============================================================================= 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 13.526 1.412 -7.888 -99.200 -91.000 HIS 6 0.900 11.034 4.589 0.085 -99.200 -91.000 HIS 14 0.900 -7.756 -7.482 2.343 -99.200 -91.000 TYR 40 0.840 -12.184 -3.972 2.821 -99.200 -91.000 PHE 42 1.000 -6.082 -3.387 0.137 -99.200 -91.000 TRP 46 1.040 5.397 -0.128 2.261 -99.200 -91.000 TRP6 46 1.020 4.659 0.971 0.260 -99.200 -91.000 HIS 51 0.900 12.645 3.341 13.156 -99.200 -91.000 HIS 53 0.900 12.280 -4.660 7.473 -99.200 -91.000 TRP 56 1.040 -1.509 -2.914 8.593 -99.200 -91.000 TRP6 56 1.020 -3.292 -4.257 7.724 -99.200 -91.000 TYR 59 0.840 -5.736 -0.335 -4.389 -99.200 -91.000 TYR 74 0.840 -3.738 -8.635 -0.239 -99.200 -91.000 PHE 78 1.000 -4.142 -13.083 -0.022 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dy7A15 GLN 172 HA -0.09 -0.05 0.23 -0.75 4.36 3.70 2dy7A15 GLN 172 HB2 -0.06 -0.04 0.12 -0.04 2.15 2.14 2dy7A15 GLN 172 HB3 -0.12 0.09 0.13 -0.04 2.02 2.08 2dy7A15 GLN 172 HG2 -0.07 -0.01 0.08 -0.04 2.40 2.35 2dy7A15 GLN 172 HG3 -0.03 -0.03 0.06 -0.04 2.39 2.35 2dy7A15 GLN 172 HE21 -0.00 -0.02 0.03 -0.04 6.97 6.94 2dy7A15 GLN 172 HE22 0.04 -0.02 0.03 -0.04 7.69 7.70 2dy7A15 PRO 173 HA -0.05 0.09 0.43 -0.51 4.44 4.40 2dy7A15 PRO 173 HB2 -0.04 -0.02 0.06 -0.04 2.28 2.24 2dy7A15 PRO 173 HB3 -0.04 0.01 0.11 -0.04 2.02 2.06 2dy7A15 PRO 173 HG2 -0.05 -0.00 -0.00 -0.04 2.03 1.93 2dy7A15 PRO 173 HG3 -0.04 0.02 0.06 -0.04 2.03 2.03 2dy7A15 PRO 173 HD2 -0.07 0.05 0.18 -0.04 3.68 3.80 2dy7A15 PRO 173 HD3 -0.05 0.21 0.15 -0.04 3.65 3.92 2dy7A15 GLU 174 H -0.13 0.13 -0.49 -0.55 8.60 7.55 2dy7A15 GLU 174 HA -0.11 0.14 0.85 -0.75 4.29 4.42 2dy7A15 GLU 174 HB2 -0.13 -0.04 -0.08 -0.04 2.09 1.80 2dy7A15 GLU 174 HB3 -0.09 0.01 -0.18 -0.04 1.99 1.69 2dy7A15 GLU 174 HG2 -0.25 0.05 0.05 -0.04 2.34 2.14 2dy7A15 GLU 174 HG3 -0.22 -0.01 -0.17 -0.04 2.34 1.90 2dy7A15 ASP 175 H -0.15 0.09 0.07 -0.55 8.40 7.87 2dy7A15 ASP 175 HA -0.17 0.13 0.46 -0.75 4.63 4.30 2dy7A15 ASP 175 HB2 -0.14 -0.01 0.27 -0.04 2.71 2.78 2dy7A15 ASP 175 HB3 -0.05 -0.01 0.16 -0.04 2.70 2.75 2dy7A15 PHE 176 H -0.13 0.21 0.18 -0.55 8.34 8.04 2dy7A15 PHE 176 HA -0.02 0.11 0.32 -0.75 4.62 4.28 2dy7A15 PHE 176 HB2 -0.03 -0.06 -0.45 -0.04 3.15 2.57 2dy7A15 PHE 176 HB3 0.02 -0.16 0.04 -0.04 3.06 2.92 2dy7A15 PHE 176 HD2 0.01 -0.12 0.01 -0.04 7.28 7.15 2dy7A15 PHE 176 HE2 0.01 -0.04 0.02 -0.04 7.38 7.33 2dy7A15 PHE 176 HZ 0.01 -0.03 0.03 -0.04 7.32 7.28 2dy7A15 HIS 177 H 0.39 0.08 0.10 -0.55 8.41 8.44 2dy7A15 HIS 177 HA 0.18 0.08 0.38 -0.75 4.63 4.51 2dy7A15 HIS 177 HB2 0.10 -0.08 -0.46 -0.04 3.26 2.77 2dy7A15 HIS 177 HB3 0.02 -0.00 0.17 -0.04 3.20 3.35 2dy7A15 HIS 177 HD2 0.05 -0.06 0.07 -0.04 6.97 6.98 2dy7A15 HIS 177 HE1 -0.04 -0.02 0.02 -0.04 7.75 7.67 2dy7A15 GLY 178 H 0.20 -0.00 0.09 -0.55 8.43 8.17 2dy7A15 GLY 178 HA2 0.27 0.17 0.72 -0.51 4.01 4.66 2dy7A15 GLY 178 HA3 0.06 0.03 0.37 -0.51 4.01 3.96 2dy7A15 ILE 179 H -0.06 0.25 0.12 -0.55 8.25 8.01 2dy7A15 ILE 179 HA -0.78 0.10 0.52 -0.75 4.18 3.27 2dy7A15 ILE 179 HB -0.28 -0.09 -0.02 -0.04 1.89 1.46 2dy7A15 ILE 179 HG12 -0.77 0.03 -0.18 -0.04 1.49 0.53 2dy7A15 ILE 179 HG13 -1.17 0.04 -0.09 -0.04 1.21 -0.05 2dy7A15 ILE 179 HG23 -0.25 0.02 -0.20 -0.04 0.93 0.46 2dy7A15 ILE 179 HD13 -0.43 -0.01 -0.08 -0.04 0.88 0.32 2dy7A15 ASP 180 H -0.37 0.30 0.14 -0.55 8.40 7.92 2dy7A15 ASP 180 HA -0.12 0.06 0.65 -0.75 4.63 4.46 2dy7A15 ASP 180 HB2 -0.07 -0.09 0.08 -0.04 2.71 2.59 2dy7A15 ASP 180 HB3 -0.13 0.19 0.22 -0.04 2.70 2.94 2dy7A15 ILE 181 H -0.33 0.34 0.21 -0.55 8.25 7.92 2dy7A15 ILE 181 HA -0.18 0.11 0.57 -0.75 4.18 3.92 2dy7A15 ILE 181 HB -0.16 -0.02 -0.02 -0.04 1.89 1.65 2dy7A15 ILE 181 HG12 -0.09 0.04 0.13 -0.04 1.49 1.54 2dy7A15 ILE 181 HG13 -0.10 0.02 -0.59 -0.04 1.21 0.50 2dy7A15 ILE 181 HG23 -0.13 -0.02 -0.28 -0.04 0.93 0.46 2dy7A15 ILE 181 HD13 -0.05 -0.02 -0.05 -0.04 0.88 0.72 2dy7A15 VAL 182 H -0.27 0.23 0.02 -0.55 8.24 7.67 2dy7A15 VAL 182 HA -0.57 0.15 0.76 -0.75 4.13 3.72 2dy7A15 VAL 182 HB -0.83 0.05 0.15 -0.04 2.12 1.45 2dy7A15 VAL 182 HG13 -1.40 0.00 -0.12 -0.04 0.97 -0.59 2dy7A15 VAL 182 HG23 -0.36 0.01 -0.26 -0.04 0.95 0.30 2dy7A15 ILE 183 H -0.43 0.28 0.25 -0.55 8.25 7.80 2dy7A15 ILE 183 HA -0.20 0.03 0.33 -0.75 4.18 3.59 2dy7A15 ILE 183 HB -0.38 -0.07 0.07 -0.04 1.89 1.47 2dy7A15 ILE 183 HG12 -0.27 0.03 0.07 -0.04 1.49 1.28 2dy7A15 ILE 183 HG13 -0.16 -0.06 -0.06 -0.04 1.21 0.89 2dy7A15 ILE 183 HG23 -0.08 -0.00 -0.07 -0.04 0.93 0.73 2dy7A15 ILE 183 HD13 -0.10 0.01 -0.03 -0.04 0.88 0.72 2dy7A15 ASN 184 H -0.58 0.22 -0.03 -0.55 8.53 7.60 2dy7A15 ASN 184 HA 0.01 0.18 0.38 -0.75 4.76 4.57 2dy7A15 ASN 184 HB2 -0.08 -0.13 -0.36 -0.04 2.88 2.27 2dy7A15 ASN 184 HB3 0.18 -0.04 0.10 -0.04 2.79 2.99 2dy7A15 ASN 184 HD21 0.05 -0.07 0.18 -0.04 7.03 7.15 2dy7A15 ASN 184 HD22 0.05 -0.02 0.12 -0.04 7.74 7.85 2dy7A15 HIS 185 H 0.09 0.33 0.19 -0.55 8.41 8.47 2dy7A15 HIS 185 HA 0.04 -0.07 0.45 -0.75 4.63 4.29 2dy7A15 HIS 185 HB2 -1.39 0.30 0.28 -0.04 3.26 2.41 2dy7A15 HIS 185 HB3 -0.10 0.03 -0.49 -0.04 3.20 2.59 2dy7A15 HIS 185 HD2 -0.18 -0.06 -0.18 -0.04 6.97 6.50 2dy7A15 HIS 185 HE1 -0.00 0.17 -0.14 -0.04 7.75 7.73 2dy7A15 ARG 186 H 0.19 0.60 0.22 -0.55 8.46 8.92 2dy7A15 ARG 186 HA 0.24 0.03 0.36 -0.75 4.34 4.21 2dy7A15 ARG 186 HB2 -0.08 -0.06 0.09 -0.04 1.90 1.82 2dy7A15 ARG 186 HB3 -0.04 0.24 0.38 -0.04 1.80 2.33 2dy7A15 ARG 186 HG2 0.25 -0.02 -0.79 -0.04 1.67 1.08 2dy7A15 ARG 186 HG3 0.10 -0.04 -0.36 -0.04 1.67 1.33 2dy7A15 ARG 186 HD2 -0.46 0.05 -0.19 -0.04 3.22 2.58 2dy7A15 ARG 186 HD3 -0.23 -0.01 -0.10 -0.04 3.22 2.84 2dy7A15 LEU 187 H -0.28 0.11 0.16 -0.55 8.37 7.81 2dy7A15 LEU 187 HA -0.71 0.22 0.45 -0.75 4.35 3.56 2dy7A15 LEU 187 HB2 -0.25 -0.01 0.20 -0.04 1.64 1.53 2dy7A15 LEU 187 HB3 -0.19 -0.02 0.01 -0.04 1.64 1.40 2dy7A15 LEU 187 HG -0.59 0.23 0.16 -0.04 1.64 1.40 2dy7A15 LEU 187 HD13 -0.15 -0.02 0.07 -0.04 0.93 0.78 2dy7A15 LEU 187 HD23 -0.13 -0.05 0.04 -0.04 0.89 0.70 2dy7A15 LYS 188 H -0.10 0.11 -0.07 -0.55 8.42 7.81 2dy7A15 LYS 188 HA 0.05 0.15 0.32 -0.75 4.32 4.09 2dy7A15 LYS 188 HB2 0.07 -0.04 0.06 -0.04 1.87 1.93 2dy7A15 LYS 188 HB3 0.10 0.01 -0.13 -0.04 1.79 1.74 2dy7A15 LYS 188 HG2 -0.03 -0.12 -0.15 -0.04 1.46 1.12 2dy7A15 LYS 188 HG3 0.02 0.02 -0.14 -0.04 1.46 1.32 2dy7A15 LYS 188 HD2 0.06 -0.11 -0.12 -0.04 1.69 1.47 2dy7A15 LYS 188 HD3 0.03 0.05 -0.00 -0.04 1.68 1.72 2dy7A15 LYS 188 HE2 0.07 0.08 -0.00 -0.04 2.99 3.09 2dy7A15 LYS 188 HE3 0.08 -0.04 -0.04 -0.04 2.99 2.94 2dy7A15 THR 189 H 0.02 0.13 0.04 -0.55 8.28 7.92 2dy7A15 THR 189 HA -0.02 0.07 0.34 -0.75 4.39 4.02 2dy7A15 THR 189 HB -0.03 -0.01 -0.38 -0.04 4.32 3.85 2dy7A15 THR 189 HG23 -0.03 -0.03 -0.11 -0.04 1.22 1.00 2dy7A15 SER 190 H -0.06 -0.12 0.28 -0.55 8.46 8.02 2dy7A15 SER 190 HA -0.12 0.15 0.25 -0.75 4.49 4.01 2dy7A15 SER 190 HB2 -0.07 -0.11 -0.58 -0.04 3.95 3.15 2dy7A15 SER 190 HB3 -0.08 -0.03 0.17 -0.04 3.93 3.95 2dy7A15 LEU 191 H -0.08 0.27 0.15 -0.55 8.37 8.17 2dy7A15 LEU 191 HA -0.07 -0.03 0.38 -0.75 4.35 3.88 2dy7A15 LEU 191 HB2 -0.08 -0.02 -0.36 -0.04 1.64 1.14 2dy7A15 LEU 191 HB3 -0.06 0.28 0.26 -0.04 1.64 2.08 2dy7A15 LEU 191 HG -0.04 -0.13 0.22 -0.04 1.64 1.64 2dy7A15 LEU 191 HD13 -0.05 -0.00 0.03 -0.04 0.93 0.87 2dy7A15 LEU 191 HD23 -0.04 0.02 0.03 -0.04 0.89 0.86 2dy7A15 GLU 192 H -0.05 -0.01 -0.70 -0.55 8.60 7.30 2dy7A15 GLU 192 HA -0.03 0.19 0.55 -0.75 4.29 4.25 2dy7A15 GLU 192 HB2 -0.04 0.06 -0.06 -0.04 2.09 2.01 2dy7A15 GLU 192 HB3 -0.03 -0.01 0.06 -0.04 1.99 1.98 2dy7A15 GLU 192 HG2 -0.02 -0.01 0.10 -0.04 2.34 2.36 2dy7A15 GLU 192 HG3 -0.03 0.06 0.00 -0.04 2.34 2.33 2dy7A15 GLU 193 H -0.03 0.12 -0.87 -0.55 8.60 7.27 2dy7A15 GLU 193 HA -0.01 0.27 0.73 -0.75 4.29 4.53 2dy7A15 GLU 193 HB2 -0.03 -0.10 0.01 -0.04 2.09 1.92 2dy7A15 GLU 193 HB3 -0.01 0.05 0.17 -0.04 1.99 2.15 2dy7A15 GLU 193 HG2 -0.02 -0.03 -0.26 -0.04 2.34 1.99 2dy7A15 GLU 193 HG3 -0.02 -0.01 -0.07 -0.04 2.34 2.20 2dy7A15 GLY 194 H -0.02 0.19 -0.43 -0.55 8.43 7.63 2dy7A15 GLY 194 HA2 -0.01 0.05 0.28 -0.51 4.01 3.81 2dy7A15 GLY 194 HA3 -0.01 0.13 0.45 -0.51 4.01 4.08 2dy7A15 LYS 195 H -0.02 -0.15 -0.70 -0.55 8.42 7.00 2dy7A15 LYS 195 HA -0.02 -0.14 0.33 -0.75 4.32 3.74 2dy7A15 LYS 195 HB2 -0.02 -0.04 -0.31 -0.04 1.87 1.45 2dy7A15 LYS 195 HB3 -0.01 0.13 0.19 -0.04 1.79 2.07 2dy7A15 LYS 195 HG2 -0.02 -0.10 0.06 -0.04 1.46 1.36 2dy7A15 LYS 195 HG3 -0.02 0.04 0.06 -0.04 1.46 1.49 2dy7A15 LYS 195 HD2 -0.01 0.00 0.01 -0.04 1.69 1.65 2dy7A15 LYS 195 HD3 -0.01 0.06 0.01 -0.04 1.68 1.70 2dy7A15 LYS 195 HE2 -0.00 -0.00 -0.06 -0.04 2.99 2.88 2dy7A15 LYS 195 HE3 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2dy7A15 VAL 196 H -0.01 -0.12 0.05 -0.55 8.24 7.61 2dy7A15 VAL 196 HA 0.00 0.22 0.68 -0.75 4.13 4.29 2dy7A15 VAL 196 HB 0.00 -0.14 -0.00 -0.04 2.12 1.94 2dy7A15 VAL 196 HG13 0.01 0.01 -0.09 -0.04 0.97 0.86 2dy7A15 VAL 196 HG23 -0.00 0.02 -0.42 -0.04 0.95 0.51 2dy7A15 LEU 197 H 0.00 0.07 0.15 -0.55 8.37 8.05 2dy7A15 LEU 197 HA 0.03 0.11 0.36 -0.75 4.35 4.09 2dy7A15 LEU 197 HB2 0.04 0.07 0.07 -0.04 1.64 1.78 2dy7A15 LEU 197 HB3 0.02 0.02 0.14 -0.04 1.64 1.78 2dy7A15 LEU 197 HG -0.01 -0.32 0.11 -0.04 1.64 1.38 2dy7A15 LEU 197 HD13 -0.03 0.00 -0.06 -0.04 0.93 0.80 2dy7A15 LEU 197 HD23 -0.01 0.01 0.06 -0.04 0.89 0.91 2dy7A15 GLU 198 H 0.00 -0.24 -0.57 -0.55 8.60 7.24 2dy7A15 GLU 198 HA 0.04 -0.07 0.33 -0.75 4.29 3.83 2dy7A15 GLU 198 HB2 -0.01 -0.10 0.06 -0.04 2.09 2.00 2dy7A15 GLU 198 HB3 0.01 0.10 -0.05 -0.04 1.99 2.00 2dy7A15 GLU 198 HG2 0.01 0.03 -0.05 -0.04 2.34 2.29 2dy7A15 GLU 198 HG3 0.03 0.07 -0.25 -0.04 2.34 2.15 2dy7A15 LYS 199 H 0.10 -0.11 0.22 -0.55 8.42 8.07 2dy7A15 LYS 199 HA 0.04 -0.01 0.34 -0.75 4.32 3.94 2dy7A15 LYS 199 HB2 0.06 0.24 -0.58 -0.04 1.87 1.54 2dy7A15 LYS 199 HB3 0.05 -0.07 0.23 -0.04 1.79 1.96 2dy7A15 LYS 199 HG2 0.03 -0.10 0.24 -0.04 1.46 1.59 2dy7A15 LYS 199 HG3 0.03 0.09 0.14 -0.04 1.46 1.68 2dy7A15 LYS 199 HD2 0.03 -0.04 0.12 -0.04 1.69 1.76 2dy7A15 LYS 199 HD3 0.02 -0.05 0.07 -0.04 1.68 1.68 2dy7A15 LYS 199 HE2 0.03 0.05 0.04 -0.04 2.99 3.07 2dy7A15 LYS 199 HE3 0.03 -0.04 0.05 -0.04 2.99 2.99 2dy7A15 THR 200 H 0.10 -0.11 0.18 -0.55 8.28 7.90 2dy7A15 THR 200 HA 0.10 -0.01 0.40 -0.75 4.39 4.12 2dy7A15 THR 200 HB 0.04 0.16 0.11 -0.04 4.32 4.59 2dy7A15 THR 200 HG23 0.04 -0.01 0.03 -0.04 1.22 1.23 2dy7A15 VAL 201 H 0.04 0.18 0.11 -0.55 8.24 8.01 2dy7A15 VAL 201 HA 0.00 0.14 0.89 -0.75 4.13 4.41 2dy7A15 VAL 201 HB -0.18 -0.01 -0.04 -0.04 2.12 1.85 2dy7A15 VAL 201 HG13 -0.58 -0.04 -0.28 -0.04 0.97 0.02 2dy7A15 VAL 201 HG23 -0.01 0.03 0.19 -0.04 0.95 1.11 2dy7A15 PRO 202 HA -0.01 0.22 0.64 -0.51 4.44 4.78 2dy7A15 PRO 202 HB2 0.00 -0.03 0.01 -0.04 2.28 2.22 2dy7A15 PRO 202 HB3 0.01 0.07 0.06 -0.04 2.02 2.12 2dy7A15 PRO 202 HG2 0.01 -0.12 0.15 -0.04 2.03 2.03 2dy7A15 PRO 202 HG3 0.02 0.14 0.07 -0.04 2.03 2.23 2dy7A15 PRO 202 HD2 0.02 -0.07 0.26 -0.04 3.68 3.85 2dy7A15 PRO 202 HD3 0.03 0.52 0.05 -0.04 3.65 4.22 2dy7A15 ASP 203 H -0.00 0.09 0.12 -0.55 8.40 8.07 2dy7A15 ASP 203 HA -0.02 0.28 0.85 -0.75 4.63 4.98 2dy7A15 ASP 203 HB2 -0.01 -0.08 0.12 -0.04 2.71 2.70 2dy7A15 ASP 203 HB3 -0.01 0.13 -0.02 -0.04 2.70 2.77 2dy7A15 LEU 204 H -0.02 0.22 0.10 -0.55 8.37 8.12 2dy7A15 LEU 204 HA 0.01 0.11 0.31 -0.75 4.35 4.02 2dy7A15 LEU 204 HB2 -0.03 0.07 0.09 -0.04 1.64 1.74 2dy7A15 LEU 204 HB3 -0.06 0.02 0.03 -0.04 1.64 1.58 2dy7A15 LEU 204 HG -0.22 -0.03 -0.03 -0.04 1.64 1.33 2dy7A15 LEU 204 HD13 0.08 -0.02 0.04 -0.04 0.93 0.99 2dy7A15 LEU 204 HD23 -0.06 0.02 -0.01 -0.04 0.89 0.79 2dy7A15 ASN 205 H -0.01 0.02 -0.51 -0.55 8.53 7.47 2dy7A15 ASN 205 HA -0.02 0.09 0.32 -0.75 4.76 4.39 2dy7A15 ASN 205 HB2 0.01 -0.08 0.07 -0.04 2.88 2.84 2dy7A15 ASN 205 HB3 0.01 0.10 -0.05 -0.04 2.79 2.82 2dy7A15 ASN 205 HD21 -0.00 0.04 -0.00 -0.04 7.03 7.02 2dy7A15 ASN 205 HD22 -0.01 0.04 -0.01 -0.04 7.74 7.71 2dy7A15 ASN 206 H 0.03 0.09 -0.08 -0.55 8.53 8.02 2dy7A15 ASN 206 HA 0.11 0.06 0.28 -0.75 4.76 4.46 2dy7A15 ASN 206 HB2 0.05 -0.10 0.18 -0.04 2.88 2.96 2dy7A15 ASN 206 HB3 0.05 0.03 0.01 -0.04 2.79 2.84 2dy7A15 ASN 206 HD21 0.37 -0.07 -0.20 -0.04 7.03 7.08 2dy7A15 ASN 206 HD22 0.22 0.07 -0.06 -0.04 7.74 7.93 2dy7A15 CYS 207 H 0.06 0.14 -0.75 -0.55 8.50 7.40 2dy7A15 CYS 207 HA 0.32 0.09 0.28 -0.75 4.58 4.52 2dy7A15 CYS 207 HB2 0.11 0.03 0.05 -0.04 2.97 3.13 2dy7A15 CYS 207 HB3 0.53 -0.01 -0.07 -0.04 2.97 3.38 2dy7A15 LYS 208 H 0.11 0.55 0.12 -0.55 8.42 8.65 2dy7A15 LYS 208 HA 0.31 -0.12 0.34 -0.75 4.32 4.11 2dy7A15 LYS 208 HB2 -0.37 -0.09 0.08 -0.04 1.87 1.46 2dy7A15 LYS 208 HB3 -0.43 0.00 0.15 -0.04 1.79 1.47 2dy7A15 LYS 208 HG2 -0.08 0.10 0.11 -0.04 1.46 1.55 2dy7A15 LYS 208 HG3 -0.00 0.16 -0.19 -0.04 1.46 1.38 2dy7A15 LYS 208 HD2 -0.06 -0.02 -0.09 -0.04 1.69 1.48 2dy7A15 LYS 208 HD3 -0.13 -0.02 -0.10 -0.04 1.68 1.39 2dy7A15 LYS 208 HE2 -0.33 -0.03 -0.06 -0.04 2.99 2.52 2dy7A15 LYS 208 HE3 -0.16 -0.06 -0.19 -0.04 2.99 2.54 2dy7A15 GLU 209 H 0.15 0.37 -0.97 -0.55 8.60 7.60 2dy7A15 GLU 209 HA 0.09 0.05 0.66 -0.75 4.29 4.33 2dy7A15 GLU 209 HB2 0.07 -0.07 0.00 -0.04 2.09 2.05 2dy7A15 GLU 209 HB3 0.06 -0.03 -0.07 -0.04 1.99 1.91 2dy7A15 GLU 209 HG2 0.14 0.12 -0.01 -0.04 2.34 2.54 2dy7A15 GLU 209 HG3 0.14 0.06 -0.21 -0.04 2.34 2.29 2dy7A15 ASN 210 H 0.28 0.47 -0.06 -0.55 8.53 8.66 2dy7A15 ASN 210 HA 0.11 0.03 0.66 -0.75 4.76 4.80 2dy7A15 ASN 210 HB2 0.14 0.14 0.10 -0.04 2.88 3.21 2dy7A15 ASN 210 HB3 0.01 -0.17 0.19 -0.04 2.79 2.78 2dy7A15 ASN 210 HD21 0.02 -0.14 0.06 -0.04 7.03 6.93 2dy7A15 ASN 210 HD22 0.04 0.00 0.02 -0.04 7.74 7.76 2dy7A15 TYR 211 H 0.32 0.25 0.03 -0.55 8.29 8.35 2dy7A15 TYR 211 HA 0.12 -0.04 0.54 -0.75 4.56 4.42 2dy7A15 TYR 211 HB2 0.31 0.09 -0.07 -0.04 3.06 3.35 2dy7A15 TYR 211 HB3 0.16 0.01 -0.18 -0.04 2.98 2.93 2dy7A15 TYR 211 HD2 0.13 0.11 -0.23 -0.04 7.15 7.12 2dy7A15 TYR 211 HE2 0.06 0.01 -0.10 -0.04 6.85 6.78 2dy7A15 GLU 212 H 0.16 1.10 0.17 -0.55 8.60 9.48 2dy7A15 GLU 212 HA 0.41 0.07 0.78 -0.75 4.29 4.80 2dy7A15 GLU 212 HB2 0.19 0.20 -0.12 -0.04 2.09 2.32 2dy7A15 GLU 212 HB3 0.55 -0.03 -0.12 -0.04 1.99 2.35 2dy7A15 GLU 212 HG2 0.28 0.16 -0.18 -0.04 2.34 2.56 2dy7A15 GLU 212 HG3 0.19 -0.15 -0.11 -0.04 2.34 2.24 2dy7A15 PHE 213 H 0.37 0.72 0.21 -0.55 8.34 9.10 2dy7A15 PHE 213 HA -0.02 0.16 0.99 -0.75 4.62 4.99 2dy7A15 PHE 213 HB2 -0.19 -0.11 -0.09 -0.04 3.15 2.72 2dy7A15 PHE 213 HB3 -0.37 0.05 -0.14 -0.04 3.06 2.55 2dy7A15 PHE 213 HD2 -0.03 -0.03 -0.33 -0.04 7.28 6.85 2dy7A15 PHE 213 HE2 0.17 0.07 -0.26 -0.04 7.38 7.31 2dy7A15 PHE 213 HZ 0.06 -0.06 -0.17 -0.04 7.32 7.11 2dy7A15 LEU 214 H -1.11 0.61 0.03 -0.55 8.37 7.36 2dy7A15 LEU 214 HA -1.34 0.18 0.58 -0.75 4.35 3.01 2dy7A15 LEU 214 HB2 -2.78 0.02 -0.07 -0.04 1.64 -1.23 2dy7A15 LEU 214 HB3 -0.88 -0.28 0.19 -0.04 1.64 0.63 2dy7A15 LEU 214 HG -0.47 -0.07 -0.16 -0.04 1.64 0.90 2dy7A15 LEU 214 HD13 -0.98 -0.01 -0.33 -0.04 0.93 -0.43 2dy7A15 LEU 214 HD23 0.11 0.02 -0.14 -0.04 0.89 0.84 2dy7A15 ILE 215 H -0.31 0.72 0.57 -0.55 8.25 8.68 2dy7A15 ILE 215 HA -0.62 0.10 0.77 -0.75 4.18 3.68 2dy7A15 ILE 215 HB -0.23 -0.02 0.23 -0.04 1.89 1.82 2dy7A15 ILE 215 HG12 -0.11 0.18 0.22 -0.04 1.49 1.74 2dy7A15 ILE 215 HG13 -0.01 -0.10 -0.04 -0.04 1.21 1.02 2dy7A15 ILE 215 HG23 -1.96 -0.01 -0.15 -0.04 0.93 -1.22 2dy7A15 ILE 215 HD13 -0.40 -0.03 -0.39 -0.04 0.88 0.03 2dy7A15 LYS 216 H -0.47 0.89 0.47 -0.55 8.42 8.76 2dy7A15 LYS 216 HA -0.11 -0.01 0.55 -0.75 4.32 3.99 2dy7A15 LYS 216 HB2 -0.18 -0.08 0.12 -0.04 1.87 1.70 2dy7A15 LYS 216 HB3 -0.24 -0.00 0.39 -0.04 1.79 1.90 2dy7A15 LYS 216 HG2 -0.09 -0.03 -0.00 -0.04 1.46 1.29 2dy7A15 LYS 216 HG3 -0.06 0.27 -0.16 -0.04 1.46 1.47 2dy7A15 LYS 216 HD2 0.03 -0.02 -0.12 -0.04 1.69 1.54 2dy7A15 LYS 216 HD3 -0.05 -0.06 -0.03 -0.04 1.68 1.50 2dy7A15 LYS 216 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 2dy7A15 LYS 216 HE3 -0.04 0.01 -0.04 -0.04 2.99 2.89 2dy7A15 TRP 217 H 0.19 0.51 0.46 -0.55 7.97 8.58 2dy7A15 TRP 217 HA -0.03 -0.05 0.56 -0.75 4.62 4.34 2dy7A15 TRP 217 HB2 0.03 0.23 0.26 -0.04 3.23 3.72 2dy7A15 TRP 217 HB3 0.05 -0.11 0.20 -0.04 3.23 3.34 2dy7A15 TRP 217 HD1 -0.03 0.08 0.16 -0.04 7.22 7.39 2dy7A15 TRP 217 HE1 -0.07 -0.16 0.04 -0.04 10.20 9.97 2dy7A15 TRP 217 HE3 0.00 0.25 -0.21 -0.04 7.59 7.60 2dy7A15 TRP 217 HZ2 -0.08 -0.11 -0.06 -0.04 7.44 7.15 2dy7A15 TRP 217 HZ3 -0.03 0.04 -0.14 -0.04 7.13 6.96 2dy7A15 TRP 217 HH2 -0.07 -0.07 -0.04 -0.04 7.19 6.97 2dy7A15 THR 218 H 0.39 0.16 0.10 -0.55 8.28 8.38 2dy7A15 THR 218 HA 0.00 0.11 0.44 -0.75 4.39 4.19 2dy7A15 THR 218 HB 0.03 0.22 -0.28 -0.04 4.32 4.25 2dy7A15 THR 218 HG23 0.13 0.03 -0.20 -0.04 1.22 1.13 2dy7A15 ASP 219 H 0.04 0.07 0.09 -0.55 8.40 8.05 2dy7A15 ASP 219 HA 0.01 0.01 0.34 -0.75 4.63 4.23 2dy7A15 ASP 219 HB2 0.07 -0.10 -0.53 -0.04 2.71 2.11 2dy7A15 ASP 219 HB3 0.05 0.11 0.03 -0.04 2.70 2.86 2dy7A15 GLU 220 H 0.00 0.10 0.11 -0.55 8.60 8.26 2dy7A15 GLU 220 HA 0.06 0.16 0.68 -0.75 4.29 4.44 2dy7A15 GLU 220 HB2 0.00 -0.03 0.25 -0.04 2.09 2.26 2dy7A15 GLU 220 HB3 0.01 0.04 0.12 -0.04 1.99 2.12 2dy7A15 GLU 220 HG2 0.02 0.07 -0.09 -0.04 2.34 2.30 2dy7A15 GLU 220 HG3 0.00 -0.07 -0.01 -0.04 2.34 2.22 2dy7A15 SER 221 H 0.15 0.33 -0.04 -0.55 8.46 8.34 2dy7A15 SER 221 HA 0.07 0.18 0.86 -0.75 4.49 4.84 2dy7A15 SER 221 HB2 0.13 0.04 -0.01 -0.04 3.95 4.07 2dy7A15 SER 221 HB3 0.10 -0.04 0.09 -0.04 3.93 4.04 2dy7A15 HIS 222 H 0.14 0.11 0.14 -0.55 8.41 8.25 2dy7A15 HIS 222 HA 0.01 0.11 0.50 -0.75 4.63 4.50 2dy7A15 HIS 222 HB2 0.00 -0.02 0.17 -0.04 3.26 3.37 2dy7A15 HIS 222 HB3 -0.00 0.01 0.03 -0.04 3.20 3.20 2dy7A15 HIS 222 HD2 -0.00 -0.00 0.02 -0.04 6.97 6.94 2dy7A15 HIS 222 HE1 -0.01 -0.00 0.02 -0.04 7.75 7.71 2dy7A15 LEU 223 H 0.13 0.06 -0.00 -0.55 8.37 8.01 2dy7A15 LEU 223 HA -0.01 0.17 0.89 -0.75 4.35 4.65 2dy7A15 LEU 223 HB2 0.06 -0.07 0.04 -0.04 1.64 1.63 2dy7A15 LEU 223 HB3 0.09 0.17 -0.06 -0.04 1.64 1.79 2dy7A15 LEU 223 HG 0.02 0.12 -0.03 -0.04 1.64 1.70 2dy7A15 LEU 223 HD13 -0.04 -0.04 -0.13 -0.04 0.93 0.68 2dy7A15 LEU 223 HD23 0.04 -0.00 0.02 -0.04 0.89 0.91 2dy7A15 HIS 224 H -0.03 0.13 0.10 -0.55 8.41 8.06 2dy7A15 HIS 224 HA 0.13 0.15 0.43 -0.75 4.63 4.59 2dy7A15 HIS 224 HB2 0.06 -0.08 0.14 -0.04 3.26 3.35 2dy7A15 HIS 224 HB3 0.07 0.05 -0.05 -0.04 3.20 3.22 2dy7A15 HIS 224 HD2 0.08 0.03 -0.38 -0.04 6.97 6.66 2dy7A15 HIS 224 HE1 0.03 -0.01 -0.02 -0.04 7.75 7.71 2dy7A15 ASN 225 H 0.17 0.04 0.06 -0.55 8.53 8.25 2dy7A15 ASN 225 HA 0.14 0.24 0.90 -0.75 4.76 5.29 2dy7A15 ASN 225 HB2 -0.06 -0.02 -0.12 -0.04 2.88 2.65 2dy7A15 ASN 225 HB3 0.03 0.01 -0.05 -0.04 2.79 2.74 2dy7A15 ASN 225 HD21 0.04 0.02 -0.07 -0.04 7.03 6.98 2dy7A15 ASN 225 HD22 0.08 0.02 -0.04 -0.04 7.74 7.76 2dy7A15 THR 226 H 0.09 0.37 0.19 -0.55 8.28 8.38 2dy7A15 THR 226 HA 0.21 0.14 0.59 -0.75 4.39 4.58 2dy7A15 THR 226 HB 0.18 -0.03 0.00 -0.04 4.32 4.43 2dy7A15 THR 226 HG23 0.13 0.06 -0.33 -0.04 1.22 1.04 2dy7A15 TRP 227 H 0.38 0.21 0.06 -0.55 7.97 8.08 2dy7A15 TRP 227 HA 0.08 0.18 0.77 -0.75 4.62 4.90 2dy7A15 TRP 227 HB2 0.04 0.01 0.15 -0.04 3.23 3.39 2dy7A15 TRP 227 HB3 0.05 0.03 0.01 -0.04 3.23 3.27 2dy7A15 TRP 227 HD1 0.03 -0.02 -0.17 -0.04 7.22 7.02 2dy7A15 TRP 227 HE1 0.00 0.03 -0.16 -0.04 10.20 10.04 2dy7A15 TRP 227 HE3 0.01 -0.01 -0.34 -0.04 7.59 7.21 2dy7A15 TRP 227 HZ2 -0.03 0.04 -0.15 -0.04 7.44 7.26 2dy7A15 TRP 227 HZ3 -0.07 -0.08 -0.39 -0.04 7.13 6.54 2dy7A15 TRP 227 HH2 -0.07 0.07 -0.21 -0.04 7.19 6.94 2dy7A15 GLU 228 H 0.14 0.37 0.16 -0.55 8.60 8.72 2dy7A15 GLU 228 HA 0.19 0.19 0.70 -0.75 4.29 4.62 2dy7A15 GLU 228 HB2 0.24 0.02 -0.00 -0.04 2.09 2.31 2dy7A15 GLU 228 HB3 0.24 -0.05 0.06 -0.04 1.99 2.19 2dy7A15 GLU 228 HG2 0.30 -0.14 -0.41 -0.04 2.34 2.06 2dy7A15 GLU 228 HG3 0.82 0.05 -0.06 -0.04 2.34 3.11 2dy7A15 THR 229 H 0.15 0.19 0.16 -0.55 8.28 8.23 2dy7A15 THR 229 HA 0.26 0.25 0.86 -0.75 4.39 5.01 2dy7A15 THR 229 HB 0.21 0.06 0.07 -0.04 4.32 4.62 2dy7A15 THR 229 HG23 0.21 0.02 -0.34 -0.04 1.22 1.08 2dy7A15 TYR 230 H 0.19 0.39 0.13 -0.55 8.29 8.45 2dy7A15 TYR 230 HA -0.04 -0.02 0.25 -0.75 4.56 4.00 2dy7A15 TYR 230 HB2 0.04 0.13 0.20 -0.04 3.06 3.39 2dy7A15 TYR 230 HB3 0.00 0.10 0.01 -0.04 2.98 3.05 2dy7A15 TYR 230 HD2 -0.09 0.02 -0.01 -0.04 7.15 7.03 2dy7A15 TYR 230 HE2 -0.28 -0.04 -0.05 -0.04 6.85 6.43 2dy7A15 GLU 231 H 0.19 0.12 -0.37 -0.55 8.60 7.99 2dy7A15 GLU 231 HA 0.10 0.11 0.39 -0.75 4.29 4.14 2dy7A15 GLU 231 HB2 0.12 -0.01 0.08 -0.04 2.09 2.24 2dy7A15 GLU 231 HB3 0.09 0.02 -0.06 -0.04 1.99 2.00 2dy7A15 GLU 231 HG2 0.06 0.03 0.13 -0.04 2.34 2.52 2dy7A15 GLU 231 HG3 0.07 0.03 0.06 -0.04 2.34 2.46 2dy7A15 SER 232 H 0.11 0.66 -0.47 -0.55 8.46 8.22 2dy7A15 SER 232 HA 0.06 0.25 0.88 -0.75 4.49 4.92 2dy7A15 SER 232 HB2 0.07 0.04 -0.07 -0.04 3.95 3.95 2dy7A15 SER 232 HB3 0.11 -0.24 0.15 -0.04 3.93 3.91 2dy7A15 ILE 233 H 0.08 0.44 0.14 -0.55 8.25 8.37 2dy7A15 ILE 233 HA 0.21 0.27 0.81 -0.75 4.18 4.72 2dy7A15 ILE 233 HB 0.32 0.09 -0.03 -0.04 1.89 2.22 2dy7A15 ILE 233 HG12 -0.28 -0.03 -0.32 -0.04 1.49 0.83 2dy7A15 ILE 233 HG13 -0.16 -0.12 0.07 -0.04 1.21 0.97 2dy7A15 ILE 233 HG23 0.01 -0.04 -0.39 -0.04 0.93 0.47 2dy7A15 ILE 233 HD13 -0.41 0.02 -0.20 -0.04 0.88 0.24 2dy7A15 GLY 234 H 0.10 0.44 -0.10 -0.55 8.43 8.32 2dy7A15 GLY 234 HA2 0.15 -0.10 0.69 -0.51 4.01 4.24 2dy7A15 GLY 234 HA3 0.19 0.17 0.45 -0.51 4.01 4.32 2dy7A15 GLN 235 H 0.07 0.14 -0.41 -0.55 8.47 7.73 2dy7A15 GLN 235 HA 0.05 0.04 0.32 -0.75 4.36 4.02 2dy7A15 GLN 235 HB2 0.05 0.00 0.15 -0.04 2.15 2.31 2dy7A15 GLN 235 HB3 0.05 0.28 0.14 -0.04 2.02 2.45 2dy7A15 GLN 235 HG2 0.07 0.07 -0.60 -0.04 2.40 1.89 2dy7A15 GLN 235 HG3 0.08 -0.10 -0.55 -0.04 2.39 1.78 2dy7A15 GLN 235 HE21 0.06 0.06 -0.15 -0.04 6.97 6.90 2dy7A15 GLN 235 HE22 0.03 -0.00 -0.06 -0.04 7.69 7.62 2dy7A15 VAL 236 H 0.05 -0.13 0.13 -0.55 8.24 7.75 2dy7A15 VAL 236 HA 0.08 0.27 0.65 -0.75 4.13 4.37 2dy7A15 VAL 236 HB 0.18 0.10 0.18 -0.04 2.12 2.54 2dy7A15 VAL 236 HG13 0.11 0.05 -0.37 -0.04 0.97 0.73 2dy7A15 VAL 236 HG23 0.23 -0.07 0.06 -0.04 0.95 1.13 2dy7A15 ARG 237 H 0.02 0.19 0.07 -0.55 8.46 8.19 2dy7A15 ARG 237 HA -0.02 0.06 0.36 -0.75 4.34 3.98 2dy7A15 ARG 237 HB2 -0.03 -0.01 -0.57 -0.04 1.90 1.25 2dy7A15 ARG 237 HB3 -0.06 0.06 0.31 -0.04 1.80 2.07 2dy7A15 ARG 237 HG2 -0.08 0.08 0.10 -0.04 1.67 1.74 2dy7A15 ARG 237 HG3 -0.04 -0.07 0.14 -0.04 1.67 1.66 2dy7A15 ARG 237 HD2 -0.09 0.02 -0.04 -0.04 3.22 3.07 2dy7A15 ARG 237 HD3 -0.08 0.05 0.01 -0.04 3.22 3.17 2dy7A15 GLY 238 H -0.02 -0.09 -0.62 -0.55 8.43 7.15 2dy7A15 GLY 238 HA2 -0.21 0.13 0.43 -0.51 4.01 3.86 2dy7A15 GLY 238 HA3 -0.17 0.22 0.33 -0.51 4.01 3.89 2dy7A15 LEU 239 H -0.00 0.12 0.05 -0.55 8.37 7.99 2dy7A15 LEU 239 HA 0.19 0.06 0.26 -0.75 4.35 4.11 2dy7A15 LEU 239 HB2 0.05 -0.04 -0.01 -0.04 1.64 1.60 2dy7A15 LEU 239 HB3 0.10 0.09 -0.00 -0.04 1.64 1.79 2dy7A15 LEU 239 HG 0.25 -0.01 0.10 -0.04 1.64 1.95 2dy7A15 LEU 239 HD13 0.07 0.04 -0.10 -0.04 0.93 0.90 2dy7A15 LEU 239 HD23 0.11 0.05 0.01 -0.04 0.89 1.02 2dy7A15 LYS 240 H -0.02 -0.01 -0.80 -0.55 8.42 7.03 2dy7A15 LYS 240 HA -0.00 0.07 0.41 -0.75 4.32 4.04 2dy7A15 LYS 240 HB2 -0.02 -0.11 0.07 -0.04 1.87 1.77 2dy7A15 LYS 240 HB3 -0.04 0.15 0.18 -0.04 1.79 2.04 2dy7A15 LYS 240 HG2 -0.01 -0.01 0.04 -0.04 1.46 1.43 2dy7A15 LYS 240 HG3 -0.02 -0.00 0.02 -0.04 1.46 1.42 2dy7A15 LYS 240 HD2 -0.04 0.04 -0.08 -0.04 1.69 1.58 2dy7A15 LYS 240 HD3 -0.02 0.01 -0.04 -0.04 1.68 1.59 2dy7A15 LYS 240 HE2 -0.03 -0.05 0.03 -0.04 2.99 2.90 2dy7A15 LYS 240 HE3 -0.05 0.04 0.04 -0.04 2.99 2.98 2dy7A15 ARG 241 H -0.08 0.43 0.12 -0.55 8.46 8.38 2dy7A15 ARG 241 HA -0.03 0.07 0.45 -0.75 4.34 4.08 2dy7A15 ARG 241 HB2 -0.15 0.06 0.15 -0.04 1.90 1.93 2dy7A15 ARG 241 HB3 -0.15 -0.08 -0.10 -0.04 1.80 1.44 2dy7A15 ARG 241 HG2 -0.06 -0.02 0.04 -0.04 1.67 1.59 2dy7A15 ARG 241 HG3 -0.08 -0.04 0.05 -0.04 1.67 1.56 2dy7A15 ARG 241 HD2 -0.16 0.17 -0.17 -0.04 3.22 3.02 2dy7A15 ARG 241 HD3 -0.13 0.10 -0.18 -0.04 3.22 2.97 2dy7A15 LEU 242 H -0.12 1.00 -0.22 -0.55 8.37 8.49 2dy7A15 LEU 242 HA -0.12 0.06 0.38 -0.75 4.35 3.91 2dy7A15 LEU 242 HB2 -0.35 0.03 -0.31 -0.04 1.64 0.97 2dy7A15 LEU 242 HB3 -0.18 -0.03 -0.16 -0.04 1.64 1.23 2dy7A15 LEU 242 HG -1.51 -0.08 -0.20 -0.04 1.64 -0.19 2dy7A15 LEU 242 HD13 -0.60 0.01 -0.15 -0.04 0.93 0.15 2dy7A15 LEU 242 HD23 -0.58 0.01 -0.16 -0.04 0.89 0.11 2dy7A15 ASP 243 H 0.02 0.58 -0.29 -0.55 8.40 8.17 2dy7A15 ASP 243 HA 0.07 -0.05 0.45 -0.75 4.63 4.35 2dy7A15 ASP 243 HB2 0.02 0.21 0.39 -0.04 2.71 3.30 2dy7A15 ASP 243 HB3 0.02 -0.06 0.04 -0.04 2.70 2.66 2dy7A15 ASN 244 H 0.03 0.56 -0.08 -0.55 8.53 8.50 2dy7A15 ASN 244 HA 0.03 0.04 0.39 -0.75 4.76 4.46 2dy7A15 ASN 244 HB2 0.02 0.15 0.18 -0.04 2.88 3.20 2dy7A15 ASN 244 HB3 0.06 0.05 -0.02 -0.04 2.79 2.84 2dy7A15 ASN 244 HD21 0.03 0.02 -0.00 -0.04 7.03 7.03 2dy7A15 ASN 244 HD22 0.00 -0.00 0.01 -0.04 7.74 7.71 2dy7A15 TYR 245 H 0.17 0.21 -0.71 -0.55 8.29 7.42 2dy7A15 TYR 245 HA 0.31 0.11 0.48 -0.75 4.56 4.70 2dy7A15 TYR 245 HB2 -0.01 0.03 0.11 -0.04 3.06 3.14 2dy7A15 TYR 245 HB3 -0.03 0.01 0.19 -0.04 2.98 3.12 2dy7A15 TYR 245 HD2 -0.09 0.02 -0.11 -0.04 7.15 6.93 2dy7A15 TYR 245 HE2 -0.67 0.03 -0.21 -0.04 6.85 5.96 2dy7A15 CYS 246 H 0.14 0.55 -0.17 -0.55 8.50 8.47 2dy7A15 CYS 246 HA -0.11 0.06 0.39 -0.75 4.58 4.17 2dy7A15 CYS 246 HB2 0.07 0.16 0.25 -0.04 2.97 3.41 2dy7A15 CYS 246 HB3 0.03 -0.10 -0.06 -0.04 2.97 2.80 2dy7A15 LYS 247 H 0.01 0.51 -0.26 -0.55 8.42 8.12 2dy7A15 LYS 247 HA -0.04 -0.07 0.44 -0.75 4.32 3.89 2dy7A15 LYS 247 HB2 -0.02 -0.05 0.04 -0.04 1.87 1.80 2dy7A15 LYS 247 HB3 -0.01 0.16 0.12 -0.04 1.79 2.02 2dy7A15 LYS 247 HG2 -0.03 0.07 -0.15 -0.04 1.46 1.31 2dy7A15 LYS 247 HG3 -0.05 0.01 -0.30 -0.04 1.46 1.08 2dy7A15 LYS 247 HD2 -0.02 0.09 -0.01 -0.04 1.69 1.71 2dy7A15 LYS 247 HD3 -0.01 -0.08 -0.03 -0.04 1.68 1.51 2dy7A15 LYS 247 HE2 -0.03 -0.01 -0.06 -0.04 2.99 2.85 2dy7A15 LYS 247 HE3 -0.03 0.06 -0.01 -0.04 2.99 2.96 2dy7A15 GLN 248 H -0.03 0.18 -0.49 -0.55 8.47 7.58 2dy7A15 GLN 248 HA -0.23 0.12 0.61 -0.75 4.36 4.10 2dy7A15 GLN 248 HB2 -0.03 0.25 0.18 -0.04 2.15 2.51 2dy7A15 GLN 248 HB3 -0.11 -0.01 0.06 -0.04 2.02 1.92 2dy7A15 GLN 248 HG2 -0.12 -0.05 0.04 -0.04 2.40 2.22 2dy7A15 GLN 248 HG3 -0.48 -0.00 0.14 -0.04 2.39 2.01 2dy7A15 GLN 248 HE21 -0.16 -0.01 0.05 -0.04 6.97 6.81 2dy7A15 GLN 248 HE22 -0.09 -0.04 0.02 -0.04 7.69 7.54 2dy7A15 PHE 249 H -0.12 -0.08 -0.46 -0.55 8.34 7.13 2dy7A15 PHE 249 HA -0.12 0.16 0.81 -0.75 4.62 4.71 2dy7A15 PHE 249 HB2 -0.96 0.22 0.04 -0.04 3.15 2.41 2dy7A15 PHE 249 HB3 -0.22 -0.11 0.02 -0.04 3.06 2.70 2dy7A15 PHE 249 HD2 -0.27 0.03 0.03 -0.04 7.28 7.02 2dy7A15 PHE 249 HE2 0.08 -0.06 -0.00 -0.04 7.38 7.36 2dy7A15 PHE 249 HZ 0.07 -0.05 -0.00 -0.04 7.32 7.30 2dy7A15 ILE 250 H -0.09 0.19 0.06 -0.55 8.25 7.86 2dy7A15 ILE 250 HA -0.02 0.13 0.99 -0.75 4.18 4.53 2dy7A15 ILE 250 HB -0.12 -0.04 0.19 -0.04 1.89 1.88 2dy7A15 ILE 250 HG12 -0.28 -0.12 -0.08 -0.04 1.49 0.98 2dy7A15 ILE 250 HG13 -0.04 0.18 -0.19 -0.04 1.21 1.12 2dy7A15 ILE 250 HG23 -0.08 0.01 -0.33 -0.04 0.93 0.48 2dy7A15 ILE 250 HD13 -0.94 -0.03 -0.18 -0.04 0.88 -0.32 2dy7A15 ILE 251 H -0.06 0.31 0.36 -0.55 8.25 8.31 2dy7A15 ILE 251 HA -0.03 0.28 0.93 -0.75 4.18 4.61 2dy7A15 ILE 251 HB -0.03 -0.06 0.14 -0.04 1.89 1.90 2dy7A15 ILE 251 HG12 -0.03 0.22 -0.72 -0.04 1.49 0.91 2dy7A15 ILE 251 HG13 -0.04 0.17 -0.46 -0.04 1.21 0.85 2dy7A15 ILE 251 HG23 -0.02 -0.05 0.23 -0.04 0.93 1.05 2dy7A15 ILE 251 HD13 -0.02 -0.13 -0.10 -0.04 0.88 0.58 2dy7A15 GLU 252 H -0.03 0.03 0.12 -0.55 8.60 8.18 2dy7A15 GLU 252 HA -0.06 0.32 0.40 -0.75 4.29 4.20 2dy7A15 GLU 252 HB2 -0.04 -0.04 0.07 -0.04 2.09 2.03 2dy7A15 GLU 252 HB3 -0.05 0.27 -0.17 -0.04 1.99 2.00 2dy7A15 GLU 252 HG2 -0.03 0.07 -0.20 -0.04 2.34 2.14 2dy7A15 GLU 252 HG3 -0.03 -0.08 0.02 -0.04 2.34 2.21