 HB2 0.13 -0.01 0.11 -0.04 3.26 3.45 2dy7A4 HIS 177 HB3 0.13 0.03 0.07 -0.04 3.20 3.39 2dy7A4 HIS 177 HD2 0.04 -0.05 -0.11 -0.04 6.97 6.81 2dy7A4 HIS 177 HE1 0.03 0.01 -0.01 -0.04 7.75 7.73 2dy7A4 GLY 178 H 0.14 0.10 -0.00 -0.55 8.43 8.13 2dy7A4 GLY 178 HA2 0.39 0.11 0.67 -0.51 4.01 4.67 2dy7A4 GLY 178 HA3 0.21 0.25 0.46 -0.51 4.01 4.42 2dy7A4 ILE 179 H 0.03 0.33 0.13 -0.55 8.25 8.20 2dy7A4 ILE 179 HA -0.68 0.02 0.42 -0.75 4.18 3.19 2dy7A4 ILE 179 HB -0.22 -0.08 -0.03 -0.04 1.89 1.53 2dy7A4 ILE 179 HG12 -0.76 0.00 -0.15 -0.04 1.49 0.54 2dy7A4 ILE 179 HG13 -1.26 0.02 -0.06 -0.04 1.21 -0.13 2dy7A4 ILE 179 HG23 -0.21 0.00 -0.16 -0.04 0.93 0.52 2dy7A4 ILE 179 HD13 -0.41 -0.00 -0.06 -0.04 0.88 0.37 2dy7A4 ASP 180 H -0.36 0.22 0.19 -0.55 8.40 7.90 2dy7A4 ASP 180 HA -0.09 0.11 0.77 -0.75 4.63 4.66 2dy7A4 ASP 180 HB2 -0.01 -0.12 0.07 -0.04 2.71 2.61 2dy7A4 ASP 180 HB3 -0.09 0.18 0.22 -0.04 2.70 2.96 2dy7A4 ILE 181 H -0.30 0.33 0.26 -0.55 8.25 7.99 2dy7A4 ILE 181 HA -0.14 0.13 0.59 -0.75 4.18 4.01 2dy7A4 ILE 181 HB -0.12 -0.05 -0.00 -0.04 1.89 1.67 2dy7A4 ILE 181 HG12 -0.05 0.06 0.14 -0.04 1.49 1.60 2dy7A4 ILE 181 HG13 -0.07 -0.01 -0.62 -0.04 1.21 0.47 2dy7A4 ILE 181 HG23 -0.08 0.01 -0.22 -0.04 0.93 0.61 2dy7A4 ILE 181 HD13 -0.03 -0.01 -0.05 -0.04 0.88 0.75 2dy7A4 VAL 182 H -0.16 0.24 0.03 -0.55 8.24 7.80 2dy7A4 VAL 182 HA -0.49 0.16 0.80 -0.75 4.13 3.84 2dy7A4 VAL 182 HB -0.45 0.06 0.16 -0.04 2.12 1.85 2dy7A4 VAL 182 HG13 -1.27 0.01 -0.09 -0.04 0.97 -0.42 2dy7A4 VAL 182 HG23 -0.30 -0.01 -0.24 -0.04 0.95 0.36 2dy7A4 ILE 183 H -0.38 0.23 0.22 -0.55 8.25 7.78 2dy7A4 ILE 183 HA -0.15 0.03 0.33 -0.75 4.18 3.63 2dy7A4 ILE 183 HB -0.35 -0.07 0.03 -0.04 1.89 1.46 2dy7A4 ILE 183 HG12 -0.26 -0.02 0.05 -0.04 1.49 1.23 2dy7A4 ILE 183 HG13 -0.14 -0.01 -0.06 -0.04 1.21 0.96 2dy7A4 ILE 183 HG23 -0.08 0.01 -0.08 -0.04 0.93 0.74 2dy7A4 ILE 183 HD13 -0.10 -0.00 -0.08 -0.04 0.88 0.65 2dy7A4 ASN 184 H -0.54 0.21 -0.07 -0.55 8.53 7.58 2dy7A4 ASN 184 HA 0.03 0.17 0.35 -0.75 4.76 4.56 2dy7A4 ASN 184 HB2 -0.07 0.08 -0.66 -0.04 2.88 2.20 2dy7A4 ASN 184 HB3 0.04 -0.07 -0.09 -0.04 2.79 2.62 2dy7A4 ASN 184 HD21 0.05 -0.02 0.03 -0.04 7.03 7.05 2dy7A4 ASN 184 HD22 0.04 -0.01 0.07 -0.04 7.74 7.81 2dy7A4 HIS 185 H 0.06 0.34 0.20 -0.55 8.41 8.46 2dy7A4 HIS 185 HA 0.01 -0.10 0.45 -0.75 4.63 4.23 2dy7A4 HIS 185 HB2 -1.17 0.38 0.29 -0.04 3.26 2.73 2dy7A4 HIS 185 HB3 -0.15 0.01 -0.46 -0.04 3.20 2.56 2dy7A4 HIS 185 HD2 -0.09 -0.01 -0.22 -0.04 6.97 6.61 2dy7A4 HIS 185 HE1 0.12 0.17 -0.10 -0.04 7.75 7.90 2dy7A4 ARG 186 H 0.21 0.43 0.13 -0.55 8.46 8.67 2dy7A4 ARG 186 HA 0.12 0.10 0.45 -0.75 4.34 4.25 2dy7A4 ARG 186 HB2 -0.09 -0.03 0.15 -0.04 1.90 1.89 2dy7A4 ARG 186 HB3 0.01 0.24 -0.22 -0.04 1.80 1.79 2dy7A4 ARG 186 HG2 -0.06 -0.16 -0.30 -0.04 1.67 1.11 2dy7A4 ARG 186 HG3 -0.14 0.24 -0.33 -0.04 1.67 1.40 2dy7A4 ARG 186 HD2 -0.38 -0.01 -0.06 -0.04 3.22 2.73 2dy7A4 ARG 186 HD3 -0.27 0.03 -0.05 -0.04 3.22 2.89 2dy7A4 LEU 187 H -0.26 0.14 0.18 -0.55 8.37 7.88 2dy7A4 LEU 187 HA -0.83 0.22 0.48 -0.75 4.35 3.46 2dy7A4 LEU 187 HB2 -0.28 -0.01 0.23 -0.04 1.64 1.53 2dy7A4 LEU 187 HB3 -0.20 -0.07 -0.01 -0.04 1.64 1.32 2dy7A4 LEU 187 HG -0.31 0.02 0.13 -0.04 1.64 1.44 2dy7A4 LEU 187 HD13 -0.26 0.01 0.23 -0.04 0.93 0.87 2dy7A4 LEU 187 HD23 -0.11 0.04 -0.03 -0.04 0.89 0.75 2dy7A4 LYS 188 H -0.17 0.28 -0.08 -0.55 8.42 7.90 2dy7A4 LYS 188 HA -0.01 0.06 0.61 -0.75 4.32 4.22 2dy7A4 LYS 188 HB2 0.05 0.02 -0.03 -0.04 1.87 1.87 2dy7A4 LYS 188 HB3 0.09 -0.04 -0.28 -0.04 1.79 1.52 2dy7A4 LYS 188 HG2 0.04 -0.09 -0.29 -0.04 1.46 1.08 2dy7A4 LYS 188 HG3 -0.03 0.07 0.05 -0.04 1.46 1.51 2dy7A4 LYS 188 HD2 0.06 0.11 0.05 -0.04 1.69 1.87 2dy7A4 LYS 188 HD3 0.04 0.02 0.02 -0.04 1.68 1.72 2dy7A4 LYS 188 HE2 0.10 -0.03 -0.06 -0.04 2.99 2.96 2dy7A4 LYS 188 HE3 0.15 -0.02 -0.12 -0.04 2.99 2.96 2dy7A4 THR 189 H -0.09 0.28 -0.02 -0.55 8.28 7.90 2dy7A4 THR 189 HA -0.05 0.22 0.44 -0.75 4.39 4.24 2dy7A4 THR 189 HB -0.10 -0.07 0.05 -0.04 4.32 4.16 2dy7A4 THR 189 HG23 -0.06 -0.03 -0.24 -0.04 1.22 0.84 2dy7A4 SER 190 H -0.06 0.04 -0.05 -0.55 8.46 7.85 2dy7A4 SER 190 HA -0.03 0.01 0.27 -0.75 4.49 3.98 2dy7A4 SER 190 HB2 -0.00 0.15 -0.75 -0.04 3.95 3.31 2dy7A4 SER 190 HB3 -0.00 -0.02 0.19 -0.04 3.93 4.06 2dy7A4 LEU 191 H -0.06 -0.01 -0.47 -0.55 8.37 7.28 2dy7A4 LEU 191 HA -0.05 -0.02 0.28 -0.75 4.35 3.80 2dy7A4 LEU 191 HB2 -0.04 -0.10 -0.47 -0.04 1.64 0.99 2dy7A4 LEU 191 HB3 -0.02 0.12 0.30 -0.04 1.64 2.00 2dy7A4 LEU 191 HG -0.03 -0.01 -0.01 -0.04 1.64 1.55 2dy7A4 LEU 191 HD13 -0.04 -0.01 -0.02 -0.04 0.93 0.81 2dy7A4 LEU 191 HD23 -0.02 -0.00 -0.03 -0.04 0.89 0.80 2dy7A4 GLU 192 H -0.02 0.84 0.12 -0.55 8.60 9.00 2dy7A4 GLU 192 HA -0.02 -0.06 0.33 -0.75 4.29 3.79 2dy7A4 GLU 192 HB2 -0.01 -0.01 0.18 -0.04 2.09 2.21 2dy7A4 GLU 192 HB3 -0.01 0.08 0.19 -0.04 1.99 2.21 2dy7A4 GLU 192 HG2 -0.00 -0.02 0.02 -0.04 2.34 2.29 2dy7A4 GLU 192 HG3 -0.01 -0.02 -0.14 -0.04 2.34 2.12 2dy7A4 GLU 193 H -0.02 0.21 0.34 -0.55 8.60 8.58 2dy7A4 GLU 193 HA -0.03 0.15 0.84 -0.75 4.29 4.50 2dy7A4 GLU 193 HB2 -0.04 0.01 0.02 -0.04 2.09 2.03 2dy7A4 GLU 193 HB3 -0.03 -0.03 0.27 -0.04 1.99 2.16 2dy7A4 GLU 193 HG2 -0.03 0.05 -0.02 -0.04 2.34 2.30 2dy7A4 GLU 193 HG3 -0.04 -0.03 0.02 -0.04 2.34 2.25 2dy7A4 GLY 194 H -0.01 0.28 0.05 -0.55 8.43 8.20 2dy7A4 GLY 194 HA2 -0.01 0.20 0.86 -0.51 4.01 4.55 2dy7A4 GLY 194 HA3 -0.01 -0.01 0.28 -0.51 4.01 3.77 2dy7A4 LYS 195 H -0.01 0.20 0.02 -0.55 8.42 8.06 2dy7A4 LYS 195 HA -0.01 0.11 0.69 -0.75 4.32 4.36 2dy7A4 LYS 195 HB2 -0.00 -0.05 -0.25 -0.04 1.87 1.52 2dy7A4 LYS 195 HB3 -0.01 0.07 -0.17 -0.04 1.79 1.65 2dy7A4 LYS 195 HG2 0.00 -0.06 -0.01 -0.04 1.46 1.36 2dy7A4 LYS 195 HG3 -0.00 0.05 0.16 -0.04 1.46 1.62 2dy7A4 LYS 195 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.62 2dy7A4 LYS 195 HD3 0.00 0.04 -0.11 -0.04 1.68 1.58 2dy7A4 LYS 195 HE2 0.00 0.01 -0.07 -0.04 2.99 2.89 2dy7A4 LYS 195 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 2dy7A4 VAL 196 H -0.00 0.09 0.07 -0.55 8.24 7.84 2dy7A4 VAL 196 HA -0.02 0.16 0.51 -0.75 4.13 4.03 2dy7A4 VAL 196 HB -0.00 -0.08 0.24 -0.04 2.12 2.24 2dy7A4 VAL 196 HG13 -0.00 0.02 -0.03 -0.04 0.97 0.92 2dy7A4 VAL 196 HG23 -0.01 0.03 -0.01 -0.04 0.95 0.92 2dy7A4 LEU 197 H 0.00 0.05 0.10 -0.55 8.37 7.98 2dy7A4 LEU 197 HA 0.01 -0.01 0.31 -0.75 4.35 3.91 2dy7A4 LEU 197 HB2 -0.02 0.29 -0.15 -0.04 1.64 1.73 2dy7A4 LEU 197 HB3 0.01 0.03 0.15 -0.04 1.64 1.78 2dy7A4 LEU 197 HG 0.00 -0.21 -0.26 -0.04 1.64 1.13 2dy7A4 LEU 197 HD13 0.01 0.02 -0.10 -0.04 0.93 0.82 2dy7A4 LEU 197 HD23 0.02 0.01 0.01 -0.04 0.89 0.89 2dy7A4 GLU 198 H 0.00 0.02 -0.12 -0.55 8.60 7.96 2dy7A4 GLU 198 HA -0.02 0.23 0.87 -0.75 4.29 4.61 2dy7A4 GLU 198 HB2 -0.01 -0.07 -0.06 -0.04 2.09 1.91 2dy7A4 GLU 198 HB3 0.00 -0.03 0.18 -0.04 1.99 2.10 2dy7A4 GLU 198 HG2 -0.01 0.01 -0.02 -0.04 2.34 2.28 2dy7A4 GLU 198 HG3 -0.03 0.08 -0.01 -0.04 2.34 2.34 2dy7A4 LYS 199 H 0.05 0.37 0.12 -0.55 8.42 8.40 2dy7A4 LYS 199 HA 0.06 0.11 0.72 -0.75 4.32 4.45 2dy7A4 LYS 199 HB2 0.08 -0.02 -0.17 -0.04 1.87 1.72 2dy7A4 LYS 199 HB3 0.08 0.02 0.01 -0.04 1.79 1.86 2dy7A4 LYS 199 HG2 0.04 0.03 0.12 -0.04 1.46 1.61 2dy7A4 LYS 199 HG3 0.04 -0.03 -0.30 -0.04 1.46 1.12 2dy7A4 LYS 199 HD2 0.04 -0.03 -0.06 -0.04 1.69 1.60 2dy7A4 LYS 199 HD3 0.05 -0.01 -0.02 -0.04 1.68 1.66 2dy7A4 LYS 199 HE2 0.03 -0.02 -0.01 -0.04 2.99 2.95 2dy7A4 LYS 199 HE3 0.03 0.00 0.02 -0.04 2.99 3.00 2dy7A4 THR 200 H 0.08 0.05 0.09 -0.55 8.28 7.94 2dy7A4 THR 200 HA 0.16 0.13 0.49 -0.75 4.39 4.42 2dy7A4 THR 200 HB 0.06 0.01 0.06 -0.04 4.32 4.41 2dy7A4 THR 200 HG23 0.07 0.05 0.09 -0.04 1.22 1.39 2dy7A4 VAL 201 H 0.05 0.21 0.08 -0.55 8.24 8.03 2dy7A4 VAL 201 HA 0.02 0.08 0.76 -0.75 4.13 4.23 2dy7A4 VAL 201 HB -0.14 -0.00 -0.02 -0.04 2.12 1.91 2dy7A4 VAL 201 HG13 -0.60 0.02 -0.38 -0.04 0.97 -0.04 2dy7A4 VAL 201 HG23 0.01 0.01 0.14 -0.04 0.95 1.08 2dy7A4 PRO 202 HA 0.01 0.22 0.67 -0.51 4.44 4.83 2dy7A4 PRO 202 HB2 0.01 -0.00 0.02 -0.04 2.28 2.26 2dy7A4 PRO 202 HB3 0.02 0.05 0.07 -0.04 2.02 2.11 2dy7A4 PRO 202 HG2 0.02 -0.08 0.12 -0.04 2.03 2.05 2dy7A4 PRO 202 HG3 0.03 0.07 0.03 -0.04 2.03 2.13 2dy7A4 PRO 202 HD2 0.03 -0.02 0.21 -0.04 3.68 3.86 2dy7A4 PRO 202 HD3 0.04 0.21 -0.02 -0.04 3.65 3.85 2dy7A4 ASP 203 H 0.01 0.04 0.11 -0.55 8.40 8.01 2dy7A4 ASP 203 HA -0.01 0.29 0.83 -0.75 4.63 4.99 2dy7A4 ASP 203 HB2 -0.01 -0.08 0.18 -0.04 2.71 2.75 2dy7A4 ASP 203 HB3 -0.00 0.12 -0.02 -0.04 2.70 2.77 2dy7A4 LEU 204 H -0.01 0.20 0.12 -0.55 8.37 8.13 2dy7A4 LEU 204 HA 0.02 0.17 0.46 -0.75 4.35 4.24 2dy7A4 LEU 204 HB2 -0.02 0.05 0.08 -0.04 1.64 1.71 2dy7A4 LEU 204 HB3 -0.06 0.03 0.00 -0.04 1.64 1.57 2dy7A4 LEU 204 HG -0.17 -0.05 0.04 -0.04 1.64 1.42 2dy7A4 LEU 204 HD13 0.07 0.01 -0.01 -0.04 0.93 0.96 2dy7A4 LEU 204 HD23 -0.06 0.02 -0.01 -0.04 0.89 0.79 2dy7A4 ASN 205 H -0.01 0.03 -0.20 -0.55 8.53 7.81 2dy7A4 ASN 205 HA -0.02 0.12 0.36 -0.75 4.76 4.47 2dy7A4 ASN 205 HB2 -0.01 -0.01 0.08 -0.04 2.88 2.89 2dy7A4 ASN 205 HB3 0.01 -0.02 0.03 -0.04 2.79 2.77 2dy7A4 ASN 205 HD21 0.03 0.01 -0.25 -0.04 7.03 6.77 2dy7A4 ASN 205 HD22 0.02 0.05 -0.09 -0.04 7.74 7.68 2dy7A4 ASN 206 H 0.04 0.02 -0.20 -0.55 8.53 7.84 2dy7A4 ASN 206 HA 0.10 0.08 0.29 -0.75 4.76 4.47 2dy7A4 ASN 206 HB2 0.05 -0.17 0.12 -0.04 2.88 2.83 2dy7A4 ASN 206 HB3 0.07 0.13 -0.00 -0.04 2.79 2.94 2dy7A4 ASN 206 HD21 0.05 -0.09 0.01 -0.04 7.03 6.96 2dy7A4 ASN 206 HD22 0.07 0.02 -0.02 -0.04 7.74 7.77 2dy7A4 CYS 207 H 0.07 0.08 -0.60 -0.55 8.50 7.50 2dy7A4 CYS 207 HA 0.31 0.17 0.29 -0.75 4.58 4.60 2dy7A4 CYS 207 HB2 0.13 -0.00 0.09 -0.04 2.97 3.14 2dy7A4 CYS 207 HB3 0.54 -0.00 -0.05 -0.04 2.97 3.41 2dy7A4 LYS 208 H 0.14 0.41 0.06 -0.55 8.42 8.48 2dy7A4 LYS 208 HA 0.39 -0.10 0.33 -0.75 4.32 4.18 2dy7A4 LYS 208 HB2 -0.33 -0.08 0.07 -0.04 1.87 1.49 2dy7A4 LYS 208 HB3 -0.38 0.00 0.16 -0.04 1.79 1.53 2dy7A4 LYS 208 HG2 -0.02 0.13 0.26 -0.04 1.46 1.79 2dy7A4 LYS 208 HG3 -0.01 0.09 -0.33 -0.04 1.46 1.17 2dy7A4 LYS 208 HD2 -0.07 -0.09 -0.08 -0.04 1.69 1.41 2dy7A4 LYS 208 HD3 -0.13 -0.01 -0.08 -0.04 1.68 1.43 2dy7A4 LYS 208 HE2 -0.38 -0.03 -0.05 -0.04 2.99 2.48 2dy7A4 LYS 208 HE3 -0.25 0.15 -0.16 -0.04 2.99 2.69 2dy7A4 GLU 209 H 0.14 0.25 -1.02 -0.55 8.60 7.42 2dy7A4 GLU 209 HA 0.09 0.03 0.64 -0.75 4.29 4.30 2dy7A4 GLU 209 HB2 0.07 -0.09 0.03 -0.04 2.09 2.06 2dy7A4 GLU 209 HB3 0.06 0.00 0.01 -0.04 1.99 2.02 2dy7A4 GLU 209 HG2 0.13 0.08 0.10 -0.04 2.34 2.61 2dy7A4 GLU 209 HG3 0.13 0.09 -0.21 -0.04 2.34 2.31 2dy7A4 ASN 210 H 0.26 0.46 -0.05 -0.55 8.53 8.65 2dy7A4 ASN 210 HA 0.10 0.07 0.69 -0.75 4.76 4.87 2dy7A4 ASN 210 HB2 0.14 0.06 0.09 -0.04 2.88 3.12 2dy7A4 ASN 210 HB3 0.02 -0.05 0.25 -0.04 2.79 2.98 2dy7A4 ASN 210 HD21 0.02 -0.02 0.09 -0.04 7.03 7.07 2dy7A4 ASN 210 HD22 0.03 -0.06 0.04 -0.04 7.74 7.71 2dy7A4 TYR 211 H 0.29 0.24 0.05 -0.55 8.29 8.32 2dy7A4 TYR 211 HA 0.06 -0.03 0.63 -0.75 4.56 4.46 2dy7A4 TYR 211 HB2 0.23 0.06 -0.11 -0.04 3.06 3.20 2dy7A4 TYR 211 HB3 0.00 -0.01 -0.17 -0.04 2.98 2.76 2dy7A4 TYR 211 HD2 0.07 0.07 -0.19 -0.04 7.15 7.07 2dy7A4 TYR 211 HE2 0.07 0.04 -0.07 -0.04 6.85 6.85 2dy7A4 GLU 212 H 0.06 0.86 0.19 -0.55 8.60 9.17 2dy7A4 GLU 212 HA 0.31 0.11 0.84 -0.75 4.29 4.80 2dy7A4 GLU 212 HB2 0.15 0.22 -0.02 -0.04 2.09 2.41 2dy7A4 GLU 212 HB3 0.46 -0.06 -0.00 -0.04 1.99 2.34 2dy7A4 GLU 212 HG2 0.18 -0.01 -0.13 -0.04 2.34 2.35 2dy7A4 GLU 212 HG3 0.10 -0.12 -0.04 -0.04 2.34 2.25 2dy7A4 PHE 213 H 0.31 0.57 0.21 -0.55 8.34 8.89 2dy7A4 PHE 213 HA -0.08 0.13 0.91 -0.75 4.62 4.83 2dy7A4 PHE 213 HB2 -0.21 -0.11 -0.11 -0.04 3.15 2.68 2dy7A4 PHE 213 HB3 -0.42 0.03 -0.13 -0.04 3.06 2.50 2dy7A4 PHE 213 HD2 -0.18 -0.04 -0.27 -0.04 7.28 6.75 2dy7A4 PHE 213 HE2 0.10 0.04 -0.24 -0.04 7.38 7.24 2dy7A4 PHE 213 HZ 0.07 -0.07 -0.15 -0.04 7.32 7.13 2dy7A4 LEU 214 H -1.07 0.74 0.08 -0.55 8.37 7.58 2dy7A4 LEU 214 HA -1.38 0.07 0.47 -0.75 4.35 2.76 2dy7A4 LEU 214 HB2 -2.74 0.03 -0.09 -0.04 1.64 -1.20 2dy7A4 LEU 214 HB3 -0.87 -0.27 0.16 -0.04 1.64 0.63 2dy7A4 LEU 214 HG -0.48 -0.07 -0.20 -0.04 1.64 0.85 2dy7A4 LEU 214 HD13 -1.02 0.00 -0.32 -0.04 0.93 -0.45 2dy7A4 LEU 214 HD23 0.08 0.03 -0.15 -0.04 0.89 0.81 2dy7A4 ILE 215 H -0.32 0.81 0.56 -0.55 8.25 8.75 2dy7A4 ILE 215 HA -0.61 0.12 0.78 -0.75 4.18 3.72 2dy7A4 ILE 215 HB -0.18 -0.01 0.27 -0.04 1.89 1.93 2dy7A4 ILE 215 HG12 -0.10 0.17 0.26 -0.04 1.49 1.78 2dy7A4 ILE 215 HG13 0.00 -0.09 -0.02 -0.04 1.21 1.07 2dy7A4 ILE 215 HG23 -2.02 -0.02 -0.13 -0.04 0.93 -1.28 2dy7A4 ILE 215 HD13 -0.38 0.01 -0.35 -0.04 0.88 0.11 2dy7A4 LYS 216 H -0.45 0.93 0.48 -0.55 8.42 8.83 2dy7A4 LYS 216 HA -0.13 -0.06 0.60 -0.75 4.32 3.98 2dy7A4 LYS 216 HB2 -0.17 -0.03 0.14 -0.04 1.87 1.77 2dy7A4 LYS 216 HB3 -0.21 0.02 0.41 -0.04 1.79 1.97 2dy7A4 LYS 216 HG2 -0.06 0.12 -0.07 -0.04 1.46 1.41 2dy7A4 LYS 216 HG3 -0.04 -0.05 -0.01 -0.04 1.46 1.33 2dy7A4 LYS 216 HD2 -0.08 -0.01 -0.02 -0.04 1.69 1.54 2dy7A4 LYS 216 HD3 -0.04 0.01 -0.04 -0.04 1.68 1.57 2dy7A4 LYS 216 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2dy7A4 LYS 216 HE3 -0.04 0.00 -0.03 -0.04 2.99 2.88 2dy7A4 TRP 217 H 0.18 0.12 0.29 -0.55 7.97 8.02 2dy7A4 TRP 217 HA -0.00 0.04 0.57 -0.75 4.62 4.48 2dy7A4 TRP 217 HB2 0.04 0.03 0.18 -0.04 3.23 3.44 2dy7A4 TRP 217 HB3 0.03 -0.03 0.22 -0.04 3.23 3.41 2dy7A4 TRP 217 HD1 -0.04 -0.11 0.18 -0.04 7.22 7.21 2dy7A4 TRP 217 HE1 -0.07 -0.03 0.09 -0.04 10.20 10.15 2dy7A4 TRP 217 HE3 0.02 0.20 -0.14 -0.04 7.59 7.63 2dy7A4 TRP 217 HZ2 -0.06 -0.05 -0.05 -0.04 7.44 7.25 2dy7A4 TRP 217 HZ3 0.01 -0.02 -0.19 -0.04 7.13 6.89 2dy7A4 TRP 217 HH2 -0.04 -0.04 -0.03 -0.04 7.19 7.05 2dy7A4 THR 218 H 0.38 0.13 0.14 -0.55 8.28 8.38 2dy7A4 THR 218 HA 0.14 0.05 0.48 -0.75 4.39 4.32 2dy7A4 THR 218 HB 0.16 0.01 0.11 -0.04 4.32 4.57 2dy7A4 THR 218 HG23 0.08 -0.01 -0.13 -0.04 1.22 1.12 2dy7A4 ASP 219 H 0.06 0.12 0.09 -0.55 8.40 8.12 2dy7A4 ASP 219 HA -0.04 0.10 0.75 -0.75 4.63 4.69 2dy7A4 ASP 219 HB2 0.02 0.03 0.20 -0.04 2.71 2.92 2dy7A4 ASP 219 HB3 0.00 -0.00 0.05 -0.04 2.70 2.71 2dy7A4 GLU 220 H 0.01 0.15 0.10 -0.55 8.60 8.32 2dy7A4 GLU 220 HA 0.00 0.05 0.31 -0.75 4.29 3.89 2dy7A4 GLU 220 HB2 0.01 -0.07 -0.10 -0.04 2.09 1.89 2dy7A4 GLU 220 HB3 -0.01 0.23 -0.29 -0.04 1.99 1.87 2dy7A4 GLU 220 HG2 -0.01 0.03 0.09 -0.04 2.34 2.40 2dy7A4 GLU 220 HG3 -0.00 0.02 0.21 -0.04 2.34 2.52 2dy7A4 SER 221 H -0.03 -0.15 -0.86 -0.55 8.46 6.88 2dy7A4 SER 221 HA -0.02 0.18 0.70 -0.75 4.49 4.61 2dy7A4 SER 221 HB2 -0.22 0.00 -0.05 -0.04 3.95 3.64 2dy7A4 SER 221 HB3 -0.08 -0.04 0.02 -0.04 3.93 3.79 2dy7A4 HIS 222 H -0.03 0.07 -0.05 -0.55 8.41 7.85 2dy7A4 HIS 222 HA -0.01 0.20 0.72 -0.75 4.63 4.79 2dy7A4 HIS 222 HB2 -0.01 0.12 -0.18 -0.04 3.26 3.15 2dy7A4 HIS 222 HB3 -0.00 -0.10 0.07 -0.04 3.20 3.12 2dy7A4 HIS 222 HD2 0.03 0.01 -0.01 -0.04 6.97 6.95 2dy7A4 HIS 222 HE1 0.02 -0.01 -0.07 -0.04 7.75 7.65 2dy7A4 LEU 223 H -0.16 0.18 0.00 -0.55 8.37 7.84 2dy7A4 LEU 223 HA -0.06 0.08 0.63 -0.75 4.35 4.25 2dy7A4 LEU 223 HB2 -1.00 -0.06 -0.10 -0.04 1.64 0.45 2dy7A4 LEU 223 HB3 -0.21 0.07 0.12 -0.04 1.64 1.57 2dy7A4 LEU 223 HG -0.04 0.26 -0.03 -0.04 1.64 1.80 2dy7A4 LEU 223 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.80 2dy7A4 LEU 223 HD23 -0.02 -0.02 -0.02 -0.04 0.89 0.79 2dy7A4 HIS 224 H 0.09 0.06 -0.02 -0.55 8.41 8.00 2dy7A4 HIS 224 HA 0.01 0.14 0.58 -0.75 4.63 4.60 2dy7A4 HIS 224 HB2 0.06 0.02 0.18 -0.04 3.26 3.49 2dy7A4 HIS 224 HB3 0.10 -0.06 0.16 -0.04 3.20 3.36 2dy7A4 HIS 224 HD2 0.01 0.01 -0.08 -0.04 6.97 6.87 2dy7A4 HIS 224 HE1 0.01 0.01 0.00 -0.04 7.75 7.72 2dy7A4 ASN 225 H 0.27 0.00 0.07 -0.55 8.53 8.32 2dy7A4 ASN 225 HA 0.13 -0.00 0.46 -0.75 4.76 4.59 2dy7A4 ASN 225 HB2 0.05 0.30 -0.06 -0.04 2.88 3.13 2dy7A4 ASN 225 HB3 -0.05 -0.06 -0.12 -0.04 2.79 2.52 2dy7A4 ASN 225 HD21 -0.07 -0.01 -0.07 -0.04 7.03 6.84 2dy7A4 ASN 225 HD22 -0.02 0.03 -0.09 -0.04 7.74 7.63 2dy7A4 THR 226 H 0.13 0.35 0.21 -0.55 8.28 8.42 2dy7A4 THR 226 HA 0.20 0.19 0.64 -0.75 4.39 4.67 2dy7A4 THR 226 HB 0.14 0.02 -0.01 -0.04 4.32 4.43 2dy7A4 THR 226 HG23 0.04 0.02 -0.35 -0.04 1.22 0.89 2dy7A4 TRP 227 H 0.42 0.22 0.09 -0.55 7.97 8.16 2dy7A4 TRP 227 HA 0.07 0.13 0.68 -0.75 4.62 4.75 2dy7A4 TRP 227 HB2 0.03 0.01 0.18 -0.04 3.23 3.41 2dy7A4 TRP 227 HB3 0.03 0.02 0.02 -0.04 3.23 3.25 2dy7A4 TRP 227 HD1 0.02 0.02 -0.09 -0.04 7.22 7.13 2dy7A4 TRP 227 HE1 -0.01 0.06 -0.13 -0.04 10.20 10.08 2dy7A4 TRP 227 HE3 -0.02 -0.01 -0.26 -0.04 7.59 7.26 2dy7A4 TRP 227 HZ2 -0.04 0.06 -0.14 -0.04 7.44 7.27 2dy7A4 TRP 227 HZ3 -0.09 -0.12 -0.33 -0.04 7.13 6.54 2dy7A4 TRP 227 HH2 -0.09 0.09 -0.23 -0.04 7.19 6.92 2dy7A4 GLU 228 H 0.13 0.39 0.30 -0.55 8.60 8.88 2dy7A4 GLU 228 HA 0.19 0.20 0.72 -0.75 4.29 4.65 2dy7A4 GLU 228 HB2 0.25 0.01 0.03 -0.04 2.09 2.33 2dy7A4 GLU 228 HB3 0.24 -0.07 0.06 -0.04 1.99 2.18 2dy7A4 GLU 228 HG2 0.29 -0.07 -0.47 -0.04 2.34 2.05 2dy7A4 GLU 228 HG3 0.83 0.02 -0.04 -0.04 2.34 3.10 2dy7A4 THR 229 H 0.15 0.18 0.16 -0.55 8.28 8.22 2dy7A4 THR 229 HA 0.27 0.26 0.88 -0.75 4.39 5.04 2dy7A4 THR 229 HB 0.20 0.06 0.07 -0.04 4.32 4.61 2dy7A4 THR 229 HG23 0.18 0.10 -0.25 -0.04 1.22 1.22 2dy7A4 TYR 230 H 0.26 0.40 0.13 -0.55 8.29 8.54 2dy7A4 TYR 230 HA 0.00 -0.04 0.27 -0.75 4.56 4.03 2dy7A4 TYR 230 HB2 0.09 0.15 0.20 -0.04 3.06 3.46 2dy7A4 TYR 230 HB3 0.03 0.10 0.01 -0.04 2.98 3.08 2dy7A4 TYR 230 HD2 -0.01 0.03 0.00 -0.04 7.15 7.13 2dy7A4 TYR 230 HE2 -0.26 -0.04 -0.05 -0.04 6.85 6.46 2dy7A4 GLU 231 H 0.20 0.10 -0.50 -0.55 8.60 7.85 2dy7A4 GLU 231 HA 0.11 0.11 0.40 -0.75 4.29 4.15 2dy7A4 GLU 231 HB2 0.12 0.03 0.07 -0.04 2.09 2.28 2dy7A4 GLU 231 HB3 0.10 0.00 -0.05 -0.04 1.99 1.99 2dy7A4 GLU 231 HG2 0.06 0.01 0.05 -0.04 2.34 2.42 2dy7A4 GLU 231 HG3 0.07 0.01 0.13 -0.04 2.34 2.51 2dy7A4 SER 232 H 0.12 0.67 -0.36 -0.55 8.46 8.34 2dy7A4 SER 232 HA 0.06 0.25 0.86 -0.75 4.49 4.91 2dy7A4 SER 232 HB2 0.05 0.09 0.00 -0.04 3.95 4.05 2dy7A4 SER 232 HB3 0.10 -0.12 0.06 -0.04 3.93 3.92 2dy7A4 ILE 233 H 0.10 0.39 0.12 -0.55 8.25 8.31 2dy7A4 ILE 233 HA 0.24 0.26 0.82 -0.75 4.18 4.74 2dy7A4 ILE 233 HB 0.37 0.06 -0.01 -0.04 1.89 2.26 2dy7A4 ILE 233 HG12 -0.24 0.01 -0.36 -0.04 1.49 0.87 2dy7A4 ILE 233 HG13 -0.10 -0.16 0.08 -0.04 1.21 0.99 2dy7A4 ILE 233 HG23 0.05 -0.03 -0.36 -0.04 0.93 0.54 2dy7A4 ILE 233 HD13 -0.37 0.02 -0.19 -0.04 0.88 0.29 2dy7A4 GLY 234 H 0.13 0.37 -0.17 -0.55 8.43 8.21 2dy7A4 GLY 234 HA2 0.16 -0.10 0.69 -0.51 4.01 4.25 2dy7A4 GLY 234 HA3 0.20 0.20 0.44 -0.51 4.01 4.34 2dy7A4 GLN 235 H 0.11 0.14 -0.46 -0.55 8.47 7.71 2dy7A4 GLN 235 HA 0.08 0.07 0.36 -0.75 4.36 4.12 2dy7A4 GLN 235 HB2 0.09 0.04 0.17 -0.04 2.15 2.41 2dy7A4 GLN 235 HB3 0.08 0.30 -0.02 -0.04 2.02 2.33 2dy7A4 GLN 235 HG2 0.11 -0.14 -0.48 -0.04 2.40 1.85 2dy7A4 GLN 235 HG3 0.08 0.06 -0.15 -0.04 2.39 2.34 2dy7A4 GLN 235 HE21 0.04 0.00 -0.08 -0.04 6.97 6.89 2dy7A4 GLN 235 HE22 0.05 0.09 -0.09 -0.04 7.69 7.69 2dy7A4 VAL 236 H 0.11 -0.15 0.13 -0.55 8.24 7.78 2dy7A4 VAL 236 HA 0.21 0.32 0.63 -0.75 4.13 4.54 2dy7A4 VAL 236 HB 0.32 0.07 0.27 -0.04 2.12 2.73 2dy7A4 VAL 236 HG13 0.21 0.03 -0.25 -0.04 0.97 0.92 2dy7A4 VAL 236 HG23 0.32 -0.07 -0.02 -0.04 0.95 1.14 2dy7A4 ARG 237 H 0.06 0.21 0.08 -0.55 8.46 8.26 2dy7A4 ARG 237 HA 0.00 0.06 0.34 -0.75 4.34 3.99 2dy7A4 ARG 237 HB2 0.01 0.04 -0.47 -0.04 1.90 1.45 2dy7A4 ARG 237 HB3 0.00 0.07 0.32 -0.04 1.80 2.15 2dy7A4 ARG 237 HG2 -0.04 -0.00 0.15 -0.04 1.67 1.73 2dy7A4 ARG 237 HG3 -0.03 -0.03 0.10 -0.04 1.67 1.68 2dy7A4 ARG 237 HD2 -0.05 0.02 -0.01 -0.04 3.22 3.14 2dy7A4 ARG 237 HD3 -0.04 0.04 -0.06 -0.04 3.22 3.11 2dy7A4 GLY 238 H 0.04 -0.09 -0.57 -0.55 8.43 7.25 2dy7A4 GLY 238 HA2 -0.18 0.11 0.45 -0.51 4.01 3.87 2dy7A4 GLY 238 HA3 -0.11 0.24 0.35 -0.51 4.01 3.99 2dy7A4 LEU 239 H 0.02 0.14 0.06 -0.55 8.37 8.04 2dy7A4 LEU 239 HA 0.18 0.06 0.26 -0.75 4.35 4.10 2dy7A4 LEU 239 HB2 0.06 -0.05 -0.01 -0.04 1.64 1.61 2dy7A4 LEU 239 HB3 0.09 0.09 -0.01 -0.04 1.64 1.78 2dy7A4 LEU 239 HG 0.25 -0.03 0.11 -0.04 1.64 1.92 2dy7A4 LEU 239 HD13 0.09 0.03 -0.09 -0.04 0.93 0.93 2dy7A4 LEU 239 HD23 0.13 0.04 0.02 -0.04 0.89 1.04 2dy7A4 LYS 240 H -0.01 -0.03 -0.94 -0.55 8.42 6.88 2dy7A4 LYS 240 HA -0.00 0.07 0.40 -0.75 4.32 4.04 2dy7A4 LYS 240 HB2 -0.01 -0.08 0.06 -0.04 1.87 1.79 2dy7A4 LYS 240 HB3 -0.03 0.26 0.20 -0.04 1.79 2.18 2dy7A4 LYS 240 HG2 -0.02 0.03 0.01 -0.04 1.46 1.43 2dy7A4 LYS 240 HG3 -0.02 0.03 -0.17 -0.04 1.46 1.25 2dy7A4 LYS 240 HD2 -0.01 0.01 0.01 -0.04 1.69 1.65 2dy7A4 LYS 240 HD3 -0.01 -0.06 0.03 -0.04 1.68 1.60 2dy7A4 LYS 240 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2dy7A4 LYS 240 HE3 -0.02 0.02 -0.00 -0.04 2.99 2.95 2dy7A4 ARG 241 H -0.07 0.45 0.13 -0.55 8.46 8.42 2dy7A4 ARG 241 HA -0.02 0.08 0.45 -0.75 4.34 4.09 2dy7A4 ARG 241 HB2 -0.16 -0.05 -0.03 -0.04 1.90 1.63 2dy7A4 ARG 241 HB3 -0.09 -0.00 -0.01 -0.04 1.80 1.66 2dy7A4 ARG 241 HG2 -0.06 -0.10 0.03 -0.04 1.67 1.50 2dy7A4 ARG 241 HG3 -0.10 0.16 0.11 -0.04 1.67 1.80 2dy7A4 ARG 241 HD2 -0.10 0.26 -0.02 -0.04 3.22 3.32 2dy7A4 ARG 241 HD3 -0.10 0.03 -0.16 -0.04 3.22 2.95 2dy7A4 LEU 242 H -0.11 0.92 -0.28 -0.55 8.37 8.36 2dy7A4 LEU 242 HA -0.19 0.06 0.40 -0.75 4.35 3.86 2dy7A4 LEU 242 HB2 -0.34 0.03 -0.32 -0.04 1.64 0.96 2dy7A4 LEU 242 HB3 -0.16 -0.02 -0.16 -0.04 1.64 1.26 2dy7A4 LEU 242 HG -1.56 -0.06 -0.20 -0.04 1.64 -0.21 2dy7A4 LEU 242 HD13 -0.79 0.01 -0.12 -0.04 0.93 -0.01 2dy7A4 LEU 242 HD23 -0.69 0.00 -0.16 -0.04 0.89 -0.00 2dy7A4 ASP 243 H 0.01 0.56 -0.29 -0.55 8.40 8.13 2dy7A4 ASP 243 HA 0.06 -0.04 0.45 -0.75 4.63 4.35 2dy7A4 ASP 243 HB2 0.01 0.20 0.39 -0.04 2.71 3.27 2dy7A4 ASP 243 HB3 0.01 -0.06 0.03 -0.04 2.70 2.64 2dy7A4 ASN 244 H 0.02 0.56 -0.10 -0.55 8.53 8.47 2dy7A4 ASN 244 HA 0.00 0.05 0.40 -0.75 4.76 4.46 2dy7A4 ASN 244 HB2 0.01 0.02 0.12 -0.04 2.88 2.99 2dy7A4 ASN 244 HB3 0.04 0.06 0.07 -0.04 2.79 2.92 2dy7A4 ASN 244 HD21 -0.02 -0.02 0.03 -0.04 7.03 6.98 2dy7A4 ASN 244 HD22 -0.02 0.02 0.02 -0.04 7.74 7.71 2dy7A4 TYR 245 H 0.16 0.17 -0.75 -0.55 8.29 7.31 2dy7A4 TYR 245 HA 0.30 0.13 0.52 -0.75 4.56 4.76 2dy7A4 TYR 245 HB2 0.03 0.04 0.12 -0.04 3.06 3.21 2dy7A4 TYR 245 HB3 -0.03 -0.00 0.20 -0.04 2.98 3.12 2dy7A4 TYR 245 HD2 0.03 0.01 -0.17 -0.04 7.15 6.98 2dy7A4 TYR 245 HE2 -0.57 0.06 -0.22 -0.04 6.85 6.08 2dy7A4 CYS 246 H 0.20 0.67 -0.06 -0.55 8.50 8.76 2dy7A4 CYS 246 HA 0.07 0.07 0.34 -0.75 4.58 4.30 2dy7A4 CYS 246 HB2 0.08 0.14 0.21 -0.04 2.97 3.36 2dy7A4 CYS 246 HB3 0.06 -0.08 -0.07 -0.04 2.97 2.84 2dy7A4 LYS 247 H 0.00 0.45 -0.42 -0.55 8.42 7.90 2dy7A4 LYS 247 HA -0.05 -0.10 0.41 -0.75 4.32 3.83 2dy7A4 LYS 247 HB2 -0.04 -0.02 0.02 -0.04 1.87 1.79 2dy7A4 LYS 247 HB3 -0.02 0.08 0.08 -0.04 1.79 1.89 2dy7A4 LYS 247 HG2 -0.04 0.08 0.08 -0.04 1.46 1.55 2dy7A4 LYS 247 HG3 -0.08 0.11 -0.42 -0.04 1.46 1.03 2dy7A4 LYS 247 HD2 -0.02 -0.09 -0.06 -0.04 1.69 1.48 2dy7A4 LYS 247 HD3 -0.04 -0.02 -0.01 -0.04 1.68 1.57 2dy7A4 LYS 247 HE2 -0.05 0.38 -0.05 -0.04 2.99 3.23 2dy7A4 LYS 247 HE3 -0.03 -0.14 -0.02 -0.04 2.99 2.76 2dy7A4 GLN 248 H -0.13 0.16 -0.50 -0.55 8.47 7.46 2dy7A4 GLN 248 HA -0.32 0.13 0.63 -0.75 4.36 4.05 2dy7A4 GLN 248 HB2 -0.19 0.21 0.19 -0.04 2.15 2.31 2dy7A4 GLN 248 HB3 -0.57 -0.02 0.09 -0.04 2.02 1.48 2dy7A4 GLN 248 HG2 -0.59 -0.05 0.06 -0.04 2.40 1.78 2dy7A4 GLN 248 HG3 -0.45 0.01 0.17 -0.04 2.39 2.07 2dy7A4 GLN 248 HE21 -0.12 -0.02 0.02 -0.04 6.97 6.81 2dy7A4 GLN 248 HE22 -0.07 -0.05 0.01 -0.04 7.69 7.54 2dy7A4 PHE 249 H -0.20 -0.04 -0.39 -0.55 8.34 7.16 2dy7A4 PHE 249 HA -0.14 0.15 0.81 -0.75 4.62 4.68 2dy7A4 PHE 249 HB2 -1.05 0.15 -0.03 -0.04 3.15 2.17 2dy7A4 PHE 249 HB3 -0.24 -0.10 0.01 -0.04 3.06 2.69 2dy7A4 PHE 249 HD2 -0.63 -0.02 0.05 -0.04 7.28 6.64 2dy7A4 PHE 249 HE2 -0.02 -0.06 0.00 -0.04 7.38 7.26 2dy7A4 PHE 249 HZ 0.00 -0.06 -0.00 -0.04 7.32 7.22 2dy7A4 ILE 250 H -0.07 0.20 0.05 -0.55 8.25 7.88 2dy7A4 ILE 250 HA 0.02 0.14 0.97 -0.75 4.18 4.56 2dy7A4 ILE 250 HB -0.04 -0.09 0.19 -0.04 1.89 1.91 2dy7A4 ILE 250 HG12 -0.26 -0.09 -0.07 -0.04 1.49 1.04 2dy7A4 ILE 250 HG13 -0.02 0.20 -0.16 -0.04 1.21 1.19 2dy7A4 ILE 250 HG23 -0.05 -0.02 -0.27 -0.04 0.93 0.55 2dy7A4 ILE 250 HD13 -0.69 -0.04 -0.20 -0.04 0.88 -0.08 2dy7A4 ILE 251 H -0.06 0.24 0.29 -0.55 8.25 8.18 2dy7A4 ILE 251 HA -0.02 0.26 0.87 -0.75 4.18 4.54 2dy7A4 ILE 251 HB -0.03 -0.09 0.11 -0.04 1.89 1.84 2dy7A4 ILE 251 HG12 -0.02 0.28 -0.81 -0.04 1.49 0.90 2dy7A4 ILE 251 HG13 -0.02 0.16 -0.51 -0.04 1.21 0.80 2dy7A4 ILE 251 HG23 -0.02 -0.06 0.22 -0.04 0.93 1.03 2dy7A4 ILE 251 HD13 -0.01 -0.06 -0.26 -0.04 0.88 0.51 2dy7A4 GLU 252 H -0.03 -0.01 0.12 -0.55 8.60 8.13 2dy7A4 GLU 252 HA -0.07 0.37 0.76 -0.75 4.29 4.60 2dy7A4 GLU 252 HB2 -0.03 -0.06 0.08 -0.04 2.09 2.04 2dy7A4 GLU 252 HB3 -0.04 0.01 0.07 -0.04 1.99 1.99 2dy7A4 GLU 252 HG2 -0.04 0.28 -0.89 -0.04 2.34 1.65 2dy7A4 GLU 252 HG3 -0.02 -0.04 -0.15 -0.04 2.34 2.09