============================================================================= 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 10.190 1.311 -8.588 -99.200 -91.000 HIS 6 0.900 13.798 3.277 -1.816 -99.200 -91.000 HIS 14 0.900 -7.742 -7.805 2.488 -99.200 -91.000 TYR 40 0.840 -12.082 -4.127 2.759 -99.200 -91.000 PHE 42 1.000 -6.116 -3.358 -0.001 -99.200 -91.000 TRP 46 1.040 5.219 0.022 2.302 -99.200 -91.000 TRP6 46 1.020 4.547 1.093 0.263 -99.200 -91.000 HIS 51 0.900 15.288 4.050 9.668 -99.200 -91.000 HIS 53 0.900 10.026 -6.143 8.126 -99.200 -91.000 TRP 56 1.040 -1.511 -3.029 8.461 -99.200 -91.000 TRP6 56 1.020 -3.269 -4.419 7.617 -99.200 -91.000 TYR 59 0.840 -6.238 -0.318 -3.641 -99.200 -91.000 TYR 74 0.840 -3.751 -8.643 -0.219 -99.200 -91.000 PHE 78 1.000 -3.892 -12.934 -0.116 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dy7A12 GLN 172 HA 0.05 -0.06 0.23 -0.75 4.36 3.82 2dy7A12 GLN 172 HB2 0.04 -0.08 0.07 -0.04 2.15 2.14 2dy7A12 GLN 172 HB3 0.07 0.02 0.10 -0.04 2.02 2.17 2dy7A12 GLN 172 HG2 0.15 0.05 -0.03 -0.04 2.40 2.54 2dy7A12 GLN 172 HG3 0.07 0.01 0.03 -0.04 2.39 2.46 2dy7A12 GLN 172 HE21 0.03 0.03 0.03 -0.04 6.97 7.02 2dy7A12 GLN 172 HE22 0.03 -0.05 0.01 -0.04 7.69 7.64 2dy7A12 PRO 173 HA 0.03 0.05 0.43 -0.51 4.44 4.43 2dy7A12 PRO 173 HB2 0.04 -0.04 0.03 -0.04 2.28 2.28 2dy7A12 PRO 173 HB3 0.03 0.01 0.10 -0.04 2.02 2.12 2dy7A12 PRO 173 HG2 0.05 0.01 0.01 -0.04 2.03 2.05 2dy7A12 PRO 173 HG3 0.03 0.01 0.06 -0.04 2.03 2.08 2dy7A12 PRO 173 HD2 0.05 0.06 0.16 -0.04 3.68 3.91 2dy7A12 PRO 173 HD3 0.03 0.15 0.14 -0.04 3.65 3.93 2dy7A12 GLU 174 H 0.03 0.03 0.10 -0.55 8.60 8.22 2dy7A12 GLU 174 HA 0.05 -0.11 0.42 -0.75 4.29 3.90 2dy7A12 GLU 174 HB2 0.11 -0.06 -0.53 -0.04 2.09 1.57 2dy7A12 GLU 174 HB3 0.30 0.14 0.07 -0.04 1.99 2.46 2dy7A12 GLU 174 HG2 0.18 0.01 -0.04 -0.04 2.34 2.45 2dy7A12 GLU 174 HG3 0.13 -0.13 0.08 -0.04 2.34 2.38 2dy7A12 ASP 175 H -0.06 -0.00 0.15 -0.55 8.40 7.94 2dy7A12 ASP 175 HA -0.61 0.26 0.70 -0.75 4.63 4.23 2dy7A12 ASP 175 HB2 -0.21 -0.06 0.10 -0.04 2.71 2.49 2dy7A12 ASP 175 HB3 -0.32 0.04 0.06 -0.04 2.70 2.44 2dy7A12 PHE 176 H -0.02 -0.13 0.05 -0.55 8.34 7.69 2dy7A12 PHE 176 HA 0.06 -0.01 0.29 -0.75 4.62 4.20 2dy7A12 PHE 176 HB2 0.12 -0.12 0.10 -0.04 3.15 3.21 2dy7A12 PHE 176 HB3 0.06 -0.01 -0.07 -0.04 3.06 2.99 2dy7A12 PHE 176 HD2 0.06 -0.07 -0.57 -0.04 7.28 6.67 2dy7A12 PHE 176 HE2 0.04 0.07 -0.17 -0.04 7.38 7.29 2dy7A12 PHE 176 HZ 0.02 -0.10 -0.15 -0.04 7.32 7.05 2dy7A12 HIS 177 H 0.64 0.10 0.10 -0.55 8.41 8.71 2dy7A12 HIS 177 HA 0.11 0.08 0.72 -0.75 4.63 4.79 2dy7A12 HIS 177 HB2 0.15 -0.02 0.24 -0.04 3.26 3.60 2dy7A12 HIS 177 HB3 0.10 0.04 0.09 -0.04 3.20 3.39 2dy7A12 HIS 177 HD2 0.11 -0.08 -0.01 -0.04 6.97 6.94 2dy7A12 HIS 177 HE1 0.01 0.01 -0.02 -0.04 7.75 7.71 2dy7A12 GLY 178 H 0.04 0.23 0.06 -0.55 8.43 8.22 2dy7A12 GLY 178 HA2 0.46 0.13 0.85 -0.51 4.01 4.93 2dy7A12 GLY 178 HA3 0.31 0.12 0.35 -0.51 4.01 4.28 2dy7A12 ILE 179 H 0.03 0.28 0.13 -0.55 8.25 8.14 2dy7A12 ILE 179 HA -0.67 0.05 0.59 -0.75 4.18 3.40 2dy7A12 ILE 179 HB -0.21 -0.07 -0.01 -0.04 1.89 1.56 2dy7A12 ILE 179 HG12 -0.82 0.00 -0.14 -0.04 1.49 0.49 2dy7A12 ILE 179 HG13 -1.20 0.03 -0.07 -0.04 1.21 -0.08 2dy7A12 ILE 179 HG23 -0.22 0.01 -0.17 -0.04 0.93 0.51 2dy7A12 ILE 179 HD13 -0.39 -0.02 -0.07 -0.04 0.88 0.36 2dy7A12 ASP 180 H -0.40 0.23 0.15 -0.55 8.40 7.84 2dy7A12 ASP 180 HA -0.16 0.14 0.74 -0.75 4.63 4.59 2dy7A12 ASP 180 HB2 -0.14 -0.15 0.05 -0.04 2.71 2.44 2dy7A12 ASP 180 HB3 -0.18 0.15 0.14 -0.04 2.70 2.77 2dy7A12 ILE 181 H -0.34 0.30 0.22 -0.55 8.25 7.89 2dy7A12 ILE 181 HA -0.17 0.14 0.59 -0.75 4.18 3.98 2dy7A12 ILE 181 HB -0.16 -0.06 -0.02 -0.04 1.89 1.61 2dy7A12 ILE 181 HG12 -0.08 0.07 0.10 -0.04 1.49 1.54 2dy7A12 ILE 181 HG13 -0.11 -0.03 -0.73 -0.04 1.21 0.30 2dy7A12 ILE 181 HG23 -0.10 -0.02 -0.20 -0.04 0.93 0.57 2dy7A12 ILE 181 HD13 -0.05 -0.01 -0.07 -0.04 0.88 0.71 2dy7A12 VAL 182 H -0.20 0.24 0.01 -0.55 8.24 7.74 2dy7A12 VAL 182 HA -0.54 0.17 0.77 -0.75 4.13 3.78 2dy7A12 VAL 182 HB -0.45 0.06 0.14 -0.04 2.12 1.82 2dy7A12 VAL 182 HG13 -1.55 -0.00 -0.12 -0.04 0.97 -0.75 2dy7A12 VAL 182 HG23 -0.33 -0.00 -0.27 -0.04 0.95 0.30 2dy7A12 ILE 183 H -0.40 0.28 0.22 -0.55 8.25 7.80 2dy7A12 ILE 183 HA -0.16 0.02 0.32 -0.75 4.18 3.60 2dy7A12 ILE 183 HB -0.36 -0.05 0.05 -0.04 1.89 1.49 2dy7A12 ILE 183 HG12 -0.26 -0.00 0.07 -0.04 1.49 1.26 2dy7A12 ILE 183 HG13 -0.13 -0.01 -0.04 -0.04 1.21 0.98 2dy7A12 ILE 183 HG23 -0.05 0.00 -0.09 -0.04 0.93 0.75 2dy7A12 ILE 183 HD13 -0.09 0.00 -0.04 -0.04 0.88 0.71 2dy7A12 ASN 184 H -0.57 0.20 -0.12 -0.55 8.53 7.49 2dy7A12 ASN 184 HA 0.04 0.16 0.35 -0.75 4.76 4.56 2dy7A12 ASN 184 HB2 -0.02 0.17 -0.55 -0.04 2.88 2.44 2dy7A12 ASN 184 HB3 0.05 -0.08 -0.11 -0.04 2.79 2.61 2dy7A12 ASN 184 HD21 0.17 -0.04 0.00 -0.04 7.03 7.12 2dy7A12 ASN 184 HD22 0.11 0.01 0.06 -0.04 7.74 7.89 2dy7A12 HIS 185 H 0.15 0.34 0.19 -0.55 8.41 8.54 2dy7A12 HIS 185 HA 0.06 -0.07 0.50 -0.75 4.63 4.37 2dy7A12 HIS 185 HB2 -0.86 0.29 0.27 -0.04 3.26 2.92 2dy7A12 HIS 185 HB3 0.09 -0.00 -0.48 -0.04 3.20 2.76 2dy7A12 HIS 185 HD2 0.08 -0.05 -0.19 -0.04 6.97 6.76 2dy7A12 HIS 185 HE1 0.13 0.16 -0.08 -0.04 7.75 7.91 2dy7A12 ARG 186 H 0.18 0.57 0.22 -0.55 8.46 8.89 2dy7A12 ARG 186 HA 0.11 0.06 0.38 -0.75 4.34 4.13 2dy7A12 ARG 186 HB2 -0.13 0.01 0.07 -0.04 1.90 1.81 2dy7A12 ARG 186 HB3 -0.06 0.24 0.33 -0.04 1.80 2.27 2dy7A12 ARG 186 HG2 -0.00 0.02 -0.58 -0.04 1.67 1.07 2dy7A12 ARG 186 HG3 0.18 -0.13 -0.38 -0.04 1.67 1.31 2dy7A12 ARG 186 HD2 -0.48 0.01 -0.22 -0.04 3.22 2.49 2dy7A12 ARG 186 HD3 -0.29 0.04 -0.12 -0.04 3.22 2.81 2dy7A12 LEU 187 H -0.34 0.16 0.17 -0.55 8.37 7.81 2dy7A12 LEU 187 HA -0.82 0.11 0.48 -0.75 4.35 3.37 2dy7A12 LEU 187 HB2 -0.35 0.00 0.24 -0.04 1.64 1.50 2dy7A12 LEU 187 HB3 -0.22 -0.03 0.14 -0.04 1.64 1.49 2dy7A12 LEU 187 HG -0.39 0.12 0.14 -0.04 1.64 1.47 2dy7A12 LEU 187 HD13 -0.13 0.03 0.09 -0.04 0.93 0.89 2dy7A12 LEU 187 HD23 -0.12 0.04 -0.12 -0.04 0.89 0.64 2dy7A12 LYS 188 H -0.15 0.07 -0.00 -0.55 8.42 7.78 2dy7A12 LYS 188 HA -0.01 0.11 0.30 -0.75 4.32 3.96 2dy7A12 LYS 188 HB2 0.06 -0.04 0.04 -0.04 1.87 1.88 2dy7A12 LYS 188 HB3 0.06 -0.03 -0.18 -0.04 1.79 1.61 2dy7A12 LYS 188 HG2 -0.03 -0.01 -0.22 -0.04 1.46 1.15 2dy7A12 LYS 188 HG3 0.01 0.02 -0.18 -0.04 1.46 1.27 2dy7A12 LYS 188 HD2 0.10 -0.09 -0.12 -0.04 1.69 1.55 2dy7A12 LYS 188 HD3 0.05 0.08 -0.06 -0.04 1.68 1.71 2dy7A12 LYS 188 HE2 0.07 -0.02 -0.05 -0.04 2.99 2.95 2dy7A12 LYS 188 HE3 0.12 -0.05 -0.06 -0.04 2.99 2.97 2dy7A12 THR 189 H 0.00 0.10 -0.01 -0.55 8.28 7.83 2dy7A12 THR 189 HA -0.02 0.01 0.31 -0.75 4.39 3.93 2dy7A12 THR 189 HB -0.05 0.11 0.15 -0.04 4.32 4.49 2dy7A12 THR 189 HG23 -0.02 -0.00 -0.13 -0.04 1.22 1.03 2dy7A12 SER 190 H -0.09 0.94 -0.12 -0.55 8.46 8.64 2dy7A12 SER 190 HA -0.13 -0.00 0.25 -0.75 4.49 3.85 2dy7A12 SER 190 HB2 -0.12 -0.13 -0.76 -0.04 3.95 2.90 2dy7A12 SER 190 HB3 -0.10 0.07 0.29 -0.04 3.93 4.16 2dy7A12 LEU 191 H -0.08 0.08 0.01 -0.55 8.37 7.84 2dy7A12 LEU 191 HA -0.05 0.00 0.27 -0.75 4.35 3.82 2dy7A12 LEU 191 HB2 -0.07 -0.01 -0.15 -0.04 1.64 1.37 2dy7A12 LEU 191 HB3 -0.06 0.15 0.02 -0.04 1.64 1.71 2dy7A12 LEU 191 HG -0.04 0.01 0.15 -0.04 1.64 1.73 2dy7A12 LEU 191 HD13 -0.04 0.01 0.04 -0.04 0.93 0.90 2dy7A12 LEU 191 HD23 -0.04 0.00 0.07 -0.04 0.89 0.88 2dy7A12 GLU 192 H -0.04 0.08 0.19 -0.55 8.60 8.28 2dy7A12 GLU 192 HA -0.03 -0.04 0.36 -0.75 4.29 3.83 2dy7A12 GLU 192 HB2 -0.04 0.16 -0.29 -0.04 2.09 1.88 2dy7A12 GLU 192 HB3 -0.03 0.13 0.08 -0.04 1.99 2.13 2dy7A12 GLU 192 HG2 -0.02 -0.02 0.07 -0.04 2.34 2.32 2dy7A12 GLU 192 HG3 -0.02 -0.06 0.17 -0.04 2.34 2.39 2dy7A12 GLU 193 H -0.03 -0.04 -0.65 -0.55 8.60 7.34 2dy7A12 GLU 193 HA -0.01 0.16 0.58 -0.75 4.29 4.26 2dy7A12 GLU 193 HB2 -0.02 0.22 -0.37 -0.04 2.09 1.88 2dy7A12 GLU 193 HB3 -0.02 -0.14 -0.07 -0.04 1.99 1.72 2dy7A12 GLU 193 HG2 -0.01 0.25 0.02 -0.04 2.34 2.55 2dy7A12 GLU 193 HG3 -0.01 -0.03 -0.09 -0.04 2.34 2.18 2dy7A12 GLY 194 H -0.01 0.17 -0.03 -0.55 8.43 8.01 2dy7A12 GLY 194 HA2 -0.01 0.20 0.86 -0.51 4.01 4.55 2dy7A12 GLY 194 HA3 -0.01 0.01 0.34 -0.51 4.01 3.84 2dy7A12 LYS 195 H -0.02 0.22 -0.04 -0.55 8.42 8.03 2dy7A12 LYS 195 HA -0.01 0.18 0.77 -0.75 4.32 4.51 2dy7A12 LYS 195 HB2 -0.01 -0.09 0.05 -0.04 1.87 1.79 2dy7A12 LYS 195 HB3 -0.01 0.03 -0.22 -0.04 1.79 1.55 2dy7A12 LYS 195 HG2 -0.02 0.02 -0.16 -0.04 1.46 1.26 2dy7A12 LYS 195 HG3 -0.02 -0.07 -0.12 -0.04 1.46 1.22 2dy7A12 LYS 195 HD2 -0.02 -0.03 -0.41 -0.04 1.69 1.18 2dy7A12 LYS 195 HD3 -0.03 -0.00 -0.18 -0.04 1.68 1.43 2dy7A12 LYS 195 HE2 -0.05 -0.07 -0.11 -0.04 2.99 2.72 2dy7A12 LYS 195 HE3 -0.03 -0.05 -0.26 -0.04 2.99 2.61 2dy7A12 VAL 196 H -0.00 0.06 0.05 -0.55 8.24 7.79 2dy7A12 VAL 196 HA -0.01 0.21 0.87 -0.75 4.13 4.44 2dy7A12 VAL 196 HB 0.00 -0.16 0.17 -0.04 2.12 2.09 2dy7A12 VAL 196 HG13 0.00 0.06 -0.05 -0.04 0.97 0.94 2dy7A12 VAL 196 HG23 -0.00 0.08 -0.22 -0.04 0.95 0.76 2dy7A12 LEU 197 H 0.01 0.01 0.14 -0.55 8.37 7.98 2dy7A12 LEU 197 HA 0.02 -0.04 0.40 -0.75 4.35 3.97 2dy7A12 LEU 197 HB2 -0.01 0.38 0.12 -0.04 1.64 2.09 2dy7A12 LEU 197 HB3 0.02 -0.03 0.17 -0.04 1.64 1.75 2dy7A12 LEU 197 HG -0.00 -0.36 -0.53 -0.04 1.64 0.71 2dy7A12 LEU 197 HD13 -0.01 0.02 -0.09 -0.04 0.93 0.82 2dy7A12 LEU 197 HD23 0.02 0.00 0.05 -0.04 0.89 0.92 2dy7A12 GLU 198 H 0.05 0.04 0.18 -0.55 8.60 8.32 2dy7A12 GLU 198 HA 0.04 0.04 0.46 -0.75 4.29 4.09 2dy7A12 GLU 198 HB2 0.08 0.01 0.19 -0.04 2.09 2.33 2dy7A12 GLU 198 HB3 0.11 -0.01 0.07 -0.04 1.99 2.12 2dy7A12 GLU 198 HG2 0.05 0.01 0.10 -0.04 2.34 2.45 2dy7A12 GLU 198 HG3 0.05 -0.01 0.05 -0.04 2.34 2.39 2dy7A12 LYS 199 H 0.07 0.04 0.20 -0.55 8.42 8.17 2dy7A12 LYS 199 HA 0.06 0.24 0.89 -0.75 4.32 4.76 2dy7A12 LYS 199 HB2 0.04 -0.06 0.09 -0.04 1.87 1.90 2dy7A12 LYS 199 HB3 0.05 -0.01 0.14 -0.04 1.79 1.93 2dy7A12 LYS 199 HG2 -0.00 -0.04 0.08 -0.04 1.46 1.46 2dy7A12 LYS 199 HG3 -0.00 0.21 -0.16 -0.04 1.46 1.47 2dy7A12 LYS 199 HD2 0.01 0.06 -0.05 -0.04 1.69 1.67 2dy7A12 LYS 199 HD3 0.01 -0.05 0.01 -0.04 1.68 1.61 2dy7A12 LYS 199 HE2 -0.01 -0.04 0.02 -0.04 2.99 2.92 2dy7A12 LYS 199 HE3 -0.02 0.02 0.02 -0.04 2.99 2.97 2dy7A12 THR 200 H 0.13 -0.06 0.06 -0.55 8.28 7.86 2dy7A12 THR 200 HA 0.13 0.28 0.88 -0.75 4.39 4.92 2dy7A12 THR 200 HB 0.06 -0.01 -0.02 -0.04 4.32 4.32 2dy7A12 THR 200 HG23 0.05 0.01 0.04 -0.04 1.22 1.29 2dy7A12 VAL 201 H 0.05 0.22 0.03 -0.55 8.24 7.98 2dy7A12 VAL 201 HA -0.02 -0.00 0.66 -0.75 4.13 4.02 2dy7A12 VAL 201 HB -0.19 -0.01 0.02 -0.04 2.12 1.90 2dy7A12 VAL 201 HG13 -0.71 -0.03 -0.39 -0.04 0.97 -0.21 2dy7A12 VAL 201 HG23 0.02 0.01 0.09 -0.04 0.95 1.03 2dy7A12 PRO 202 HA -0.00 0.25 0.70 -0.51 4.44 4.88 2dy7A12 PRO 202 HB2 0.00 0.01 0.01 -0.04 2.28 2.27 2dy7A12 PRO 202 HB3 0.01 0.05 0.09 -0.04 2.02 2.13 2dy7A12 PRO 202 HG2 0.01 -0.04 0.09 -0.04 2.03 2.06 2dy7A12 PRO 202 HG3 0.02 0.06 0.05 -0.04 2.03 2.12 2dy7A12 PRO 202 HD2 0.01 -0.06 0.22 -0.04 3.68 3.81 2dy7A12 PRO 202 HD3 0.03 0.15 -0.01 -0.04 3.65 3.78 2dy7A12 ASP 203 H -0.00 0.03 0.08 -0.55 8.40 7.96 2dy7A12 ASP 203 HA -0.01 0.30 0.83 -0.75 4.63 4.99 2dy7A12 ASP 203 HB2 -0.01 -0.12 0.18 -0.04 2.71 2.71 2dy7A12 ASP 203 HB3 -0.01 0.15 -0.05 -0.04 2.70 2.75 2dy7A12 LEU 204 H -0.02 0.20 0.11 -0.55 8.37 8.12 2dy7A12 LEU 204 HA 0.00 0.16 0.46 -0.75 4.35 4.21 2dy7A12 LEU 204 HB2 -0.03 0.05 0.07 -0.04 1.64 1.69 2dy7A12 LEU 204 HB3 -0.05 0.03 -0.00 -0.04 1.64 1.57 2dy7A12 LEU 204 HG -0.16 -0.04 0.04 -0.04 1.64 1.43 2dy7A12 LEU 204 HD13 0.03 0.01 -0.01 -0.04 0.93 0.92 2dy7A12 LEU 204 HD23 -0.07 0.02 -0.01 -0.04 0.89 0.79 2dy7A12 ASN 205 H -0.01 0.03 -0.19 -0.55 8.53 7.81 2dy7A12 ASN 205 HA -0.02 0.12 0.34 -0.75 4.76 4.46 2dy7A12 ASN 205 HB2 -0.00 -0.02 0.09 -0.04 2.88 2.91 2dy7A12 ASN 205 HB3 0.01 -0.02 0.04 -0.04 2.79 2.78 2dy7A12 ASN 205 HD21 0.01 -0.01 -0.02 -0.04 7.03 6.97 2dy7A12 ASN 205 HD22 0.01 0.04 -0.03 -0.04 7.74 7.72 2dy7A12 ASN 206 H 0.03 0.02 -0.17 -0.55 8.53 7.86 2dy7A12 ASN 206 HA 0.10 0.06 0.29 -0.75 4.76 4.45 2dy7A12 ASN 206 HB2 0.04 -0.11 0.12 -0.04 2.88 2.89 2dy7A12 ASN 206 HB3 0.02 0.06 0.07 -0.04 2.79 2.90 2dy7A12 ASN 206 HD21 0.10 -0.04 0.01 -0.04 7.03 7.05 2dy7A12 ASN 206 HD22 0.06 -0.08 0.02 -0.04 7.74 7.70 2dy7A12 CYS 207 H 0.03 0.13 -0.46 -0.55 8.50 7.65 2dy7A12 CYS 207 HA 0.21 0.13 0.21 -0.75 4.58 4.37 2dy7A12 CYS 207 HB2 0.11 0.01 0.08 -0.04 2.97 3.13 2dy7A12 CYS 207 HB3 0.58 -0.01 -0.06 -0.04 2.97 3.45 2dy7A12 LYS 208 H 0.10 0.41 0.03 -0.55 8.42 8.41 2dy7A12 LYS 208 HA 0.20 -0.10 0.34 -0.75 4.32 4.01 2dy7A12 LYS 208 HB2 -0.39 -0.08 0.08 -0.04 1.87 1.43 2dy7A12 LYS 208 HB3 -0.39 0.02 0.16 -0.04 1.79 1.55 2dy7A12 LYS 208 HG2 -0.03 0.15 0.26 -0.04 1.46 1.80 2dy7A12 LYS 208 HG3 -0.02 0.07 -0.35 -0.04 1.46 1.12 2dy7A12 LYS 208 HD2 -0.05 -0.05 -0.07 -0.04 1.69 1.47 2dy7A12 LYS 208 HD3 -0.13 -0.02 -0.07 -0.04 1.68 1.42 2dy7A12 LYS 208 HE2 -0.23 -0.03 -0.08 -0.04 2.99 2.61 2dy7A12 LYS 208 HE3 -0.11 0.05 -0.60 -0.04 2.99 2.28 2dy7A12 GLU 209 H 0.13 0.36 -0.94 -0.55 8.60 7.61 2dy7A12 GLU 209 HA 0.09 0.01 0.60 -0.75 4.29 4.23 2dy7A12 GLU 209 HB2 0.07 -0.11 0.05 -0.04 2.09 2.07 2dy7A12 GLU 209 HB3 0.06 0.01 0.01 -0.04 1.99 2.03 2dy7A12 GLU 209 HG2 0.11 -0.10 0.17 -0.04 2.34 2.48 2dy7A12 GLU 209 HG3 0.16 0.19 -0.07 -0.04 2.34 2.58 2dy7A12 ASN 210 H 0.28 0.62 -0.04 -0.55 8.53 8.84 2dy7A12 ASN 210 HA 0.13 -0.01 0.52 -0.75 4.76 4.64 2dy7A12 ASN 210 HB2 0.15 0.02 -0.05 -0.04 2.88 2.96 2dy7A12 ASN 210 HB3 0.04 -0.07 0.21 -0.04 2.79 2.94 2dy7A12 ASN 210 HD21 0.03 -0.08 0.05 -0.04 7.03 6.99 2dy7A12 ASN 210 HD22 0.04 -0.05 0.06 -0.04 7.74 7.75 2dy7A12 TYR 211 H 0.31 0.22 0.11 -0.55 8.29 8.38 2dy7A12 TYR 211 HA 0.05 -0.03 0.62 -0.75 4.56 4.45 2dy7A12 TYR 211 HB2 0.24 0.07 -0.13 -0.04 3.06 3.20 2dy7A12 TYR 211 HB3 -0.07 -0.01 -0.18 -0.04 2.98 2.67 2dy7A12 TYR 211 HD2 0.08 0.06 -0.22 -0.04 7.15 7.03 2dy7A12 TYR 211 HE2 0.09 0.03 -0.12 -0.04 6.85 6.81 2dy7A12 GLU 212 H -0.00 0.81 0.21 -0.55 8.60 9.06 2dy7A12 GLU 212 HA 0.23 0.11 0.91 -0.75 4.29 4.79 2dy7A12 GLU 212 HB2 0.10 0.17 -0.07 -0.04 2.09 2.25 2dy7A12 GLU 212 HB3 0.45 -0.03 -0.13 -0.04 1.99 2.24 2dy7A12 GLU 212 HG2 0.23 0.21 -0.18 -0.04 2.34 2.56 2dy7A12 GLU 212 HG3 0.14 -0.14 -0.12 -0.04 2.34 2.17 2dy7A12 PHE 213 H 0.26 0.63 0.23 -0.55 8.34 8.91 2dy7A12 PHE 213 HA -0.10 0.17 1.03 -0.75 4.62 4.96 2dy7A12 PHE 213 HB2 -0.31 -0.12 -0.05 -0.04 3.15 2.63 2dy7A12 PHE 213 HB3 -0.51 0.06 -0.11 -0.04 3.06 2.47 2dy7A12 PHE 213 HD2 -0.22 -0.00 -0.20 -0.04 7.28 6.81 2dy7A12 PHE 213 HE2 0.15 0.05 -0.22 -0.04 7.38 7.32 2dy7A12 PHE 213 HZ 0.26 -0.07 -0.19 -0.04 7.32 7.28 2dy7A12 LEU 214 H -1.11 0.76 0.04 -0.55 8.37 7.51 2dy7A12 LEU 214 HA -1.41 0.09 0.45 -0.75 4.35 2.73 2dy7A12 LEU 214 HB2 -2.83 0.04 -0.11 -0.04 1.64 -1.29 2dy7A12 LEU 214 HB3 -0.89 -0.27 0.15 -0.04 1.64 0.60 2dy7A12 LEU 214 HG -0.47 -0.07 -0.20 -0.04 1.64 0.86 2dy7A12 LEU 214 HD13 -0.96 0.01 -0.36 -0.04 0.93 -0.42 2dy7A12 LEU 214 HD23 0.14 0.03 -0.16 -0.04 0.89 0.86 2dy7A12 ILE 215 H -0.34 0.66 0.56 -0.55 8.25 8.59 2dy7A12 ILE 215 HA -0.63 0.10 0.71 -0.75 4.18 3.62 2dy7A12 ILE 215 HB -0.36 -0.01 0.26 -0.04 1.89 1.74 2dy7A12 ILE 215 HG12 -0.13 0.21 0.29 -0.04 1.49 1.81 2dy7A12 ILE 215 HG13 0.01 -0.10 -0.01 -0.04 1.21 1.07 2dy7A12 ILE 215 HG23 -1.79 -0.02 -0.15 -0.04 0.93 -1.07 2dy7A12 ILE 215 HD13 -0.40 -0.02 -0.30 -0.04 0.88 0.12 2dy7A12 LYS 216 H -0.47 0.97 0.50 -0.55 8.42 8.86 2dy7A12 LYS 216 HA -0.21 -0.02 0.62 -0.75 4.32 3.95 2dy7A12 LYS 216 HB2 -0.19 -0.01 0.14 -0.04 1.87 1.76 2dy7A12 LYS 216 HB3 -0.26 0.04 0.38 -0.04 1.79 1.91 2dy7A12 LYS 216 HG2 -0.17 -0.06 -0.05 -0.04 1.46 1.14 2dy7A12 LYS 216 HG3 -0.18 0.04 0.01 -0.04 1.46 1.29 2dy7A12 LYS 216 HD2 -0.11 -0.01 -0.03 -0.04 1.69 1.50 2dy7A12 LYS 216 HD3 -0.09 0.00 -0.06 -0.04 1.68 1.50 2dy7A12 LYS 216 HE2 -0.02 -0.00 -0.02 -0.04 2.99 2.91 2dy7A12 LYS 216 HE3 -0.00 0.02 -0.03 -0.04 2.99 2.93 2dy7A12 TRP 217 H 0.06 0.18 0.40 -0.55 7.97 8.07 2dy7A12 TRP 217 HA -0.10 0.00 0.62 -0.75 4.62 4.39 2dy7A12 TRP 217 HB2 -0.08 0.00 0.14 -0.04 3.23 3.25 2dy7A12 TRP 217 HB3 -0.04 0.06 0.12 -0.04 3.23 3.33 2dy7A12 TRP 217 HD1 -0.08 -0.10 0.20 -0.04 7.22 7.19 2dy7A12 TRP 217 HE1 -0.07 -0.06 0.05 -0.04 10.20 10.08 2dy7A12 TRP 217 HE3 -0.01 0.27 -0.07 -0.04 7.59 7.75 2dy7A12 TRP 217 HZ2 -0.05 -0.07 -0.07 -0.04 7.44 7.21 2dy7A12 TRP 217 HZ3 0.02 -0.01 -0.21 -0.04 7.13 6.88 2dy7A12 TRP 217 HH2 -0.02 -0.05 -0.03 -0.04 7.19 7.06 2dy7A12 THR 218 H 0.15 0.19 0.17 -0.55 8.28 8.24 2dy7A12 THR 218 HA -0.05 0.13 0.59 -0.75 4.39 4.30 2dy7A12 THR 218 HB -0.09 0.06 0.07 -0.04 4.32 4.32 2dy7A12 THR 218 HG23 -0.09 0.02 0.01 -0.04 1.22 1.12 2dy7A12 ASP 219 H -0.06 0.14 0.11 -0.55 8.40 8.04 2dy7A12 ASP 219 HA -0.03 0.03 0.28 -0.75 4.63 4.16 2dy7A12 ASP 219 HB2 0.04 -0.00 0.14 -0.04 2.71 2.85 2dy7A12 ASP 219 HB3 -0.14 -0.01 -0.06 -0.04 2.70 2.45 2dy7A12 GLU 220 H -0.03 0.05 -0.44 -0.55 8.60 7.63 2dy7A12 GLU 220 HA 0.01 0.13 0.39 -0.75 4.29 4.07 2dy7A12 GLU 220 HB2 0.01 -0.03 0.09 -0.04 2.09 2.11 2dy7A12 GLU 220 HB3 -0.03 0.01 -0.07 -0.04 1.99 1.86 2dy7A12 GLU 220 HG2 -0.17 -0.17 0.10 -0.04 2.34 2.06 2dy7A12 GLU 220 HG3 -0.05 0.05 -0.37 -0.04 2.34 1.93 2dy7A12 SER 221 H -0.09 0.64 0.08 -0.55 8.46 8.54 2dy7A12 SER 221 HA -0.09 0.11 0.44 -0.75 4.49 4.19 2dy7A12 SER 221 HB2 -0.41 0.00 0.07 -0.04 3.95 3.57 2dy7A12 SER 221 HB3 -0.15 -0.04 -0.01 -0.04 3.93 3.69 2dy7A12 HIS 222 H -0.01 -0.01 -0.38 -0.55 8.41 7.46 2dy7A12 HIS 222 HA 0.03 0.21 0.80 -0.75 4.63 4.92 2dy7A12 HIS 222 HB2 0.01 -0.10 0.10 -0.04 3.26 3.23 2dy7A12 HIS 222 HB3 0.01 0.02 -0.01 -0.04 3.20 3.19 2dy7A12 HIS 222 HD2 0.00 -0.01 -0.05 -0.04 6.97 6.87 2dy7A12 HIS 222 HE1 0.01 -0.02 -0.02 -0.04 7.75 7.69 2dy7A12 LEU 223 H 0.14 0.08 0.06 -0.55 8.37 8.10 2dy7A12 LEU 223 HA 0.12 0.18 0.81 -0.75 4.35 4.71 2dy7A12 LEU 223 HB2 0.06 -0.07 0.11 -0.04 1.64 1.70 2dy7A12 LEU 223 HB3 0.07 0.05 -0.06 -0.04 1.64 1.65 2dy7A12 LEU 223 HG 0.04 -0.03 -0.04 -0.04 1.64 1.58 2dy7A12 LEU 223 HD13 0.09 0.04 -0.02 -0.04 0.93 1.00 2dy7A12 LEU 223 HD23 0.07 -0.01 -0.20 -0.04 0.89 0.71 2dy7A12 HIS 224 H 0.20 0.20 0.09 -0.55 8.41 8.35 2dy7A12 HIS 224 HA 0.07 0.02 0.62 -0.75 4.63 4.59 2dy7A12 HIS 224 HB2 0.05 0.03 0.07 -0.04 3.26 3.37 2dy7A12 HIS 224 HB3 0.05 0.01 0.17 -0.04 3.20 3.39 2dy7A12 HIS 224 HD2 0.02 0.09 -0.01 -0.04 6.97 7.02 2dy7A12 HIS 224 HE1 0.00 -0.02 -0.03 -0.04 7.75 7.66 2dy7A12 ASN 225 H -0.07 0.14 0.19 -0.55 8.53 8.25 2dy7A12 ASN 225 HA 0.06 -0.03 0.52 -0.75 4.76 4.55 2dy7A12 ASN 225 HB2 0.12 0.27 0.02 -0.04 2.88 3.25 2dy7A12 ASN 225 HB3 -0.05 -0.07 -0.09 -0.04 2.79 2.54 2dy7A12 ASN 225 HD21 -0.18 -0.05 0.22 -0.04 7.03 6.98 2dy7A12 ASN 225 HD22 -0.38 0.07 -0.00 -0.04 7.74 7.39 2dy7A12 THR 226 H 0.14 0.38 0.19 -0.55 8.28 8.43 2dy7A12 THR 226 HA 0.24 0.18 0.61 -0.75 4.39 4.66 2dy7A12 THR 226 HB 0.19 0.01 -0.06 -0.04 4.32 4.41 2dy7A12 THR 226 HG23 0.11 0.02 -0.29 -0.04 1.22 1.02 2dy7A12 TRP 227 H 0.44 0.22 0.07 -0.55 7.97 8.14 2dy7A12 TRP 227 HA 0.07 0.12 0.70 -0.75 4.62 4.76 2dy7A12 TRP 227 HB2 0.04 0.02 0.14 -0.04 3.23 3.38 2dy7A12 TRP 227 HB3 0.03 0.03 -0.06 -0.04 3.23 3.18 2dy7A12 TRP 227 HD1 0.04 0.01 -0.13 -0.04 7.22 7.09 2dy7A12 TRP 227 HE1 0.01 0.05 -0.15 -0.04 10.20 10.07 2dy7A12 TRP 227 HE3 -0.03 -0.01 -0.37 -0.04 7.59 7.14 2dy7A12 TRP 227 HZ2 -0.03 0.05 -0.16 -0.04 7.44 7.26 2dy7A12 TRP 227 HZ3 -0.09 -0.10 -0.42 -0.04 7.13 6.48 2dy7A12 TRP 227 HH2 -0.07 0.09 -0.22 -0.04 7.19 6.95 2dy7A12 GLU 228 H 0.13 0.39 0.27 -0.55 8.60 8.84 2dy7A12 GLU 228 HA 0.20 0.22 0.77 -0.75 4.29 4.73 2dy7A12 GLU 228 HB2 0.26 -0.00 -0.01 -0.04 2.09 2.30 2dy7A12 GLU 228 HB3 0.26 -0.06 0.03 -0.04 1.99 2.17 2dy7A12 GLU 228 HG2 0.33 -0.10 -0.58 -0.04 2.34 1.95 2dy7A12 GLU 228 HG3 0.90 0.03 -0.07 -0.04 2.34 3.15 2dy7A12 THR 229 H 0.15 0.20 0.14 -0.55 8.28 8.23 2dy7A12 THR 229 HA 0.21 0.25 0.87 -0.75 4.39 4.97 2dy7A12 THR 229 HB 0.19 -0.04 0.04 -0.04 4.32 4.47 2dy7A12 THR 229 HG23 0.18 0.06 -0.09 -0.04 1.22 1.33 2dy7A12 TYR 230 H 0.13 0.38 0.14 -0.55 8.29 8.39 2dy7A12 TYR 230 HA 0.03 -0.02 0.25 -0.75 4.56 4.07 2dy7A12 TYR 230 HB2 0.11 0.12 0.16 -0.04 3.06 3.41 2dy7A12 TYR 230 HB3 0.04 0.06 0.04 -0.04 2.98 3.07 2dy7A12 TYR 230 HD2 0.09 0.04 0.00 -0.04 7.15 7.24 2dy7A12 TYR 230 HE2 -0.04 -0.01 -0.14 -0.04 6.85 6.61 2dy7A12 GLU 231 H 0.21 0.09 -0.52 -0.55 8.60 7.84 2dy7A12 GLU 231 HA 0.11 0.10 0.39 -0.75 4.29 4.14 2dy7A12 GLU 231 HB2 0.13 0.00 0.07 -0.04 2.09 2.25 2dy7A12 GLU 231 HB3 0.10 0.01 -0.06 -0.04 1.99 2.01 2dy7A12 GLU 231 HG2 0.07 0.02 0.13 -0.04 2.34 2.52 2dy7A12 GLU 231 HG3 0.08 0.03 0.04 -0.04 2.34 2.45 2dy7A12 SER 232 H 0.13 0.82 -0.34 -0.55 8.46 8.53 2dy7A12 SER 232 HA 0.07 0.24 0.85 -0.75 4.49 4.90 2dy7A12 SER 232 HB2 0.12 -0.22 0.10 -0.04 3.95 3.91 2dy7A12 SER 232 HB3 0.06 0.03 0.09 -0.04 3.93 4.08 2dy7A12 ILE 233 H 0.12 0.26 0.06 -0.55 8.25 8.14 2dy7A12 ILE 233 HA 0.27 0.26 0.81 -0.75 4.18 4.77 2dy7A12 ILE 233 HB 0.38 0.09 -0.05 -0.04 1.89 2.27 2dy7A12 ILE 233 HG12 -0.11 -0.01 -0.29 -0.04 1.49 1.04 2dy7A12 ILE 233 HG13 -0.07 -0.13 0.08 -0.04 1.21 1.05 2dy7A12 ILE 233 HG23 0.05 -0.04 -0.45 -0.04 0.93 0.46 2dy7A12 ILE 233 HD13 -0.34 0.02 -0.19 -0.04 0.88 0.33 2dy7A12 GLY 234 H 0.13 0.39 -0.07 -0.55 8.43 8.33 2dy7A12 GLY 234 HA2 0.13 -0.06 0.74 -0.51 4.01 4.31 2dy7A12 GLY 234 HA3 0.14 0.17 0.45 -0.51 4.01 4.26 2dy7A12 GLN 235 H 0.10 0.11 -0.49 -0.55 8.47 7.65 2dy7A12 GLN 235 HA 0.05 0.07 0.35 -0.75 4.36 4.08 2dy7A12 GLN 235 HB2 0.03 0.02 0.16 -0.04 2.15 2.32 2dy7A12 GLN 235 HB3 0.05 0.30 -0.07 -0.04 2.02 2.26 2dy7A12 GLN 235 HG2 0.06 0.04 -0.41 -0.04 2.40 2.05 2dy7A12 GLN 235 HG3 0.09 -0.08 -0.42 -0.04 2.39 1.94 2dy7A12 GLN 235 HE21 0.04 0.06 -0.11 -0.04 6.97 6.93 2dy7A12 GLN 235 HE22 0.02 0.00 -0.03 -0.04 7.69 7.64 2dy7A12 VAL 236 H 0.09 -0.13 0.11 -0.55 8.24 7.77 2dy7A12 VAL 236 HA 0.09 0.27 0.59 -0.75 4.13 4.33 2dy7A12 VAL 236 HB 0.31 0.09 0.28 -0.04 2.12 2.76 2dy7A12 VAL 236 HG13 0.11 0.02 -0.21 -0.04 0.97 0.85 2dy7A12 VAL 236 HG23 0.29 -0.06 -0.06 -0.04 0.95 1.07 2dy7A12 ARG 237 H 0.09 0.16 0.09 -0.55 8.46 8.24 2dy7A12 ARG 237 HA 0.07 0.06 0.35 -0.75 4.34 4.07 2dy7A12 ARG 237 HB2 0.33 0.02 -0.52 -0.04 1.90 1.69 2dy7A12 ARG 237 HB3 0.12 0.07 0.31 -0.04 1.80 2.26 2dy7A12 ARG 237 HG2 0.04 -0.07 0.16 -0.04 1.67 1.77 2dy7A12 ARG 237 HG3 0.12 -0.02 0.08 -0.04 1.67 1.80 2dy7A12 ARG 237 HD2 0.22 0.08 -0.01 -0.04 3.22 3.47 2dy7A12 ARG 237 HD3 0.16 0.05 -0.01 -0.04 3.22 3.38 2dy7A12 GLY 238 H 0.07 -0.09 -0.65 -0.55 8.43 7.21 2dy7A12 GLY 238 HA2 -0.15 0.12 0.42 -0.51 4.01 3.88 2dy7A12 GLY 238 HA3 -0.08 0.21 0.34 -0.51 4.01 3.97 2dy7A12 LEU 239 H 0.03 0.14 0.05 -0.55 8.37 8.04 2dy7A12 LEU 239 HA 0.09 0.05 0.25 -0.75 4.35 3.99 2dy7A12 LEU 239 HB2 0.04 -0.07 0.02 -0.04 1.64 1.59 2dy7A12 LEU 239 HB3 0.04 0.09 -0.04 -0.04 1.64 1.69 2dy7A12 LEU 239 HG 0.16 -0.01 0.09 -0.04 1.64 1.85 2dy7A12 LEU 239 HD13 0.07 0.01 -0.02 -0.04 0.93 0.95 2dy7A12 LEU 239 HD23 0.11 0.02 0.01 -0.04 0.89 0.98 2dy7A12 LYS 240 H 0.00 -0.01 -0.99 -0.55 8.42 6.87 2dy7A12 LYS 240 HA 0.00 0.06 0.41 -0.75 4.32 4.03 2dy7A12 LYS 240 HB2 0.01 -0.10 0.07 -0.04 1.87 1.82 2dy7A12 LYS 240 HB3 -0.01 0.29 0.24 -0.04 1.79 2.27 2dy7A12 LYS 240 HG2 0.01 0.06 0.03 -0.04 1.46 1.52 2dy7A12 LYS 240 HG3 -0.01 0.03 -0.14 -0.04 1.46 1.30 2dy7A12 LYS 240 HD2 0.00 -0.05 0.05 -0.04 1.69 1.65 2dy7A12 LYS 240 HD3 0.01 -0.05 0.02 -0.04 1.68 1.61 2dy7A12 LYS 240 HE2 0.01 0.01 0.00 -0.04 2.99 2.96 2dy7A12 LYS 240 HE3 0.00 0.06 -0.01 -0.04 2.99 3.00 2dy7A12 ARG 241 H -0.05 0.45 0.14 -0.55 8.46 8.44 2dy7A12 ARG 241 HA -0.02 0.07 0.44 -0.75 4.34 4.08 2dy7A12 ARG 241 HB2 -0.16 -0.05 -0.01 -0.04 1.90 1.63 2dy7A12 ARG 241 HB3 -0.10 -0.01 -0.02 -0.04 1.80 1.64 2dy7A12 ARG 241 HG2 -0.05 -0.10 0.05 -0.04 1.67 1.53 2dy7A12 ARG 241 HG3 -0.09 0.12 0.10 -0.04 1.67 1.75 2dy7A12 ARG 241 HD2 -0.10 0.16 0.04 -0.04 3.22 3.28 2dy7A12 ARG 241 HD3 -0.11 0.04 -0.13 -0.04 3.22 2.97 2dy7A12 LEU 242 H -0.10 1.04 -0.18 -0.55 8.37 8.58 2dy7A12 LEU 242 HA -0.19 0.04 0.33 -0.75 4.35 3.77 2dy7A12 LEU 242 HB2 -0.25 0.05 -0.34 -0.04 1.64 1.06 2dy7A12 LEU 242 HB3 -0.07 -0.03 -0.17 -0.04 1.64 1.33 2dy7A12 LEU 242 HG -1.02 -0.07 -0.20 -0.04 1.64 0.31 2dy7A12 LEU 242 HD13 -0.97 0.01 -0.13 -0.04 0.93 -0.19 2dy7A12 LEU 242 HD23 -0.58 0.00 -0.17 -0.04 0.89 0.10 2dy7A12 ASP 243 H -0.00 0.55 -0.41 -0.55 8.40 7.99 2dy7A12 ASP 243 HA 0.03 -0.05 0.45 -0.75 4.63 4.30 2dy7A12 ASP 243 HB2 0.01 0.25 0.40 -0.04 2.71 3.32 2dy7A12 ASP 243 HB3 0.00 -0.08 0.03 -0.04 2.70 2.62 2dy7A12 ASN 244 H 0.02 0.59 -0.05 -0.55 8.53 8.55 2dy7A12 ASN 244 HA 0.02 0.01 0.36 -0.75 4.76 4.39 2dy7A12 ASN 244 HB2 0.02 0.11 0.16 -0.04 2.88 3.13 2dy7A12 ASN 244 HB3 0.05 0.07 0.00 -0.04 2.79 2.87 2dy7A12 ASN 244 HD21 -0.00 -0.00 0.01 -0.04 7.03 7.00 2dy7A12 ASN 244 HD22 0.03 0.02 -0.02 -0.04 7.74 7.74 2dy7A12 TYR 245 H 0.15 0.18 -0.93 -0.55 8.29 7.15 2dy7A12 TYR 245 HA 0.32 0.12 0.52 -0.75 4.56 4.77 2dy7A12 TYR 245 HB2 -0.02 0.04 0.08 -0.04 3.06 3.12 2dy7A12 TYR 245 HB3 -0.06 0.08 0.18 -0.04 2.98 3.13 2dy7A12 TYR 245 HD2 -0.08 0.01 -0.13 -0.04 7.15 6.90 2dy7A12 TYR 245 HE2 -0.64 0.06 -0.22 -0.04 6.85 6.00 2dy7A12 CYS 246 H 0.17 0.64 0.00 -0.55 8.50 8.77 2dy7A12 CYS 246 HA 0.00 0.07 0.33 -0.75 4.58 4.22 2dy7A12 CYS 246 HB2 0.07 0.16 0.22 -0.04 2.97 3.38 2dy7A12 CYS 246 HB3 0.04 -0.08 -0.07 -0.04 2.97 2.81 2dy7A12 LYS 247 H 0.01 0.51 -0.39 -0.55 8.42 7.99 2dy7A12 LYS 247 HA -0.05 -0.06 0.38 -0.75 4.32 3.85 2dy7A12 LYS 247 HB2 -0.03 -0.11 -0.02 -0.04 1.87 1.66 2dy7A12 LYS 247 HB3 -0.01 0.08 0.02 -0.04 1.79 1.83 2dy7A12 LYS 247 HG2 -0.01 0.10 0.06 -0.04 1.46 1.57 2dy7A12 LYS 247 HG3 -0.05 0.06 -0.40 -0.04 1.46 1.03 2dy7A12 LYS 247 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.65 2dy7A12 LYS 247 HD3 -0.03 -0.04 -0.05 -0.04 1.68 1.52 2dy7A12 LYS 247 HE2 -0.00 0.19 -0.30 -0.04 2.99 2.84 2dy7A12 LYS 247 HE3 -0.01 -0.02 -0.13 -0.04 2.99 2.79 2dy7A12 GLN 248 H -0.06 0.18 -0.49 -0.55 8.47 7.55 2dy7A12 GLN 248 HA -0.26 0.10 0.67 -0.75 4.36 4.11 2dy7A12 GLN 248 HB2 -0.08 0.19 0.20 -0.04 2.15 2.41 2dy7A12 GLN 248 HB3 -0.19 -0.01 0.11 -0.04 2.02 1.90 2dy7A12 GLN 248 HG2 -0.59 -0.03 0.08 -0.04 2.40 1.82 2dy7A12 GLN 248 HG3 -0.33 -0.01 0.16 -0.04 2.39 2.17 2dy7A12 GLN 248 HE21 0.10 0.02 -0.01 -0.04 6.97 7.04 2dy7A12 GLN 248 HE22 0.02 -0.06 -0.00 -0.04 7.69 7.60 2dy7A12 PHE 249 H -0.16 -0.02 -0.34 -0.55 8.34 7.27 2dy7A12 PHE 249 HA -0.15 0.15 0.80 -0.75 4.62 4.68 2dy7A12 PHE 249 HB2 -1.11 0.15 -0.04 -0.04 3.15 2.10 2dy7A12 PHE 249 HB3 -0.31 -0.09 -0.00 -0.04 3.06 2.62 2dy7A12 PHE 249 HD2 -0.40 -0.00 0.03 -0.04 7.28 6.87 2dy7A12 PHE 249 HE2 0.03 -0.06 -0.00 -0.04 7.38 7.31 2dy7A12 PHE 249 HZ 0.04 -0.05 -0.01 -0.04 7.32 7.26 2dy7A12 ILE 250 H -0.09 0.17 0.06 -0.55 8.25 7.84 2dy7A12 ILE 250 HA -0.01 0.17 0.98 -0.75 4.18 4.57 2dy7A12 ILE 250 HB -0.07 -0.07 0.19 -0.04 1.89 1.90 2dy7A12 ILE 250 HG12 -0.27 -0.10 -0.08 -0.04 1.49 1.00 2dy7A12 ILE 250 HG13 -0.12 0.21 -0.21 -0.04 1.21 1.05 2dy7A12 ILE 250 HG23 -0.07 -0.01 -0.26 -0.04 0.93 0.55 2dy7A12 ILE 250 HD13 -0.58 -0.04 -0.20 -0.04 0.88 0.02 2dy7A12 ILE 251 H -0.06 0.21 0.28 -0.55 8.25 8.13 2dy7A12 ILE 251 HA -0.03 0.26 0.82 -0.75 4.18 4.48 2dy7A12 ILE 251 HB -0.03 -0.11 0.05 -0.04 1.89 1.75 2dy7A12 ILE 251 HG12 -0.03 0.25 -0.88 -0.04 1.49 0.79 2dy7A12 ILE 251 HG13 -0.03 0.17 -0.54 -0.04 1.21 0.76 2dy7A12 ILE 251 HG23 -0.02 -0.04 0.23 -0.04 0.93 1.06 2dy7A12 ILE 251 HD13 -0.02 -0.05 -0.33 -0.04 0.88 0.44 2dy7A12 GLU 252 H -0.03 0.07 0.11 -0.55 8.60 8.20 2dy7A12 GLU 252 HA -0.06 0.39 0.77 -0.75 4.29 4.64 2dy7A12 GLU 252 HB2 -0.03 -0.05 0.09 -0.04 2.09 2.05 2dy7A12 GLU 252 HB3 -0.04 0.02 0.06 -0.04 1.99 1.99 2dy7A12 GLU 252 HG2 -0.04 0.27 -0.68 -0.04 2.34 1.85 2dy7A12 GLU 252 HG3 -0.03 -0.04 -0.16 -0.04 2.34 2.07