============================================================================= 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 11.582 4.057 -7.765 -99.200 -91.000 HIS 6 0.900 10.579 2.535 0.578 -99.200 -91.000 HIS 14 0.900 -7.635 -7.690 2.512 -99.200 -91.000 TYR 40 0.840 -12.092 -4.139 2.698 -99.200 -91.000 PHE 42 1.000 -6.165 -3.306 0.141 -99.200 -91.000 TRP 46 1.040 5.342 -0.001 2.381 -99.200 -91.000 TRP6 46 1.020 4.553 1.072 0.386 -99.200 -91.000 HIS 51 0.900 16.458 -0.642 11.760 -99.200 -91.000 HIS 53 0.900 10.230 -6.657 7.131 -99.200 -91.000 TRP 56 1.040 -1.466 -2.956 8.551 -99.200 -91.000 TRP6 56 1.020 -3.241 -4.329 7.716 -99.200 -91.000 TYR 59 0.840 -5.999 -0.089 -4.267 -99.200 -91.000 TYR 74 0.840 -3.683 -8.629 -0.201 -99.200 -91.000 PHE 78 1.000 -3.852 -13.055 -0.222 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dy7A18 GLN 172 HA -0.00 -0.08 0.21 -0.75 4.36 3.73 2dy7A18 GLN 172 HB2 -0.01 -0.02 0.10 -0.04 2.15 2.17 2dy7A18 GLN 172 HB3 -0.01 -0.05 -0.03 -0.04 2.02 1.89 2dy7A18 GLN 172 HG2 -0.00 -0.01 0.04 -0.04 2.40 2.39 2dy7A18 GLN 172 HG3 -0.01 -0.01 0.03 -0.04 2.39 2.36 2dy7A18 GLN 172 HE21 -0.00 0.01 -0.05 -0.04 6.97 6.89 2dy7A18 GLN 172 HE22 -0.00 -0.02 -0.02 -0.04 7.69 7.60 2dy7A18 PRO 173 HA -0.00 0.04 0.42 -0.51 4.44 4.38 2dy7A18 PRO 173 HB2 -0.02 0.03 0.02 -0.04 2.28 2.28 2dy7A18 PRO 173 HB3 -0.01 -0.01 0.09 -0.04 2.02 2.05 2dy7A18 PRO 173 HG2 -0.04 0.05 -0.10 -0.04 2.03 1.90 2dy7A18 PRO 173 HG3 -0.02 -0.01 0.02 -0.04 2.03 1.98 2dy7A18 PRO 173 HD2 -0.02 0.26 0.12 -0.04 3.68 4.00 2dy7A18 PRO 173 HD3 -0.01 0.03 0.12 -0.04 3.65 3.75 2dy7A18 GLU 174 H 0.01 0.07 0.12 -0.55 8.60 8.25 2dy7A18 GLU 174 HA 0.02 0.07 0.45 -0.75 4.29 4.07 2dy7A18 GLU 174 HB2 0.04 0.01 0.15 -0.04 2.09 2.25 2dy7A18 GLU 174 HB3 0.06 -0.01 0.22 -0.04 1.99 2.21 2dy7A18 GLU 174 HG2 0.15 -0.02 0.01 -0.04 2.34 2.43 2dy7A18 GLU 174 HG3 0.13 -0.03 -0.11 -0.04 2.34 2.29 2dy7A18 ASP 175 H -0.03 0.23 0.10 -0.55 8.40 8.15 2dy7A18 ASP 175 HA -0.40 0.14 0.86 -0.75 4.63 4.48 2dy7A18 ASP 175 HB2 -0.20 -0.00 0.13 -0.04 2.71 2.60 2dy7A18 ASP 175 HB3 -0.13 0.01 -0.16 -0.04 2.70 2.39 2dy7A18 PHE 176 H -0.19 0.09 -0.13 -0.55 8.34 7.56 2dy7A18 PHE 176 HA 0.05 0.02 0.34 -0.75 4.62 4.27 2dy7A18 PHE 176 HB2 0.04 0.03 0.07 -0.04 3.15 3.25 2dy7A18 PHE 176 HB3 0.02 -0.01 0.09 -0.04 3.06 3.12 2dy7A18 PHE 176 HD2 0.02 0.02 -0.35 -0.04 7.28 6.93 2dy7A18 PHE 176 HE2 0.00 -0.00 -0.09 -0.04 7.38 7.25 2dy7A18 PHE 176 HZ -0.00 -0.00 -0.05 -0.04 7.32 7.22 2dy7A18 HIS 177 H 0.32 0.10 0.18 -0.55 8.41 8.47 2dy7A18 HIS 177 HA 0.11 0.19 0.92 -0.75 4.63 5.10 2dy7A18 HIS 177 HB2 -0.02 -0.04 0.16 -0.04 3.26 3.32 2dy7A18 HIS 177 HB3 -0.03 -0.03 0.04 -0.04 3.20 3.14 2dy7A18 HIS 177 HD2 -0.03 0.05 -0.02 -0.04 6.97 6.93 2dy7A18 HIS 177 HE1 0.13 0.04 0.08 -0.04 7.75 7.96 2dy7A18 GLY 178 H 0.16 0.17 0.14 -0.55 8.43 8.35 2dy7A18 GLY 178 HA2 0.34 0.20 0.97 -0.51 4.01 5.01 2dy7A18 GLY 178 HA3 0.23 0.04 0.29 -0.51 4.01 4.05 2dy7A18 ILE 179 H 0.02 0.27 0.11 -0.55 8.25 8.10 2dy7A18 ILE 179 HA -0.68 0.07 0.51 -0.75 4.18 3.33 2dy7A18 ILE 179 HB -0.24 -0.10 -0.02 -0.04 1.89 1.49 2dy7A18 ILE 179 HG12 -0.74 0.03 -0.18 -0.04 1.49 0.56 2dy7A18 ILE 179 HG13 -1.18 0.03 -0.11 -0.04 1.21 -0.09 2dy7A18 ILE 179 HG23 -0.22 0.02 -0.21 -0.04 0.93 0.48 2dy7A18 ILE 179 HD13 -0.41 -0.01 -0.08 -0.04 0.88 0.35 2dy7A18 ASP 180 H -0.33 0.27 0.14 -0.55 8.40 7.94 2dy7A18 ASP 180 HA -0.09 0.08 0.67 -0.75 4.63 4.54 2dy7A18 ASP 180 HB2 -0.05 -0.13 -0.03 -0.04 2.71 2.46 2dy7A18 ASP 180 HB3 -0.12 0.24 0.15 -0.04 2.70 2.92 2dy7A18 ILE 181 H -0.32 0.33 0.21 -0.55 8.25 7.93 2dy7A18 ILE 181 HA -0.17 0.10 0.57 -0.75 4.18 3.94 2dy7A18 ILE 181 HB -0.16 0.00 -0.01 -0.04 1.89 1.67 2dy7A18 ILE 181 HG12 -0.08 0.03 0.15 -0.04 1.49 1.55 2dy7A18 ILE 181 HG13 -0.10 0.02 -0.57 -0.04 1.21 0.52 2dy7A18 ILE 181 HG23 -0.12 -0.02 -0.27 -0.04 0.93 0.47 2dy7A18 ILE 181 HD13 -0.07 -0.01 -0.04 -0.04 0.88 0.72 2dy7A18 VAL 182 H -0.23 0.23 0.03 -0.55 8.24 7.73 2dy7A18 VAL 182 HA -0.53 0.18 0.81 -0.75 4.13 3.84 2dy7A18 VAL 182 HB -0.61 0.05 0.17 -0.04 2.12 1.70 2dy7A18 VAL 182 HG13 -1.61 0.02 -0.07 -0.04 0.97 -0.73 2dy7A18 VAL 182 HG23 -0.31 -0.01 -0.23 -0.04 0.95 0.37 2dy7A18 ILE 183 H -0.40 0.27 0.22 -0.55 8.25 7.79 2dy7A18 ILE 183 HA -0.17 0.05 0.36 -0.75 4.18 3.67 2dy7A18 ILE 183 HB -0.32 -0.07 0.04 -0.04 1.89 1.50 2dy7A18 ILE 183 HG12 -0.24 0.01 0.08 -0.04 1.49 1.29 2dy7A18 ILE 183 HG13 -0.10 -0.01 -0.02 -0.04 1.21 1.05 2dy7A18 ILE 183 HG23 -0.04 -0.00 -0.06 -0.04 0.93 0.79 2dy7A18 ILE 183 HD13 -0.10 0.01 -0.05 -0.04 0.88 0.69 2dy7A18 ASN 184 H -0.55 0.24 -0.04 -0.55 8.53 7.64 2dy7A18 ASN 184 HA 0.09 0.17 0.37 -0.75 4.76 4.64 2dy7A18 ASN 184 HB2 -0.03 0.01 -0.69 -0.04 2.88 2.13 2dy7A18 ASN 184 HB3 0.12 -0.07 -0.06 -0.04 2.79 2.74 2dy7A18 ASN 184 HD21 0.06 0.30 0.23 -0.04 7.03 7.58 2dy7A18 ASN 184 HD22 0.12 -0.05 0.10 -0.04 7.74 7.88 2dy7A18 HIS 185 H 0.15 0.34 0.21 -0.55 8.41 8.57 2dy7A18 HIS 185 HA 0.08 -0.09 0.51 -0.75 4.63 4.37 2dy7A18 HIS 185 HB2 -1.03 0.31 0.27 -0.04 3.26 2.77 2dy7A18 HIS 185 HB3 0.04 0.03 -0.44 -0.04 3.20 2.79 2dy7A18 HIS 185 HD2 -0.02 -0.06 -0.20 -0.04 6.97 6.65 2dy7A18 HIS 185 HE1 0.10 0.17 -0.07 -0.04 7.75 7.91 2dy7A18 ARG 186 H 0.23 0.57 0.19 -0.55 8.46 8.89 2dy7A18 ARG 186 HA 0.09 0.07 0.41 -0.75 4.34 4.16 2dy7A18 ARG 186 HB2 -0.10 -0.04 0.10 -0.04 1.90 1.82 2dy7A18 ARG 186 HB3 -0.03 0.30 0.24 -0.04 1.80 2.27 2dy7A18 ARG 186 HG2 -0.12 0.02 -0.46 -0.04 1.67 1.07 2dy7A18 ARG 186 HG3 0.15 -0.10 -0.26 -0.04 1.67 1.42 2dy7A18 ARG 186 HD2 -0.81 -0.04 -0.10 -0.04 3.22 2.22 2dy7A18 ARG 186 HD3 -0.26 0.08 -0.11 -0.04 3.22 2.89 2dy7A18 LEU 187 H -0.28 0.17 0.17 -0.55 8.37 7.88 2dy7A18 LEU 187 HA -0.55 0.17 0.40 -0.75 4.35 3.63 2dy7A18 LEU 187 HB2 -0.26 0.01 0.21 -0.04 1.64 1.56 2dy7A18 LEU 187 HB3 -0.17 -0.09 0.01 -0.04 1.64 1.35 2dy7A18 LEU 187 HG -0.31 0.11 0.07 -0.04 1.64 1.47 2dy7A18 LEU 187 HD13 -0.26 -0.00 0.09 -0.04 0.93 0.72 2dy7A18 LEU 187 HD23 -0.11 0.01 -0.09 -0.04 0.89 0.66 2dy7A18 LYS 188 H -0.09 0.17 -0.00 -0.55 8.42 7.95 2dy7A18 LYS 188 HA 0.03 0.09 0.44 -0.75 4.32 4.13 2dy7A18 LYS 188 HB2 0.09 0.03 0.06 -0.04 1.87 2.02 2dy7A18 LYS 188 HB3 0.12 -0.04 -0.10 -0.04 1.79 1.73 2dy7A18 LYS 188 HG2 -0.01 -0.02 -0.05 -0.04 1.46 1.35 2dy7A18 LYS 188 HG3 0.04 0.04 0.10 -0.04 1.46 1.60 2dy7A18 LYS 188 HD2 0.13 -0.03 -0.09 -0.04 1.69 1.66 2dy7A18 LYS 188 HD3 0.06 -0.05 -0.08 -0.04 1.68 1.56 2dy7A18 LYS 188 HE2 0.04 0.04 0.01 -0.04 2.99 3.04 2dy7A18 LYS 188 HE3 0.07 -0.02 -0.00 -0.04 2.99 2.99 2dy7A18 THR 189 H -0.09 0.54 -0.06 -0.55 8.28 8.11 2dy7A18 THR 189 HA -0.04 0.27 0.87 -0.75 4.39 4.74 2dy7A18 THR 189 HB -0.08 -0.13 -0.06 -0.04 4.32 4.00 2dy7A18 THR 189 HG23 -0.05 0.10 0.06 -0.04 1.22 1.30 2dy7A18 SER 190 H -0.14 0.15 0.11 -0.55 8.46 8.04 2dy7A18 SER 190 HA -0.22 0.06 0.38 -0.75 4.49 3.95 2dy7A18 SER 190 HB2 -0.08 0.14 0.30 -0.04 3.95 4.27 2dy7A18 SER 190 HB3 -0.13 0.01 0.02 -0.04 3.93 3.78 2dy7A18 LEU 191 H -0.07 0.93 0.18 -0.55 8.37 8.87 2dy7A18 LEU 191 HA -0.07 0.10 0.43 -0.75 4.35 4.06 2dy7A18 LEU 191 HB2 -0.05 0.03 0.12 -0.04 1.64 1.71 2dy7A18 LEU 191 HB3 -0.04 -0.03 -0.08 -0.04 1.64 1.45 2dy7A18 LEU 191 HG -0.04 0.03 0.10 -0.04 1.64 1.69 2dy7A18 LEU 191 HD13 -0.04 -0.01 -0.00 -0.04 0.93 0.84 2dy7A18 LEU 191 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 2dy7A18 GLU 192 H -0.09 -0.10 -1.04 -0.55 8.60 6.83 2dy7A18 GLU 192 HA -0.07 -0.05 0.17 -0.75 4.29 3.59 2dy7A18 GLU 192 HB2 -0.08 -0.00 -0.15 -0.04 2.09 1.81 2dy7A18 GLU 192 HB3 -0.06 0.21 -0.22 -0.04 1.99 1.88 2dy7A18 GLU 192 HG2 -0.05 -0.01 0.01 -0.04 2.34 2.25 2dy7A18 GLU 192 HG3 -0.05 0.01 0.00 -0.04 2.34 2.27 2dy7A18 GLU 193 H -0.05 0.09 -0.11 -0.55 8.60 7.98 2dy7A18 GLU 193 HA -0.03 0.14 0.80 -0.75 4.29 4.45 2dy7A18 GLU 193 HB2 -0.02 -0.04 -0.01 -0.04 2.09 1.98 2dy7A18 GLU 193 HB3 -0.03 0.16 -0.32 -0.04 1.99 1.76 2dy7A18 GLU 193 HG2 -0.04 -0.07 -0.15 -0.04 2.34 2.04 2dy7A18 GLU 193 HG3 -0.03 0.02 -0.05 -0.04 2.34 2.24 2dy7A18 GLY 194 H -0.02 0.05 0.14 -0.55 8.43 8.06 2dy7A18 GLY 194 HA2 -0.01 -0.02 0.31 -0.51 4.01 3.78 2dy7A18 GLY 194 HA3 -0.02 0.20 0.86 -0.51 4.01 4.54 2dy7A18 LYS 195 H -0.02 -0.06 0.11 -0.55 8.42 7.89 2dy7A18 LYS 195 HA -0.01 0.01 0.31 -0.75 4.32 3.88 2dy7A18 LYS 195 HB2 -0.01 -0.02 -0.77 -0.04 1.87 1.03 2dy7A18 LYS 195 HB3 -0.01 0.06 0.11 -0.04 1.79 1.91 2dy7A18 LYS 195 HG2 -0.01 -0.02 0.11 -0.04 1.46 1.51 2dy7A18 LYS 195 HG3 -0.01 -0.02 -0.01 -0.04 1.46 1.39 2dy7A18 LYS 195 HD2 -0.00 0.04 -0.00 -0.04 1.69 1.69 2dy7A18 LYS 195 HD3 -0.00 0.00 0.06 -0.04 1.68 1.71 2dy7A18 LYS 195 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.95 2dy7A18 LYS 195 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 2dy7A18 VAL 196 H -0.01 0.16 0.15 -0.55 8.24 7.99 2dy7A18 VAL 196 HA -0.03 0.19 0.78 -0.75 4.13 4.32 2dy7A18 VAL 196 HB -0.01 0.03 -0.08 -0.04 2.12 2.02 2dy7A18 VAL 196 HG13 -0.02 0.06 -0.29 -0.04 0.97 0.67 2dy7A18 VAL 196 HG23 -0.00 -0.01 0.03 -0.04 0.95 0.93 2dy7A18 LEU 197 H -0.02 0.19 0.06 -0.55 8.37 8.06 2dy7A18 LEU 197 HA 0.02 0.11 0.65 -0.75 4.35 4.38 2dy7A18 LEU 197 HB2 0.02 0.01 0.23 -0.04 1.64 1.86 2dy7A18 LEU 197 HB3 0.06 0.01 0.10 -0.04 1.64 1.77 2dy7A18 LEU 197 HG -0.04 -0.01 0.01 -0.04 1.64 1.56 2dy7A18 LEU 197 HD13 -0.01 0.03 0.03 -0.04 0.93 0.93 2dy7A18 LEU 197 HD23 0.01 0.01 -0.14 -0.04 0.89 0.73 2dy7A18 GLU 198 H 0.02 0.32 0.19 -0.55 8.60 8.59 2dy7A18 GLU 198 HA 0.03 0.09 0.40 -0.75 4.29 4.06 2dy7A18 GLU 198 HB2 0.02 0.04 0.14 -0.04 2.09 2.24 2dy7A18 GLU 198 HB3 0.02 0.03 0.00 -0.04 1.99 2.00 2dy7A18 GLU 198 HG2 0.01 0.01 0.04 -0.04 2.34 2.36 2dy7A18 GLU 198 HG3 0.02 0.02 0.12 -0.04 2.34 2.46 2dy7A18 LYS 199 H 0.05 -0.03 -0.60 -0.55 8.42 7.27 2dy7A18 LYS 199 HA 0.04 0.04 0.38 -0.75 4.32 4.03 2dy7A18 LYS 199 HB2 0.05 -0.11 0.06 -0.04 1.87 1.83 2dy7A18 LYS 199 HB3 0.07 0.14 -0.01 -0.04 1.79 1.95 2dy7A18 LYS 199 HG2 0.03 -0.02 0.03 -0.04 1.46 1.47 2dy7A18 LYS 199 HG3 0.03 0.01 0.09 -0.04 1.46 1.55 2dy7A18 LYS 199 HD2 0.03 -0.09 -0.10 -0.04 1.69 1.48 2dy7A18 LYS 199 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.65 2dy7A18 LYS 199 HE2 0.02 -0.01 0.01 -0.04 2.99 2.96 2dy7A18 LYS 199 HE3 0.02 0.05 -0.00 -0.04 2.99 3.02 2dy7A18 THR 200 H 0.08 0.14 -0.60 -0.55 8.28 7.35 2dy7A18 THR 200 HA 0.14 -0.01 0.27 -0.75 4.39 4.04 2dy7A18 THR 200 HB 0.04 0.12 -0.13 -0.04 4.32 4.31 2dy7A18 THR 200 HG23 0.06 0.01 0.05 -0.04 1.22 1.30 2dy7A18 VAL 201 H 0.04 0.15 0.09 -0.55 8.24 7.98 2dy7A18 VAL 201 HA -0.04 0.08 0.89 -0.75 4.13 4.31 2dy7A18 VAL 201 HB -0.22 -0.02 0.03 -0.04 2.12 1.87 2dy7A18 VAL 201 HG13 -0.69 -0.03 -0.19 -0.04 0.97 0.02 2dy7A18 VAL 201 HG23 -0.02 -0.00 0.22 -0.04 0.95 1.11 2dy7A18 PRO 202 HA -0.01 0.19 0.63 -0.51 4.44 4.74 2dy7A18 PRO 202 HB2 -0.00 -0.05 0.03 -0.04 2.28 2.22 2dy7A18 PRO 202 HB3 0.00 0.07 0.08 -0.04 2.02 2.13 2dy7A18 PRO 202 HG2 0.00 -0.16 0.15 -0.04 2.03 1.98 2dy7A18 PRO 202 HG3 0.01 0.15 0.09 -0.04 2.03 2.25 2dy7A18 PRO 202 HD2 -0.00 -0.12 0.27 -0.04 3.68 3.78 2dy7A18 PRO 202 HD3 0.02 0.67 -0.09 -0.04 3.65 4.21 2dy7A18 ASP 203 H -0.02 0.08 0.11 -0.55 8.40 8.02 2dy7A18 ASP 203 HA -0.02 0.28 0.82 -0.75 4.63 4.95 2dy7A18 ASP 203 HB2 -0.02 -0.08 0.17 -0.04 2.71 2.75 2dy7A18 ASP 203 HB3 -0.01 0.12 -0.01 -0.04 2.70 2.76 2dy7A18 LEU 204 H -0.03 0.20 0.12 -0.55 8.37 8.11 2dy7A18 LEU 204 HA -0.06 0.15 0.45 -0.75 4.35 4.14 2dy7A18 LEU 204 HB2 -0.03 0.06 0.07 -0.04 1.64 1.70 2dy7A18 LEU 204 HB3 -0.05 0.02 0.03 -0.04 1.64 1.61 2dy7A18 LEU 204 HG -0.17 -0.01 -0.02 -0.04 1.64 1.40 2dy7A18 LEU 204 HD13 -0.09 -0.02 0.05 -0.04 0.93 0.83 2dy7A18 LEU 204 HD23 0.01 0.02 0.00 -0.04 0.89 0.87 2dy7A18 ASN 205 H -0.03 0.03 -0.25 -0.55 8.53 7.74 2dy7A18 ASN 205 HA -0.04 0.11 0.34 -0.75 4.76 4.42 2dy7A18 ASN 205 HB2 -0.01 -0.05 0.05 -0.04 2.88 2.83 2dy7A18 ASN 205 HB3 -0.01 0.09 -0.03 -0.04 2.79 2.80 2dy7A18 ASN 205 HD21 -0.01 0.05 -0.02 -0.04 7.03 7.01 2dy7A18 ASN 205 HD22 -0.01 0.03 -0.02 -0.04 7.74 7.69 2dy7A18 ASN 206 H -0.00 0.05 -0.22 -0.55 8.53 7.81 2dy7A18 ASN 206 HA 0.07 0.08 0.31 -0.75 4.76 4.46 2dy7A18 ASN 206 HB2 0.02 -0.12 0.15 -0.04 2.88 2.89 2dy7A18 ASN 206 HB3 0.01 0.03 0.05 -0.04 2.79 2.84 2dy7A18 ASN 206 HD21 0.18 -0.04 0.03 -0.04 7.03 7.15 2dy7A18 ASN 206 HD22 0.14 -0.06 -0.04 -0.04 7.74 7.74 2dy7A18 CYS 207 H -0.03 0.16 -0.36 -0.55 8.50 7.72 2dy7A18 CYS 207 HA 0.21 0.11 0.20 -0.75 4.58 4.35 2dy7A18 CYS 207 HB2 -0.02 0.01 0.09 -0.04 2.97 3.01 2dy7A18 CYS 207 HB3 0.34 0.00 -0.07 -0.04 2.97 3.21 2dy7A18 LYS 208 H -0.13 0.41 -0.02 -0.55 8.42 8.12 2dy7A18 LYS 208 HA -0.32 -0.10 0.32 -0.75 4.32 3.47 2dy7A18 LYS 208 HB2 -0.40 -0.08 0.08 -0.04 1.87 1.42 2dy7A18 LYS 208 HB3 -0.53 0.03 0.15 -0.04 1.79 1.40 2dy7A18 LYS 208 HG2 -0.10 0.13 0.20 -0.04 1.46 1.65 2dy7A18 LYS 208 HG3 -0.07 0.07 -0.37 -0.04 1.46 1.05 2dy7A18 LYS 208 HD2 -0.06 -0.07 -0.06 -0.04 1.69 1.45 2dy7A18 LYS 208 HD3 -0.09 -0.02 -0.07 -0.04 1.68 1.46 2dy7A18 LYS 208 HE2 -0.28 -0.04 -0.04 -0.04 2.99 2.59 2dy7A18 LYS 208 HE3 -0.13 -0.09 -0.46 -0.04 2.99 2.28 2dy7A18 GLU 209 H 0.05 0.21 -1.09 -0.55 8.60 7.22 2dy7A18 GLU 209 HA 0.05 0.04 0.67 -0.75 4.29 4.29 2dy7A18 GLU 209 HB2 0.04 -0.10 0.07 -0.04 2.09 2.06 2dy7A18 GLU 209 HB3 0.03 0.04 0.04 -0.04 1.99 2.06 2dy7A18 GLU 209 HG2 0.07 -0.05 0.26 -0.04 2.34 2.58 2dy7A18 GLU 209 HG3 0.12 0.17 -0.05 -0.04 2.34 2.53 2dy7A18 ASN 210 H 0.21 0.56 -0.03 -0.55 8.53 8.72 2dy7A18 ASN 210 HA 0.09 0.02 0.54 -0.75 4.76 4.65 2dy7A18 ASN 210 HB2 0.11 0.04 -0.05 -0.04 2.88 2.94 2dy7A18 ASN 210 HB3 -0.00 -0.12 0.20 -0.04 2.79 2.83 2dy7A18 ASN 210 HD21 0.03 -0.04 0.08 -0.04 7.03 7.06 2dy7A18 ASN 210 HD22 0.02 -0.11 0.10 -0.04 7.74 7.71 2dy7A18 TYR 211 H 0.27 0.23 0.07 -0.55 8.29 8.31 2dy7A18 TYR 211 HA 0.07 -0.06 0.55 -0.75 4.56 4.36 2dy7A18 TYR 211 HB2 0.20 0.10 -0.12 -0.04 3.06 3.20 2dy7A18 TYR 211 HB3 0.03 0.00 -0.16 -0.04 2.98 2.82 2dy7A18 TYR 211 HD2 0.07 0.07 -0.23 -0.04 7.15 7.02 2dy7A18 TYR 211 HE2 0.07 0.02 -0.12 -0.04 6.85 6.78 2dy7A18 GLU 212 H 0.09 0.65 0.15 -0.55 8.60 8.95 2dy7A18 GLU 212 HA 0.43 0.12 0.84 -0.75 4.29 4.93 2dy7A18 GLU 212 HB2 0.19 -0.14 0.01 -0.04 2.09 2.10 2dy7A18 GLU 212 HB3 0.34 0.06 -0.04 -0.04 1.99 2.31 2dy7A18 GLU 212 HG2 0.53 -0.12 -0.06 -0.04 2.34 2.66 2dy7A18 GLU 212 HG3 0.32 0.07 -0.17 -0.04 2.34 2.52 2dy7A18 PHE 213 H 0.43 0.67 0.26 -0.55 8.34 9.14 2dy7A18 PHE 213 HA 0.03 0.13 1.02 -0.75 4.62 5.05 2dy7A18 PHE 213 HB2 -0.07 -0.12 -0.06 -0.04 3.15 2.86 2dy7A18 PHE 213 HB3 -0.31 0.08 -0.10 -0.04 3.06 2.69 2dy7A18 PHE 213 HD2 0.09 -0.02 -0.25 -0.04 7.28 7.07 2dy7A18 PHE 213 HE2 0.20 0.09 -0.22 -0.04 7.38 7.42 2dy7A18 PHE 213 HZ 0.07 -0.08 -0.17 -0.04 7.32 7.10 2dy7A18 LEU 214 H -1.07 0.66 0.05 -0.55 8.37 7.46 2dy7A18 LEU 214 HA -1.37 0.11 0.54 -0.75 4.35 2.88 2dy7A18 LEU 214 HB2 -2.81 0.01 -0.08 -0.04 1.64 -1.29 2dy7A18 LEU 214 HB3 -0.86 -0.26 0.17 -0.04 1.64 0.66 2dy7A18 LEU 214 HG -0.45 -0.05 -0.18 -0.04 1.64 0.93 2dy7A18 LEU 214 HD13 -0.93 -0.00 -0.32 -0.04 0.93 -0.37 2dy7A18 LEU 214 HD23 0.15 0.02 -0.16 -0.04 0.89 0.86 2dy7A18 ILE 215 H -0.28 0.79 0.57 -0.55 8.25 8.78 2dy7A18 ILE 215 HA -0.59 0.13 0.81 -0.75 4.18 3.77 2dy7A18 ILE 215 HB -0.21 -0.03 0.20 -0.04 1.89 1.81 2dy7A18 ILE 215 HG12 -0.04 0.10 0.21 -0.04 1.49 1.72 2dy7A18 ILE 215 HG13 0.02 -0.10 -0.06 -0.04 1.21 1.03 2dy7A18 ILE 215 HG23 -1.99 -0.01 -0.17 -0.04 0.93 -1.28 2dy7A18 ILE 215 HD13 -0.33 -0.03 -0.45 -0.04 0.88 0.03 2dy7A18 LYS 216 H -0.44 0.90 0.48 -0.55 8.42 8.81 2dy7A18 LYS 216 HA -0.07 0.09 0.76 -0.75 4.32 4.34 2dy7A18 LYS 216 HB2 -0.15 -0.08 0.18 -0.04 1.87 1.78 2dy7A18 LYS 216 HB3 -0.23 -0.00 0.40 -0.04 1.79 1.91 2dy7A18 LYS 216 HG2 -0.12 -0.03 0.04 -0.04 1.46 1.30 2dy7A18 LYS 216 HG3 -0.07 0.28 0.15 -0.04 1.46 1.78 2dy7A18 LYS 216 HD2 -0.12 -0.06 0.01 -0.04 1.69 1.48 2dy7A18 LYS 216 HD3 -0.14 -0.03 -0.02 -0.04 1.68 1.45 2dy7A18 LYS 216 HE2 -0.34 0.10 0.04 -0.04 2.99 2.74 2dy7A18 LYS 216 HE3 -0.15 -0.05 -0.00 -0.04 2.99 2.75 2dy7A18 TRP 217 H 0.22 0.15 0.11 -0.55 7.97 7.91 2dy7A18 TRP 217 HA 0.04 -0.01 0.55 -0.75 4.62 4.44 2dy7A18 TRP 217 HB2 0.12 0.02 -0.06 -0.04 3.23 3.27 2dy7A18 TRP 217 HB3 0.31 -0.03 0.14 -0.04 3.23 3.62 2dy7A18 TRP 217 HD1 0.01 -0.10 0.03 -0.04 7.22 7.12 2dy7A18 TRP 217 HE1 -0.03 -0.11 0.00 -0.04 10.20 10.02 2dy7A18 TRP 217 HE3 0.18 0.29 -0.15 -0.04 7.59 7.87 2dy7A18 TRP 217 HZ2 -0.03 -0.08 -0.10 -0.04 7.44 7.19 2dy7A18 TRP 217 HZ3 0.05 0.01 -0.35 -0.04 7.13 6.79 2dy7A18 TRP 217 HH2 -0.03 -0.05 -0.08 -0.04 7.19 6.99 2dy7A18 THR 218 H 0.42 0.15 0.14 -0.55 8.28 8.44 2dy7A18 THR 218 HA 0.08 0.17 0.85 -0.75 4.39 4.73 2dy7A18 THR 218 HB -0.14 0.03 0.15 -0.04 4.32 4.31 2dy7A18 THR 218 HG23 -0.03 0.00 -0.02 -0.04 1.22 1.13 2dy7A18 ASP 219 H 0.13 0.22 -0.01 -0.55 8.40 8.20 2dy7A18 ASP 219 HA 0.13 0.05 0.64 -0.75 4.63 4.70 2dy7A18 ASP 219 HB2 0.25 -0.17 -0.33 -0.04 2.71 2.41 2dy7A18 ASP 219 HB3 0.18 0.24 -0.10 -0.04 2.70 2.98 2dy7A18 GLU 220 H 0.05 0.08 0.05 -0.55 8.60 8.24 2dy7A18 GLU 220 HA 0.03 -0.07 0.38 -0.75 4.29 3.88 2dy7A18 GLU 220 HB2 -0.00 -0.00 0.15 -0.04 2.09 2.19 2dy7A18 GLU 220 HB3 -0.03 0.00 -0.03 -0.04 1.99 1.89 2dy7A18 GLU 220 HG2 -0.00 -0.01 0.06 -0.04 2.34 2.34 2dy7A18 GLU 220 HG3 -0.00 -0.01 0.05 -0.04 2.34 2.34 2dy7A18 SER 221 H 0.06 -0.02 0.19 -0.55 8.46 8.15 2dy7A18 SER 221 HA 0.09 -0.02 0.36 -0.75 4.49 4.17 2dy7A18 SER 221 HB2 -0.04 -0.06 -0.09 -0.04 3.95 3.72 2dy7A18 SER 221 HB3 -0.17 0.15 -0.15 -0.04 3.93 3.72 2dy7A18 HIS 222 H 0.12 -0.04 0.14 -0.55 8.41 8.08 2dy7A18 HIS 222 HA -0.02 -0.06 0.34 -0.75 4.63 4.13 2dy7A18 HIS 222 HB2 0.02 0.42 -0.60 -0.04 3.26 3.06 2dy7A18 HIS 222 HB3 -0.00 -0.11 0.16 -0.04 3.20 3.20 2dy7A18 HIS 222 HD2 -0.00 -0.05 0.09 -0.04 6.97 6.96 2dy7A18 HIS 222 HE1 0.00 -0.01 -0.00 -0.04 7.75 7.69 2dy7A18 LEU 223 H -0.00 0.05 0.14 -0.55 8.37 8.02 2dy7A18 LEU 223 HA -0.25 0.03 0.51 -0.75 4.35 3.88 2dy7A18 LEU 223 HB2 -0.05 -0.02 0.19 -0.04 1.64 1.72 2dy7A18 LEU 223 HB3 -0.02 0.01 0.02 -0.04 1.64 1.61 2dy7A18 LEU 223 HG -0.09 0.02 0.02 -0.04 1.64 1.55 2dy7A18 LEU 223 HD13 -0.06 -0.01 -0.00 -0.04 0.93 0.82 2dy7A18 LEU 223 HD23 0.00 0.01 0.02 -0.04 0.89 0.88 2dy7A18 HIS 224 H -0.59 0.11 0.06 -0.55 8.41 7.44 2dy7A18 HIS 224 HA 0.14 0.17 0.70 -0.75 4.63 4.90 2dy7A18 HIS 224 HB2 0.09 0.03 0.13 -0.04 3.26 3.47 2dy7A18 HIS 224 HB3 0.09 0.29 -0.12 -0.04 3.20 3.42 2dy7A18 HIS 224 HD2 0.05 0.15 -0.07 -0.04 6.97 7.05 2dy7A18 HIS 224 HE1 0.03 -0.04 -0.03 -0.04 7.75 7.67 2dy7A18 ASN 225 H 0.16 0.24 -0.11 -0.55 8.53 8.28 2dy7A18 ASN 225 HA 0.20 0.12 0.62 -0.75 4.76 4.94 2dy7A18 ASN 225 HB2 0.04 -0.03 -0.12 -0.04 2.88 2.74 2dy7A18 ASN 225 HB3 0.17 0.18 -0.09 -0.04 2.79 3.01 2dy7A18 ASN 225 HD21 0.21 0.09 -0.13 -0.04 7.03 7.15 2dy7A18 ASN 225 HD22 0.01 0.00 -0.07 -0.04 7.74 7.64 2dy7A18 THR 226 H 0.16 0.42 0.19 -0.55 8.28 8.50 2dy7A18 THR 226 HA 0.24 0.15 0.63 -0.75 4.39 4.66 2dy7A18 THR 226 HB 0.19 0.01 0.03 -0.04 4.32 4.51 2dy7A18 THR 226 HG23 0.13 0.04 -0.31 -0.04 1.22 1.04 2dy7A18 TRP 227 H 0.42 0.22 0.09 -0.55 7.97 8.15 2dy7A18 TRP 227 HA 0.12 0.16 0.80 -0.75 4.62 4.94 2dy7A18 TRP 227 HB2 0.06 0.01 0.14 -0.04 3.23 3.40 2dy7A18 TRP 227 HB3 0.07 0.02 -0.05 -0.04 3.23 3.23 2dy7A18 TRP 227 HD1 0.05 -0.01 -0.16 -0.04 7.22 7.05 2dy7A18 TRP 227 HE1 0.02 0.05 -0.15 -0.04 10.20 10.07 2dy7A18 TRP 227 HE3 0.03 -0.00 -0.31 -0.04 7.59 7.26 2dy7A18 TRP 227 HZ2 -0.01 0.06 -0.14 -0.04 7.44 7.31 2dy7A18 TRP 227 HZ3 -0.05 -0.12 -0.35 -0.04 7.13 6.57 2dy7A18 TRP 227 HH2 -0.05 0.08 -0.21 -0.04 7.19 6.97 2dy7A18 GLU 228 H 0.18 0.49 0.24 -0.55 8.60 8.97 2dy7A18 GLU 228 HA 0.23 0.23 0.81 -0.75 4.29 4.81 2dy7A18 GLU 228 HB2 0.29 0.02 -0.02 -0.04 2.09 2.34 2dy7A18 GLU 228 HB3 0.27 -0.06 0.04 -0.04 1.99 2.20 2dy7A18 GLU 228 HG2 0.33 -0.07 -0.65 -0.04 2.34 1.91 2dy7A18 GLU 228 HG3 0.81 0.03 -0.13 -0.04 2.34 3.01 2dy7A18 THR 229 H 0.19 0.20 0.16 -0.55 8.28 8.28 2dy7A18 THR 229 HA 0.39 0.25 0.88 -0.75 4.39 5.16 2dy7A18 THR 229 HB 0.23 0.01 0.05 -0.04 4.32 4.58 2dy7A18 THR 229 HG23 0.24 0.06 -0.15 -0.04 1.22 1.33 2dy7A18 TYR 230 H 0.48 0.39 0.14 -0.55 8.29 8.74 2dy7A18 TYR 230 HA -0.01 -0.01 0.25 -0.75 4.56 4.04 2dy7A18 TYR 230 HB2 0.08 0.12 0.19 -0.04 3.06 3.40 2dy7A18 TYR 230 HB3 0.03 0.09 0.00 -0.04 2.98 3.06 2dy7A18 TYR 230 HD2 -0.09 0.04 0.00 -0.04 7.15 7.07 2dy7A18 TYR 230 HE2 -0.60 0.03 -0.08 -0.04 6.85 6.17 2dy7A18 GLU 231 H 0.21 0.12 -0.38 -0.55 8.60 8.00 2dy7A18 GLU 231 HA 0.10 0.10 0.37 -0.75 4.29 4.12 2dy7A18 GLU 231 HB2 0.11 0.04 0.08 -0.04 2.09 2.29 2dy7A18 GLU 231 HB3 0.11 -0.02 -0.03 -0.04 1.99 2.00 2dy7A18 GLU 231 HG2 0.06 0.03 0.18 -0.04 2.34 2.57 2dy7A18 GLU 231 HG3 0.07 0.03 0.06 -0.04 2.34 2.45 2dy7A18 SER 232 H 0.11 0.71 -0.47 -0.55 8.46 8.26 2dy7A18 SER 232 HA 0.06 0.24 0.88 -0.75 4.49 4.92 2dy7A18 SER 232 HB2 0.12 -0.23 0.14 -0.04 3.95 3.95 2dy7A18 SER 232 HB3 0.07 0.03 0.05 -0.04 3.93 4.04 2dy7A18 ILE 233 H 0.06 0.42 0.12 -0.55 8.25 8.30 2dy7A18 ILE 233 HA 0.20 0.26 0.80 -0.75 4.18 4.69 2dy7A18 ILE 233 HB 0.33 0.08 -0.05 -0.04 1.89 2.21 2dy7A18 ILE 233 HG12 -0.39 -0.00 -0.34 -0.04 1.49 0.72 2dy7A18 ILE 233 HG13 -0.19 -0.15 0.06 -0.04 1.21 0.88 2dy7A18 ILE 233 HG23 0.08 -0.04 -0.39 -0.04 0.93 0.54 2dy7A18 ILE 233 HD13 -0.33 0.02 -0.20 -0.04 0.88 0.33 2dy7A18 GLY 234 H 0.01 0.43 -0.12 -0.55 8.43 8.21 2dy7A18 GLY 234 HA2 -0.14 -0.07 0.69 -0.51 4.01 3.98 2dy7A18 GLY 234 HA3 0.02 0.16 0.44 -0.51 4.01 4.12 2dy7A18 GLN 235 H -0.00 0.16 -0.62 -0.55 8.47 7.46 2dy7A18 GLN 235 HA -0.01 0.05 0.37 -0.75 4.36 4.01 2dy7A18 GLN 235 HB2 0.00 0.01 0.16 -0.04 2.15 2.27 2dy7A18 GLN 235 HB3 0.01 0.29 -0.25 -0.04 2.02 2.04 2dy7A18 GLN 235 HG2 0.03 -0.11 -0.48 -0.04 2.40 1.80 2dy7A18 GLN 235 HG3 0.03 0.03 -0.13 -0.04 2.39 2.27 2dy7A18 GLN 235 HE21 0.03 0.08 -0.09 -0.04 6.97 6.95 2dy7A18 GLN 235 HE22 0.02 0.01 -0.02 -0.04 7.69 7.65 2dy7A18 VAL 236 H -0.01 -0.12 0.12 -0.55 8.24 7.69 2dy7A18 VAL 236 HA -0.01 0.23 0.54 -0.75 4.13 4.14 2dy7A18 VAL 236 HB 0.21 0.11 0.36 -0.04 2.12 2.75 2dy7A18 VAL 236 HG13 0.08 0.06 0.01 -0.04 0.97 1.08 2dy7A18 VAL 236 HG23 0.19 -0.10 -0.11 -0.04 0.95 0.89 2dy7A18 ARG 237 H -0.03 0.16 0.12 -0.55 8.46 8.15 2dy7A18 ARG 237 HA -0.04 0.05 0.35 -0.75 4.34 3.95 2dy7A18 ARG 237 HB2 0.00 0.00 -0.52 -0.04 1.90 1.34 2dy7A18 ARG 237 HB3 -0.00 0.09 0.32 -0.04 1.80 2.16 2dy7A18 ARG 237 HG2 -0.03 -0.10 0.17 -0.04 1.67 1.68 2dy7A18 ARG 237 HG3 -0.02 0.02 0.03 -0.04 1.67 1.67 2dy7A18 ARG 237 HD2 0.02 0.03 -0.00 -0.04 3.22 3.23 2dy7A18 ARG 237 HD3 0.00 0.09 0.05 -0.04 3.22 3.32 2dy7A18 GLY 238 H -0.05 -0.07 -0.63 -0.55 8.43 7.14 2dy7A18 GLY 238 HA2 -0.22 0.12 0.41 -0.51 4.01 3.82 2dy7A18 GLY 238 HA3 -0.20 0.23 0.33 -0.51 4.01 3.85 2dy7A18 LEU 239 H -0.17 0.13 0.03 -0.55 8.37 7.82 2dy7A18 LEU 239 HA -0.28 0.06 0.27 -0.75 4.35 3.64 2dy7A18 LEU 239 HB2 -0.05 -0.05 -0.01 -0.04 1.64 1.48 2dy7A18 LEU 239 HB3 0.01 0.09 -0.01 -0.04 1.64 1.69 2dy7A18 LEU 239 HG -0.28 0.00 0.11 -0.04 1.64 1.43 2dy7A18 LEU 239 HD13 -0.03 0.04 -0.11 -0.04 0.93 0.79 2dy7A18 LEU 239 HD23 0.19 0.04 0.02 -0.04 0.89 1.10 2dy7A18 LYS 240 H -0.08 0.00 -0.84 -0.55 8.42 6.95 2dy7A18 LYS 240 HA -0.03 0.06 0.42 -0.75 4.32 4.02 2dy7A18 LYS 240 HB2 -0.03 -0.06 0.07 -0.04 1.87 1.80 2dy7A18 LYS 240 HB3 -0.05 0.29 0.21 -0.04 1.79 2.20 2dy7A18 LYS 240 HG2 -0.02 0.03 0.01 -0.04 1.46 1.44 2dy7A18 LYS 240 HG3 -0.03 0.04 -0.26 -0.04 1.46 1.18 2dy7A18 LYS 240 HD2 -0.01 -0.04 0.06 -0.04 1.69 1.65 2dy7A18 LYS 240 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.62 2dy7A18 LYS 240 HE2 -0.01 0.03 -0.01 -0.04 2.99 2.95 2dy7A18 LYS 240 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.91 2dy7A18 ARG 241 H -0.09 0.44 0.13 -0.55 8.46 8.38 2dy7A18 ARG 241 HA -0.03 0.07 0.46 -0.75 4.34 4.09 2dy7A18 ARG 241 HB2 -0.17 -0.03 -0.02 -0.04 1.90 1.63 2dy7A18 ARG 241 HB3 -0.10 0.00 0.00 -0.04 1.80 1.66 2dy7A18 ARG 241 HG2 -0.06 -0.12 0.03 -0.04 1.67 1.48 2dy7A18 ARG 241 HG3 -0.10 0.13 0.10 -0.04 1.67 1.75 2dy7A18 ARG 241 HD2 -0.06 0.04 0.04 -0.04 3.22 3.19 2dy7A18 ARG 241 HD3 -0.11 0.09 -0.17 -0.04 3.22 2.99 2dy7A18 LEU 242 H -0.16 0.96 -0.24 -0.55 8.37 8.39 2dy7A18 LEU 242 HA -0.15 0.06 0.38 -0.75 4.35 3.89 2dy7A18 LEU 242 HB2 -0.38 0.03 -0.30 -0.04 1.64 0.95 2dy7A18 LEU 242 HB3 -0.35 -0.05 -0.16 -0.04 1.64 1.04 2dy7A18 LEU 242 HG -1.08 -0.07 -0.21 -0.04 1.64 0.24 2dy7A18 LEU 242 HD13 -0.56 0.01 -0.14 -0.04 0.93 0.19 2dy7A18 LEU 242 HD23 -0.47 0.00 -0.17 -0.04 0.89 0.21 2dy7A18 ASP 243 H -0.04 0.63 -0.24 -0.55 8.40 8.20 2dy7A18 ASP 243 HA 0.07 -0.04 0.45 -0.75 4.63 4.35 2dy7A18 ASP 243 HB2 0.00 0.20 0.38 -0.04 2.71 3.26 2dy7A18 ASP 243 HB3 0.02 -0.07 0.04 -0.04 2.70 2.64 2dy7A18 ASN 244 H 0.02 0.58 -0.09 -0.55 8.53 8.50 2dy7A18 ASN 244 HA 0.03 0.02 0.38 -0.75 4.76 4.43 2dy7A18 ASN 244 HB2 0.02 0.16 0.18 -0.04 2.88 3.20 2dy7A18 ASN 244 HB3 0.06 0.07 -0.01 -0.04 2.79 2.87 2dy7A18 ASN 244 HD21 0.01 0.01 0.01 -0.04 7.03 7.01 2dy7A18 ASN 244 HD22 0.01 -0.01 0.01 -0.04 7.74 7.71 2dy7A18 TYR 245 H 0.16 0.20 -0.79 -0.55 8.29 7.31 2dy7A18 TYR 245 HA 0.28 0.10 0.47 -0.75 4.56 4.66 2dy7A18 TYR 245 HB2 -0.05 0.05 0.13 -0.04 3.06 3.16 2dy7A18 TYR 245 HB3 -0.04 0.07 0.20 -0.04 2.98 3.16 2dy7A18 TYR 245 HD2 -0.14 0.02 -0.11 -0.04 7.15 6.87 2dy7A18 TYR 245 HE2 -0.65 0.04 -0.21 -0.04 6.85 5.99 2dy7A18 CYS 246 H 0.14 0.53 -0.14 -0.55 8.50 8.48 2dy7A18 CYS 246 HA -0.06 0.06 0.38 -0.75 4.58 4.21 2dy7A18 CYS 246 HB2 0.05 0.18 0.23 -0.04 2.97 3.39 2dy7A18 CYS 246 HB3 0.01 -0.08 -0.05 -0.04 2.97 2.81 2dy7A18 LYS 247 H 0.01 0.47 -0.28 -0.55 8.42 8.07 2dy7A18 LYS 247 HA -0.04 -0.03 0.48 -0.75 4.32 3.97 2dy7A18 LYS 247 HB2 -0.02 -0.08 0.01 -0.04 1.87 1.73 2dy7A18 LYS 247 HB3 -0.00 0.08 0.08 -0.04 1.79 1.90 2dy7A18 LYS 247 HG2 -0.00 0.28 0.05 -0.04 1.46 1.75 2dy7A18 LYS 247 HG3 -0.04 0.03 -0.36 -0.04 1.46 1.05 2dy7A18 LYS 247 HD2 -0.01 -0.06 -0.04 -0.04 1.69 1.54 2dy7A18 LYS 247 HD3 0.00 -0.06 0.00 -0.04 1.68 1.59 2dy7A18 LYS 247 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.90 2dy7A18 LYS 247 HE3 -0.03 0.06 -0.07 -0.04 2.99 2.91 2dy7A18 GLN 248 H -0.01 0.21 -0.41 -0.55 8.47 7.71 2dy7A18 GLN 248 HA -0.23 0.11 0.67 -0.75 4.36 4.16 2dy7A18 GLN 248 HB2 0.01 0.22 0.19 -0.04 2.15 2.54 2dy7A18 GLN 248 HB3 0.06 -0.01 0.08 -0.04 2.02 2.11 2dy7A18 GLN 248 HG2 -0.43 -0.02 0.10 -0.04 2.40 2.00 2dy7A18 GLN 248 HG3 -0.22 0.00 0.13 -0.04 2.39 2.26 2dy7A18 GLN 248 HE21 -0.04 -0.01 0.03 -0.04 6.97 6.92 2dy7A18 GLN 248 HE22 0.02 -0.04 0.01 -0.04 7.69 7.64 2dy7A18 PHE 249 H -0.11 -0.07 -0.40 -0.55 8.34 7.21 2dy7A18 PHE 249 HA -0.13 0.14 0.78 -0.75 4.62 4.64 2dy7A18 PHE 249 HB2 -1.06 0.20 0.02 -0.04 3.15 2.26 2dy7A18 PHE 249 HB3 -0.27 -0.11 0.04 -0.04 3.06 2.68 2dy7A18 PHE 249 HD2 -0.27 0.02 0.00 -0.04 7.28 6.99 2dy7A18 PHE 249 HE2 0.04 -0.06 0.00 -0.04 7.38 7.33 2dy7A18 PHE 249 HZ 0.06 -0.06 0.01 -0.04 7.32 7.28 2dy7A18 ILE 250 H -0.09 0.23 0.13 -0.55 8.25 7.97 2dy7A18 ILE 250 HA -0.03 0.13 1.00 -0.75 4.18 4.53 2dy7A18 ILE 250 HB -0.11 -0.09 0.24 -0.04 1.89 1.89 2dy7A18 ILE 250 HG12 -0.31 -0.12 -0.04 -0.04 1.49 0.98 2dy7A18 ILE 250 HG13 -0.10 0.17 -0.09 -0.04 1.21 1.15 2dy7A18 ILE 250 HG23 -0.10 -0.00 -0.24 -0.04 0.93 0.55 2dy7A18 ILE 250 HD13 -0.74 -0.04 -0.19 -0.04 0.88 -0.13 2dy7A18 ILE 251 H -0.07 0.36 0.44 -0.55 8.25 8.43 2dy7A18 ILE 251 HA -0.04 0.29 0.95 -0.75 4.18 4.64 2dy7A18 ILE 251 HB -0.04 -0.10 -0.00 -0.04 1.89 1.71 2dy7A18 ILE 251 HG12 -0.04 0.25 -0.72 -0.04 1.49 0.93 2dy7A18 ILE 251 HG13 -0.04 0.14 -0.45 -0.04 1.21 0.81 2dy7A18 ILE 251 HG23 -0.03 -0.06 0.23 -0.04 0.93 1.03 2dy7A18 ILE 251 HD13 -0.03 -0.14 -0.23 -0.04 0.88 0.45 2dy7A18 GLU 252 H -0.03 0.09 0.11 -0.55 8.60 8.22 2dy7A18 GLU 252 HA -0.06 0.36 0.73 -0.75 4.29 4.56 2dy7A18 GLU 252 HB2 -0.04 -0.02 0.06 -0.04 2.09 2.05 2dy7A18 GLU 252 HB3 -0.05 0.11 -0.16 -0.04 1.99 1.85 2dy7A18 GLU 252 HG2 -0.03 -0.00 0.04 -0.04 2.34 2.31 2dy7A18 GLU 252 HG3 -0.02 -0.03 0.08 -0.04 2.34 2.32