============================================================================= 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 10.771 3.951 -8.891 -99.200 -91.000 HIS 6 0.900 12.188 -3.905 -5.948 -99.200 -91.000 HIS 14 0.900 -7.697 -7.758 2.521 -99.200 -91.000 TYR 40 0.840 -12.118 -4.201 2.829 -99.200 -91.000 PHE 42 1.000 -6.086 -3.378 0.060 -99.200 -91.000 TRP 46 1.040 5.384 -0.126 2.211 -99.200 -91.000 TRP6 46 1.020 4.654 0.884 0.159 -99.200 -91.000 HIS 51 0.900 9.602 5.099 5.331 -99.200 -91.000 HIS 53 0.900 12.217 -4.366 8.632 -99.200 -91.000 TRP 56 1.040 -1.535 -2.864 8.504 -99.200 -91.000 TRP6 56 1.020 -3.281 -4.295 7.709 -99.200 -91.000 TYR 59 0.840 -6.167 -0.398 -3.976 -99.200 -91.000 TYR 74 0.840 -3.617 -8.580 -0.127 -99.200 -91.000 PHE 78 1.000 -3.861 -13.052 -0.193 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dy7A16 GLN 172 HA -0.01 -0.05 0.21 -0.75 4.36 3.76 2dy7A16 GLN 172 HB2 0.01 -0.06 0.05 -0.04 2.15 2.11 2dy7A16 GLN 172 HB3 0.02 -0.05 0.04 -0.04 2.02 1.99 2dy7A16 GLN 172 HG2 -0.02 0.18 -0.11 -0.04 2.40 2.41 2dy7A16 GLN 172 HG3 -0.00 -0.07 -0.00 -0.04 2.39 2.28 2dy7A16 GLN 172 HE21 -0.01 0.04 -0.10 -0.04 6.97 6.86 2dy7A16 GLN 172 HE22 0.07 -0.08 -0.03 -0.04 7.69 7.61 2dy7A16 PRO 173 HA -0.05 0.06 0.42 -0.51 4.44 4.36 2dy7A16 PRO 173 HB2 -0.09 0.05 0.09 -0.04 2.28 2.28 2dy7A16 PRO 173 HB3 -0.05 -0.00 0.11 -0.04 2.02 2.04 2dy7A16 PRO 173 HG2 -0.07 0.06 -0.06 -0.04 2.03 1.92 2dy7A16 PRO 173 HG3 -0.05 0.01 0.04 -0.04 2.03 2.00 2dy7A16 PRO 173 HD2 -0.03 0.08 0.12 -0.04 3.68 3.81 2dy7A16 PRO 173 HD3 -0.03 0.12 0.13 -0.04 3.65 3.83 2dy7A16 GLU 174 H -0.15 0.06 0.15 -0.55 8.60 8.11 2dy7A16 GLU 174 HA -0.45 0.07 0.46 -0.75 4.29 3.62 2dy7A16 GLU 174 HB2 -0.24 -0.02 0.21 -0.04 2.09 2.00 2dy7A16 GLU 174 HB3 -0.60 0.02 0.04 -0.04 1.99 1.41 2dy7A16 GLU 174 HG2 -0.32 -0.02 0.03 -0.04 2.34 1.99 2dy7A16 GLU 174 HG3 -0.08 0.06 0.02 -0.04 2.34 2.30 2dy7A16 ASP 175 H -1.01 0.14 0.08 -0.55 8.40 7.06 2dy7A16 ASP 175 HA -0.25 0.19 0.81 -0.75 4.63 4.63 2dy7A16 ASP 175 HB2 -0.01 0.03 0.06 -0.04 2.71 2.76 2dy7A16 ASP 175 HB3 0.02 -0.03 0.22 -0.04 2.70 2.87 2dy7A16 PHE 176 H -0.80 0.25 -0.11 -0.55 8.34 7.14 2dy7A16 PHE 176 HA -0.03 0.10 0.41 -0.75 4.62 4.36 2dy7A16 PHE 176 HB2 0.02 -0.02 -0.03 -0.04 3.15 3.08 2dy7A16 PHE 176 HB3 -0.01 0.24 0.00 -0.04 3.06 3.26 2dy7A16 PHE 176 HD2 0.00 0.07 -0.36 -0.04 7.28 6.95 2dy7A16 PHE 176 HE2 -0.00 0.05 -0.04 -0.04 7.38 7.34 2dy7A16 PHE 176 HZ -0.01 0.06 -0.02 -0.04 7.32 7.31 2dy7A16 HIS 177 H 0.29 0.19 0.04 -0.55 8.41 8.39 2dy7A16 HIS 177 HA 0.12 0.17 0.84 -0.75 4.63 5.00 2dy7A16 HIS 177 HB2 0.10 -0.05 0.11 -0.04 3.26 3.38 2dy7A16 HIS 177 HB3 0.11 0.03 0.11 -0.04 3.20 3.40 2dy7A16 HIS 177 HD2 0.03 -0.02 -0.05 -0.04 6.97 6.88 2dy7A16 HIS 177 HE1 -0.01 0.01 -0.01 -0.04 7.75 7.70 2dy7A16 GLY 178 H 0.37 0.16 -0.08 -0.55 8.43 8.33 2dy7A16 GLY 178 HA2 0.31 0.01 0.37 -0.51 4.01 4.19 2dy7A16 GLY 178 HA3 0.27 0.22 0.48 -0.51 4.01 4.47 2dy7A16 ILE 179 H 0.09 0.21 0.07 -0.55 8.25 8.07 2dy7A16 ILE 179 HA -0.60 0.10 0.53 -0.75 4.18 3.46 2dy7A16 ILE 179 HB -0.19 -0.12 -0.05 -0.04 1.89 1.49 2dy7A16 ILE 179 HG12 -0.80 0.05 -0.15 -0.04 1.49 0.55 2dy7A16 ILE 179 HG13 -1.39 0.03 -0.08 -0.04 1.21 -0.27 2dy7A16 ILE 179 HG23 -0.19 0.02 -0.25 -0.04 0.93 0.47 2dy7A16 ILE 179 HD13 -0.36 -0.01 -0.08 -0.04 0.88 0.38 2dy7A16 ASP 180 H -0.36 0.26 0.14 -0.55 8.40 7.90 2dy7A16 ASP 180 HA -0.13 0.10 0.72 -0.75 4.63 4.56 2dy7A16 ASP 180 HB2 -0.09 -0.10 -0.02 -0.04 2.71 2.46 2dy7A16 ASP 180 HB3 -0.15 0.22 0.11 -0.04 2.70 2.84 2dy7A16 ILE 181 H -0.31 0.40 0.25 -0.55 8.25 8.04 2dy7A16 ILE 181 HA -0.13 0.11 0.56 -0.75 4.18 3.97 2dy7A16 ILE 181 HB -0.14 0.00 -0.05 -0.04 1.89 1.66 2dy7A16 ILE 181 HG12 -0.06 0.03 0.12 -0.04 1.49 1.54 2dy7A16 ILE 181 HG13 -0.10 0.02 -0.60 -0.04 1.21 0.49 2dy7A16 ILE 181 HG23 -0.08 -0.03 -0.24 -0.04 0.93 0.54 2dy7A16 ILE 181 HD13 -0.04 -0.01 -0.06 -0.04 0.88 0.72 2dy7A16 VAL 182 H -0.13 0.24 0.02 -0.55 8.24 7.82 2dy7A16 VAL 182 HA -0.47 0.18 0.89 -0.75 4.13 3.98 2dy7A16 VAL 182 HB -0.38 0.06 0.15 -0.04 2.12 1.91 2dy7A16 VAL 182 HG13 -1.51 -0.00 -0.12 -0.04 0.97 -0.70 2dy7A16 VAL 182 HG23 -0.28 -0.00 -0.28 -0.04 0.95 0.34 2dy7A16 ILE 183 H -0.35 0.25 0.18 -0.55 8.25 7.78 2dy7A16 ILE 183 HA -0.14 0.03 0.33 -0.75 4.18 3.65 2dy7A16 ILE 183 HB -0.34 -0.07 0.05 -0.04 1.89 1.48 2dy7A16 ILE 183 HG12 -0.22 -0.02 0.03 -0.04 1.49 1.24 2dy7A16 ILE 183 HG13 -0.12 -0.01 -0.05 -0.04 1.21 1.00 2dy7A16 ILE 183 HG23 -0.06 -0.00 -0.10 -0.04 0.93 0.73 2dy7A16 ILE 183 HD13 -0.08 0.01 -0.04 -0.04 0.88 0.72 2dy7A16 ASN 184 H -0.51 0.21 -0.09 -0.55 8.53 7.60 2dy7A16 ASN 184 HA 0.09 0.17 0.36 -0.75 4.76 4.62 2dy7A16 ASN 184 HB2 -0.04 0.06 -0.68 -0.04 2.88 2.17 2dy7A16 ASN 184 HB3 0.09 -0.06 -0.08 -0.04 2.79 2.70 2dy7A16 ASN 184 HD21 -0.09 0.23 0.29 -0.04 7.03 7.42 2dy7A16 ASN 184 HD22 -0.01 -0.03 0.12 -0.04 7.74 7.77 2dy7A16 HIS 185 H 0.12 0.34 0.20 -0.55 8.41 8.52 2dy7A16 HIS 185 HA 0.11 -0.08 0.50 -0.75 4.63 4.41 2dy7A16 HIS 185 HB2 -0.86 0.33 0.31 -0.04 3.26 3.00 2dy7A16 HIS 185 HB3 0.16 0.00 -0.47 -0.04 3.20 2.85 2dy7A16 HIS 185 HD2 -0.01 -0.05 -0.18 -0.04 6.97 6.69 2dy7A16 HIS 185 HE1 0.06 0.18 -0.09 -0.04 7.75 7.86 2dy7A16 ARG 186 H 0.23 0.49 0.22 -0.55 8.46 8.84 2dy7A16 ARG 186 HA 0.10 0.08 0.40 -0.75 4.34 4.17 2dy7A16 ARG 186 HB2 -0.12 -0.02 0.09 -0.04 1.90 1.82 2dy7A16 ARG 186 HB3 -0.04 0.24 0.21 -0.04 1.80 2.18 2dy7A16 ARG 186 HG2 -0.14 0.00 -0.49 -0.04 1.67 1.01 2dy7A16 ARG 186 HG3 0.22 -0.12 -0.33 -0.04 1.67 1.39 2dy7A16 ARG 186 HD2 -0.73 -0.06 -0.19 -0.04 3.22 2.20 2dy7A16 ARG 186 HD3 -0.26 0.18 -0.18 -0.04 3.22 2.91 2dy7A16 LEU 187 H -0.27 0.15 0.16 -0.55 8.37 7.86 2dy7A16 LEU 187 HA -0.93 0.17 0.46 -0.75 4.35 3.31 2dy7A16 LEU 187 HB2 -0.28 -0.02 0.23 -0.04 1.64 1.53 2dy7A16 LEU 187 HB3 -0.22 -0.01 0.09 -0.04 1.64 1.45 2dy7A16 LEU 187 HG -0.34 0.02 0.10 -0.04 1.64 1.38 2dy7A16 LEU 187 HD13 -0.33 0.03 0.11 -0.04 0.93 0.70 2dy7A16 LEU 187 HD23 -0.13 -0.01 -0.00 -0.04 0.89 0.71 2dy7A16 LYS 188 H -0.23 0.16 -0.15 -0.55 8.42 7.63 2dy7A16 LYS 188 HA 0.00 0.07 0.22 -0.75 4.32 3.86 2dy7A16 LYS 188 HB2 0.04 -0.05 -0.00 -0.04 1.87 1.81 2dy7A16 LYS 188 HB3 0.05 0.02 -0.27 -0.04 1.79 1.54 2dy7A16 LYS 188 HG2 -0.05 -0.10 -0.30 -0.04 1.46 0.97 2dy7A16 LYS 188 HG3 -0.06 0.02 -0.29 -0.04 1.46 1.08 2dy7A16 LYS 188 HD2 0.01 0.09 -0.02 -0.04 1.69 1.72 2dy7A16 LYS 188 HD3 0.01 -0.00 -0.11 -0.04 1.68 1.54 2dy7A16 LYS 188 HE2 0.07 -0.03 -0.06 -0.04 2.99 2.94 2dy7A16 LYS 188 HE3 0.06 0.18 -0.11 -0.04 2.99 3.07 2dy7A16 THR 189 H 0.01 0.09 -0.02 -0.55 8.28 7.82 2dy7A16 THR 189 HA -0.02 -0.01 0.32 -0.75 4.39 3.93 2dy7A16 THR 189 HB -0.06 0.14 0.14 -0.04 4.32 4.49 2dy7A16 THR 189 HG23 -0.03 0.00 -0.10 -0.04 1.22 1.05 2dy7A16 SER 190 H -0.10 0.76 -0.51 -0.55 8.46 8.06 2dy7A16 SER 190 HA -0.16 -0.03 0.24 -0.75 4.49 3.79 2dy7A16 SER 190 HB2 -0.12 -0.12 -0.73 -0.04 3.95 2.94 2dy7A16 SER 190 HB3 -0.11 0.07 0.29 -0.04 3.93 4.14 2dy7A16 LEU 191 H -0.11 0.07 0.01 -0.55 8.37 7.80 2dy7A16 LEU 191 HA -0.07 -0.01 0.24 -0.75 4.35 3.76 2dy7A16 LEU 191 HB2 -0.09 -0.03 -0.20 -0.04 1.64 1.28 2dy7A16 LEU 191 HB3 -0.07 0.15 0.03 -0.04 1.64 1.71 2dy7A16 LEU 191 HG -0.05 0.02 0.11 -0.04 1.64 1.67 2dy7A16 LEU 191 HD13 -0.06 0.01 0.01 -0.04 0.93 0.85 2dy7A16 LEU 191 HD23 -0.05 0.02 0.07 -0.04 0.89 0.89 2dy7A16 GLU 192 H -0.05 0.05 0.16 -0.55 8.60 8.21 2dy7A16 GLU 192 HA -0.03 -0.05 0.35 -0.75 4.29 3.81 2dy7A16 GLU 192 HB2 -0.04 0.04 -0.07 -0.04 2.09 1.97 2dy7A16 GLU 192 HB3 -0.04 0.18 -0.05 -0.04 1.99 2.05 2dy7A16 GLU 192 HG2 -0.02 -0.02 0.08 -0.04 2.34 2.34 2dy7A16 GLU 192 HG3 -0.02 -0.04 0.10 -0.04 2.34 2.33 2dy7A16 GLU 193 H -0.03 0.09 -0.24 -0.55 8.60 7.86 2dy7A16 GLU 193 HA -0.02 0.06 0.31 -0.75 4.29 3.88 2dy7A16 GLU 193 HB2 -0.04 0.34 -0.73 -0.04 2.09 1.62 2dy7A16 GLU 193 HB3 -0.03 -0.21 -0.04 -0.04 1.99 1.66 2dy7A16 GLU 193 HG2 -0.02 0.30 0.28 -0.04 2.34 2.86 2dy7A16 GLU 193 HG3 -0.02 -0.06 -0.03 -0.04 2.34 2.19 2dy7A16 GLY 194 H -0.02 0.15 -0.07 -0.55 8.43 7.94 2dy7A16 GLY 194 HA2 -0.03 0.07 0.46 -0.51 4.01 4.00 2dy7A16 GLY 194 HA3 -0.02 0.05 0.37 -0.51 4.01 3.90 2dy7A16 LYS 195 H -0.03 0.22 0.09 -0.55 8.42 8.15 2dy7A16 LYS 195 HA -0.01 0.16 0.65 -0.75 4.32 4.37 2dy7A16 LYS 195 HB2 -0.02 -0.07 -0.32 -0.04 1.87 1.42 2dy7A16 LYS 195 HB3 -0.02 0.05 -0.05 -0.04 1.79 1.73 2dy7A16 LYS 195 HG2 -0.01 -0.13 0.10 -0.04 1.46 1.38 2dy7A16 LYS 195 HG3 -0.01 0.10 0.18 -0.04 1.46 1.69 2dy7A16 LYS 195 HD2 -0.01 0.05 -0.04 -0.04 1.69 1.65 2dy7A16 LYS 195 HD3 -0.01 0.01 -0.04 -0.04 1.68 1.59 2dy7A16 LYS 195 HE2 -0.00 -0.03 0.04 -0.04 2.99 2.96 2dy7A16 LYS 195 HE3 -0.00 0.02 0.01 -0.04 2.99 2.98 2dy7A16 VAL 196 H -0.01 0.05 0.10 -0.55 8.24 7.82 2dy7A16 VAL 196 HA -0.02 0.22 0.80 -0.75 4.13 4.37 2dy7A16 VAL 196 HB -0.00 -0.12 0.10 -0.04 2.12 2.05 2dy7A16 VAL 196 HG13 -0.00 0.03 -0.23 -0.04 0.97 0.73 2dy7A16 VAL 196 HG23 -0.01 -0.00 -0.28 -0.04 0.95 0.61 2dy7A16 LEU 197 H -0.00 0.03 0.14 -0.55 8.37 8.00 2dy7A16 LEU 197 HA 0.01 -0.00 0.39 -0.75 4.35 3.99 2dy7A16 LEU 197 HB2 -0.01 0.32 -0.02 -0.04 1.64 1.89 2dy7A16 LEU 197 HB3 0.01 0.03 0.17 -0.04 1.64 1.81 2dy7A16 LEU 197 HG -0.01 -0.23 -0.06 -0.04 1.64 1.30 2dy7A16 LEU 197 HD13 -0.02 0.02 -0.08 -0.04 0.93 0.80 2dy7A16 LEU 197 HD23 0.01 0.01 0.04 -0.04 0.89 0.91 2dy7A16 GLU 198 H 0.02 0.19 0.36 -0.55 8.60 8.62 2dy7A16 GLU 198 HA 0.04 0.11 0.91 -0.75 4.29 4.59 2dy7A16 GLU 198 HB2 0.10 0.01 0.13 -0.04 2.09 2.28 2dy7A16 GLU 198 HB3 0.07 -0.05 0.01 -0.04 1.99 1.98 2dy7A16 GLU 198 HG2 0.06 -0.07 0.16 -0.04 2.34 2.46 2dy7A16 GLU 198 HG3 0.13 0.06 -0.11 -0.04 2.34 2.38 2dy7A16 LYS 199 H 0.06 -0.00 0.20 -0.55 8.42 8.12 2dy7A16 LYS 199 HA 0.04 0.23 0.92 -0.75 4.32 4.75 2dy7A16 LYS 199 HB2 0.02 0.02 -0.03 -0.04 1.87 1.84 2dy7A16 LYS 199 HB3 0.04 -0.06 0.11 -0.04 1.79 1.84 2dy7A16 LYS 199 HG2 0.02 -0.02 -0.00 -0.04 1.46 1.42 2dy7A16 LYS 199 HG3 0.04 -0.00 -0.13 -0.04 1.46 1.33 2dy7A16 LYS 199 HD2 0.03 -0.00 0.17 -0.04 1.69 1.84 2dy7A16 LYS 199 HD3 0.01 0.07 0.12 -0.04 1.68 1.83 2dy7A16 LYS 199 HE2 -0.00 0.00 0.04 -0.04 2.99 2.99 2dy7A16 LYS 199 HE3 0.01 -0.02 0.02 -0.04 2.99 2.95 2dy7A16 THR 200 H 0.08 -0.09 0.16 -0.55 8.28 7.89 2dy7A16 THR 200 HA 0.13 0.27 0.88 -0.75 4.39 4.91 2dy7A16 THR 200 HB 0.05 -0.00 -0.02 -0.04 4.32 4.30 2dy7A16 THR 200 HG23 0.05 0.05 0.07 -0.04 1.22 1.35 2dy7A16 VAL 201 H 0.03 0.25 0.10 -0.55 8.24 8.07 2dy7A16 VAL 201 HA -0.02 0.08 0.88 -0.75 4.13 4.31 2dy7A16 VAL 201 HB -0.20 0.02 0.00 -0.04 2.12 1.90 2dy7A16 VAL 201 HG13 -0.71 -0.02 -0.33 -0.04 0.97 -0.14 2dy7A16 VAL 201 HG23 -0.02 0.03 0.17 -0.04 0.95 1.08 2dy7A16 PRO 202 HA -0.01 0.21 0.69 -0.51 4.44 4.82 2dy7A16 PRO 202 HB2 0.00 -0.00 0.02 -0.04 2.28 2.26 2dy7A16 PRO 202 HB3 0.01 0.05 0.07 -0.04 2.02 2.10 2dy7A16 PRO 202 HG2 0.01 -0.06 0.12 -0.04 2.03 2.06 2dy7A16 PRO 202 HG3 0.02 0.07 0.05 -0.04 2.03 2.13 2dy7A16 PRO 202 HD2 0.00 -0.02 0.24 -0.04 3.68 3.86 2dy7A16 PRO 202 HD3 0.02 0.23 0.05 -0.04 3.65 3.92 2dy7A16 ASP 203 H -0.01 0.05 0.12 -0.55 8.40 8.01 2dy7A16 ASP 203 HA -0.01 0.29 0.84 -0.75 4.63 5.00 2dy7A16 ASP 203 HB2 0.01 -0.16 0.18 -0.04 2.71 2.69 2dy7A16 ASP 203 HB3 0.00 0.14 0.00 -0.04 2.70 2.80 2dy7A16 LEU 204 H 0.01 0.19 0.13 -0.55 8.37 8.16 2dy7A16 LEU 204 HA 0.00 0.18 0.49 -0.75 4.35 4.26 2dy7A16 LEU 204 HB2 0.03 0.06 0.08 -0.04 1.64 1.77 2dy7A16 LEU 204 HB3 0.05 0.02 0.01 -0.04 1.64 1.68 2dy7A16 LEU 204 HG 0.14 -0.06 0.01 -0.04 1.64 1.68 2dy7A16 LEU 204 HD13 0.08 0.02 -0.02 -0.04 0.93 0.96 2dy7A16 LEU 204 HD23 0.10 0.02 -0.01 -0.04 0.89 0.95 2dy7A16 ASN 205 H 0.02 0.07 -0.07 -0.55 8.53 8.00 2dy7A16 ASN 205 HA 0.03 0.10 0.34 -0.75 4.76 4.48 2dy7A16 ASN 205 HB2 0.02 -0.06 0.06 -0.04 2.88 2.86 2dy7A16 ASN 205 HB3 0.03 0.10 -0.04 -0.04 2.79 2.83 2dy7A16 ASN 205 HD21 0.03 0.04 -0.01 -0.04 7.03 7.06 2dy7A16 ASN 205 HD22 0.03 0.03 -0.01 -0.04 7.74 7.75 2dy7A16 ASN 206 H 0.01 0.02 -0.43 -0.55 8.53 7.58 2dy7A16 ASN 206 HA 0.06 0.09 0.33 -0.75 4.76 4.49 2dy7A16 ASN 206 HB2 0.01 -0.07 0.08 -0.04 2.88 2.86 2dy7A16 ASN 206 HB3 0.04 0.16 -0.01 -0.04 2.79 2.93 2dy7A16 ASN 206 HD21 0.08 0.04 0.06 -0.04 7.03 7.16 2dy7A16 ASN 206 HD22 0.05 0.01 0.01 -0.04 7.74 7.76 2dy7A16 CYS 207 H -0.02 0.15 -0.36 -0.55 8.50 7.72 2dy7A16 CYS 207 HA 0.17 0.15 0.23 -0.75 4.58 4.38 2dy7A16 CYS 207 HB2 -0.04 0.03 0.14 -0.04 2.97 3.07 2dy7A16 CYS 207 HB3 0.19 -0.02 -0.08 -0.04 2.97 3.02 2dy7A16 LYS 208 H -0.11 0.46 0.01 -0.55 8.42 8.23 2dy7A16 LYS 208 HA -0.31 -0.09 0.32 -0.75 4.32 3.49 2dy7A16 LYS 208 HB2 0.04 -0.06 0.05 -0.04 1.87 1.86 2dy7A16 LYS 208 HB3 -0.15 -0.00 0.10 -0.04 1.79 1.69 2dy7A16 LYS 208 HG2 0.01 0.06 0.14 -0.04 1.46 1.63 2dy7A16 LYS 208 HG3 0.03 0.12 -0.30 -0.04 1.46 1.26 2dy7A16 LYS 208 HD2 0.05 -0.05 -0.03 -0.04 1.69 1.61 2dy7A16 LYS 208 HD3 0.08 -0.00 -0.07 -0.04 1.68 1.65 2dy7A16 LYS 208 HE2 0.07 0.17 -0.29 -0.04 2.99 2.89 2dy7A16 LYS 208 HE3 0.07 -0.08 -0.19 -0.04 2.99 2.75 2dy7A16 GLU 209 H 0.05 0.19 -1.02 -0.55 8.60 7.28 2dy7A16 GLU 209 HA 0.05 0.03 0.61 -0.75 4.29 4.23 2dy7A16 GLU 209 HB2 0.05 -0.09 0.07 -0.04 2.09 2.07 2dy7A16 GLU 209 HB3 0.05 0.05 0.07 -0.04 1.99 2.11 2dy7A16 GLU 209 HG2 0.07 -0.06 0.29 -0.04 2.34 2.60 2dy7A16 GLU 209 HG3 0.10 0.16 -0.07 -0.04 2.34 2.48 2dy7A16 ASN 210 H 0.15 0.49 -0.10 -0.55 8.53 8.53 2dy7A16 ASN 210 HA 0.03 0.03 0.58 -0.75 4.76 4.65 2dy7A16 ASN 210 HB2 0.09 0.06 0.05 -0.04 2.88 3.05 2dy7A16 ASN 210 HB3 -0.04 -0.08 0.22 -0.04 2.79 2.85 2dy7A16 ASN 210 HD21 -0.01 -0.08 0.07 -0.04 7.03 6.97 2dy7A16 ASN 210 HD22 0.01 -0.05 0.05 -0.04 7.74 7.71 2dy7A16 TYR 211 H 0.14 0.26 0.12 -0.55 8.29 8.25 2dy7A16 TYR 211 HA -0.02 -0.02 0.66 -0.75 4.56 4.42 2dy7A16 TYR 211 HB2 0.02 0.00 -0.12 -0.04 3.06 2.92 2dy7A16 TYR 211 HB3 -0.23 -0.00 -0.16 -0.04 2.98 2.55 2dy7A16 TYR 211 HD2 0.02 0.03 -0.21 -0.04 7.15 6.94 2dy7A16 TYR 211 HE2 0.05 0.01 -0.14 -0.04 6.85 6.72 2dy7A16 GLU 212 H 0.03 0.82 0.23 -0.55 8.60 9.13 2dy7A16 GLU 212 HA 0.32 0.11 0.92 -0.75 4.29 4.89 2dy7A16 GLU 212 HB2 0.13 0.11 -0.14 -0.04 2.09 2.15 2dy7A16 GLU 212 HB3 0.47 -0.03 -0.13 -0.04 1.99 2.26 2dy7A16 GLU 212 HG2 0.29 0.21 -0.17 -0.04 2.34 2.63 2dy7A16 GLU 212 HG3 0.17 -0.12 -0.13 -0.04 2.34 2.21 2dy7A16 PHE 213 H 0.42 0.67 0.22 -0.55 8.34 9.10 2dy7A16 PHE 213 HA 0.01 0.17 1.01 -0.75 4.62 5.04 2dy7A16 PHE 213 HB2 0.00 -0.12 -0.08 -0.04 3.15 2.91 2dy7A16 PHE 213 HB3 -0.30 0.08 -0.11 -0.04 3.06 2.69 2dy7A16 PHE 213 HD2 0.05 0.00 -0.25 -0.04 7.28 7.04 2dy7A16 PHE 213 HE2 -0.09 0.03 -0.26 -0.04 7.38 7.03 2dy7A16 PHE 213 HZ -0.17 -0.06 -0.17 -0.04 7.32 6.88 2dy7A16 LEU 214 H -1.03 0.75 0.08 -0.55 8.37 7.62 2dy7A16 LEU 214 HA -1.31 0.08 0.44 -0.75 4.35 2.82 2dy7A16 LEU 214 HB2 -2.75 0.03 -0.10 -0.04 1.64 -1.22 2dy7A16 LEU 214 HB3 -0.84 -0.26 0.16 -0.04 1.64 0.66 2dy7A16 LEU 214 HG -0.44 -0.04 -0.20 -0.04 1.64 0.92 2dy7A16 LEU 214 HD13 -0.92 -0.00 -0.36 -0.04 0.93 -0.40 2dy7A16 LEU 214 HD23 0.14 0.02 -0.16 -0.04 0.89 0.85 2dy7A16 ILE 215 H -0.24 0.78 0.58 -0.55 8.25 8.82 2dy7A16 ILE 215 HA -0.54 0.12 0.79 -0.75 4.18 3.80 2dy7A16 ILE 215 HB -0.09 -0.01 0.25 -0.04 1.89 2.00 2dy7A16 ILE 215 HG12 0.01 0.15 0.24 -0.04 1.49 1.85 2dy7A16 ILE 215 HG13 0.11 -0.11 -0.04 -0.04 1.21 1.14 2dy7A16 ILE 215 HG23 -1.94 -0.01 -0.14 -0.04 0.93 -1.19 2dy7A16 ILE 215 HD13 -0.26 -0.03 -0.38 -0.04 0.88 0.18 2dy7A16 LYS 216 H -0.42 0.87 0.51 -0.55 8.42 8.82 2dy7A16 LYS 216 HA -0.10 0.13 0.74 -0.75 4.32 4.33 2dy7A16 LYS 216 HB2 -0.15 -0.07 0.13 -0.04 1.87 1.73 2dy7A16 LYS 216 HB3 -0.22 -0.04 0.31 -0.04 1.79 1.80 2dy7A16 LYS 216 HG2 -0.10 -0.12 -0.01 -0.04 1.46 1.18 2dy7A16 LYS 216 HG3 -0.06 0.36 -0.10 -0.04 1.46 1.62 2dy7A16 LYS 216 HD2 -0.01 0.13 0.03 -0.04 1.69 1.80 2dy7A16 LYS 216 HD3 -0.06 -0.09 0.01 -0.04 1.68 1.51 2dy7A16 LYS 216 HE2 -0.06 -0.02 -0.05 -0.04 2.99 2.82 2dy7A16 LYS 216 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2dy7A16 TRP 217 H 0.20 0.17 0.15 -0.55 7.97 7.95 2dy7A16 TRP 217 HA -0.01 -0.06 0.64 -0.75 4.62 4.44 2dy7A16 TRP 217 HB2 0.06 0.16 0.01 -0.04 3.23 3.43 2dy7A16 TRP 217 HB3 0.04 -0.02 0.18 -0.04 3.23 3.39 2dy7A16 TRP 217 HD1 0.02 -0.09 0.03 -0.04 7.22 7.14 2dy7A16 TRP 217 HE1 -0.00 -0.09 0.06 -0.04 10.20 10.12 2dy7A16 TRP 217 HE3 0.01 0.39 0.01 -0.04 7.59 7.97 2dy7A16 TRP 217 HZ2 0.01 -0.08 -0.07 -0.04 7.44 7.26 2dy7A16 TRP 217 HZ3 -0.01 -0.09 -0.24 -0.04 7.13 6.76 2dy7A16 TRP 217 HH2 -0.02 -0.08 -0.03 -0.04 7.19 7.02 2dy7A16 THR 218 H 0.30 0.16 0.20 -0.55 8.28 8.39 2dy7A16 THR 218 HA 0.02 -0.00 0.38 -0.75 4.39 4.04 2dy7A16 THR 218 HB 0.09 -0.18 0.14 -0.04 4.32 4.33 2dy7A16 THR 218 HG23 0.14 0.02 0.14 -0.04 1.22 1.47 2dy7A16 ASP 219 H -0.00 0.04 0.21 -0.55 8.40 8.10 2dy7A16 ASP 219 HA -0.01 0.33 0.75 -0.75 4.63 4.95 2dy7A16 ASP 219 HB2 -0.12 -0.06 0.10 -0.04 2.71 2.59 2dy7A16 ASP 219 HB3 -0.36 -0.01 0.09 -0.04 2.70 2.38 2dy7A16 GLU 220 H 0.04 -0.02 0.01 -0.55 8.60 8.08 2dy7A16 GLU 220 HA 0.05 0.16 0.60 -0.75 4.29 4.34 2dy7A16 GLU 220 HB2 0.04 0.02 0.12 -0.04 2.09 2.23 2dy7A16 GLU 220 HB3 0.03 -0.04 0.08 -0.04 1.99 2.01 2dy7A16 GLU 220 HG2 0.07 -0.08 -0.01 -0.04 2.34 2.27 2dy7A16 GLU 220 HG3 0.06 0.03 -0.27 -0.04 2.34 2.13 2dy7A16 SER 221 H 0.11 0.18 -0.50 -0.55 8.46 7.71 2dy7A16 SER 221 HA 0.09 0.09 0.64 -0.75 4.49 4.56 2dy7A16 SER 221 HB2 0.07 -0.04 -0.07 -0.04 3.95 3.87 2dy7A16 SER 221 HB3 0.04 -0.02 -0.01 -0.04 3.93 3.89 2dy7A16 HIS 222 H 0.15 0.06 0.07 -0.55 8.41 8.15 2dy7A16 HIS 222 HA -0.01 -0.03 0.31 -0.75 4.63 4.14 2dy7A16 HIS 222 HB2 -0.02 -0.06 -0.68 -0.04 3.26 2.46 2dy7A16 HIS 222 HB3 -0.03 0.11 0.22 -0.04 3.20 3.46 2dy7A16 HIS 222 HD2 -0.04 -0.01 0.05 -0.04 6.97 6.92 2dy7A16 HIS 222 HE1 -0.17 -0.00 -0.00 -0.04 7.75 7.53 2dy7A16 LEU 223 H -0.14 0.00 0.13 -0.55 8.37 7.82 2dy7A16 LEU 223 HA -0.09 0.10 0.49 -0.75 4.35 4.09 2dy7A16 LEU 223 HB2 -0.11 -0.04 0.12 -0.04 1.64 1.57 2dy7A16 LEU 223 HB3 0.04 -0.05 0.06 -0.04 1.64 1.65 2dy7A16 LEU 223 HG -0.13 0.03 0.03 -0.04 1.64 1.53 2dy7A16 LEU 223 HD13 -0.11 0.00 0.03 -0.04 0.93 0.82 2dy7A16 LEU 223 HD23 -0.06 -0.05 0.12 -0.04 0.89 0.87 2dy7A16 HIS 224 H -0.00 0.06 0.19 -0.55 8.41 8.11 2dy7A16 HIS 224 HA 0.10 0.38 0.68 -0.75 4.63 5.03 2dy7A16 HIS 224 HB2 0.05 -0.06 0.11 -0.04 3.26 3.32 2dy7A16 HIS 224 HB3 0.04 -0.00 0.08 -0.04 3.20 3.27 2dy7A16 HIS 224 HD2 0.06 0.23 -0.50 -0.04 6.97 6.72 2dy7A16 HIS 224 HE1 0.02 -0.03 0.01 -0.04 7.75 7.70 2dy7A16 ASN 225 H 0.17 0.06 0.05 -0.55 8.53 8.26 2dy7A16 ASN 225 HA 0.17 0.16 0.62 -0.75 4.76 4.96 2dy7A16 ASN 225 HB2 -0.01 -0.05 -0.12 -0.04 2.88 2.66 2dy7A16 ASN 225 HB3 0.05 0.17 -0.25 -0.04 2.79 2.73 2dy7A16 ASN 225 HD21 0.12 -0.01 -0.24 -0.04 7.03 6.86 2dy7A16 ASN 225 HD22 0.12 0.01 -0.08 -0.04 7.74 7.75 2dy7A16 THR 226 H 0.17 0.45 0.19 -0.55 8.28 8.54 2dy7A16 THR 226 HA 0.24 0.14 0.66 -0.75 4.39 4.67 2dy7A16 THR 226 HB 0.19 0.02 0.01 -0.04 4.32 4.50 2dy7A16 THR 226 HG23 0.12 0.03 -0.25 -0.04 1.22 1.08 2dy7A16 TRP 227 H 0.46 0.20 0.08 -0.55 7.97 8.16 2dy7A16 TRP 227 HA 0.13 0.14 0.66 -0.75 4.62 4.80 2dy7A16 TRP 227 HB2 0.06 0.02 0.14 -0.04 3.23 3.41 2dy7A16 TRP 227 HB3 0.06 0.03 -0.05 -0.04 3.23 3.24 2dy7A16 TRP 227 HD1 0.05 -0.01 -0.12 -0.04 7.22 7.09 2dy7A16 TRP 227 HE1 0.01 0.04 -0.15 -0.04 10.20 10.06 2dy7A16 TRP 227 HE3 0.02 -0.01 -0.36 -0.04 7.59 7.20 2dy7A16 TRP 227 HZ2 -0.02 0.05 -0.16 -0.04 7.44 7.27 2dy7A16 TRP 227 HZ3 -0.06 -0.11 -0.39 -0.04 7.13 6.53 2dy7A16 TRP 227 HH2 -0.06 0.09 -0.23 -0.04 7.19 6.95 2dy7A16 GLU 228 H 0.21 0.42 0.28 -0.55 8.60 8.97 2dy7A16 GLU 228 HA 0.26 0.21 0.75 -0.75 4.29 4.75 2dy7A16 GLU 228 HB2 0.37 0.01 0.01 -0.04 2.09 2.44 2dy7A16 GLU 228 HB3 0.32 -0.09 0.02 -0.04 1.99 2.20 2dy7A16 GLU 228 HG2 0.55 0.02 -0.22 -0.04 2.34 2.65 2dy7A16 GLU 228 HG3 0.58 0.05 -0.10 -0.04 2.34 2.83 2dy7A16 THR 229 H 0.24 0.19 0.15 -0.55 8.28 8.31 2dy7A16 THR 229 HA 0.44 0.24 0.84 -0.75 4.39 5.15 2dy7A16 THR 229 HB 0.22 -0.02 0.07 -0.04 4.32 4.54 2dy7A16 THR 229 HG23 0.22 0.06 -0.06 -0.04 1.22 1.40 2dy7A16 TYR 230 H 0.50 0.36 0.12 -0.55 8.29 8.72 2dy7A16 TYR 230 HA 0.01 -0.01 0.25 -0.75 4.56 4.05 2dy7A16 TYR 230 HB2 0.09 0.10 0.16 -0.04 3.06 3.38 2dy7A16 TYR 230 HB3 0.03 0.07 0.01 -0.04 2.98 3.05 2dy7A16 TYR 230 HD2 -0.05 -0.05 -0.03 -0.04 7.15 6.97 2dy7A16 TYR 230 HE2 -0.70 0.03 -0.11 -0.04 6.85 6.03 2dy7A16 GLU 231 H 0.22 0.13 -0.39 -0.55 8.60 8.02 2dy7A16 GLU 231 HA 0.11 0.11 0.39 -0.75 4.29 4.14 2dy7A16 GLU 231 HB2 0.12 0.02 0.08 -0.04 2.09 2.28 2dy7A16 GLU 231 HB3 0.11 0.01 -0.05 -0.04 1.99 2.02 2dy7A16 GLU 231 HG2 0.07 0.02 0.03 -0.04 2.34 2.41 2dy7A16 GLU 231 HG3 0.07 0.02 0.16 -0.04 2.34 2.56 2dy7A16 SER 232 H 0.16 0.74 -0.46 -0.55 8.46 8.36 2dy7A16 SER 232 HA 0.07 0.25 0.87 -0.75 4.49 4.93 2dy7A16 SER 232 HB2 0.14 -0.11 0.03 -0.04 3.95 3.97 2dy7A16 SER 232 HB3 0.15 -0.06 0.01 -0.04 3.93 3.99 2dy7A16 ILE 233 H 0.14 0.35 0.10 -0.55 8.25 8.29 2dy7A16 ILE 233 HA 0.24 0.25 0.80 -0.75 4.18 4.72 2dy7A16 ILE 233 HB 0.43 0.09 -0.04 -0.04 1.89 2.32 2dy7A16 ILE 233 HG12 -0.15 -0.01 -0.33 -0.04 1.49 0.96 2dy7A16 ILE 233 HG13 -0.06 -0.17 0.06 -0.04 1.21 1.00 2dy7A16 ILE 233 HG23 0.22 -0.04 -0.42 -0.04 0.93 0.65 2dy7A16 ILE 233 HD13 -0.15 0.03 -0.23 -0.04 0.88 0.48 2dy7A16 GLY 234 H 0.05 0.42 -0.07 -0.55 8.43 8.29 2dy7A16 GLY 234 HA2 -0.14 -0.10 0.73 -0.51 4.01 3.99 2dy7A16 GLY 234 HA3 -0.04 0.17 0.45 -0.51 4.01 4.08 2dy7A16 GLN 235 H 0.01 0.08 -0.41 -0.55 8.47 7.60 2dy7A16 GLN 235 HA 0.00 0.06 0.32 -0.75 4.36 3.99 2dy7A16 GLN 235 HB2 -0.00 0.02 0.15 -0.04 2.15 2.27 2dy7A16 GLN 235 HB3 0.01 0.30 0.13 -0.04 2.02 2.41 2dy7A16 GLN 235 HG2 0.02 -0.01 -0.72 -0.04 2.40 1.65 2dy7A16 GLN 235 HG3 0.03 -0.05 -0.49 -0.04 2.39 1.83 2dy7A16 GLN 235 HE21 0.00 0.09 -0.16 -0.04 6.97 6.86 2dy7A16 GLN 235 HE22 -0.02 0.01 -0.06 -0.04 7.69 7.57 2dy7A16 VAL 236 H 0.03 -0.13 0.13 -0.55 8.24 7.72 2dy7A16 VAL 236 HA 0.07 0.28 0.62 -0.75 4.13 4.35 2dy7A16 VAL 236 HB 0.18 -0.01 0.21 -0.04 2.12 2.46 2dy7A16 VAL 236 HG13 -0.01 0.06 -0.17 -0.04 0.97 0.80 2dy7A16 VAL 236 HG23 0.23 -0.02 -0.04 -0.04 0.95 1.09 2dy7A16 ARG 237 H 0.04 0.18 0.10 -0.55 8.46 8.23 2dy7A16 ARG 237 HA 0.01 0.07 0.36 -0.75 4.34 4.03 2dy7A16 ARG 237 HB2 0.14 -0.01 -0.62 -0.04 1.90 1.37 2dy7A16 ARG 237 HB3 0.07 0.06 0.28 -0.04 1.80 2.17 2dy7A16 ARG 237 HG2 0.02 -0.06 0.15 -0.04 1.67 1.73 2dy7A16 ARG 237 HG3 0.05 0.04 0.03 -0.04 1.67 1.75 2dy7A16 ARG 237 HD2 0.07 0.03 0.06 -0.04 3.22 3.34 2dy7A16 ARG 237 HD3 0.04 0.03 0.10 -0.04 3.22 3.34 2dy7A16 GLY 238 H 0.00 -0.09 -0.62 -0.55 8.43 7.18 2dy7A16 GLY 238 HA2 -0.18 0.14 0.43 -0.51 4.01 3.89 2dy7A16 GLY 238 HA3 -0.13 0.20 0.32 -0.51 4.01 3.89 2dy7A16 LEU 239 H -0.17 0.18 0.08 -0.55 8.37 7.91 2dy7A16 LEU 239 HA -0.49 0.05 0.25 -0.75 4.35 3.41 2dy7A16 LEU 239 HB2 -0.16 -0.08 0.05 -0.04 1.64 1.41 2dy7A16 LEU 239 HB3 -0.20 0.09 -0.04 -0.04 1.64 1.45 2dy7A16 LEU 239 HG -0.42 0.00 0.05 -0.04 1.64 1.23 2dy7A16 LEU 239 HD13 -0.12 0.03 0.01 -0.04 0.93 0.81 2dy7A16 LEU 239 HD23 -0.90 0.01 -0.00 -0.04 0.89 -0.05 2dy7A16 LYS 240 H -0.10 -0.03 -0.92 -0.55 8.42 6.81 2dy7A16 LYS 240 HA -0.06 0.07 0.40 -0.75 4.32 3.98 2dy7A16 LYS 240 HB2 -0.04 -0.07 0.05 -0.04 1.87 1.78 2dy7A16 LYS 240 HB3 -0.04 0.25 0.19 -0.04 1.79 2.15 2dy7A16 LYS 240 HG2 -0.02 0.03 0.01 -0.04 1.46 1.44 2dy7A16 LYS 240 HG3 -0.03 0.05 -0.22 -0.04 1.46 1.22 2dy7A16 LYS 240 HD2 -0.02 0.01 -0.01 -0.04 1.69 1.63 2dy7A16 LYS 240 HD3 -0.03 -0.06 0.04 -0.04 1.68 1.59 2dy7A16 LYS 240 HE2 -0.02 -0.03 -0.00 -0.04 2.99 2.90 2dy7A16 LYS 240 HE3 -0.02 0.03 -0.00 -0.04 2.99 2.97 2dy7A16 ARG 241 H -0.08 0.43 0.11 -0.55 8.46 8.36 2dy7A16 ARG 241 HA -0.03 0.07 0.42 -0.75 4.34 4.05 2dy7A16 ARG 241 HB2 -0.14 -0.04 -0.03 -0.04 1.90 1.64 2dy7A16 ARG 241 HB3 -0.07 0.03 -0.03 -0.04 1.80 1.68 2dy7A16 ARG 241 HG2 -0.04 -0.10 0.04 -0.04 1.67 1.53 2dy7A16 ARG 241 HG3 -0.06 0.15 0.12 -0.04 1.67 1.83 2dy7A16 ARG 241 HD2 -0.04 0.26 -0.02 -0.04 3.22 3.38 2dy7A16 ARG 241 HD3 -0.06 0.06 -0.10 -0.04 3.22 3.08 2dy7A16 LEU 242 H -0.15 1.01 -0.21 -0.55 8.37 8.47 2dy7A16 LEU 242 HA -0.11 0.05 0.32 -0.75 4.35 3.85 2dy7A16 LEU 242 HB2 -0.30 0.03 -0.32 -0.04 1.64 1.01 2dy7A16 LEU 242 HB3 -0.39 -0.05 -0.16 -0.04 1.64 1.01 2dy7A16 LEU 242 HG -0.48 -0.08 -0.23 -0.04 1.64 0.81 2dy7A16 LEU 242 HD13 -0.61 0.01 -0.17 -0.04 0.93 0.12 2dy7A16 LEU 242 HD23 -0.33 0.01 -0.19 -0.04 0.89 0.34 2dy7A16 ASP 243 H -0.11 0.62 -0.31 -0.55 8.40 8.06 2dy7A16 ASP 243 HA 0.02 -0.06 0.41 -0.75 4.63 4.24 2dy7A16 ASP 243 HB2 -0.05 0.23 0.38 -0.04 2.71 3.23 2dy7A16 ASP 243 HB3 -0.02 -0.07 0.03 -0.04 2.70 2.60 2dy7A16 ASN 244 H -0.00 0.57 -0.14 -0.55 8.53 8.41 2dy7A16 ASN 244 HA -0.00 0.02 0.37 -0.75 4.76 4.39 2dy7A16 ASN 244 HB2 0.02 0.10 0.16 -0.04 2.88 3.12 2dy7A16 ASN 244 HB3 0.02 0.01 0.02 -0.04 2.79 2.80 2dy7A16 ASN 244 HD21 -0.01 -0.02 0.00 -0.04 7.03 6.95 2dy7A16 ASN 244 HD22 -0.01 0.02 0.01 -0.04 7.74 7.72 2dy7A16 TYR 245 H 0.16 0.20 -0.83 -0.55 8.29 7.27 2dy7A16 TYR 245 HA 0.29 0.11 0.51 -0.75 4.56 4.73 2dy7A16 TYR 245 HB2 0.07 0.01 0.09 -0.04 3.06 3.19 2dy7A16 TYR 245 HB3 0.02 0.10 0.21 -0.04 2.98 3.27 2dy7A16 TYR 245 HD2 0.13 0.01 -0.14 -0.04 7.15 7.11 2dy7A16 TYR 245 HE2 -0.38 0.05 -0.22 -0.04 6.85 6.27 2dy7A16 CYS 246 H 0.17 0.61 -0.02 -0.55 8.50 8.71 2dy7A16 CYS 246 HA -0.01 0.06 0.38 -0.75 4.58 4.26 2dy7A16 CYS 246 HB2 0.08 0.15 0.21 -0.04 2.97 3.37 2dy7A16 CYS 246 HB3 0.04 -0.08 -0.06 -0.04 2.97 2.84 2dy7A16 LYS 247 H -0.01 0.48 -0.30 -0.55 8.42 8.04 2dy7A16 LYS 247 HA -0.06 -0.05 0.46 -0.75 4.32 3.91 2dy7A16 LYS 247 HB2 -0.04 -0.05 -0.01 -0.04 1.87 1.73 2dy7A16 LYS 247 HB3 -0.02 0.02 0.05 -0.04 1.79 1.79 2dy7A16 LYS 247 HG2 -0.05 0.14 0.10 -0.04 1.46 1.61 2dy7A16 LYS 247 HG3 -0.09 0.12 -0.39 -0.04 1.46 1.06 2dy7A16 LYS 247 HD2 -0.03 -0.07 -0.05 -0.04 1.69 1.49 2dy7A16 LYS 247 HD3 -0.03 -0.09 -0.02 -0.04 1.68 1.50 2dy7A16 LYS 247 HE2 -0.04 -0.06 -0.01 -0.04 2.99 2.84 2dy7A16 LYS 247 HE3 -0.07 0.09 -0.05 -0.04 2.99 2.92 2dy7A16 GLN 248 H -0.15 0.15 -0.46 -0.55 8.47 7.46 2dy7A16 GLN 248 HA -0.34 0.16 0.68 -0.75 4.36 4.11 2dy7A16 GLN 248 HB2 -0.22 0.24 0.20 -0.04 2.15 2.33 2dy7A16 GLN 248 HB3 -0.72 -0.02 0.09 -0.04 2.02 1.33 2dy7A16 GLN 248 HG2 -0.46 0.02 0.18 -0.04 2.40 2.09 2dy7A16 GLN 248 HG3 -0.23 -0.06 0.06 -0.04 2.39 2.12 2dy7A16 GLN 248 HE21 -0.05 -0.01 0.01 -0.04 6.97 6.88 2dy7A16 GLN 248 HE22 0.08 -0.04 0.01 -0.04 7.69 7.69 2dy7A16 PHE 249 H -0.22 -0.11 -0.43 -0.55 8.34 7.02 2dy7A16 PHE 249 HA -0.13 0.14 0.77 -0.75 4.62 4.64 2dy7A16 PHE 249 HB2 -0.98 0.18 0.01 -0.04 3.15 2.31 2dy7A16 PHE 249 HB3 -0.24 -0.11 0.03 -0.04 3.06 2.70 2dy7A16 PHE 249 HD2 -0.55 -0.01 0.07 -0.04 7.28 6.75 2dy7A16 PHE 249 HE2 0.04 -0.07 0.01 -0.04 7.38 7.32 2dy7A16 PHE 249 HZ 0.03 -0.06 0.00 -0.04 7.32 7.25 2dy7A16 ILE 250 H -0.10 0.24 0.11 -0.55 8.25 7.95 2dy7A16 ILE 250 HA -0.02 0.14 0.98 -0.75 4.18 4.52 2dy7A16 ILE 250 HB -0.09 -0.08 0.22 -0.04 1.89 1.89 2dy7A16 ILE 250 HG12 -0.36 -0.10 -0.06 -0.04 1.49 0.93 2dy7A16 ILE 250 HG13 -0.18 0.19 -0.17 -0.04 1.21 1.01 2dy7A16 ILE 250 HG23 -0.10 -0.04 -0.25 -0.04 0.93 0.49 2dy7A16 ILE 250 HD13 -0.66 -0.03 -0.17 -0.04 0.88 -0.02 2dy7A16 ILE 251 H -0.07 0.26 0.33 -0.55 8.25 8.21 2dy7A16 ILE 251 HA -0.03 0.26 0.86 -0.75 4.18 4.51 2dy7A16 ILE 251 HB -0.04 -0.07 -0.02 -0.04 1.89 1.73 2dy7A16 ILE 251 HG12 -0.03 0.28 -0.84 -0.04 1.49 0.86 2dy7A16 ILE 251 HG13 -0.04 0.10 -0.55 -0.04 1.21 0.68 2dy7A16 ILE 251 HG23 -0.02 -0.04 0.21 -0.04 0.93 1.04 2dy7A16 ILE 251 HD13 -0.01 -0.06 -0.33 -0.04 0.88 0.44 2dy7A16 GLU 252 H -0.03 0.06 0.11 -0.55 8.60 8.19 2dy7A16 GLU 252 HA -0.06 0.23 0.48 -0.75 4.29 4.19 2dy7A16 GLU 252 HB2 -0.03 -0.04 0.13 -0.04 2.09 2.11 2dy7A16 GLU 252 HB3 -0.03 0.02 0.09 -0.04 1.99 2.02 2dy7A16 GLU 252 HG2 -0.03 -0.04 0.03 -0.04 2.34 2.26 2dy7A16 GLU 252 HG3 -0.02 -0.02 0.04 -0.04 2.34 2.30