============================================================================= 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 8.889 5.380 -9.025 -99.200 -91.000 HIS 6 0.900 12.371 -0.245 -6.204 -99.200 -91.000 HIS 14 0.900 -7.853 -7.567 2.584 -99.200 -91.000 TYR 40 0.840 -12.004 -3.952 3.114 -99.200 -91.000 PHE 42 1.000 -6.132 -3.219 0.062 -99.200 -91.000 TRP 46 1.040 5.517 -0.135 2.220 -99.200 -91.000 TRP6 46 1.020 4.710 1.024 0.281 -99.200 -91.000 HIS 51 0.900 15.086 3.062 7.758 -99.200 -91.000 HIS 53 0.900 8.209 -5.017 9.750 -99.200 -91.000 TRP 56 1.040 -1.415 -2.955 8.450 -99.200 -91.000 TRP6 56 1.020 -3.199 -4.319 7.615 -99.200 -91.000 TYR 59 0.840 -5.848 -0.213 -4.246 -99.200 -91.000 TYR 74 0.840 -3.874 -8.584 -0.156 -99.200 -91.000 PHE 78 1.000 -4.286 -12.972 -0.179 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dy7A1 GLN 172 HA 0.01 -0.06 0.22 -0.75 4.36 3.77 2dy7A1 GLN 172 HB2 0.01 -0.05 0.07 -0.04 2.15 2.15 2dy7A1 GLN 172 HB3 0.02 -0.03 0.15 -0.04 2.02 2.11 2dy7A1 GLN 172 HG2 0.02 0.08 -0.08 -0.04 2.40 2.37 2dy7A1 GLN 172 HG3 0.02 -0.06 0.01 -0.04 2.39 2.32 2dy7A1 GLN 172 HE21 0.05 -0.02 -0.00 -0.04 6.97 6.96 2dy7A1 GLN 172 HE22 0.06 -0.08 0.01 -0.04 7.69 7.64 2dy7A1 PRO 173 HA 0.00 0.11 0.40 -0.51 4.44 4.45 2dy7A1 PRO 173 HB2 -0.03 -0.07 0.06 -0.04 2.28 2.20 2dy7A1 PRO 173 HB3 -0.01 0.04 0.09 -0.04 2.02 2.10 2dy7A1 PRO 173 HG2 -0.01 -0.02 -0.08 -0.04 2.03 1.87 2dy7A1 PRO 173 HG3 -0.01 0.03 0.02 -0.04 2.03 2.03 2dy7A1 PRO 173 HD2 0.00 0.06 0.12 -0.04 3.68 3.81 2dy7A1 PRO 173 HD3 -0.00 0.17 0.12 -0.04 3.65 3.90 2dy7A1 GLU 174 H -0.03 0.16 0.07 -0.55 8.60 8.26 2dy7A1 GLU 174 HA 0.02 0.14 0.87 -0.75 4.29 4.58 2dy7A1 GLU 174 HB2 0.05 0.06 -0.12 -0.04 2.09 2.04 2dy7A1 GLU 174 HB3 -0.03 -0.01 0.18 -0.04 1.99 2.09 2dy7A1 GLU 174 HG2 0.32 0.00 -0.01 -0.04 2.34 2.60 2dy7A1 GLU 174 HG3 0.27 -0.10 0.05 -0.04 2.34 2.52 2dy7A1 ASP 175 H -0.12 0.15 0.05 -0.55 8.40 7.94 2dy7A1 ASP 175 HA -0.41 0.16 0.68 -0.75 4.63 4.31 2dy7A1 ASP 175 HB2 -0.10 -0.05 -0.26 -0.04 2.71 2.26 2dy7A1 ASP 175 HB3 -0.10 0.00 0.01 -0.04 2.70 2.58 2dy7A1 PHE 176 H -0.38 -0.01 0.07 -0.55 8.34 7.47 2dy7A1 PHE 176 HA 0.04 -0.03 0.35 -0.75 4.62 4.23 2dy7A1 PHE 176 HB2 0.20 0.08 0.07 -0.04 3.15 3.46 2dy7A1 PHE 176 HB3 0.06 -0.02 0.14 -0.04 3.06 3.21 2dy7A1 PHE 176 HD2 0.08 0.22 -0.17 -0.04 7.28 7.37 2dy7A1 PHE 176 HE2 0.04 -0.01 -0.02 -0.04 7.38 7.35 2dy7A1 PHE 176 HZ 0.04 0.05 -0.01 -0.04 7.32 7.36 2dy7A1 HIS 177 H 0.31 0.01 0.16 -0.55 8.41 8.34 2dy7A1 HIS 177 HA 0.07 0.07 0.40 -0.75 4.63 4.42 2dy7A1 HIS 177 HB2 0.06 -0.02 0.05 -0.04 3.26 3.31 2dy7A1 HIS 177 HB3 0.06 0.02 0.13 -0.04 3.20 3.37 2dy7A1 HIS 177 HD2 0.05 0.01 -0.05 -0.04 6.97 6.94 2dy7A1 HIS 177 HE1 0.04 0.01 -0.02 -0.04 7.75 7.74 2dy7A1 GLY 178 H 0.09 0.08 0.09 -0.55 8.43 8.13 2dy7A1 GLY 178 HA2 0.09 0.07 0.58 -0.51 4.01 4.24 2dy7A1 GLY 178 HA3 0.23 0.16 0.39 -0.51 4.01 4.27 2dy7A1 ILE 179 H -0.04 0.22 0.14 -0.55 8.25 8.02 2dy7A1 ILE 179 HA -0.65 0.12 0.72 -0.75 4.18 3.61 2dy7A1 ILE 179 HB -0.27 -0.07 -0.04 -0.04 1.89 1.47 2dy7A1 ILE 179 HG12 -0.79 0.01 -0.17 -0.04 1.49 0.50 2dy7A1 ILE 179 HG13 -1.25 0.05 -0.10 -0.04 1.21 -0.13 2dy7A1 ILE 179 HG23 -0.24 0.03 -0.20 -0.04 0.93 0.47 2dy7A1 ILE 179 HD13 -0.45 0.00 -0.09 -0.04 0.88 0.30 2dy7A1 ASP 180 H -0.38 0.27 0.13 -0.55 8.40 7.88 2dy7A1 ASP 180 HA -0.09 0.09 0.66 -0.75 4.63 4.54 2dy7A1 ASP 180 HB2 -0.09 -0.17 -0.03 -0.04 2.71 2.38 2dy7A1 ASP 180 HB3 -0.14 0.19 0.07 -0.04 2.70 2.78 2dy7A1 ILE 181 H -0.33 0.35 0.20 -0.55 8.25 7.92 2dy7A1 ILE 181 HA -0.15 0.14 0.59 -0.75 4.18 4.00 2dy7A1 ILE 181 HB -0.15 -0.06 -0.03 -0.04 1.89 1.61 2dy7A1 ILE 181 HG12 -0.06 0.08 0.10 -0.04 1.49 1.57 2dy7A1 ILE 181 HG13 -0.08 -0.05 -0.73 -0.04 1.21 0.30 2dy7A1 ILE 181 HG23 -0.09 -0.01 -0.27 -0.04 0.93 0.53 2dy7A1 ILE 181 HD13 -0.04 -0.01 -0.07 -0.04 0.88 0.73 2dy7A1 VAL 182 H -0.17 0.24 0.01 -0.55 8.24 7.77 2dy7A1 VAL 182 HA -0.51 0.17 0.77 -0.75 4.13 3.81 2dy7A1 VAL 182 HB -0.31 0.06 0.15 -0.04 2.12 1.99 2dy7A1 VAL 182 HG13 -1.39 0.00 -0.09 -0.04 0.97 -0.56 2dy7A1 VAL 182 HG23 -0.31 -0.01 -0.25 -0.04 0.95 0.34 2dy7A1 ILE 183 H -0.39 0.25 0.22 -0.55 8.25 7.77 2dy7A1 ILE 183 HA -0.15 0.04 0.32 -0.75 4.18 3.63 2dy7A1 ILE 183 HB -0.38 -0.06 0.05 -0.04 1.89 1.45 2dy7A1 ILE 183 HG12 -0.31 0.00 0.05 -0.04 1.49 1.19 2dy7A1 ILE 183 HG13 -0.21 -0.03 -0.02 -0.04 1.21 0.90 2dy7A1 ILE 183 HG23 -0.09 0.00 -0.05 -0.04 0.93 0.76 2dy7A1 ILE 183 HD13 -0.13 0.00 -0.07 -0.04 0.88 0.64 2dy7A1 ASN 184 H -0.54 0.21 -0.07 -0.55 8.53 7.58 2dy7A1 ASN 184 HA 0.06 0.17 0.36 -0.75 4.76 4.60 2dy7A1 ASN 184 HB2 -0.05 0.10 -0.64 -0.04 2.88 2.25 2dy7A1 ASN 184 HB3 0.07 -0.07 -0.08 -0.04 2.79 2.66 2dy7A1 ASN 184 HD21 0.17 -0.06 0.01 -0.04 7.03 7.11 2dy7A1 ASN 184 HD22 0.07 0.01 0.07 -0.04 7.74 7.85 2dy7A1 HIS 185 H 0.16 0.33 0.20 -0.55 8.41 8.55 2dy7A1 HIS 185 HA 0.09 -0.08 0.54 -0.75 4.63 4.43 2dy7A1 HIS 185 HB2 -0.65 0.35 0.32 -0.04 3.26 3.25 2dy7A1 HIS 185 HB3 0.31 -0.01 -0.45 -0.04 3.20 3.01 2dy7A1 HIS 185 HD2 0.08 -0.03 -0.15 -0.04 6.97 6.82 2dy7A1 HIS 185 HE1 0.09 0.15 -0.11 -0.04 7.75 7.83 2dy7A1 ARG 186 H 0.26 0.51 0.20 -0.55 8.46 8.88 2dy7A1 ARG 186 HA 0.14 0.10 0.42 -0.75 4.34 4.25 2dy7A1 ARG 186 HB2 -0.11 -0.06 0.18 -0.04 1.90 1.88 2dy7A1 ARG 186 HB3 0.00 0.27 -0.23 -0.04 1.80 1.81 2dy7A1 ARG 186 HG2 0.03 -0.13 -0.32 -0.04 1.67 1.21 2dy7A1 ARG 186 HG3 -0.13 0.22 -0.38 -0.04 1.67 1.34 2dy7A1 ARG 186 HD2 -0.53 -0.05 -0.07 -0.04 3.22 2.53 2dy7A1 ARG 186 HD3 -0.32 0.01 -0.03 -0.04 3.22 2.84 2dy7A1 LEU 187 H -0.27 0.14 0.18 -0.55 8.37 7.88 2dy7A1 LEU 187 HA -1.09 0.24 0.50 -0.75 4.35 3.24 2dy7A1 LEU 187 HB2 -0.33 0.03 0.21 -0.04 1.64 1.51 2dy7A1 LEU 187 HB3 -0.23 -0.08 0.07 -0.04 1.64 1.35 2dy7A1 LEU 187 HG -0.40 0.17 0.10 -0.04 1.64 1.46 2dy7A1 LEU 187 HD13 -0.17 0.01 0.08 -0.04 0.93 0.80 2dy7A1 LEU 187 HD23 -0.13 -0.01 -0.17 -0.04 0.89 0.55 2dy7A1 LYS 188 H -0.22 0.32 -0.14 -0.55 8.42 7.82 2dy7A1 LYS 188 HA -0.01 0.06 0.38 -0.75 4.32 3.99 2dy7A1 LYS 188 HB2 0.05 0.03 0.00 -0.04 1.87 1.91 2dy7A1 LYS 188 HB3 0.07 -0.01 -0.34 -0.04 1.79 1.47 2dy7A1 LYS 188 HG2 -0.03 -0.03 -0.37 -0.04 1.46 0.99 2dy7A1 LYS 188 HG3 -0.03 0.03 -0.06 -0.04 1.46 1.36 2dy7A1 LYS 188 HD2 0.04 0.13 0.05 -0.04 1.69 1.87 2dy7A1 LYS 188 HD3 0.05 0.00 -0.00 -0.04 1.68 1.69 2dy7A1 LYS 188 HE2 0.14 -0.00 -0.01 -0.04 2.99 3.08 2dy7A1 LYS 188 HE3 0.12 0.18 -0.18 -0.04 2.99 3.07 2dy7A1 THR 189 H -0.11 0.65 -0.12 -0.55 8.28 8.15 2dy7A1 THR 189 HA -0.06 0.09 0.34 -0.75 4.39 4.00 2dy7A1 THR 189 HB -0.11 -0.02 0.07 -0.04 4.32 4.22 2dy7A1 THR 189 HG23 -0.07 -0.02 -0.03 -0.04 1.22 1.05 2dy7A1 SER 190 H -0.04 0.09 -0.27 -0.55 8.46 7.70 2dy7A1 SER 190 HA 0.00 0.04 0.24 -0.75 4.49 4.02 2dy7A1 SER 190 HB2 0.00 0.18 -0.44 -0.04 3.95 3.64 2dy7A1 SER 190 HB3 0.01 0.03 0.15 -0.04 3.93 4.08 2dy7A1 LEU 191 H -0.06 -0.04 -0.49 -0.55 8.37 7.23 2dy7A1 LEU 191 HA -0.05 -0.04 0.19 -0.75 4.35 3.70 2dy7A1 LEU 191 HB2 -0.03 -0.11 -0.25 -0.04 1.64 1.20 2dy7A1 LEU 191 HB3 -0.02 0.32 0.02 -0.04 1.64 1.92 2dy7A1 LEU 191 HG -0.03 0.03 0.19 -0.04 1.64 1.79 2dy7A1 LEU 191 HD13 -0.03 -0.02 -0.01 -0.04 0.93 0.83 2dy7A1 LEU 191 HD23 -0.01 0.00 0.01 -0.04 0.89 0.85 2dy7A1 GLU 192 H -0.03 0.70 -0.56 -0.55 8.60 8.17 2dy7A1 GLU 192 HA -0.02 0.10 0.74 -0.75 4.29 4.36 2dy7A1 GLU 192 HB2 -0.01 0.12 0.11 -0.04 2.09 2.26 2dy7A1 GLU 192 HB3 -0.01 -0.03 0.06 -0.04 1.99 1.96 2dy7A1 GLU 192 HG2 -0.01 0.00 0.02 -0.04 2.34 2.32 2dy7A1 GLU 192 HG3 -0.00 -0.06 0.01 -0.04 2.34 2.25 2dy7A1 GLU 193 H -0.04 0.12 0.13 -0.55 8.60 8.27 2dy7A1 GLU 193 HA -0.04 -0.06 0.35 -0.75 4.29 3.78 2dy7A1 GLU 193 HB2 -0.04 -0.09 -0.38 -0.04 2.09 1.53 2dy7A1 GLU 193 HB3 -0.03 0.28 -0.09 -0.04 1.99 2.10 2dy7A1 GLU 193 HG2 -0.03 0.04 -0.03 -0.04 2.34 2.28 2dy7A1 GLU 193 HG3 -0.04 -0.06 0.07 -0.04 2.34 2.26 2dy7A1 GLY 194 H -0.03 0.08 0.05 -0.55 8.43 7.98 2dy7A1 GLY 194 HA2 -0.02 0.05 0.35 -0.51 4.01 3.88 2dy7A1 GLY 194 HA3 -0.01 0.14 0.52 -0.51 4.01 4.15 2dy7A1 LYS 195 H -0.02 0.17 0.10 -0.55 8.42 8.11 2dy7A1 LYS 195 HA -0.01 0.18 0.85 -0.75 4.32 4.58 2dy7A1 LYS 195 HB2 -0.01 0.03 0.09 -0.04 1.87 1.94 2dy7A1 LYS 195 HB3 -0.01 0.03 -0.21 -0.04 1.79 1.57 2dy7A1 LYS 195 HG2 -0.02 -0.10 -0.01 -0.04 1.46 1.29 2dy7A1 LYS 195 HG3 -0.01 0.07 -0.22 -0.04 1.46 1.26 2dy7A1 LYS 195 HD2 -0.00 0.02 -0.09 -0.04 1.69 1.58 2dy7A1 LYS 195 HD3 -0.01 -0.00 -0.08 -0.04 1.68 1.55 2dy7A1 LYS 195 HE2 0.00 -0.01 -0.08 -0.04 2.99 2.87 2dy7A1 LYS 195 HE3 0.00 0.01 -0.06 -0.04 2.99 2.91 2dy7A1 VAL 196 H -0.01 0.16 0.17 -0.55 8.24 8.02 2dy7A1 VAL 196 HA -0.03 0.16 0.85 -0.75 4.13 4.36 2dy7A1 VAL 196 HB -0.01 0.00 0.05 -0.04 2.12 2.12 2dy7A1 VAL 196 HG13 -0.02 0.02 -0.11 -0.04 0.97 0.82 2dy7A1 VAL 196 HG23 -0.00 0.01 -0.02 -0.04 0.95 0.89 2dy7A1 LEU 197 H -0.01 0.20 0.10 -0.55 8.37 8.11 2dy7A1 LEU 197 HA 0.02 0.17 0.86 -0.75 4.35 4.64 2dy7A1 LEU 197 HB2 0.00 0.00 0.14 -0.04 1.64 1.74 2dy7A1 LEU 197 HB3 0.05 -0.01 0.06 -0.04 1.64 1.69 2dy7A1 LEU 197 HG 0.01 0.20 -0.14 -0.04 1.64 1.66 2dy7A1 LEU 197 HD13 -0.02 -0.01 -0.33 -0.04 0.93 0.52 2dy7A1 LEU 197 HD23 0.03 0.01 -0.04 -0.04 0.89 0.85 2dy7A1 GLU 198 H 0.02 0.24 0.06 -0.55 8.60 8.37 2dy7A1 GLU 198 HA 0.04 0.15 0.69 -0.75 4.29 4.42 2dy7A1 GLU 198 HB2 0.02 0.05 0.19 -0.04 2.09 2.31 2dy7A1 GLU 198 HB3 0.02 -0.00 0.06 -0.04 1.99 2.02 2dy7A1 GLU 198 HG2 0.01 0.02 0.02 -0.04 2.34 2.36 2dy7A1 GLU 198 HG3 0.02 -0.04 -0.03 -0.04 2.34 2.25 2dy7A1 LYS 199 H 0.06 0.09 -0.57 -0.55 8.42 7.44 2dy7A1 LYS 199 HA 0.04 0.13 0.56 -0.75 4.32 4.30 2dy7A1 LYS 199 HB2 0.04 -0.06 0.03 -0.04 1.87 1.85 2dy7A1 LYS 199 HB3 0.07 0.06 0.01 -0.04 1.79 1.89 2dy7A1 LYS 199 HG2 0.05 0.01 0.03 -0.04 1.46 1.51 2dy7A1 LYS 199 HG3 0.04 0.02 0.18 -0.04 1.46 1.66 2dy7A1 LYS 199 HD2 0.03 0.00 0.02 -0.04 1.69 1.70 2dy7A1 LYS 199 HD3 0.03 -0.01 0.01 -0.04 1.68 1.68 2dy7A1 LYS 199 HE2 0.03 -0.01 0.03 -0.04 2.99 3.00 2dy7A1 LYS 199 HE3 0.02 0.00 0.01 -0.04 2.99 2.98 2dy7A1 THR 200 H 0.08 -0.01 -0.49 -0.55 8.28 7.31 2dy7A1 THR 200 HA 0.13 0.00 0.26 -0.75 4.39 4.03 2dy7A1 THR 200 HB 0.05 0.12 -0.09 -0.04 4.32 4.36 2dy7A1 THR 200 HG23 0.07 0.03 0.06 -0.04 1.22 1.33 2dy7A1 VAL 201 H 0.04 0.17 0.09 -0.55 8.24 7.99 2dy7A1 VAL 201 HA -0.01 0.08 0.82 -0.75 4.13 4.27 2dy7A1 VAL 201 HB -0.19 -0.00 0.01 -0.04 2.12 1.90 2dy7A1 VAL 201 HG13 -0.54 -0.05 -0.46 -0.04 0.97 -0.12 2dy7A1 VAL 201 HG23 -0.03 -0.01 0.14 -0.04 0.95 1.02 2dy7A1 PRO 202 HA -0.01 0.21 0.71 -0.51 4.44 4.83 2dy7A1 PRO 202 HB2 -0.00 -0.03 0.05 -0.04 2.28 2.25 2dy7A1 PRO 202 HB3 0.00 0.06 0.09 -0.04 2.02 2.13 2dy7A1 PRO 202 HG2 0.00 -0.12 0.15 -0.04 2.03 2.03 2dy7A1 PRO 202 HG3 0.01 0.12 0.08 -0.04 2.03 2.20 2dy7A1 PRO 202 HD2 0.00 -0.10 0.24 -0.04 3.68 3.78 2dy7A1 PRO 202 HD3 0.02 0.39 0.05 -0.04 3.65 4.07 2dy7A1 ASP 203 H -0.01 0.02 0.13 -0.55 8.40 7.99 2dy7A1 ASP 203 HA -0.03 0.26 0.80 -0.75 4.63 4.91 2dy7A1 ASP 203 HB2 -0.02 -0.16 0.20 -0.04 2.71 2.69 2dy7A1 ASP 203 HB3 -0.01 0.13 0.05 -0.04 2.70 2.82 2dy7A1 LEU 204 H -0.03 0.18 0.11 -0.55 8.37 8.09 2dy7A1 LEU 204 HA -0.03 0.18 0.48 -0.75 4.35 4.23 2dy7A1 LEU 204 HB2 -0.04 0.07 0.03 -0.04 1.64 1.65 2dy7A1 LEU 204 HB3 -0.06 0.01 0.04 -0.04 1.64 1.59 2dy7A1 LEU 204 HG -0.20 -0.02 -0.05 -0.04 1.64 1.33 2dy7A1 LEU 204 HD13 -0.05 -0.01 0.04 -0.04 0.93 0.86 2dy7A1 LEU 204 HD23 -0.08 0.01 -0.02 -0.04 0.89 0.77 2dy7A1 ASN 205 H -0.03 0.03 -0.17 -0.55 8.53 7.82 2dy7A1 ASN 205 HA -0.04 0.13 0.37 -0.75 4.76 4.47 2dy7A1 ASN 205 HB2 -0.01 -0.09 0.10 -0.04 2.88 2.85 2dy7A1 ASN 205 HB3 -0.00 0.11 -0.05 -0.04 2.79 2.81 2dy7A1 ASN 205 HD21 -0.01 0.03 0.01 -0.04 7.03 7.02 2dy7A1 ASN 205 HD22 -0.02 0.04 -0.00 -0.04 7.74 7.72 2dy7A1 ASN 206 H 0.01 0.04 -0.15 -0.55 8.53 7.88 2dy7A1 ASN 206 HA 0.07 0.07 0.28 -0.75 4.76 4.42 2dy7A1 ASN 206 HB2 0.01 -0.15 0.13 -0.04 2.88 2.83 2dy7A1 ASN 206 HB3 0.04 0.15 0.02 -0.04 2.79 2.95 2dy7A1 ASN 206 HD21 0.11 -0.01 0.04 -0.04 7.03 7.12 2dy7A1 ASN 206 HD22 0.07 -0.03 0.01 -0.04 7.74 7.75 2dy7A1 CYS 207 H 0.01 0.14 -0.49 -0.55 8.50 7.61 2dy7A1 CYS 207 HA 0.27 0.12 0.24 -0.75 4.58 4.45 2dy7A1 CYS 207 HB2 0.04 0.02 0.04 -0.04 2.97 3.03 2dy7A1 CYS 207 HB3 0.41 -0.01 -0.11 -0.04 2.97 3.22 2dy7A1 LYS 208 H 0.03 0.55 -0.06 -0.55 8.42 8.38 2dy7A1 LYS 208 HA -0.05 -0.12 0.34 -0.75 4.32 3.74 2dy7A1 LYS 208 HB2 -0.37 -0.07 0.14 -0.04 1.87 1.53 2dy7A1 LYS 208 HB3 -0.10 0.02 0.24 -0.04 1.79 1.91 2dy7A1 LYS 208 HG2 -0.08 0.05 -0.12 -0.04 1.46 1.27 2dy7A1 LYS 208 HG3 -0.37 -0.10 0.05 -0.04 1.46 1.00 2dy7A1 LYS 208 HD2 -0.08 -0.02 -0.09 -0.04 1.69 1.46 2dy7A1 LYS 208 HD3 -0.09 -0.01 -0.05 -0.04 1.68 1.49 2dy7A1 LYS 208 HE2 -0.23 0.04 -0.14 -0.04 2.99 2.62 2dy7A1 LYS 208 HE3 -0.11 -0.04 -0.09 -0.04 2.99 2.71 2dy7A1 GLU 209 H 0.09 0.41 -0.94 -0.55 8.60 7.61 2dy7A1 GLU 209 HA 0.06 0.06 0.73 -0.75 4.29 4.38 2dy7A1 GLU 209 HB2 0.05 -0.08 0.04 -0.04 2.09 2.05 2dy7A1 GLU 209 HB3 0.04 -0.07 -0.07 -0.04 1.99 1.85 2dy7A1 GLU 209 HG2 0.08 -0.09 0.04 -0.04 2.34 2.33 2dy7A1 GLU 209 HG3 0.12 0.18 -0.04 -0.04 2.34 2.56 2dy7A1 ASN 210 H 0.21 0.44 -0.06 -0.55 8.53 8.58 2dy7A1 ASN 210 HA 0.09 0.05 0.58 -0.75 4.76 4.72 2dy7A1 ASN 210 HB2 0.12 0.06 -0.02 -0.04 2.88 3.00 2dy7A1 ASN 210 HB3 0.02 -0.13 0.19 -0.04 2.79 2.83 2dy7A1 ASN 210 HD21 0.06 -0.10 -0.28 -0.04 7.03 6.66 2dy7A1 ASN 210 HD22 0.04 -0.06 -0.04 -0.04 7.74 7.64 2dy7A1 TYR 211 H 0.23 0.28 0.16 -0.55 8.29 8.41 2dy7A1 TYR 211 HA 0.01 -0.13 0.75 -0.75 4.56 4.44 2dy7A1 TYR 211 HB2 0.13 0.07 -0.08 -0.04 3.06 3.14 2dy7A1 TYR 211 HB3 -0.14 0.01 -0.11 -0.04 2.98 2.69 2dy7A1 TYR 211 HD2 0.06 0.10 -0.16 -0.04 7.15 7.11 2dy7A1 TYR 211 HE2 0.08 0.01 -0.14 -0.04 6.85 6.76 2dy7A1 GLU 212 H -0.00 0.91 0.26 -0.55 8.60 9.22 2dy7A1 GLU 212 HA 0.23 0.09 0.96 -0.75 4.29 4.81 2dy7A1 GLU 212 HB2 0.28 0.10 -0.04 -0.04 2.09 2.40 2dy7A1 GLU 212 HB3 0.12 -0.12 -0.11 -0.04 1.99 1.84 2dy7A1 GLU 212 HG2 0.07 0.28 -0.35 -0.04 2.34 2.30 2dy7A1 GLU 212 HG3 0.52 -0.10 -0.36 -0.04 2.34 2.35 2dy7A1 PHE 213 H 0.27 0.78 0.27 -0.55 8.34 9.10 2dy7A1 PHE 213 HA -0.04 0.11 0.96 -0.75 4.62 4.90 2dy7A1 PHE 213 HB2 -0.21 -0.11 -0.08 -0.04 3.15 2.71 2dy7A1 PHE 213 HB3 -0.42 0.07 -0.08 -0.04 3.06 2.58 2dy7A1 PHE 213 HD2 -0.02 -0.04 -0.19 -0.04 7.28 6.99 2dy7A1 PHE 213 HE2 0.24 0.03 -0.20 -0.04 7.38 7.41 2dy7A1 PHE 213 HZ 0.18 -0.05 -0.18 -0.04 7.32 7.22 2dy7A1 LEU 214 H -1.04 0.80 0.14 -0.55 8.37 7.73 2dy7A1 LEU 214 HA -1.36 0.16 0.61 -0.75 4.35 3.00 2dy7A1 LEU 214 HB2 -2.76 0.01 -0.08 -0.04 1.64 -1.22 2dy7A1 LEU 214 HB3 -0.88 -0.28 0.18 -0.04 1.64 0.62 2dy7A1 LEU 214 HG -0.52 -0.08 -0.16 -0.04 1.64 0.84 2dy7A1 LEU 214 HD13 -0.99 0.00 -0.32 -0.04 0.93 -0.43 2dy7A1 LEU 214 HD23 0.10 0.02 -0.15 -0.04 0.89 0.82 2dy7A1 ILE 215 H -0.33 0.82 0.58 -0.55 8.25 8.77 2dy7A1 ILE 215 HA -0.63 0.12 0.80 -0.75 4.18 3.72 2dy7A1 ILE 215 HB -0.25 -0.02 0.22 -0.04 1.89 1.81 2dy7A1 ILE 215 HG12 -0.10 0.11 0.19 -0.04 1.49 1.65 2dy7A1 ILE 215 HG13 -0.03 -0.08 -0.05 -0.04 1.21 1.01 2dy7A1 ILE 215 HG23 -1.90 -0.01 -0.16 -0.04 0.93 -1.19 2dy7A1 ILE 215 HD13 -0.38 0.01 -0.39 -0.04 0.88 0.07 2dy7A1 LYS 216 H -0.49 0.93 0.45 -0.55 8.42 8.75 2dy7A1 LYS 216 HA -0.24 -0.01 0.59 -0.75 4.32 3.90 2dy7A1 LYS 216 HB2 -0.23 -0.03 0.13 -0.04 1.87 1.70 2dy7A1 LYS 216 HB3 -0.26 0.05 0.36 -0.04 1.79 1.90 2dy7A1 LYS 216 HG2 -0.13 -0.01 -0.18 -0.04 1.46 1.10 2dy7A1 LYS 216 HG3 -0.12 0.02 -0.01 -0.04 1.46 1.31 2dy7A1 LYS 216 HD2 -0.11 0.00 -0.03 -0.04 1.69 1.51 2dy7A1 LYS 216 HD3 -0.08 -0.01 -0.09 -0.04 1.68 1.46 2dy7A1 LYS 216 HE2 -0.03 0.01 -0.04 -0.04 2.99 2.90 2dy7A1 LYS 216 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2dy7A1 TRP 217 H 0.10 0.24 0.14 -0.55 7.97 7.90 2dy7A1 TRP 217 HA -0.11 -0.02 0.57 -0.75 4.62 4.31 2dy7A1 TRP 217 HB2 -0.09 0.05 -0.06 -0.04 3.23 3.09 2dy7A1 TRP 217 HB3 -0.10 0.02 0.10 -0.04 3.23 3.21 2dy7A1 TRP 217 HD1 -0.12 0.04 0.16 -0.04 7.22 7.26 2dy7A1 TRP 217 HE1 -0.10 -0.11 0.10 -0.04 10.20 10.04 2dy7A1 TRP 217 HE3 -0.10 0.27 0.09 -0.04 7.59 7.82 2dy7A1 TRP 217 HZ2 -0.07 -0.08 -0.06 -0.04 7.44 7.19 2dy7A1 TRP 217 HZ3 -0.05 -0.02 -0.16 -0.04 7.13 6.85 2dy7A1 TRP 217 HH2 -0.06 -0.04 -0.06 -0.04 7.19 6.98 2dy7A1 THR 218 H 0.13 0.16 0.09 -0.55 8.28 8.11 2dy7A1 THR 218 HA 0.03 0.01 0.30 -0.75 4.39 3.97 2dy7A1 THR 218 HB 0.04 0.05 -0.04 -0.04 4.32 4.32 2dy7A1 THR 218 HG23 -0.05 0.03 -0.01 -0.04 1.22 1.15 2dy7A1 ASP 219 H 0.02 0.11 0.10 -0.55 8.40 8.08 2dy7A1 ASP 219 HA 0.02 0.21 0.48 -0.75 4.63 4.58 2dy7A1 ASP 219 HB2 0.03 -0.02 0.16 -0.04 2.71 2.83 2dy7A1 ASP 219 HB3 0.03 0.01 0.21 -0.04 2.70 2.90 2dy7A1 GLU 220 H -0.06 0.42 0.12 -0.55 8.60 8.53 2dy7A1 GLU 220 HA -0.01 0.08 0.39 -0.75 4.29 4.00 2dy7A1 GLU 220 HB2 -0.12 0.04 0.18 -0.04 2.09 2.14 2dy7A1 GLU 220 HB3 -0.10 -0.05 0.01 -0.04 1.99 1.81 2dy7A1 GLU 220 HG2 -0.00 -0.00 0.01 -0.04 2.34 2.30 2dy7A1 GLU 220 HG3 0.00 0.03 0.02 -0.04 2.34 2.35 2dy7A1 SER 221 H -0.14 -0.07 -0.05 -0.55 8.46 7.66 2dy7A1 SER 221 HA 0.00 0.13 0.34 -0.75 4.49 4.21 2dy7A1 SER 221 HB2 0.01 -0.08 -0.64 -0.04 3.95 3.21 2dy7A1 SER 221 HB3 0.08 -0.02 -0.04 -0.04 3.93 3.91 2dy7A1 HIS 222 H -0.30 0.08 0.13 -0.55 8.41 7.78 2dy7A1 HIS 222 HA 0.01 0.23 0.76 -0.75 4.63 4.89 2dy7A1 HIS 222 HB2 0.00 0.04 0.09 -0.04 3.26 3.36 2dy7A1 HIS 222 HB3 0.00 0.01 0.01 -0.04 3.20 3.19 2dy7A1 HIS 222 HD2 -0.00 0.01 -0.33 -0.04 6.97 6.60 2dy7A1 HIS 222 HE1 -0.01 0.03 -0.00 -0.04 7.75 7.72 2dy7A1 LEU 223 H -0.49 -0.21 0.04 -0.55 8.37 7.16 2dy7A1 LEU 223 HA -0.00 0.12 0.61 -0.75 4.35 4.32 2dy7A1 LEU 223 HB2 -0.37 -0.20 0.21 -0.04 1.64 1.24 2dy7A1 LEU 223 HB3 -0.07 0.14 -0.01 -0.04 1.64 1.66 2dy7A1 LEU 223 HG -0.14 -0.03 0.00 -0.04 1.64 1.44 2dy7A1 LEU 223 HD13 -0.12 0.00 0.02 -0.04 0.93 0.79 2dy7A1 LEU 223 HD23 -0.08 0.03 0.04 -0.04 0.89 0.84 2dy7A1 HIS 224 H 0.13 0.18 0.18 -0.55 8.41 8.36 2dy7A1 HIS 224 HA 0.04 0.17 0.82 -0.75 4.63 4.91 2dy7A1 HIS 224 HB2 0.04 0.06 -0.19 -0.04 3.26 3.13 2dy7A1 HIS 224 HB3 0.06 0.05 0.03 -0.04 3.20 3.30 2dy7A1 HIS 224 HD2 0.07 0.05 -0.02 -0.04 6.97 7.02 2dy7A1 HIS 224 HE1 0.03 0.02 0.02 -0.04 7.75 7.77 2dy7A1 ASN 225 H -1.22 0.09 0.12 -0.55 8.53 6.97 2dy7A1 ASN 225 HA -0.06 0.03 0.44 -0.75 4.76 4.41 2dy7A1 ASN 225 HB2 -0.39 0.01 -0.01 -0.04 2.88 2.45 2dy7A1 ASN 225 HB3 -0.27 -0.03 -0.08 -0.04 2.79 2.36 2dy7A1 ASN 225 HD21 -0.15 0.04 0.02 -0.04 7.03 6.90 2dy7A1 ASN 225 HD22 -0.20 0.02 -0.00 -0.04 7.74 7.51 2dy7A1 THR 226 H 0.04 0.33 0.27 -0.55 8.28 8.38 2dy7A1 THR 226 HA 0.20 0.17 0.72 -0.75 4.39 4.73 2dy7A1 THR 226 HB 0.16 -0.02 0.07 -0.04 4.32 4.49 2dy7A1 THR 226 HG23 0.11 0.07 -0.20 -0.04 1.22 1.16 2dy7A1 TRP 227 H 0.38 0.22 0.08 -0.55 7.97 8.11 2dy7A1 TRP 227 HA 0.07 0.19 0.82 -0.75 4.62 4.95 2dy7A1 TRP 227 HB2 0.04 0.01 0.15 -0.04 3.23 3.39 2dy7A1 TRP 227 HB3 0.03 -0.00 0.01 -0.04 3.23 3.23 2dy7A1 TRP 227 HD1 0.03 0.01 -0.18 -0.04 7.22 7.04 2dy7A1 TRP 227 HE1 -0.00 0.05 -0.16 -0.04 10.20 10.05 2dy7A1 TRP 227 HE3 -0.02 -0.01 -0.31 -0.04 7.59 7.21 2dy7A1 TRP 227 HZ2 -0.03 0.06 -0.15 -0.04 7.44 7.28 2dy7A1 TRP 227 HZ3 -0.07 -0.15 -0.41 -0.04 7.13 6.46 2dy7A1 TRP 227 HH2 -0.07 0.11 -0.21 -0.04 7.19 6.98 2dy7A1 GLU 228 H 0.14 0.34 0.19 -0.55 8.60 8.72 2dy7A1 GLU 228 HA 0.20 0.20 0.74 -0.75 4.29 4.67 2dy7A1 GLU 228 HB2 0.29 0.02 0.03 -0.04 2.09 2.39 2dy7A1 GLU 228 HB3 0.24 -0.09 0.05 -0.04 1.99 2.15 2dy7A1 GLU 228 HG2 0.34 -0.08 -0.26 -0.04 2.34 2.30 2dy7A1 GLU 228 HG3 0.45 0.05 -0.08 -0.04 2.34 2.72 2dy7A1 THR 229 H 0.17 0.19 0.18 -0.55 8.28 8.27 2dy7A1 THR 229 HA 0.35 0.22 0.89 -0.75 4.39 5.10 2dy7A1 THR 229 HB 0.24 0.07 0.10 -0.04 4.32 4.69 2dy7A1 THR 229 HG23 0.19 0.11 -0.26 -0.04 1.22 1.22 2dy7A1 TYR 230 H 0.46 0.38 0.13 -0.55 8.29 8.71 2dy7A1 TYR 230 HA 0.05 -0.03 0.23 -0.75 4.56 4.06 2dy7A1 TYR 230 HB2 0.14 0.12 0.17 -0.04 3.06 3.44 2dy7A1 TYR 230 HB3 0.06 0.09 0.01 -0.04 2.98 3.10 2dy7A1 TYR 230 HD2 0.13 0.04 0.00 -0.04 7.15 7.28 2dy7A1 TYR 230 HE2 -0.42 0.01 -0.08 -0.04 6.85 6.32 2dy7A1 GLU 231 H 0.23 0.09 -0.48 -0.55 8.60 7.90 2dy7A1 GLU 231 HA 0.12 0.11 0.37 -0.75 4.29 4.14 2dy7A1 GLU 231 HB2 0.14 -0.06 0.05 -0.04 2.09 2.18 2dy7A1 GLU 231 HB3 0.10 0.04 -0.05 -0.04 1.99 2.04 2dy7A1 GLU 231 HG2 0.09 0.01 0.07 -0.04 2.34 2.48 2dy7A1 GLU 231 HG3 0.09 0.05 0.03 -0.04 2.34 2.47 2dy7A1 SER 232 H 0.13 0.74 -0.38 -0.55 8.46 8.40 2dy7A1 SER 232 HA 0.08 0.25 0.88 -0.75 4.49 4.94 2dy7A1 SER 232 HB2 0.09 -0.00 -0.10 -0.04 3.95 3.90 2dy7A1 SER 232 HB3 0.12 -0.19 0.09 -0.04 3.93 3.91 2dy7A1 ILE 233 H 0.09 0.47 0.11 -0.55 8.25 8.38 2dy7A1 ILE 233 HA 0.20 0.26 0.77 -0.75 4.18 4.66 2dy7A1 ILE 233 HB 0.28 0.07 -0.04 -0.04 1.89 2.16 2dy7A1 ILE 233 HG12 -0.34 0.01 -0.39 -0.04 1.49 0.73 2dy7A1 ILE 233 HG13 -0.18 -0.17 0.04 -0.04 1.21 0.86 2dy7A1 ILE 233 HG23 0.07 -0.04 -0.39 -0.04 0.93 0.54 2dy7A1 ILE 233 HD13 -0.38 0.02 -0.22 -0.04 0.88 0.26 2dy7A1 GLY 234 H 0.09 0.43 -0.16 -0.55 8.43 8.24 2dy7A1 GLY 234 HA2 0.06 -0.09 0.62 -0.51 4.01 4.10 2dy7A1 GLY 234 HA3 0.16 0.19 0.44 -0.51 4.01 4.29 2dy7A1 GLN 235 H 0.06 0.19 -0.67 -0.55 8.47 7.51 2dy7A1 GLN 235 HA 0.05 0.06 0.35 -0.75 4.36 4.07 2dy7A1 GLN 235 HB2 0.07 0.02 0.14 -0.04 2.15 2.34 2dy7A1 GLN 235 HB3 0.07 0.28 -0.31 -0.04 2.02 2.02 2dy7A1 GLN 235 HG2 0.10 -0.09 -0.40 -0.04 2.40 1.97 2dy7A1 GLN 235 HG3 0.10 0.02 -0.05 -0.04 2.39 2.42 2dy7A1 GLN 235 HE21 0.06 -0.01 -0.06 -0.04 6.97 6.92 2dy7A1 GLN 235 HE22 0.05 0.03 -0.05 -0.04 7.69 7.69 2dy7A1 VAL 236 H 0.05 -0.10 0.10 -0.55 8.24 7.73 2dy7A1 VAL 236 HA 0.17 0.30 0.51 -0.75 4.13 4.36 2dy7A1 VAL 236 HB 0.29 0.03 0.16 -0.04 2.12 2.57 2dy7A1 VAL 236 HG13 0.23 0.02 -0.23 -0.04 0.97 0.96 2dy7A1 VAL 236 HG23 0.20 -0.04 -0.05 -0.04 0.95 1.02 2dy7A1 ARG 237 H -0.01 0.17 0.07 -0.55 8.46 8.14 2dy7A1 ARG 237 HA -0.04 0.06 0.35 -0.75 4.34 3.96 2dy7A1 ARG 237 HB2 -0.01 0.19 -0.52 -0.04 1.90 1.52 2dy7A1 ARG 237 HB3 0.00 -0.07 0.33 -0.04 1.80 2.02 2dy7A1 ARG 237 HG2 -0.03 -0.12 0.19 -0.04 1.67 1.67 2dy7A1 ARG 237 HG3 -0.03 0.11 0.04 -0.04 1.67 1.74 2dy7A1 ARG 237 HD2 0.06 0.02 0.05 -0.04 3.22 3.31 2dy7A1 ARG 237 HD3 0.00 -0.00 0.11 -0.04 3.22 3.29 2dy7A1 GLY 238 H -0.03 -0.02 -0.71 -0.55 8.43 7.12 2dy7A1 GLY 238 HA2 -0.22 0.10 0.42 -0.51 4.01 3.80 2dy7A1 GLY 238 HA3 -0.20 0.18 0.29 -0.51 4.01 3.77 2dy7A1 LEU 239 H -0.08 0.15 0.01 -0.55 8.37 7.89 2dy7A1 LEU 239 HA -0.05 0.05 0.24 -0.75 4.35 3.84 2dy7A1 LEU 239 HB2 0.02 -0.02 -0.03 -0.04 1.64 1.57 2dy7A1 LEU 239 HB3 0.13 0.09 -0.00 -0.04 1.64 1.81 2dy7A1 LEU 239 HG -0.02 0.00 0.09 -0.04 1.64 1.68 2dy7A1 LEU 239 HD13 0.04 0.06 -0.12 -0.04 0.93 0.86 2dy7A1 LEU 239 HD23 0.30 0.04 0.03 -0.04 0.89 1.22 2dy7A1 LYS 240 H -0.05 0.01 -0.85 -0.55 8.42 6.98 2dy7A1 LYS 240 HA -0.02 0.07 0.41 -0.75 4.32 4.02 2dy7A1 LYS 240 HB2 -0.03 -0.09 0.08 -0.04 1.87 1.78 2dy7A1 LYS 240 HB3 -0.05 0.14 0.19 -0.04 1.79 2.04 2dy7A1 LYS 240 HG2 -0.02 -0.02 0.04 -0.04 1.46 1.42 2dy7A1 LYS 240 HG3 -0.03 0.02 0.02 -0.04 1.46 1.43 2dy7A1 LYS 240 HD2 -0.03 -0.01 -0.31 -0.04 1.69 1.30 2dy7A1 LYS 240 HD3 -0.02 0.02 -0.04 -0.04 1.68 1.59 2dy7A1 LYS 240 HE2 -0.03 -0.01 0.07 -0.04 2.99 2.98 2dy7A1 LYS 240 HE3 -0.04 0.02 0.00 -0.04 2.99 2.94 2dy7A1 ARG 241 H -0.09 0.42 0.12 -0.55 8.46 8.36 2dy7A1 ARG 241 HA -0.04 0.08 0.45 -0.75 4.34 4.07 2dy7A1 ARG 241 HB2 -0.15 0.04 0.15 -0.04 1.90 1.91 2dy7A1 ARG 241 HB3 -0.14 -0.08 -0.10 -0.04 1.80 1.45 2dy7A1 ARG 241 HG2 -0.05 -0.01 0.04 -0.04 1.67 1.61 2dy7A1 ARG 241 HG3 -0.06 -0.01 0.06 -0.04 1.67 1.62 2dy7A1 ARG 241 HD2 -0.13 -0.00 -0.29 -0.04 3.22 2.75 2dy7A1 ARG 241 HD3 -0.08 0.06 -0.06 -0.04 3.22 3.09 2dy7A1 LEU 242 H -0.16 1.11 -0.16 -0.55 8.37 8.61 2dy7A1 LEU 242 HA -0.22 0.04 0.34 -0.75 4.35 3.75 2dy7A1 LEU 242 HB2 -0.40 0.03 -0.35 -0.04 1.64 0.88 2dy7A1 LEU 242 HB3 -0.32 -0.00 -0.18 -0.04 1.64 1.10 2dy7A1 LEU 242 HG -1.26 -0.07 -0.22 -0.04 1.64 0.06 2dy7A1 LEU 242 HD13 -0.92 0.01 -0.15 -0.04 0.93 -0.16 2dy7A1 LEU 242 HD23 -0.59 0.00 -0.16 -0.04 0.89 0.10 2dy7A1 ASP 243 H -0.03 0.56 -0.37 -0.55 8.40 8.01 2dy7A1 ASP 243 HA 0.04 -0.05 0.43 -0.75 4.63 4.30 2dy7A1 ASP 243 HB2 -0.00 0.23 0.38 -0.04 2.71 3.28 2dy7A1 ASP 243 HB3 -0.00 -0.07 0.02 -0.04 2.70 2.61 2dy7A1 ASN 244 H 0.00 0.55 -0.12 -0.55 8.53 8.42 2dy7A1 ASN 244 HA -0.02 0.02 0.39 -0.75 4.76 4.40 2dy7A1 ASN 244 HB2 -0.01 -0.01 0.11 -0.04 2.88 2.93 2dy7A1 ASN 244 HB3 0.01 0.10 0.14 -0.04 2.79 3.00 2dy7A1 ASN 244 HD21 -0.03 0.01 0.02 -0.04 7.03 6.99 2dy7A1 ASN 244 HD22 -0.02 -0.02 0.03 -0.04 7.74 7.69 2dy7A1 TYR 245 H 0.13 0.19 -0.80 -0.55 8.29 7.26 2dy7A1 TYR 245 HA 0.26 0.13 0.53 -0.75 4.56 4.73 2dy7A1 TYR 245 HB2 0.03 0.02 0.08 -0.04 3.06 3.15 2dy7A1 TYR 245 HB3 -0.06 0.06 0.20 -0.04 2.98 3.14 2dy7A1 TYR 245 HD2 0.05 0.02 -0.13 -0.04 7.15 7.05 2dy7A1 TYR 245 HE2 -0.35 0.05 -0.22 -0.04 6.85 6.29 2dy7A1 CYS 246 H 0.15 0.70 0.03 -0.55 8.50 8.83 2dy7A1 CYS 246 HA -0.02 0.05 0.34 -0.75 4.58 4.20 2dy7A1 CYS 246 HB2 0.04 0.14 0.20 -0.04 2.97 3.31 2dy7A1 CYS 246 HB3 0.01 -0.06 -0.07 -0.04 2.97 2.81 2dy7A1 LYS 247 H -0.03 0.44 -0.46 -0.55 8.42 7.82 2dy7A1 LYS 247 HA -0.07 -0.02 0.44 -0.75 4.32 3.92 2dy7A1 LYS 247 HB2 -0.06 -0.09 -0.02 -0.04 1.87 1.66 2dy7A1 LYS 247 HB3 -0.04 0.09 0.04 -0.04 1.79 1.84 2dy7A1 LYS 247 HG2 -0.05 0.03 0.10 -0.04 1.46 1.50 2dy7A1 LYS 247 HG3 -0.10 0.10 -0.37 -0.04 1.46 1.04 2dy7A1 LYS 247 HD2 -0.05 -0.07 -0.06 -0.04 1.69 1.48 2dy7A1 LYS 247 HD3 -0.03 -0.06 -0.05 -0.04 1.68 1.50 2dy7A1 LYS 247 HE2 -0.07 0.10 -0.01 -0.04 2.99 2.97 2dy7A1 LYS 247 HE3 -0.06 -0.03 -0.05 -0.04 2.99 2.82 2dy7A1 GLN 248 H -0.17 0.22 -0.40 -0.55 8.47 7.57 2dy7A1 GLN 248 HA -0.33 0.11 0.65 -0.75 4.36 4.03 2dy7A1 GLN 248 HB2 -0.24 0.24 0.23 -0.04 2.15 2.34 2dy7A1 GLN 248 HB3 -0.78 -0.02 0.11 -0.04 2.02 1.29 2dy7A1 GLN 248 HG2 -0.39 -0.05 0.08 -0.04 2.40 2.00 2dy7A1 GLN 248 HG3 -0.52 0.01 0.19 -0.04 2.39 2.03 2dy7A1 GLN 248 HE21 -0.13 -0.02 0.04 -0.04 6.97 6.81 2dy7A1 GLN 248 HE22 -0.10 -0.04 0.02 -0.04 7.69 7.53 2dy7A1 PHE 249 H -0.21 -0.13 -0.56 -0.55 8.34 6.88 2dy7A1 PHE 249 HA -0.13 0.14 0.77 -0.75 4.62 4.64 2dy7A1 PHE 249 HB2 -0.90 0.16 -0.03 -0.04 3.15 2.34 2dy7A1 PHE 249 HB3 -0.25 -0.11 -0.01 -0.04 3.06 2.65 2dy7A1 PHE 249 HD2 -0.62 -0.03 0.06 -0.04 7.28 6.65 2dy7A1 PHE 249 HE2 0.03 -0.06 0.02 -0.04 7.38 7.32 2dy7A1 PHE 249 HZ 0.02 -0.06 0.01 -0.04 7.32 7.25 2dy7A1 ILE 250 H -0.09 0.24 0.09 -0.55 8.25 7.95 2dy7A1 ILE 250 HA -0.01 0.16 0.98 -0.75 4.18 4.56 2dy7A1 ILE 250 HB -0.08 -0.05 0.18 -0.04 1.89 1.90 2dy7A1 ILE 250 HG12 -0.30 -0.10 -0.05 -0.04 1.49 0.99 2dy7A1 ILE 250 HG13 -0.10 0.17 -0.22 -0.04 1.21 1.02 2dy7A1 ILE 250 HG23 -0.08 -0.02 -0.24 -0.04 0.93 0.54 2dy7A1 ILE 250 HD13 -0.64 -0.04 -0.16 -0.04 0.88 -0.00 2dy7A1 ILE 251 H -0.08 0.06 0.24 -0.55 8.25 7.92 2dy7A1 ILE 251 HA -0.04 0.32 0.87 -0.75 4.18 4.57 2dy7A1 ILE 251 HB -0.05 -0.12 0.03 -0.04 1.89 1.71 2dy7A1 ILE 251 HG12 -0.04 0.41 -0.76 -0.04 1.49 1.06 2dy7A1 ILE 251 HG13 -0.05 0.15 -0.64 -0.04 1.21 0.63 2dy7A1 ILE 251 HG23 -0.03 -0.06 0.22 -0.04 0.93 1.02 2dy7A1 ILE 251 HD13 -0.03 -0.09 -0.33 -0.04 0.88 0.39 2dy7A1 GLU 252 H -0.04 0.05 0.12 -0.55 8.60 8.18 2dy7A1 GLU 252 HA -0.07 0.24 0.39 -0.75 4.29 4.09 2dy7A1 GLU 252 HB2 -0.05 -0.04 0.06 -0.04 2.09 2.02 2dy7A1 GLU 252 HB3 -0.06 0.26 -0.15 -0.04 1.99 2.00 2dy7A1 GLU 252 HG2 -0.03 0.03 -0.29 -0.04 2.34 2.01 2dy7A1 GLU 252 HG3 -0.03 -0.05 0.02 -0.04 2.34 2.23