============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 5 1.040 23.122 8.048 19.621 -99.200 -91.000 TRP6 5 1.020 21.752 8.347 17.706 -99.200 -91.000 HIS 8 0.900 28.343 -2.557 11.548 -99.200 -91.000 TYR 13 0.840 23.355 1.782 12.609 -99.200 -91.000 TRP 14 1.040 19.499 5.901 21.705 -99.200 -91.000 TRP6 14 1.020 17.166 5.838 22.105 -99.200 -91.000 PHE 15 1.000 20.476 -0.754 17.959 -99.200 -91.000 TRP 22 1.040 7.121 4.401 11.572 -99.200 -91.000 TRP6 22 1.020 7.160 6.448 10.364 -99.200 -91.000 TYR 28 0.840 13.889 9.635 21.081 -99.200 -91.000 HIS 35 0.900 18.145 8.005 8.840 -99.200 -91.000 TRP 42 1.040 21.390 -10.564 2.868 -99.200 -91.000 TRP6 42 1.020 19.974 -11.282 4.620 -99.200 -91.000 PHE 47 1.000 25.150 -2.531 13.910 -99.200 -91.000 HIS 50 0.900 24.892 -8.510 18.263 -99.200 -91.000 HIS 51 0.900 23.934 -3.940 18.611 -99.200 -91.000 TRP 58 1.040 7.024 1.286 15.409 -99.200 -91.000 TRP6 58 1.020 5.564 0.147 13.958 -99.200 -91.000 HIS 62 0.900 6.393 6.460 5.426 -99.200 -91.000 TRP 68 1.040 6.146 -0.823 0.875 -99.200 -91.000 TRP6 68 1.020 5.846 -0.664 3.216 -99.200 -91.000 TRP 70 1.040 14.348 2.121 2.511 -99.200 -91.000 TRP6 70 1.020 14.471 0.816 4.482 -99.200 -91.000 TYR 76 0.840 10.602 -1.171 -1.011 -99.200 -91.000 PHE 80 1.000 18.680 -6.276 3.161 -99.200 -91.000 TRP 83 1.040 9.301 -6.453 2.342 -99.200 -91.000 TRP6 83 1.020 8.147 -5.091 3.879 -99.200 -91.000 TRP 91 1.040 -5.108 -8.818 8.953 -99.200 -91.000 TRP6 91 1.020 -4.853 -9.050 11.306 -99.200 -91.000 TYR 92 0.840 -7.537 -2.123 5.456 -99.200 -91.000 HIS 94 0.900 -5.571 -3.456 11.997 -99.200 -91.000 HIS 104 0.900 6.870 -5.318 13.300 -99.200 -91.000 PHE 105 1.000 14.632 -4.019 11.735 -99.200 -91.000 TRP 111 1.040 12.989 -5.837 7.168 -99.200 -91.000 TRP6 111 1.020 13.550 -4.650 5.198 -99.200 -91.000 TYR 120 0.840 5.136 -3.337 17.194 -99.200 -91.000 TRP 122 1.040 12.613 4.931 18.499 -99.200 -91.000 TRP6 122 1.020 11.446 4.942 20.570 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dv8A1 CYS 153 HA -0.14 -0.02 0.09 -0.75 4.58 3.75 1dv8A1 CYS 153 HB2 0.10 -0.02 -0.15 -0.04 2.97 2.85 1dv8A1 CYS 153 HB3 0.10 0.06 -0.14 -0.04 2.97 2.95 1dv8A1 PRO 154 HA -0.08 0.05 0.51 -0.51 4.44 4.40 1dv8A1 PRO 154 HB2 -0.50 0.08 -0.07 -0.04 2.28 1.75 1dv8A1 PRO 154 HB3 -0.21 -0.01 0.08 -0.04 2.02 1.83 1dv8A1 PRO 154 HG2 -0.98 0.08 -0.02 -0.04 2.03 1.06 1dv8A1 PRO 154 HG3 -0.40 0.04 -0.04 -0.04 2.03 1.59 1dv8A1 PRO 154 HD2 -0.94 0.05 0.04 -0.04 3.68 2.80 1dv8A1 PRO 154 HD3 -0.45 0.11 0.06 -0.04 3.65 3.33 1dv8A1 VAL 155 H 0.07 0.06 0.15 -0.55 8.24 7.97 1dv8A1 VAL 155 HA 0.17 0.09 0.44 -0.75 4.13 4.07 1dv8A1 VAL 155 HB 0.14 0.01 0.01 -0.04 2.12 2.24 1dv8A1 VAL 155 HG13 0.08 0.01 0.07 -0.04 0.97 1.08 1dv8A1 VAL 155 HG23 0.10 -0.00 0.08 -0.04 0.95 1.08 1dv8A1 ASN 156 H 0.22 0.13 0.17 -0.55 8.53 8.50 1dv8A1 ASN 156 HA 0.20 -0.02 0.35 -0.75 4.76 4.54 1dv8A1 ASN 156 HB2 0.44 0.51 0.28 -0.04 2.88 4.06 1dv8A1 ASN 156 HB3 0.47 -0.05 0.15 -0.04 2.79 3.31 1dv8A1 ASN 156 HD21 0.16 -0.04 -0.08 -0.04 7.03 7.03 1dv8A1 ASN 156 HD22 0.23 0.09 -0.22 -0.04 7.74 7.80 1dv8A1 TRP 157 H 0.55 0.35 -0.39 -0.55 7.97 7.92 1dv8A1 TRP 157 HA 0.26 0.29 1.00 -0.75 4.62 5.41 1dv8A1 TRP 157 HB2 0.12 0.21 -0.06 -0.04 3.23 3.45 1dv8A1 TRP 157 HB3 0.14 -0.15 -0.11 -0.04 3.23 3.08 1dv8A1 TRP 157 HD1 0.16 0.30 -0.49 -0.04 7.22 7.15 1dv8A1 TRP 157 HE1 -0.15 -0.03 -0.13 -0.04 10.20 9.85 1dv8A1 TRP 157 HE3 0.05 -0.09 -0.63 -0.04 7.59 6.87 1dv8A1 TRP 157 HZ2 -0.23 0.00 -0.11 -0.04 7.44 7.07 1dv8A1 TRP 157 HZ3 -0.06 -0.03 -0.47 -0.04 7.13 6.52 1dv8A1 TRP 157 HH2 -0.05 -0.01 -0.20 -0.04 7.19 6.89 1dv8A1 VAL 158 H 0.38 0.72 0.38 -0.55 8.24 9.17 1dv8A1 VAL 158 HA 0.25 0.12 0.92 -0.75 4.13 4.67 1dv8A1 VAL 158 HB 0.37 -0.04 0.13 -0.04 2.12 2.54 1dv8A1 VAL 158 HG13 0.25 0.01 -0.10 -0.04 0.97 1.10 1dv8A1 VAL 158 HG23 0.04 0.02 -0.08 -0.04 0.95 0.88 1dv8A1 GLU 159 H 0.22 0.14 0.17 -0.55 8.60 8.58 1dv8A1 GLU 159 HA 0.26 0.33 0.85 -0.75 4.29 4.97 1dv8A1 GLU 159 HB2 0.13 0.09 0.04 -0.04 2.09 2.30 1dv8A1 GLU 159 HB3 0.11 -0.06 0.06 -0.04 1.99 2.06 1dv8A1 GLU 159 HG2 0.07 -0.17 -0.08 -0.04 2.34 2.12 1dv8A1 GLU 159 HG3 0.07 0.07 -0.14 -0.04 2.34 2.30 1dv8A1 HIS 160 H 0.17 0.59 0.23 -0.55 8.41 8.86 1dv8A1 HIS 160 HA -0.12 0.01 0.57 -0.75 4.63 4.34 1dv8A1 HIS 160 HB2 -0.78 0.18 -0.27 -0.04 3.26 2.36 1dv8A1 HIS 160 HB3 -0.80 0.00 -0.04 -0.04 3.20 2.32 1dv8A1 HIS 160 HD2 -0.62 -0.04 -0.14 -0.04 6.97 6.12 1dv8A1 HIS 160 HE1 -0.05 -0.01 -0.02 -0.04 7.75 7.62 1dv8A1 GLU 161 H -0.31 0.18 0.11 -0.55 8.60 8.03 1dv8A1 GLU 161 HA -0.19 0.04 0.36 -0.75 4.29 3.74 1dv8A1 GLU 161 HB2 -0.73 -0.03 -0.24 -0.04 2.09 1.05 1dv8A1 GLU 161 HB3 -0.20 0.07 0.23 -0.04 1.99 2.04 1dv8A1 GLU 161 HG2 -0.16 -0.04 0.01 -0.04 2.34 2.12 1dv8A1 GLU 161 HG3 -0.13 0.03 0.06 -0.04 2.34 2.26 1dv8A1 ARG 162 H -0.05 0.08 -0.09 -0.55 8.46 7.84 1dv8A1 ARG 162 HA -0.02 0.03 0.30 -0.75 4.34 3.89 1dv8A1 ARG 162 HB2 -0.04 0.38 0.21 -0.04 1.90 2.41 1dv8A1 ARG 162 HB3 -0.03 -0.12 0.25 -0.04 1.80 1.87 1dv8A1 ARG 162 HG2 -0.03 -0.01 -0.01 -0.04 1.67 1.57 1dv8A1 ARG 162 HG3 -0.04 0.01 -0.17 -0.04 1.67 1.43 1dv8A1 ARG 162 HD2 -0.02 0.01 0.00 -0.04 3.22 3.17 1dv8A1 ARG 162 HD3 -0.02 0.01 0.03 -0.04 3.22 3.20 1dv8A1 SER 163 H 0.04 0.28 -0.43 -0.55 8.46 7.81 1dv8A1 SER 163 HA -0.06 0.19 1.15 -0.75 4.49 5.02 1dv8A1 SER 163 HB2 0.13 0.11 0.03 -0.04 3.95 4.19 1dv8A1 SER 163 HB3 -0.41 0.03 -0.00 -0.04 3.93 3.51 1dv8A1 CYS 164 H -0.14 0.88 0.42 -0.55 8.50 9.11 1dv8A1 CYS 164 HA 0.25 0.21 0.86 -0.75 4.58 5.14 1dv8A1 CYS 164 HB2 -0.04 -0.01 0.09 -0.04 2.97 2.96 1dv8A1 CYS 164 HB3 0.22 0.02 -0.08 -0.04 2.97 3.09 1dv8A1 TYR 165 H 0.56 0.39 0.25 -0.55 8.29 8.94 1dv8A1 TYR 165 HA 0.13 0.39 1.20 -0.75 4.56 5.52 1dv8A1 TYR 165 HB2 0.10 -0.02 0.07 -0.04 3.06 3.17 1dv8A1 TYR 165 HB3 -0.47 0.01 0.02 -0.04 2.98 2.50 1dv8A1 TYR 165 HD2 0.13 0.22 -0.08 -0.04 7.15 7.38 1dv8A1 TYR 165 HE2 0.09 -0.00 -0.11 -0.04 6.85 6.79 1dv8A1 TRP 166 H -0.39 0.59 0.35 -0.55 7.97 7.98 1dv8A1 TRP 166 HA -0.67 0.27 1.00 -0.75 4.62 4.46 1dv8A1 TRP 166 HB2 -3.31 0.04 -0.12 -0.04 3.23 -0.20 1dv8A1 TRP 166 HB3 -1.12 -0.15 0.09 -0.04 3.23 2.01 1dv8A1 TRP 166 HD1 -0.79 0.17 -0.16 -0.04 7.22 6.40 1dv8A1 TRP 166 HE1 -0.11 -0.02 -0.03 -0.04 10.20 10.00 1dv8A1 TRP 166 HE3 -0.30 -0.12 -0.21 -0.04 7.59 6.92 1dv8A1 TRP 166 HZ2 -0.06 -0.01 -0.06 -0.04 7.44 7.27 1dv8A1 TRP 166 HZ3 -0.76 -0.06 -0.10 -0.04 7.13 6.16 1dv8A1 TRP 166 HH2 -0.30 -0.06 -0.05 -0.04 7.19 6.73 1dv8A1 PHE 167 H -0.77 0.27 0.16 -0.55 8.34 7.45 1dv8A1 PHE 167 HA -0.59 0.16 1.13 -0.75 4.62 4.57 1dv8A1 PHE 167 HB2 -0.54 -0.00 0.16 -0.04 3.15 2.73 1dv8A1 PHE 167 HB3 -0.45 0.14 0.01 -0.04 3.06 2.72 1dv8A1 PHE 167 HD2 -0.32 0.04 -0.06 -0.04 7.28 6.90 1dv8A1 PHE 167 HE2 -0.36 -0.01 -0.06 -0.04 7.38 6.91 1dv8A1 PHE 167 HZ -0.63 0.00 -0.08 -0.04 7.32 6.56 1dv8A1 SER 168 H -0.96 0.51 0.35 -0.55 8.46 7.81 1dv8A1 SER 168 HA -1.56 0.05 0.44 -0.75 4.49 2.67 1dv8A1 SER 168 HB2 -1.69 -0.04 0.15 -0.04 3.95 2.34 1dv8A1 SER 168 HB3 -2.35 0.04 0.18 -0.04 3.93 1.77 1dv8A1 ARG 169 H -0.44 0.07 0.18 -0.55 8.46 7.73 1dv8A1 ARG 169 HA -0.25 0.24 0.83 -0.75 4.34 4.41 1dv8A1 ARG 169 HB2 -0.17 -0.05 0.08 -0.04 1.90 1.72 1dv8A1 ARG 169 HB3 -0.14 -0.01 0.19 -0.04 1.80 1.80 1dv8A1 ARG 169 HG2 -0.37 0.06 -0.18 -0.04 1.67 1.14 1dv8A1 ARG 169 HG3 -0.20 -0.04 -0.01 -0.04 1.67 1.38 1dv8A1 ARG 169 HD2 -0.20 -0.07 0.03 -0.04 3.22 2.94 1dv8A1 ARG 169 HD3 -0.29 0.35 0.01 -0.04 3.22 3.24 1dv8A1 SER 170 H -0.29 0.17 0.10 -0.55 8.46 7.89 1dv8A1 SER 170 HA 0.02 0.17 0.66 -0.75 4.49 4.58 1dv8A1 SER 170 HB2 0.11 0.02 0.08 -0.04 3.95 4.13 1dv8A1 SER 170 HB3 0.03 0.06 -0.08 -0.04 3.93 3.90 1dv8A1 GLY 171 H 0.15 0.15 0.06 -0.55 8.43 8.24 1dv8A1 GLY 171 HA2 0.42 0.39 0.54 -0.51 4.01 4.86 1dv8A1 GLY 171 HA3 0.20 0.02 -0.06 -0.51 4.01 3.67 1dv8A1 LYS 172 H 0.43 0.75 0.33 -0.55 8.42 9.37 1dv8A1 LYS 172 HA 0.07 0.12 0.71 -0.75 4.32 4.47 1dv8A1 LYS 172 HB2 -0.65 0.01 -0.07 -0.04 1.87 1.12 1dv8A1 LYS 172 HB3 -0.30 -0.03 -0.05 -0.04 1.79 1.37 1dv8A1 LYS 172 HG2 -0.07 0.00 0.00 -0.04 1.46 1.35 1dv8A1 LYS 172 HG3 0.06 0.04 -0.39 -0.04 1.46 1.13 1dv8A1 LYS 172 HD2 -1.48 -0.01 -0.21 -0.04 1.69 -0.05 1dv8A1 LYS 172 HD3 -0.45 -0.06 -0.34 -0.04 1.68 0.78 1dv8A1 LYS 172 HE2 0.08 0.00 -0.12 -0.04 2.99 2.91 1dv8A1 LYS 172 HE3 -0.09 0.02 -0.10 -0.04 2.99 2.78 1dv8A1 ALA 173 H 0.02 0.08 0.13 -0.55 8.40 8.09 1dv8A1 ALA 173 HA 0.25 0.49 0.34 -0.75 4.34 4.67 1dv8A1 ALA 173 HB3 0.02 -0.01 0.10 -0.04 1.41 1.47 1dv8A1 TRP 174 H -0.13 0.72 0.35 -0.55 7.97 8.36 1dv8A1 TRP 174 HA -0.78 0.09 0.32 -0.75 4.62 3.50 1dv8A1 TRP 174 HB2 -1.76 0.12 0.25 -0.04 3.23 1.80 1dv8A1 TRP 174 HB3 -0.62 -0.11 0.16 -0.04 3.23 2.62 1dv8A1 TRP 174 HD1 -0.99 0.04 0.10 -0.04 7.22 6.33 1dv8A1 TRP 174 HE1 -0.01 0.38 0.22 -0.04 10.20 10.75 1dv8A1 TRP 174 HE3 -0.31 -0.03 -0.36 -0.04 7.59 6.85 1dv8A1 TRP 174 HZ2 0.10 -0.01 -0.10 -0.04 7.44 7.39 1dv8A1 TRP 174 HZ3 -0.30 0.02 -0.05 -0.04 7.13 6.77 1dv8A1 TRP 174 HH2 -0.25 0.04 -0.04 -0.04 7.19 6.90 1dv8A1 ALA 175 H 0.06 0.14 -0.19 -0.55 8.40 7.87 1dv8A1 ALA 175 HA 0.10 0.07 0.36 -0.75 4.34 4.12 1dv8A1 ALA 175 HB3 0.01 0.02 0.03 -0.04 1.41 1.43 1dv8A1 ASP 176 H -0.12 0.13 -0.21 -0.55 8.40 7.64 1dv8A1 ASP 176 HA -0.14 0.05 0.43 -0.75 4.63 4.22 1dv8A1 ASP 176 HB2 -0.17 0.07 0.11 -0.04 2.71 2.68 1dv8A1 ASP 176 HB3 -0.16 0.04 0.02 -0.04 2.70 2.56 1dv8A1 ALA 177 H -0.43 0.60 -0.25 -0.55 8.40 7.77 1dv8A1 ALA 177 HA -1.35 0.02 0.32 -0.75 4.34 2.57 1dv8A1 ALA 177 HB3 -0.69 0.03 -0.04 -0.04 1.41 0.67 1dv8A1 ASP 178 H -0.69 0.73 -0.11 -0.55 8.40 7.79 1dv8A1 ASP 178 HA -0.54 -0.05 0.41 -0.75 4.63 3.69 1dv8A1 ASP 178 HB2 -1.72 -0.02 0.09 -0.04 2.71 1.02 1dv8A1 ASP 178 HB3 -0.50 0.13 0.23 -0.04 2.70 2.52 1dv8A1 ASN 179 H -0.24 0.64 -0.01 -0.55 8.53 8.37 1dv8A1 ASN 179 HA -0.10 0.00 0.38 -0.75 4.76 4.29 1dv8A1 ASN 179 HB2 -0.09 -0.03 0.10 -0.04 2.88 2.83 1dv8A1 ASN 179 HB3 -0.11 0.07 0.15 -0.04 2.79 2.86 1dv8A1 ASN 179 HD21 -0.04 0.00 -0.01 -0.04 7.03 6.94 1dv8A1 ASN 179 HD22 -0.05 -0.01 0.03 -0.04 7.74 7.66 1dv8A1 TYR 180 H -0.12 0.52 -0.37 -0.55 8.29 7.76 1dv8A1 TYR 180 HA -0.08 -0.00 0.34 -0.75 4.56 4.05 1dv8A1 TYR 180 HB2 -0.25 0.04 0.07 -0.04 3.06 2.88 1dv8A1 TYR 180 HB3 -0.32 0.12 0.13 -0.04 2.98 2.87 1dv8A1 TYR 180 HD2 0.23 -0.00 -0.17 -0.04 7.15 7.17 1dv8A1 TYR 180 HE2 -0.39 -0.01 -0.11 -0.04 6.85 6.30 1dv8A1 CYS 181 H 0.04 0.54 -0.11 -0.55 8.50 8.43 1dv8A1 CYS 181 HA 0.13 0.02 0.22 -0.75 4.58 4.20 1dv8A1 CYS 181 HB2 0.04 0.09 0.01 -0.04 2.97 3.07 1dv8A1 CYS 181 HB3 0.13 -0.10 -0.41 -0.04 2.97 2.55 1dv8A1 ARG 182 H -0.05 0.47 -0.24 -0.55 8.46 8.09 1dv8A1 ARG 182 HA 0.00 0.30 0.54 -0.75 4.34 4.43 1dv8A1 ARG 182 HB2 -0.05 0.05 0.16 -0.04 1.90 2.02 1dv8A1 ARG 182 HB3 -0.02 -0.06 0.03 -0.04 1.80 1.71 1dv8A1 ARG 182 HG2 0.03 0.07 0.10 -0.04 1.67 1.83 1dv8A1 ARG 182 HG3 -0.02 0.01 0.08 -0.04 1.67 1.70 1dv8A1 ARG 182 HD2 -0.00 -0.01 0.01 -0.04 3.22 3.17 1dv8A1 ARG 182 HD3 0.02 -0.02 0.01 -0.04 3.22 3.19 1dv8A1 LEU 183 H -0.11 0.62 -0.11 -0.55 8.37 8.23 1dv8A1 LEU 183 HA -0.08 -0.01 0.38 -0.75 4.35 3.89 1dv8A1 LEU 183 HB2 -0.19 0.17 0.17 -0.04 1.64 1.75 1dv8A1 LEU 183 HB3 -0.16 -0.05 0.05 -0.04 1.64 1.44 1dv8A1 LEU 183 HG -0.07 -0.05 0.06 -0.04 1.64 1.54 1dv8A1 LEU 183 HD13 -0.06 0.06 0.01 -0.04 0.93 0.90 1dv8A1 LEU 183 HD23 -0.06 -0.02 -0.04 -0.04 0.89 0.72 1dv8A1 GLU 184 H -0.11 0.32 -0.82 -0.55 8.60 7.44 1dv8A1 GLU 184 HA -0.12 0.10 0.68 -0.75 4.29 4.20 1dv8A1 GLU 184 HB2 0.05 0.11 0.02 -0.04 2.09 2.23 1dv8A1 GLU 184 HB3 0.10 -0.06 0.07 -0.04 1.99 2.06 1dv8A1 GLU 184 HG2 -0.51 0.13 -0.14 -0.04 2.34 1.78 1dv8A1 GLU 184 HG3 -0.38 -0.09 -0.11 -0.04 2.34 1.72 1dv8A1 ASP 185 H -0.06 0.61 -0.27 -0.55 8.40 8.13 1dv8A1 ASP 185 HA -0.03 0.01 0.38 -0.75 4.63 4.23 1dv8A1 ASP 185 HB2 -0.10 -0.02 -0.51 -0.04 2.71 2.04 1dv8A1 ASP 185 HB3 -0.11 -0.02 0.29 -0.04 2.70 2.82 1dv8A1 ALA 186 H 0.01 0.42 -0.06 -0.55 8.40 8.23 1dv8A1 ALA 186 HA -0.03 0.15 0.84 -0.75 4.34 4.54 1dv8A1 ALA 186 HB3 0.17 0.01 -0.12 -0.04 1.41 1.43 1dv8A1 HIS 187 H -0.25 0.54 0.32 -0.55 8.41 8.48 1dv8A1 HIS 187 HA 0.05 0.07 0.63 -0.75 4.63 4.63 1dv8A1 HIS 187 HB2 0.10 -0.07 0.01 -0.04 3.26 3.26 1dv8A1 HIS 187 HB3 0.06 0.10 -0.23 -0.04 3.20 3.10 1dv8A1 HIS 187 HD2 0.04 0.03 -0.06 -0.04 6.97 6.93 1dv8A1 HIS 187 HE1 0.04 -0.16 -0.08 -0.04 7.75 7.50 1dv8A1 LEU 188 H 0.15 0.09 0.15 -0.55 8.37 8.21 1dv8A1 LEU 188 HA 0.23 0.24 0.55 -0.75 4.35 4.62 1dv8A1 LEU 188 HB2 0.17 -0.11 0.10 -0.04 1.64 1.76 1dv8A1 LEU 188 HB3 0.22 -0.02 -0.19 -0.04 1.64 1.61 1dv8A1 LEU 188 HG -0.23 -0.02 0.03 -0.04 1.64 1.38 1dv8A1 LEU 188 HD13 -0.92 0.02 -0.12 -0.04 0.93 -0.13 1dv8A1 LEU 188 HD23 0.06 0.02 -0.18 -0.04 0.89 0.75 1dv8A1 VAL 189 H 0.28 0.60 0.34 -0.55 8.24 8.91 1dv8A1 VAL 189 HA 0.26 0.06 0.29 -0.75 4.13 3.97 1dv8A1 VAL 189 HB 0.26 0.10 -0.03 -0.04 2.12 2.41 1dv8A1 VAL 189 HG13 0.45 -0.01 0.03 -0.04 0.97 1.39 1dv8A1 VAL 189 HG23 0.39 -0.00 -0.18 -0.04 0.95 1.12 1dv8A1 VAL 190 H 0.23 0.23 0.09 -0.55 8.24 8.24 1dv8A1 VAL 190 HA -0.10 0.09 0.78 -0.75 4.13 4.15 1dv8A1 VAL 190 HB -0.02 0.02 0.13 -0.04 2.12 2.21 1dv8A1 VAL 190 HG13 -0.78 -0.02 -0.20 -0.04 0.97 -0.06 1dv8A1 VAL 190 HG23 0.14 0.05 -0.07 -0.04 0.95 1.02 1dv8A1 VAL 191 H -0.62 0.19 -0.03 -0.55 8.24 7.24 1dv8A1 VAL 191 HA -0.02 0.12 0.70 -0.75 4.13 4.17 1dv8A1 VAL 191 HB 0.51 0.03 0.04 -0.04 2.12 2.66 1dv8A1 VAL 191 HG13 0.12 -0.03 -0.23 -0.04 0.97 0.79 1dv8A1 VAL 191 HG23 0.42 0.03 -0.18 -0.04 0.95 1.18 1dv8A1 THR 192 H -0.14 0.20 0.13 -0.55 8.28 7.92 1dv8A1 THR 192 HA -0.03 0.26 1.04 -0.75 4.39 4.90 1dv8A1 THR 192 HB -0.07 0.01 0.20 -0.04 4.32 4.42 1dv8A1 THR 192 HG23 -0.31 0.02 -0.21 -0.04 1.22 0.68 1dv8A1 SER 193 H -0.49 0.19 -0.05 -0.55 8.46 7.56 1dv8A1 SER 193 HA -0.30 0.17 0.44 -0.75 4.49 4.05 1dv8A1 SER 193 HB2 -0.03 -0.01 0.16 -0.04 3.95 4.03 1dv8A1 SER 193 HB3 -0.07 0.30 -0.11 -0.04 3.93 4.01 1dv8A1 TRP 194 H -0.01 0.27 0.14 -0.55 7.97 7.83 1dv8A1 TRP 194 HA -0.25 0.11 0.40 -0.75 4.62 4.12 1dv8A1 TRP 194 HB2 0.02 0.00 0.17 -0.04 3.23 3.39 1dv8A1 TRP 194 HB3 0.02 0.07 -0.04 -0.04 3.23 3.24 1dv8A1 TRP 194 HD1 0.14 0.01 0.05 -0.04 7.22 7.38 1dv8A1 TRP 194 HE1 0.09 0.05 0.02 -0.04 10.20 10.31 1dv8A1 TRP 194 HE3 0.10 -0.12 0.10 -0.04 7.59 7.62 1dv8A1 TRP 194 HZ2 -0.00 0.04 0.01 -0.04 7.44 7.44 1dv8A1 TRP 194 HZ3 0.11 0.03 -0.04 -0.04 7.13 7.19 1dv8A1 TRP 194 HH2 0.02 0.05 -0.02 -0.04 7.19 7.19 1dv8A1 GLU 195 H 0.12 0.11 -0.17 -0.55 8.60 8.10 1dv8A1 GLU 195 HA 0.16 0.13 0.42 -0.75 4.29 4.25 1dv8A1 GLU 195 HB2 0.13 0.08 0.02 -0.04 2.09 2.28 1dv8A1 GLU 195 HB3 0.10 0.02 0.07 -0.04 1.99 2.14 1dv8A1 GLU 195 HG2 0.03 0.07 -0.02 -0.04 2.34 2.38 1dv8A1 GLU 195 HG3 0.04 -0.19 -0.02 -0.04 2.34 2.13 1dv8A1 GLU 196 H -0.01 0.08 -0.30 -0.55 8.60 7.82 1dv8A1 GLU 196 HA 0.19 0.14 0.41 -0.75 4.29 4.28 1dv8A1 GLU 196 HB2 0.04 0.00 0.06 -0.04 2.09 2.15 1dv8A1 GLU 196 HB3 -0.04 -0.08 0.09 -0.04 1.99 1.91 1dv8A1 GLU 196 HG2 0.22 -0.00 -0.15 -0.04 2.34 2.37 1dv8A1 GLU 196 HG3 0.25 0.08 0.01 -0.04 2.34 2.63 1dv8A1 GLN 197 H -0.09 0.45 -0.15 -0.55 8.47 8.13 1dv8A1 GLN 197 HA 0.26 0.04 0.38 -0.75 4.36 4.29 1dv8A1 GLN 197 HB2 0.02 -0.05 -0.02 -0.04 2.15 2.06 1dv8A1 GLN 197 HB3 0.01 0.06 0.16 -0.04 2.02 2.21 1dv8A1 GLN 197 HG2 0.17 -0.01 -0.07 -0.04 2.40 2.45 1dv8A1 GLN 197 HG3 0.36 0.03 -0.33 -0.04 2.39 2.41 1dv8A1 GLN 197 HE21 0.65 0.33 0.03 -0.04 6.97 7.94 1dv8A1 GLN 197 HE22 0.33 -0.06 -0.10 -0.04 7.69 7.82 1dv8A1 LYS 198 H 0.26 0.68 -0.02 -0.55 8.42 8.78 1dv8A1 LYS 198 HA 0.18 0.02 0.32 -0.75 4.32 4.08 1dv8A1 LYS 198 HB2 0.18 0.05 0.19 -0.04 1.87 2.24 1dv8A1 LYS 198 HB3 0.09 0.02 -0.06 -0.04 1.79 1.79 1dv8A1 LYS 198 HG2 0.04 -0.01 -0.00 -0.04 1.46 1.45 1dv8A1 LYS 198 HG3 0.12 -0.00 0.03 -0.04 1.46 1.58 1dv8A1 LYS 198 HD2 0.56 -0.02 0.04 -0.04 1.69 2.22 1dv8A1 LYS 198 HD3 0.25 -0.01 -0.10 -0.04 1.68 1.78 1dv8A1 LYS 198 HE2 -0.14 -0.00 -0.03 -0.04 2.99 2.78 1dv8A1 LYS 198 HE3 -0.18 0.02 -0.02 -0.04 2.99 2.78 1dv8A1 PHE 199 H 0.21 0.44 -0.40 -0.55 8.34 8.04 1dv8A1 PHE 199 HA -0.12 0.01 0.37 -0.75 4.62 4.12 1dv8A1 PHE 199 HB2 -0.35 -0.03 0.09 -0.04 3.15 2.82 1dv8A1 PHE 199 HB3 -0.12 0.09 0.14 -0.04 3.06 3.12 1dv8A1 PHE 199 HD2 -0.50 -0.00 -0.08 -0.04 7.28 6.66 1dv8A1 PHE 199 HE2 -0.78 0.00 -0.10 -0.04 7.38 6.45 1dv8A1 PHE 199 HZ -0.18 0.03 -0.18 -0.04 7.32 6.95 1dv8A1 VAL 200 H 0.06 0.43 -0.26 -0.55 8.24 7.91 1dv8A1 VAL 200 HA -0.24 0.08 0.62 -0.75 4.13 3.83 1dv8A1 VAL 200 HB -0.08 0.06 0.13 -0.04 2.12 2.19 1dv8A1 VAL 200 HG13 -0.45 -0.01 -0.13 -0.04 0.97 0.33 1dv8A1 VAL 200 HG23 0.16 0.03 -0.04 -0.04 0.95 1.06 1dv8A1 GLN 201 H -0.04 0.54 0.02 -0.55 8.47 8.44 1dv8A1 GLN 201 HA -0.16 0.05 0.35 -0.75 4.36 3.84 1dv8A1 GLN 201 HB2 0.02 0.05 0.04 -0.04 2.15 2.23 1dv8A1 GLN 201 HB3 0.00 -0.00 -0.04 -0.04 2.02 1.94 1dv8A1 GLN 201 HG2 0.11 -0.02 0.03 -0.04 2.40 2.47 1dv8A1 GLN 201 HG3 0.13 0.16 -0.00 -0.04 2.39 2.63 1dv8A1 GLN 201 HE21 0.12 -0.02 -0.07 -0.04 6.97 6.97 1dv8A1 GLN 201 HE22 0.06 0.02 -0.10 -0.04 7.69 7.63 1dv8A1 HIS 202 H -0.07 0.37 -0.41 -0.55 8.41 7.76 1dv8A1 HIS 202 HA -0.23 -0.00 0.34 -0.75 4.63 3.98 1dv8A1 HIS 202 HB2 -0.21 -0.02 0.07 -0.04 3.26 3.07 1dv8A1 HIS 202 HB3 -0.40 0.21 0.07 -0.04 3.20 3.03 1dv8A1 HIS 202 HD2 -0.20 -0.03 0.02 -0.04 6.97 6.71 1dv8A1 HIS 202 HE1 -0.35 -0.03 -0.04 -0.04 7.75 7.29 1dv8A1 HIS 203 H -0.40 0.26 -0.25 -0.55 8.41 7.48 1dv8A1 HIS 203 HA -0.70 0.13 0.69 -0.75 4.63 3.99 1dv8A1 HIS 203 HB2 -1.40 0.05 0.10 -0.04 3.26 1.98 1dv8A1 HIS 203 HB3 -1.83 -0.03 0.01 -0.04 3.20 1.30 1dv8A1 HIS 203 HD2 -0.52 -0.00 0.01 -0.04 6.97 6.41 1dv8A1 HIS 203 HE1 -0.15 -0.05 -0.02 -0.04 7.75 7.49 1dv8A1 ILE 204 H -0.32 0.36 -0.07 -0.55 8.25 7.66 1dv8A1 ILE 204 HA -0.25 0.13 0.71 -0.75 4.18 4.01 1dv8A1 ILE 204 HB -0.11 0.00 -0.01 -0.04 1.89 1.73 1dv8A1 ILE 204 HG12 -0.25 0.15 0.12 -0.04 1.49 1.47 1dv8A1 ILE 204 HG13 -0.15 0.31 0.01 -0.04 1.21 1.33 1dv8A1 ILE 204 HG23 -0.05 -0.01 -0.07 -0.04 0.93 0.75 1dv8A1 ILE 204 HD13 -0.31 -0.04 -0.07 -0.04 0.88 0.43 1dv8A1 GLY 205 H -0.22 0.36 -0.04 -0.55 8.43 7.98 1dv8A1 GLY 205 HA2 -0.15 0.04 0.29 -0.51 4.01 3.67 1dv8A1 GLY 205 HA3 -0.16 0.08 0.44 -0.51 4.01 3.86 1dv8A1 PRO 206 HA -0.02 0.28 0.59 -0.51 4.44 4.78 1dv8A1 PRO 206 HB2 -0.03 -0.08 0.23 -0.04 2.28 2.36 1dv8A1 PRO 206 HB3 -0.03 0.03 0.13 -0.04 2.02 2.11 1dv8A1 PRO 206 HG2 -0.06 0.03 0.05 -0.04 2.03 2.01 1dv8A1 PRO 206 HG3 -0.05 -0.02 0.09 -0.04 2.03 2.01 1dv8A1 PRO 206 HD2 -0.10 0.15 0.16 -0.04 3.68 3.85 1dv8A1 PRO 206 HD3 -0.08 0.07 0.16 -0.04 3.65 3.76 1dv8A1 VAL 207 H -0.05 0.63 -0.39 -0.55 8.24 7.88 1dv8A1 VAL 207 HA -0.07 0.05 0.88 -0.75 4.13 4.25 1dv8A1 VAL 207 HB -0.09 0.14 -0.11 -0.04 2.12 2.02 1dv8A1 VAL 207 HG13 -0.08 0.02 -0.18 -0.04 0.97 0.68 1dv8A1 VAL 207 HG23 -0.08 -0.02 -0.27 -0.04 0.95 0.53 1dv8A1 ASN 208 H -0.17 0.06 0.04 -0.55 8.53 7.92 1dv8A1 ASN 208 HA -0.08 0.30 0.39 -0.75 4.76 4.61 1dv8A1 ASN 208 HB2 -0.82 -0.03 0.13 -0.04 2.88 2.12 1dv8A1 ASN 208 HB3 -1.98 -0.01 -0.06 -0.04 2.79 0.70 1dv8A1 ASN 208 HD21 -0.04 -0.03 -0.00 -0.04 7.03 6.91 1dv8A1 ASN 208 HD22 -0.18 0.03 0.02 -0.04 7.74 7.57 1dv8A1 THR 209 H 0.11 0.42 0.25 -0.55 8.28 8.51 1dv8A1 THR 209 HA -0.03 0.22 0.94 -0.75 4.39 4.75 1dv8A1 THR 209 HB 0.36 -0.11 0.06 -0.04 4.32 4.58 1dv8A1 THR 209 HG23 0.21 0.01 -0.40 -0.04 1.22 0.99 1dv8A1 TRP 210 H 0.29 0.60 0.28 -0.55 7.97 8.60 1dv8A1 TRP 210 HA 0.37 0.08 0.55 -0.75 4.62 4.88 1dv8A1 TRP 210 HB2 0.36 -0.03 0.14 -0.04 3.23 3.66 1dv8A1 TRP 210 HB3 0.35 0.01 0.05 -0.04 3.23 3.60 1dv8A1 TRP 210 HD1 0.26 0.06 -0.10 -0.04 7.22 7.40 1dv8A1 TRP 210 HE1 0.12 0.28 0.25 -0.04 10.20 10.81 1dv8A1 TRP 210 HE3 0.48 0.25 -0.26 -0.04 7.59 8.02 1dv8A1 TRP 210 HZ2 -0.07 0.19 -0.02 -0.04 7.44 7.50 1dv8A1 TRP 210 HZ3 0.38 0.13 -0.37 -0.04 7.13 7.23 1dv8A1 TRP 210 HH2 0.15 -0.07 -0.50 -0.04 7.19 6.72 1dv8A1 MET 211 H 0.52 0.59 0.48 -0.55 8.47 9.52 1dv8A1 MET 211 HA 0.39 0.16 0.96 -0.75 4.52 5.26 1dv8A1 MET 211 HB2 0.17 0.02 0.09 -0.04 2.15 2.39 1dv8A1 MET 211 HB3 -0.34 0.04 -0.07 -0.04 2.03 1.62 1dv8A1 MET 211 HG2 -0.23 0.13 -0.08 -0.04 2.63 2.40 1dv8A1 MET 211 HG3 -0.13 -0.08 -0.26 -0.04 2.56 2.05 1dv8A1 MET 211 HE3 -1.80 0.01 -0.28 -0.04 2.10 -0.01 1dv8A1 GLY 212 H 0.42 0.83 0.08 -0.55 8.43 9.22 1dv8A1 GLY 212 HA2 0.43 0.05 0.42 -0.51 4.01 4.39 1dv8A1 GLY 212 HA3 0.44 0.13 0.35 -0.51 4.01 4.42 1dv8A1 LEU 213 H 0.29 0.53 -0.29 -0.55 8.37 8.36 1dv8A1 LEU 213 HA -0.17 0.36 1.08 -0.75 4.35 4.86 1dv8A1 LEU 213 HB2 -1.59 0.00 -0.17 -0.04 1.64 -0.16 1dv8A1 LEU 213 HB3 -0.56 -0.05 0.02 -0.04 1.64 1.01 1dv8A1 LEU 213 HG -0.24 -0.05 -0.23 -0.04 1.64 1.08 1dv8A1 LEU 213 HD13 -0.88 0.04 -0.12 -0.04 0.93 -0.08 1dv8A1 LEU 213 HD23 -1.05 -0.00 -0.11 -0.04 0.89 -0.31 1dv8A1 HIS 214 H -0.17 0.51 0.40 -0.55 8.41 8.60 1dv8A1 HIS 214 HA 0.07 0.14 0.82 -0.75 4.63 4.90 1dv8A1 HIS 214 HB2 -0.72 0.05 0.29 -0.04 3.26 2.84 1dv8A1 HIS 214 HB3 -0.86 0.05 -0.09 -0.04 3.20 2.26 1dv8A1 HIS 214 HD2 0.24 0.02 -0.12 -0.04 6.97 7.06 1dv8A1 HIS 214 HE1 -0.11 0.02 -0.09 -0.04 7.75 7.52 1dv8A1 ASP 215 H -0.58 0.44 0.26 -0.55 8.40 7.97 1dv8A1 ASP 215 HA -0.71 0.36 0.61 -0.75 4.63 4.13 1dv8A1 ASP 215 HB2 -1.07 0.36 0.09 -0.04 2.71 2.06 1dv8A1 ASP 215 HB3 -2.86 -0.09 -0.14 -0.04 2.70 -0.43 1dv8A1 GLN 216 H 0.09 0.14 -0.04 -0.55 8.47 8.11 1dv8A1 GLN 216 HA -0.21 0.06 0.44 -0.75 4.36 3.89 1dv8A1 GLN 216 HB2 -0.19 0.02 0.05 -0.04 2.15 1.99 1dv8A1 GLN 216 HB3 -0.20 0.06 0.00 -0.04 2.02 1.84 1dv8A1 GLN 216 HG2 -0.32 -0.01 0.05 -0.04 2.40 2.08 1dv8A1 GLN 216 HG3 -0.42 -0.03 0.08 -0.04 2.39 1.98 1dv8A1 GLN 216 HE21 -0.34 -0.00 -0.02 -0.04 6.97 6.57 1dv8A1 GLN 216 HE22 -0.30 0.00 -0.00 -0.04 7.69 7.36 1dv8A1 ASN 217 H -0.08 0.10 -0.36 -0.55 8.53 7.64 1dv8A1 ASN 217 HA -0.07 0.21 0.83 -0.75 4.76 4.97 1dv8A1 ASN 217 HB2 -0.02 0.03 -0.05 -0.04 2.88 2.80 1dv8A1 ASN 217 HB3 -0.03 0.02 0.12 -0.04 2.79 2.86 1dv8A1 ASN 217 HD21 0.03 0.00 -0.07 -0.04 7.03 6.96 1dv8A1 ASN 217 HD22 0.10 0.03 -0.06 -0.04 7.74 7.77 1dv8A1 GLY 218 H -0.23 0.32 -0.48 -0.55 8.43 7.50 1dv8A1 GLY 218 HA2 -0.17 -0.01 0.27 -0.51 4.01 3.59 1dv8A1 GLY 218 HA3 -0.13 0.22 0.95 -0.51 4.01 4.54 1dv8A1 PRO 219 HA -0.28 0.07 0.61 -0.51 4.44 4.32 1dv8A1 PRO 219 HB2 -0.05 0.08 0.03 -0.04 2.28 2.30 1dv8A1 PRO 219 HB3 -0.07 0.00 0.09 -0.04 2.02 2.01 1dv8A1 PRO 219 HG2 -0.08 0.04 -0.07 -0.04 2.03 1.87 1dv8A1 PRO 219 HG3 -0.04 0.03 0.03 -0.04 2.03 2.01 1dv8A1 PRO 219 HD2 -0.11 0.17 -0.05 -0.04 3.68 3.65 1dv8A1 PRO 219 HD3 -0.09 0.11 0.13 -0.04 3.65 3.76 1dv8A1 TRP 220 H -0.22 0.07 0.17 -0.55 7.97 7.44 1dv8A1 TRP 220 HA -0.40 0.18 0.49 -0.75 4.62 4.13 1dv8A1 TRP 220 HB2 -1.16 -0.04 0.13 -0.04 3.23 2.12 1dv8A1 TRP 220 HB3 -1.05 0.01 -0.05 -0.04 3.23 2.10 1dv8A1 TRP 220 HD1 -0.33 0.01 0.04 -0.04 7.22 6.90 1dv8A1 TRP 220 HE1 -0.26 0.02 -0.02 -0.04 10.20 9.90 1dv8A1 TRP 220 HE3 -0.33 0.05 -0.18 -0.04 7.59 7.09 1dv8A1 TRP 220 HZ2 -0.16 -0.05 -0.06 -0.04 7.44 7.13 1dv8A1 TRP 220 HZ3 -0.07 0.05 -0.39 -0.04 7.13 6.67 1dv8A1 TRP 220 HH2 0.11 -0.06 -0.30 -0.04 7.19 6.89 1dv8A1 LYS 221 H -0.24 0.42 0.40 -0.55 8.42 8.45 1dv8A1 LYS 221 HA 0.05 0.11 0.80 -0.75 4.32 4.53 1dv8A1 LYS 221 HB2 -0.27 -0.05 -0.01 -0.04 1.87 1.50 1dv8A1 LYS 221 HB3 0.02 0.06 -0.06 -0.04 1.79 1.77 1dv8A1 LYS 221 HG2 -0.00 -0.00 -0.10 -0.04 1.46 1.32 1dv8A1 LYS 221 HG3 -0.14 0.19 -0.52 -0.04 1.46 0.95 1dv8A1 LYS 221 HD2 -0.07 -0.07 -0.10 -0.04 1.69 1.41 1dv8A1 LYS 221 HD3 0.02 0.01 -0.08 -0.04 1.68 1.59 1dv8A1 LYS 221 HE2 -0.00 -0.01 -0.07 -0.04 2.99 2.87 1dv8A1 LYS 221 HE3 -0.07 0.03 -0.12 -0.04 2.99 2.79 1dv8A1 TRP 222 H 0.35 0.29 0.16 -0.55 7.97 8.22 1dv8A1 TRP 222 HA 0.14 0.38 0.86 -0.75 4.62 5.25 1dv8A1 TRP 222 HB2 0.09 0.06 0.15 -0.04 3.23 3.49 1dv8A1 TRP 222 HB3 0.07 -0.05 0.08 -0.04 3.23 3.28 1dv8A1 TRP 222 HD1 0.21 0.14 -0.35 -0.04 7.22 7.18 1dv8A1 TRP 222 HE1 0.20 0.12 -0.11 -0.04 10.20 10.37 1dv8A1 TRP 222 HE3 0.08 0.15 -0.03 -0.04 7.59 7.75 1dv8A1 TRP 222 HZ2 0.21 0.19 -0.02 -0.04 7.44 7.77 1dv8A1 TRP 222 HZ3 -0.14 0.08 -0.01 -0.04 7.13 7.02 1dv8A1 TRP 222 HH2 -0.74 -0.00 -0.04 -0.04 7.19 6.37 1dv8A1 VAL 223 H 0.40 0.64 0.33 -0.55 8.24 9.07 1dv8A1 VAL 223 HA 0.26 0.06 0.32 -0.75 4.13 4.01 1dv8A1 VAL 223 HB 0.19 0.02 0.14 -0.04 2.12 2.43 1dv8A1 VAL 223 HG13 0.45 0.03 0.06 -0.04 0.97 1.48 1dv8A1 VAL 223 HG23 0.20 -0.02 0.04 -0.04 0.95 1.13 1dv8A1 ASP 224 H 0.12 -0.02 -0.57 -0.55 8.40 7.38 1dv8A1 ASP 224 HA -0.03 0.26 0.82 -0.75 4.63 4.92 1dv8A1 ASP 224 HB2 -0.18 0.06 0.11 -0.04 2.71 2.66 1dv8A1 ASP 224 HB3 -0.65 0.03 -0.03 -0.04 2.70 2.01 1dv8A1 GLY 225 H 0.15 0.65 -0.06 -0.55 8.43 8.63 1dv8A1 GLY 225 HA2 0.12 0.02 0.30 -0.51 4.01 3.93 1dv8A1 GLY 225 HA3 0.07 0.16 0.62 -0.51 4.01 4.35 1dv8A1 THR 226 H 0.11 -0.04 -0.30 -0.55 8.28 7.51 1dv8A1 THR 226 HA 0.06 0.05 0.36 -0.75 4.39 4.11 1dv8A1 THR 226 HB -0.09 -0.09 -0.01 -0.04 4.32 4.09 1dv8A1 THR 226 HG23 -0.09 0.04 -0.12 -0.04 1.22 1.01 1dv8A1 ASP 227 H 0.11 0.09 0.17 -0.55 8.40 8.23 1dv8A1 ASP 227 HA 0.23 0.10 0.50 -0.75 4.63 4.70 1dv8A1 ASP 227 HB2 0.11 0.10 0.14 -0.04 2.71 3.02 1dv8A1 ASP 227 HB3 0.11 0.00 0.10 -0.04 2.70 2.88 1dv8A1 TYR 228 H 0.39 0.16 0.20 -0.55 8.29 8.49 1dv8A1 TYR 228 HA 0.52 0.20 0.59 -0.75 4.56 5.12 1dv8A1 TYR 228 HB2 0.20 -0.00 -0.08 -0.04 3.06 3.14 1dv8A1 TYR 228 HB3 0.21 0.03 0.15 -0.04 2.98 3.32 1dv8A1 TYR 228 HD2 0.02 -0.03 -0.15 -0.04 7.15 6.95 1dv8A1 TYR 228 HE2 0.08 -0.02 -0.08 -0.04 6.85 6.80 1dv8A1 GLU 229 H 0.33 0.08 0.09 -0.55 8.60 8.55 1dv8A1 GLU 229 HA 0.02 0.15 0.39 -0.75 4.29 4.09 1dv8A1 GLU 229 HB2 0.11 0.06 0.03 -0.04 2.09 2.25 1dv8A1 GLU 229 HB3 0.24 0.00 0.11 -0.04 1.99 2.30 1dv8A1 GLU 229 HG2 0.19 -0.12 0.12 -0.04 2.34 2.48 1dv8A1 GLU 229 HG3 0.11 0.04 -0.04 -0.04 2.34 2.41 1dv8A1 THR 230 H 0.11 -0.04 -0.37 -0.55 8.28 7.43 1dv8A1 THR 230 HA 0.04 0.13 0.51 -0.75 4.39 4.32 1dv8A1 THR 230 HB 0.08 -0.06 -0.04 -0.04 4.32 4.26 1dv8A1 THR 230 HG23 0.05 0.00 -0.04 -0.04 1.22 1.19 1dv8A1 GLY 231 H 0.07 0.14 -0.63 -0.55 8.43 7.46 1dv8A1 GLY 231 HA2 0.07 0.05 0.58 -0.51 4.01 4.19 1dv8A1 GLY 231 HA3 0.11 0.07 0.31 -0.51 4.01 4.00 1dv8A1 PHE 232 H 0.19 0.04 0.13 -0.55 8.34 8.14 1dv8A1 PHE 232 HA -0.12 0.04 0.37 -0.75 4.62 4.16 1dv8A1 PHE 232 HB2 -0.08 0.05 -0.26 -0.04 3.15 2.82 1dv8A1 PHE 232 HB3 -0.02 0.08 -0.01 -0.04 3.06 3.07 1dv8A1 PHE 232 HD2 -0.05 0.10 -0.23 -0.04 7.28 7.05 1dv8A1 PHE 232 HE2 -1.13 0.00 -0.16 -0.04 7.38 6.05 1dv8A1 PHE 232 HZ -1.28 0.04 -0.15 -0.04 7.32 5.89 1dv8A1 LYS 233 H -1.13 0.25 0.18 -0.55 8.42 7.16 1dv8A1 LYS 233 HA -0.74 0.10 0.68 -0.75 4.32 3.62 1dv8A1 LYS 233 HB2 -0.36 0.01 0.03 -0.04 1.87 1.50 1dv8A1 LYS 233 HB3 -0.30 -0.11 0.00 -0.04 1.79 1.34 1dv8A1 LYS 233 HG2 -0.24 -0.01 -0.10 -0.04 1.46 1.07 1dv8A1 LYS 233 HG3 -0.26 0.29 -0.53 -0.04 1.46 0.92 1dv8A1 LYS 233 HD2 -0.07 -0.04 -0.05 -0.04 1.69 1.48 1dv8A1 LYS 233 HD3 0.08 -0.10 -0.06 -0.04 1.68 1.56 1dv8A1 LYS 233 HE2 -0.13 -0.12 -0.04 -0.04 2.99 2.66 1dv8A1 LYS 233 HE3 -1.10 0.00 -0.17 -0.04 2.99 1.68 1dv8A1 ASN 234 H -2.95 0.14 -0.02 -0.55 8.53 5.15 1dv8A1 ASN 234 HA -0.95 0.22 0.73 -0.75 4.76 4.02 1dv8A1 ASN 234 HB2 -1.35 -0.03 -0.27 -0.04 2.88 1.19 1dv8A1 ASN 234 HB3 -1.94 -0.01 0.07 -0.04 2.79 0.87 1dv8A1 ASN 234 HD21 -0.02 0.00 -0.05 -0.04 7.03 6.93 1dv8A1 ASN 234 HD22 -0.45 0.08 0.02 -0.04 7.74 7.35 1dv8A1 TRP 235 H -0.46 0.13 -0.05 -0.55 7.97 7.04 1dv8A1 TRP 235 HA -0.21 -0.04 0.44 -0.75 4.62 4.05 1dv8A1 TRP 235 HB2 -0.17 0.00 0.01 -0.04 3.23 3.02 1dv8A1 TRP 235 HB3 -0.09 0.20 -0.10 -0.04 3.23 3.20 1dv8A1 TRP 235 HD1 -0.19 0.02 -0.02 -0.04 7.22 6.99 1dv8A1 TRP 235 HE1 0.05 0.04 -0.04 -0.04 10.20 10.21 1dv8A1 TRP 235 HE3 0.02 0.14 -0.40 -0.04 7.59 7.31 1dv8A1 TRP 235 HZ2 -1.39 0.01 -0.09 -0.04 7.44 5.92 1dv8A1 TRP 235 HZ3 -0.09 -0.09 -0.41 -0.04 7.13 6.50 1dv8A1 TRP 235 HH2 -1.41 -0.03 -0.18 -0.04 7.19 5.53 1dv8A1 ARG 236 H 0.25 0.53 0.21 -0.55 8.46 8.89 1dv8A1 ARG 236 HA 0.04 0.09 0.59 -0.75 4.34 4.30 1dv8A1 ARG 236 HB2 0.13 0.24 0.09 -0.04 1.90 2.32 1dv8A1 ARG 236 HB3 0.07 0.09 -0.11 -0.04 1.80 1.81 1dv8A1 ARG 236 HG2 0.05 -0.00 0.01 -0.04 1.67 1.68 1dv8A1 ARG 236 HG3 0.07 -0.01 -0.17 -0.04 1.67 1.52 1dv8A1 ARG 236 HD2 0.04 0.03 -0.06 -0.04 3.22 3.20 1dv8A1 ARG 236 HD3 0.04 0.02 -0.01 -0.04 3.22 3.23 1dv8A1 PRO 237 HA 0.02 0.01 0.37 -0.51 4.44 4.32 1dv8A1 PRO 237 HB2 0.01 0.01 0.04 -0.04 2.28 2.30 1dv8A1 PRO 237 HB3 0.01 0.02 0.08 -0.04 2.02 2.08 1dv8A1 PRO 237 HG2 0.01 0.03 0.07 -0.04 2.03 2.11 1dv8A1 PRO 237 HG3 0.02 0.06 0.09 -0.04 2.03 2.15 1dv8A1 PRO 237 HD2 0.03 0.07 0.16 -0.04 3.68 3.89 1dv8A1 PRO 237 HD3 0.03 0.15 0.23 -0.04 3.65 4.01 1dv8A1 GLU 238 H -0.01 0.11 0.16 -0.55 8.60 8.32 1dv8A1 GLU 238 HA -0.03 -0.00 0.30 -0.75 4.29 3.81 1dv8A1 GLU 238 HB2 -0.02 0.23 0.14 -0.04 2.09 2.40 1dv8A1 GLU 238 HB3 -0.03 -0.05 0.16 -0.04 1.99 2.03 1dv8A1 GLU 238 HG2 -0.01 -0.00 -0.05 -0.04 2.34 2.23 1dv8A1 GLU 238 HG3 -0.01 -0.13 -0.51 -0.04 2.34 1.65 1dv8A1 GLN 239 H -0.01 0.44 -0.13 -0.55 8.47 8.22 1dv8A1 GLN 239 HA -0.06 -0.01 0.57 -0.75 4.36 4.10 1dv8A1 GLN 239 HB2 0.19 0.14 0.05 -0.04 2.15 2.49 1dv8A1 GLN 239 HB3 0.13 -0.26 0.12 -0.04 2.02 1.97 1dv8A1 GLN 239 HG2 0.05 0.22 -0.48 -0.04 2.40 2.15 1dv8A1 GLN 239 HG3 0.11 -0.02 -0.01 -0.04 2.39 2.43 1dv8A1 GLN 239 HE21 -0.03 -0.08 -0.00 -0.04 6.97 6.82 1dv8A1 GLN 239 HE22 -0.00 0.06 -0.09 -0.04 7.69 7.62 1dv8A1 PRO 240 HA -0.16 -0.07 0.41 -0.51 4.44 4.11 1dv8A1 PRO 240 HB2 -0.08 0.07 -0.05 -0.04 2.28 2.18 1dv8A1 PRO 240 HB3 -0.10 -0.04 0.06 -0.04 2.02 1.90 1dv8A1 PRO 240 HG2 -1.12 0.05 0.04 -0.04 2.03 0.96 1dv8A1 PRO 240 HG3 -3.95 -0.01 -0.02 -0.04 2.03 -2.00 1dv8A1 PRO 240 HD2 -0.70 0.09 0.16 -0.04 3.68 3.19 1dv8A1 PRO 240 HD3 -2.06 0.18 0.49 -0.04 3.65 2.21 1dv8A1 ASP 241 H 0.07 0.01 0.24 -0.55 8.40 8.17 1dv8A1 ASP 241 HA 0.03 0.32 0.97 -0.75 4.63 5.19 1dv8A1 ASP 241 HB2 0.05 0.01 0.17 -0.04 2.71 2.89 1dv8A1 ASP 241 HB3 0.01 0.39 0.06 -0.04 2.70 3.11 1dv8A1 ASP 242 H 0.15 0.00 0.10 -0.55 8.40 8.10 1dv8A1 ASP 242 HA 0.16 -0.01 0.37 -0.75 4.63 4.40 1dv8A1 ASP 242 HB2 0.09 0.02 -0.06 -0.04 2.71 2.71 1dv8A1 ASP 242 HB3 0.16 0.13 -0.01 -0.04 2.70 2.94 1dv8A1 TRP 243 H 0.39 -0.02 -0.32 -0.55 7.97 7.48 1dv8A1 TRP 243 HA 0.14 0.09 0.41 -0.75 4.62 4.51 1dv8A1 TRP 243 HB2 0.11 0.06 0.04 -0.04 3.23 3.40 1dv8A1 TRP 243 HB3 0.16 -0.00 0.00 -0.04 3.23 3.35 1dv8A1 TRP 243 HD1 0.07 0.11 0.13 -0.04 7.22 7.48 1dv8A1 TRP 243 HE1 0.03 0.11 0.07 -0.04 10.20 10.37 1dv8A1 TRP 243 HE3 0.22 0.01 -0.08 -0.04 7.59 7.69 1dv8A1 TRP 243 HZ2 0.04 0.10 -0.08 -0.04 7.44 7.45 1dv8A1 TRP 243 HZ3 0.15 0.04 -0.07 -0.04 7.13 7.21 1dv8A1 TRP 243 HH2 0.08 0.09 -0.15 -0.04 7.19 7.17 1dv8A1 TYR 244 H -0.03 0.07 0.26 -0.55 8.29 8.04 1dv8A1 TYR 244 HA -0.59 0.45 0.98 -0.75 4.56 4.65 1dv8A1 TYR 244 HB2 -0.20 -0.01 0.12 -0.04 3.06 2.92 1dv8A1 TYR 244 HB3 -0.31 -0.04 0.05 -0.04 2.98 2.65 1dv8A1 TYR 244 HD2 -0.07 0.02 -0.02 -0.04 7.15 7.04 1dv8A1 TYR 244 HE2 -0.03 -0.00 -0.03 -0.04 6.85 6.75 1dv8A1 GLY 245 H -1.66 0.01 0.12 -0.55 8.43 6.36 1dv8A1 GLY 245 HA2 -0.46 0.09 0.32 -0.51 4.01 3.45 1dv8A1 GLY 245 HA3 -0.67 0.06 0.33 -0.51 4.01 3.22 1dv8A1 HIS 246 H -1.99 0.08 -0.70 -0.55 8.41 5.26 1dv8A1 HIS 246 HA -0.44 0.11 0.42 -0.75 4.63 3.96 1dv8A1 HIS 246 HB2 -0.13 0.02 0.02 -0.04 3.26 3.13 1dv8A1 HIS 246 HB3 -0.21 -0.00 0.02 -0.04 3.20 2.96 1dv8A1 HIS 246 HD2 -0.10 -0.08 -0.18 -0.04 6.97 6.56 1dv8A1 HIS 246 HE1 -0.23 0.11 -0.29 -0.04 7.75 7.29 1dv8A1 GLY 247 H -0.60 0.41 -0.13 -0.55 8.43 7.57 1dv8A1 GLY 247 HA2 -0.13 0.01 0.30 -0.51 4.01 3.67 1dv8A1 GLY 247 HA3 -0.07 0.17 0.49 -0.51 4.01 4.08 1dv8A1 LEU 248 H 0.58 0.03 -0.30 -0.55 8.37 8.13 1dv8A1 LEU 248 HA 0.03 0.19 0.63 -0.75 4.35 4.44 1dv8A1 LEU 248 HB2 -0.12 -0.01 -0.01 -0.04 1.64 1.45 1dv8A1 LEU 248 HB3 -0.05 -0.01 0.09 -0.04 1.64 1.63 1dv8A1 LEU 248 HG -0.05 -0.02 -0.02 -0.04 1.64 1.52 1dv8A1 LEU 248 HD13 0.02 0.02 -0.20 -0.04 0.93 0.73 1dv8A1 LEU 248 HD23 -0.11 -0.03 -0.06 -0.04 0.89 0.65 1dv8A1 GLY 249 H 0.05 -0.02 -0.25 -0.55 8.43 7.66 1dv8A1 GLY 249 HA2 0.01 -0.05 0.36 -0.51 4.01 3.81 1dv8A1 GLY 249 HA3 0.00 0.18 0.74 -0.51 4.01 4.42 1dv8A1 GLY 250 H 0.02 0.06 0.13 -0.55 8.43 8.10 1dv8A1 GLY 250 HA2 -0.11 -0.00 0.33 -0.51 4.01 3.72 1dv8A1 GLY 250 HA3 -0.15 0.12 0.55 -0.51 4.01 4.02 1dv8A1 GLY 251 H -0.41 0.03 0.01 -0.55 8.43 7.51 1dv8A1 GLY 251 HA2 -1.07 0.29 0.49 -0.51 4.01 3.21 1dv8A1 GLY 251 HA3 -0.46 -0.01 0.27 -0.51 4.01 3.29 1dv8A1 GLU 252 H -0.03 0.21 -0.01 -0.55 8.60 8.23 1dv8A1 GLU 252 HA 0.03 0.06 0.41 -0.75 4.29 4.04 1dv8A1 GLU 252 HB2 0.21 -0.17 -0.04 -0.04 2.09 2.04 1dv8A1 GLU 252 HB3 0.25 -0.03 -0.56 -0.04 1.99 1.61 1dv8A1 GLU 252 HG2 0.20 -0.13 -0.14 -0.04 2.34 2.23 1dv8A1 GLU 252 HG3 0.26 0.37 -0.59 -0.04 2.34 2.35 1dv8A1 ASP 253 H -0.07 0.13 0.13 -0.55 8.40 8.05 1dv8A1 ASP 253 HA -0.18 0.27 1.02 -0.75 4.63 4.98 1dv8A1 ASP 253 HB2 -0.27 0.01 0.06 -0.04 2.71 2.46 1dv8A1 ASP 253 HB3 -0.31 -0.14 0.02 -0.04 2.70 2.23 1dv8A1 CYS 254 H 0.08 0.39 0.21 -0.55 8.50 8.64 1dv8A1 CYS 254 HA -0.24 0.26 1.28 -0.75 4.58 5.13 1dv8A1 CYS 254 HB2 -0.50 0.01 0.12 -0.04 2.97 2.55 1dv8A1 CYS 254 HB3 -0.90 0.15 0.10 -0.04 2.97 2.28 1dv8A1 ALA 255 H 0.23 0.73 0.40 -0.55 8.40 9.21 1dv8A1 ALA 255 HA 0.35 0.21 0.84 -0.75 4.34 4.98 1dv8A1 ALA 255 HB3 -0.23 -0.02 0.00 -0.04 1.41 1.12 1dv8A1 HIS 256 H 0.03 0.53 0.35 -0.55 8.41 8.78 1dv8A1 HIS 256 HA 0.05 0.21 0.82 -0.75 4.63 4.96 1dv8A1 HIS 256 HB2 -0.17 -0.00 -0.44 -0.04 3.26 2.62 1dv8A1 HIS 256 HB3 0.17 -0.06 -0.39 -0.04 3.20 2.87 1dv8A1 HIS 256 HD2 0.29 -0.02 -0.20 -0.04 6.97 6.99 1dv8A1 HIS 256 HE1 -0.14 -0.08 -0.13 -0.04 7.75 7.36 1dv8A1 PHE 257 H 0.17 0.61 0.25 -0.55 8.34 8.82 1dv8A1 PHE 257 HA 0.17 0.05 0.30 -0.75 4.62 4.38 1dv8A1 PHE 257 HB2 0.08 0.04 0.08 -0.04 3.15 3.32 1dv8A1 PHE 257 HB3 0.14 0.06 -0.01 -0.04 3.06 3.21 1dv8A1 PHE 257 HD2 0.24 0.23 0.03 -0.04 7.28 7.75 1dv8A1 PHE 257 HE2 0.26 -0.02 -0.10 -0.04 7.38 7.48 1dv8A1 PHE 257 HZ 0.14 -0.09 -0.11 -0.04 7.32 7.22 1dv8A1 THR 258 H 0.16 0.68 0.02 -0.55 8.28 8.59 1dv8A1 THR 258 HA 0.13 0.10 0.50 -0.75 4.39 4.37 1dv8A1 THR 258 HB 0.07 -0.13 0.10 -0.04 4.32 4.32 1dv8A1 THR 258 HG23 -0.03 0.06 -0.13 -0.04 1.22 1.08 1dv8A1 ASP 259 H 0.05 0.13 0.02 -0.55 8.40 8.05 1dv8A1 ASP 259 HA 0.02 0.13 0.12 -0.75 4.63 4.14 1dv8A1 ASP 259 HB2 0.00 0.06 0.02 -0.04 2.71 2.75 1dv8A1 ASP 259 HB3 0.01 0.06 -0.02 -0.04 2.70 2.71 1dv8A1 ASP 260 H 0.06 0.02 -0.29 -0.55 8.40 7.64 1dv8A1 ASP 260 HA 0.04 0.26 0.73 -0.75 4.63 4.91 1dv8A1 ASP 260 HB2 0.05 0.04 0.16 -0.04 2.71 2.91 1dv8A1 ASP 260 HB3 0.03 0.01 0.02 -0.04 2.70 2.72 1dv8A1 GLY 261 H 0.12 0.51 -0.61 -0.55 8.43 7.90 1dv8A1 GLY 261 HA2 0.23 0.08 0.25 -0.51 4.01 4.07 1dv8A1 GLY 261 HA3 0.18 0.10 0.46 -0.51 4.01 4.24 1dv8A1 ARG 262 H 0.12 0.04 -0.62 -0.55 8.46 7.44 1dv8A1 ARG 262 HA -0.06 0.22 0.53 -0.75 4.34 4.28 1dv8A1 ARG 262 HB2 0.05 -0.12 -0.03 -0.04 1.90 1.77 1dv8A1 ARG 262 HB3 -0.03 0.05 -0.20 -0.04 1.80 1.58 1dv8A1 ARG 262 HG2 -0.04 0.06 -0.11 -0.04 1.67 1.53 1dv8A1 ARG 262 HG3 0.07 0.03 -0.09 -0.04 1.67 1.65 1dv8A1 ARG 262 HD2 0.01 0.08 -0.03 -0.04 3.22 3.24 1dv8A1 ARG 262 HD3 0.05 -0.01 -0.03 -0.04 3.22 3.20 1dv8A1 TRP 263 H -0.25 0.51 0.23 -0.55 7.97 7.91 1dv8A1 TRP 263 HA -0.24 0.31 0.60 -0.75 4.62 4.53 1dv8A1 TRP 263 HB2 -0.89 -0.12 -0.12 -0.04 3.23 2.07 1dv8A1 TRP 263 HB3 -0.69 -0.03 -0.05 -0.04 3.23 2.42 1dv8A1 TRP 263 HD1 -0.13 0.13 -0.22 -0.04 7.22 6.96 1dv8A1 TRP 263 HE1 0.20 0.04 -0.06 -0.04 10.20 10.34 1dv8A1 TRP 263 HE3 -2.40 0.02 -0.13 -0.04 7.59 5.04 1dv8A1 TRP 263 HZ2 0.39 -0.01 -0.14 -0.04 7.44 7.64 1dv8A1 TRP 263 HZ3 -0.46 0.12 0.00 -0.04 7.13 6.75 1dv8A1 TRP 263 HH2 0.34 0.30 -0.14 -0.04 7.19 7.65 1dv8A1 ASN 264 H -0.08 0.54 0.32 -0.55 8.53 8.77 1dv8A1 ASN 264 HA 0.33 0.04 0.65 -0.75 4.76 5.03 1dv8A1 ASN 264 HB2 0.05 0.07 -0.10 -0.04 2.88 2.85 1dv8A1 ASN 264 HB3 -0.32 0.04 -0.06 -0.04 2.79 2.40 1dv8A1 ASN 264 HD21 0.29 -0.00 -0.09 -0.04 7.03 7.18 1dv8A1 ASN 264 HD22 0.40 -0.03 -0.17 -0.04 7.74 7.91 1dv8A1 ASP 265 H 0.30 0.06 0.19 -0.55 8.40 8.40 1dv8A1 ASP 265 HA 0.49 0.34 0.76 -0.75 4.63 5.47 1dv8A1 ASP 265 HB2 0.45 0.09 -0.15 -0.04 2.71 3.06 1dv8A1 ASP 265 HB3 0.51 0.01 -0.03 -0.04 2.70 3.15 1dv8A1 ASP 266 H 0.52 0.68 0.30 -0.55 8.40 9.35 1dv8A1 ASP 266 HA 0.35 0.12 0.68 -0.75 4.63 5.03 1dv8A1 ASP 266 HB2 0.61 0.04 -0.36 -0.04 2.71 2.95 1dv8A1 ASP 266 HB3 0.60 0.08 -0.15 -0.04 2.70 3.19 1dv8A1 VAL 267 H 0.13 0.20 0.13 -0.55 8.24 8.15 1dv8A1 VAL 267 HA -0.05 0.02 0.52 -0.75 4.13 3.87 1dv8A1 VAL 267 HB -0.10 0.01 0.17 -0.04 2.12 2.17 1dv8A1 VAL 267 HG13 -0.15 -0.03 -0.08 -0.04 0.97 0.68 1dv8A1 VAL 267 HG23 -0.68 0.07 0.06 -0.04 0.95 0.36 1dv8A1 CYS 268 H -0.09 0.09 0.30 -0.55 8.50 8.25 1dv8A1 CYS 268 HA -0.37 0.12 0.37 -0.75 4.58 3.95 1dv8A1 CYS 268 HB2 -0.20 0.04 0.15 -0.04 2.97 2.92 1dv8A1 CYS 268 HB3 -0.28 -0.05 0.09 -0.04 2.97 2.69 1dv8A1 GLN 269 H -0.04 0.08 -0.27 -0.55 8.47 7.70 1dv8A1 GLN 269 HA 0.01 -0.01 0.53 -0.75 4.36 4.14 1dv8A1 GLN 269 HB2 -0.02 0.08 0.01 -0.04 2.15 2.18 1dv8A1 GLN 269 HB3 -0.02 -0.01 0.09 -0.04 2.02 2.04 1dv8A1 GLN 269 HG2 -0.06 -0.02 -0.03 -0.04 2.40 2.25 1dv8A1 GLN 269 HG3 -0.05 0.11 0.01 -0.04 2.39 2.42 1dv8A1 GLN 269 HE21 -0.08 -0.00 -0.01 -0.04 6.97 6.83 1dv8A1 GLN 269 HE22 -0.05 0.05 -0.00 -0.04 7.69 7.64 1dv8A1 ARG 270 H 0.14 0.49 -0.30 -0.55 8.46 8.23 1dv8A1 ARG 270 HA -0.05 0.08 0.44 -0.75 4.34 4.06 1dv8A1 ARG 270 HB2 -0.21 0.03 0.00 -0.04 1.90 1.68 1dv8A1 ARG 270 HB3 -0.55 0.08 -0.08 -0.04 1.80 1.21 1dv8A1 ARG 270 HG2 -0.09 0.03 0.01 -0.04 1.67 1.57 1dv8A1 ARG 270 HG3 -0.05 -0.08 0.07 -0.04 1.67 1.57 1dv8A1 ARG 270 HD2 -0.12 -0.03 -0.03 -0.04 3.22 3.00 1dv8A1 ARG 270 HD3 -0.13 0.07 -0.02 -0.04 3.22 3.09 1dv8A1 PRO 271 HA 0.21 0.17 0.21 -0.51 4.44 4.52 1dv8A1 PRO 271 HB2 0.09 0.00 -0.19 -0.04 2.28 2.14 1dv8A1 PRO 271 HB3 0.07 -0.01 -0.13 -0.04 2.02 1.90 1dv8A1 PRO 271 HG2 -0.01 0.02 0.14 -0.04 2.03 2.14 1dv8A1 PRO 271 HG3 0.02 0.03 0.05 -0.04 2.03 2.08 1dv8A1 PRO 271 HD2 -0.08 0.04 0.20 -0.04 3.68 3.80 1dv8A1 PRO 271 HD3 -0.00 0.22 0.16 -0.04 3.65 3.98 1dv8A1 TYR 272 H 0.37 0.53 0.25 -0.55 8.29 8.88 1dv8A1 TYR 272 HA -0.11 0.18 0.78 -0.75 4.56 4.66 1dv8A1 TYR 272 HB2 -1.52 -0.06 -0.02 -0.04 3.06 1.42 1dv8A1 TYR 272 HB3 -0.51 0.19 0.04 -0.04 2.98 2.66 1dv8A1 TYR 272 HD2 -1.66 0.04 -0.08 -0.04 7.15 5.41 1dv8A1 TYR 272 HE2 -0.60 -0.04 -0.12 -0.04 6.85 6.04 1dv8A1 ARG 273 H 0.06 0.32 0.18 -0.55 8.46 8.48 1dv8A1 ARG 273 HA 0.22 0.31 0.68 -0.75 4.34 4.80 1dv8A1 ARG 273 HB2 -0.03 0.06 0.03 -0.04 1.90 1.92 1dv8A1 ARG 273 HB3 -0.18 0.09 0.05 -0.04 1.80 1.73 1dv8A1 ARG 273 HG2 -0.06 -0.01 -0.36 -0.04 1.67 1.19 1dv8A1 ARG 273 HG3 -0.01 -0.07 -0.14 -0.04 1.67 1.41 1dv8A1 ARG 273 HD2 -0.10 0.03 -0.07 -0.04 3.22 3.03 1dv8A1 ARG 273 HD3 -0.19 0.29 -0.01 -0.04 3.22 3.27 1dv8A1 TRP 274 H -0.41 0.16 0.27 -0.55 7.97 7.45 1dv8A1 TRP 274 HA 0.24 0.25 0.83 -0.75 4.62 5.19 1dv8A1 TRP 274 HB2 0.19 -0.01 0.09 -0.04 3.23 3.46 1dv8A1 TRP 274 HB3 0.33 0.02 -0.18 -0.04 3.23 3.36 1dv8A1 TRP 274 HD1 0.16 0.00 -0.33 -0.04 7.22 7.01 1dv8A1 TRP 274 HE1 0.30 0.02 -0.14 -0.04 10.20 10.33 1dv8A1 TRP 274 HE3 0.15 0.11 0.08 -0.04 7.59 7.90 1dv8A1 TRP 274 HZ2 -1.05 0.03 -0.09 -0.04 7.44 6.28 1dv8A1 TRP 274 HZ3 0.03 -0.01 -0.41 -0.04 7.13 6.70 1dv8A1 TRP 274 HH2 -0.14 -0.00 -0.16 -0.04 7.19 6.85 1dv8A1 VAL 275 H 0.41 0.29 0.25 -0.55 8.24 8.63 1dv8A1 VAL 275 HA -0.23 0.35 1.18 -0.75 4.13 4.68 1dv8A1 VAL 275 HB 0.18 -0.13 0.17 -0.04 2.12 2.30 1dv8A1 VAL 275 HG13 -0.40 0.02 -0.13 -0.04 0.97 0.42 1dv8A1 VAL 275 HG23 0.06 0.01 -0.17 -0.04 0.95 0.81 1dv8A1 CYS 276 H -0.03 0.58 0.37 -0.55 8.50 8.87 1dv8A1 CYS 276 HA 0.19 0.13 0.87 -0.75 4.58 5.02 1dv8A1 CYS 276 HB2 -0.10 -0.01 0.05 -0.04 2.97 2.87 1dv8A1 CYS 276 HB3 0.25 0.05 -0.01 -0.04 2.97 3.22 1dv8A1 GLU 277 H -0.07 0.65 0.34 -0.55 8.60 8.97 1dv8A1 GLU 277 HA -0.09 0.48 1.06 -0.75 4.29 5.00 1dv8A1 GLU 277 HB2 -0.18 -0.02 -0.04 -0.04 2.09 1.81 1dv8A1 GLU 277 HB3 -0.11 -0.02 -0.03 -0.04 1.99 1.79 1dv8A1 GLU 277 HG2 -0.23 -0.04 -0.36 -0.04 2.34 1.67 1dv8A1 GLU 277 HG3 -0.49 0.08 0.02 -0.04 2.34 1.92 1dv8A1 THR 278 H -0.17 0.57 0.38 -0.55 8.28 8.50 1dv8A1 THR 278 HA -0.16 0.08 0.73 -0.75 4.39 4.28 1dv8A1 THR 278 HB -0.14 0.03 -0.12 -0.04 4.32 4.05 1dv8A1 THR 278 HG23 -0.24 -0.00 -0.09 -0.04 1.22 0.84 1dv8A1 GLU 279 H -0.02 0.16 0.19 -0.55 8.60 8.39 1dv8A1 GLU 279 HA -0.06 0.15 1.04 -0.75 4.29 4.67 1dv8A1 GLU 279 HB2 0.01 0.02 0.11 -0.04 2.09 2.19 1dv8A1 GLU 279 HB3 -0.01 -0.01 0.10 -0.04 1.99 2.03 1dv8A1 GLU 279 HG2 0.01 -0.00 0.02 -0.04 2.34 2.33 1dv8A1 GLU 279 HG3 -0.01 0.01 -0.04 -0.04 2.34 2.27 1dv8A1 LEU 280 H -0.03 0.74 0.32 -0.55 8.37 8.85 1dv8A1 LEU 280 HA -0.05 0.18 0.48 -0.75 4.35 4.21 1dv8A1 LEU 280 HB2 -0.03 0.00 0.17 -0.04 1.64 1.75 1dv8A1 LEU 280 HB3 -0.03 -0.02 0.07 -0.04 1.64 1.62 1dv8A1 LEU 280 HG -0.03 0.04 -0.25 -0.04 1.64 1.36 1dv8A1 LEU 280 HD13 -0.01 -0.04 -0.06 -0.04 0.93 0.77 1dv8A1 LEU 280 HD23 -0.05 0.03 -0.12 -0.04 0.89 0.72